A0A077ZND5_TRITR Loading...

cyclic-guanylate-specific phosphodiesterase

AlphaFold DB , UniProt , Accession A0A077ZND5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 507 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
1M53.1Low79.7Confident195 Ų19588.3 Ų88.396%0.96144%0.443SS*.  0-46.20-70.9-179.177.200113.4N3 T4 L5M1-N3 VanDerWaalsContact C-N 3.31Å; M1-N3 PolarHBondContact O-N 3.27Å; M1-T4 PolarHBondContact O-N 3.42Å; M1-T4 PolarHBondContact O-OG1 3.16Å; M1-L5 PolarHBondContact O-N 2.96Å
2R58.1Low80.9Confident201 Ų20188.5 Ų88.576%0.75845%0.445SS*.Hα-helixtrans-60.6-35.1-178.3-159171.971.4-174.43.1114.1T4R2-T4 PolarHBondContact O-N 2.81Å
3N68.4Low82.1Confident69 Ų6987.7 Ų87.737%0.36945%0.451SS..Hα-helixtrans-71.6-24.1-177.9-68.212.9000114.3M1 P7 F243M1-N3 VanDerWaalsContact C-N 3.31Å; M1-N3 PolarHBondContact O-N 3.27Å; N3-P7 WeakPolarHBondContact O-CD 3.35Å; N3-P7 WeakPolarHBondContact O-CG 3.44Å; N3-F243 HydrophobicContact CB-CB 4.28Å
4T74Confident83Confident65 Ų6587.1 Ų87.140%0.39945%0.448SS..Hα-helixtrans-89.7-27.118052.40000112.8M1 R2 P7 I8M1-T4 PolarHBondContact O-N 3.42Å; M1-T4 PolarHBondContact O-OG1 3.16Å; R2-T4 PolarHBondContact O-N 2.81Å; T4-P7 WeakPolarHBondContact O-CD 3.18Å; T4-I8 WeakPolarHBondContact O-CD1 3.25Å; T4-I8 WeakPolarHBondContact O-CG1 3.35Å
5L84Confident83.9Confident95 Ų9585.5 Ų85.550%0.49744%0.437SS..Hα-helixtrans-69-37.6177.9-87.1151000112.8M1 I8 L9M1-L5 PolarHBondContact O-N 2.96Å; L5-I8 PolarHBondContact O-N 2.92Å; L5-L9 WeakPolarHBondContact O-CB 3.47Å; L5-L9 WeakPolarHBondContact O-CG 3.38Å; L5-L9 PolarHBondContact O-N 3.15Å
6I85.2Confident84.6Confident67 Ų6786.8 Ų86.834%0.34444%0.444SS..Hα-helixtrans-62.5-52.1-177.3-65.2166.9000111.6I8 L9 V10 F243I6-I8 VanDerWaalsContact C-N 3.28Å; I6-I8 PolarHBondContact O-N 3.18Å; I6-L9 PolarHBondContact O-N 3.11Å; I6-V10 HydrophobicContact CG2-CG2 4.49Å; I6-V10 WeakPolarHBondContact O-CG2 3.32Å; I6-V10 PolarHBondContact O-N 2.85Å; I6-F243 HydrophobicContact CG2-CE2 4.12Å
7P87.2Confident85.2Confident3 Ų385.8 Ų85.82%0.01944%0.443CS..Hα-helixtrans-55.5-41176.1-25.732.2000113.6N3 T4 V10 A11 A236 L239 D240 F243N3-P7 WeakPolarHBondContact O-CD 3.35Å; N3-P7 WeakPolarHBondContact O-CG 3.44Å; T4-P7 WeakPolarHBondContact O-CD 3.18Å; P7-V10 PolarHBondContact O-N 3.22Å; P7-A11 PolarHBondContact O-N 3.17Å; P7-A236 HydrophobicContact CB-CB 4.24Å; P7-A236 WeakPolarHBondContact CB-O 3.44Å; P7-L239 HydrophobicContact CB-CB 4Å; P7-L239 HydrophobicContact CG-CB 4.01Å; P7-D240 HydrophobicContact CB-CB 4.41Å; P7-D240 HydrophobicContact CG-CB 4.15Å; P7-F243 HydrophobicContact CG-CD2 4.31Å
8I89.8Confident85.8Confident95 Ų9582 Ų8249%0.48743%0.428SS..Hα-helixtrans-65.5-47.1-179.9-64.8170.3000110.6T4 L5 I6 V10 A11 I12T4-I8 WeakPolarHBondContact O-CD1 3.25Å; T4-I8 WeakPolarHBondContact O-CG1 3.35Å; L5-I8 PolarHBondContact O-N 2.92Å; I6-I8 VanDerWaalsContact C-N 3.28Å; I6-I8 PolarHBondContact O-N 3.18Å; I8-V10 VanDerWaalsContact C-N 3.31Å; I8-V10 PolarHBondContact O-N 2.84Å; I8-A11 PolarHBondContact O-N 3.04Å; I8-I12 HydrophobicContact CG2-CD1 3.9Å; I8-I12 WeakPolarHBondContact O-CG1 3.46Å; I8-I12 PolarHBondContact O-N 3.17Å
9L92.3Very high86.3Confident111 Ų11179.1 Ų79.158%0.58141%0.414SS*.Hα-helixtrans-59.9-42.3177.8-81.1160.5000111.8L5 I6 I12 C13L5-L9 WeakPolarHBondContact O-CB 3.47Å; L5-L9 WeakPolarHBondContact O-CG 3.38Å; L5-L9 PolarHBondContact O-N 3.15Å; I6-L9 PolarHBondContact O-N 3.11Å; L9-I12 PolarHBondContact O-N 2.59Å; L9-C13 WeakPolarHBondContact O-CB 3.22Å; L9-C13 PolarHBondContact O-N 2.79Å
10V91.2Very high86.8Confident56 Ų5677.6 Ų77.634%0.33941%0.414SS..Hα-helixtrans-63.2-44.9176.61730000111I6 P7 I8 I12 C13 L14 L239I6-V10 HydrophobicContact CG2-CG2 4.49Å; I6-V10 WeakPolarHBondContact O-CG2 3.32Å; I6-V10 PolarHBondContact O-N 2.85Å; P7-V10 PolarHBondContact O-N 3.22Å; I8-V10 VanDerWaalsContact C-N 3.31Å; I8-V10 PolarHBondContact O-N 2.84Å; V10-I12 PolarHBondContact O-N 3.16Å; V10-C13 PolarHBondContact O-N 2.96Å; V10-L14 HydrophobicContact CG1-CD1 3.92Å; V10-L14 HydrophobicContact CG1-CG 4.36Å; V10-L14 WeakPolarHBondContact O-CB 3.4Å; V10-L14 WeakPolarHBondContact O-CG 3.39Å; V10-L14 PolarHBondContact O-N 3.35Å; V10-L239 HydrophobicContact CB-CD1 3.98Å; V10-L239 HydrophobicContact CG1-CD1 3.79Å; V10-L239 HydrophobicContact CG2-CD1 4.17Å
11A93.6Very high87.2Confident14 Ų1478.8 Ų78.812%0.11642%0.419CS..Hα-helixtrans-61.8-43.2177.300000112.8P7 I8 C13 L14 F15 A232 A236P7-A11 PolarHBondContact O-N 3.17Å; I8-A11 PolarHBondContact O-N 3.04Å; A11-C13 VanDerWaalsContact C-N 3.35Å; A11-C13 PolarHBondContact O-N 3.47Å; A11-L14 PolarHBondContact O-N 3.23Å; A11-F15 WeakPolarHBondContact O-CB 3.38Å; A11-F15 PolarHBondContact O-N 3.48Å; A11-A232 HydrophobicContact CB-CB 4.25Å; A11-A232 VanDerWaalsContact CB-O 3.32Å; A11-A232 WeakPolarHBondContact CB-O 3.33Å; A11-A232 WeakPolarHBondContact O-CB 3.36Å; A11-A236 HydrophobicContact CB-CB 3.76Å
12I94.4Very high89.2Confident91 Ų9169.8 Ų69.847%0.46738%0.375SS..Hα-helixtrans-61.6-45.4176.5-67.9168.8000110.4I8 L9 V10 L14 F15 I16I8-I12 HydrophobicContact CG2-CD1 3.9Å; I8-I12 WeakPolarHBondContact O-CG1 3.46Å; I8-I12 PolarHBondContact O-N 3.17Å; L9-I12 PolarHBondContact O-N 2.59Å; V10-I12 PolarHBondContact O-N 3.16Å; I12-L14 PolarHBondContact O-N 3.12Å; I12-F15 PolarHBondContact O-N 3.41Å; I12-I16 HydrophobicContact CG2-CD1 3.69Å; I12-I16 HydrophobicContact CG2-CG1 4.37Å; I12-I16 WeakPolarHBondContact O-CG1 3.46Å; I12-I16 PolarHBondContact O-N 3.5Å
13C95.6Very high91.1Very high78 Ų7861.1 Ų61.153%0.52734%0.344SS..Hα-helixtrans-62.3-43.8179.2-167.90000111.9L9 V10 A11 T17L9-C13 WeakPolarHBondContact O-CB 3.22Å; L9-C13 PolarHBondContact O-N 2.79Å; V10-C13 PolarHBondContact O-N 2.96Å; A11-C13 VanDerWaalsContact C-N 3.35Å; A11-C13 PolarHBondContact O-N 3.47Å; C13-T17 VanDerWaalsContact O-CB 3.32Å; C13-T17 WeakPolarHBondContact O-CB 3.42Å; C13-T17 PolarHBondContact O-N 3.46Å; C13-T17 PolarHBondContact O-OG1 3.41Å
14L94.7Very high92.4Very high79 Ų7962.2 Ų62.241%0.41435%0.348SS..Hα-helixtrans-62.1-43.6175.9-75.1172.1000111.6V10 A11 I12 G18 A232 A235V10-L14 HydrophobicContact CG1-CD1 3.92Å; V10-L14 HydrophobicContact CG1-CG 4.36Å; V10-L14 WeakPolarHBondContact O-CB 3.4Å; V10-L14 WeakPolarHBondContact O-CG 3.39Å; V10-L14 PolarHBondContact O-N 3.35Å; A11-L14 PolarHBondContact O-N 3.23Å; I12-L14 PolarHBondContact O-N 3.12Å; L14-G18 PolarHBondContact O-N 2.9Å; L14-A232 HydrophobicContact CB-CB 4.39Å; L14-A235 HydrophobicContact CD1-CB 3.81Å
15F96.2Very high93.4Very high64 Ų6465 Ų6528%0.28136%0.357SS..Hα-helixtrans-63.9-49.7179.3-177-101.3000112A11 I12 T17 G18 V19 I228 L229 A232A11-F15 WeakPolarHBondContact O-CB 3.38Å; A11-F15 PolarHBondContact O-N 3.48Å; I12-F15 PolarHBondContact O-N 3.41Å; F15-T17 VanDerWaalsContact C-N 3.33Å; F15-T17 PolarHBondContact O-N 2.94Å; F15-G18 PolarHBondContact O-N 3.39Å; F15-V19 HydrophobicContact CD1-CG2 4.28Å; F15-V19 HydrophobicContact CD2-CG2 4.44Å; F15-V19 HydrophobicContact CE1-CG2 3.88Å; F15-V19 HydrophobicContact CE2-CG2 4.04Å; F15-V19 HydrophobicContact CZ-CG2 3.75Å; F15-V19 VanDerWaalsContact O-CG2 3.32Å; F15-V19 WeakPolarHBondContact O-CG2 3.45Å; F15-V19 PolarHBondContact O-N 2.97Å; F15-I228 HydrophobicContact CD2-CG2 3.84Å; F15-I228 HydrophobicContact CE2-CG2 4.39Å; F15-L229 HydrophobicContact CD2-CB 4.17Å; F15-L229 HydrophobicContact CD2-CD1 4.02Å; F15-L229 HydrophobicContact CE2-CB 3.89Å; F15-L229 HydrophobicContact CE2-CD1 4.03Å; F15-A232 HydrophobicContact CB-CB 4.16Å
16I95.5Very high94Very high105 Ų10561.6 Ų61.654%0.53834%0.339SS..Hα-helixtrans-60.1-45.4179-68.7171.7000110.7I12 V19 A20I12-I16 HydrophobicContact CG2-CD1 3.69Å; I12-I16 HydrophobicContact CG2-CG1 4.37Å; I12-I16 WeakPolarHBondContact O-CG1 3.46Å; I12-I16 PolarHBondContact O-N 3.5Å; I16-V19 PolarHBondContact O-N 3.45Å; I16-A20 WeakPolarHBondContact O-CB 3.48Å; I16-A20 PolarHBondContact O-N 3.39Å
17T95.7Very high94.5Very high71 Ų7160.7 Ų60.744%0.43633%0.331SS..Hα-helixtrans-63.2-45.2179.8-53.80000110.9C13 F15 V19 A20 I21C13-T17 VanDerWaalsContact O-CB 3.32Å; C13-T17 WeakPolarHBondContact O-CB 3.42Å; C13-T17 PolarHBondContact O-N 3.46Å; C13-T17 PolarHBondContact O-OG1 3.41Å; F15-T17 VanDerWaalsContact C-N 3.33Å; F15-T17 PolarHBondContact O-N 2.94Å; T17-V19 PolarHBondContact O-N 3.13Å; T17-A20 PolarHBondContact O-N 2.92Å; T17-I21 HydrophobicContact CG2-CD1 4.1Å; T17-I21 WeakPolarHBondContact O-CG1 3.26Å; T17-I21 PolarHBondContact O-N 2.98Å
18G95.7Very high94.9Very high17 Ų1767.7 Ų67.718%0.17536%0.358CS..Hα-helixtrans-60.9-44.2176.700000112.7L14 F15 A20 I21 L22L14-G18 PolarHBondContact O-N 2.9Å; F15-G18 PolarHBondContact O-N 3.39Å; G18-A20 PolarHBondContact O-N 2.96Å; G18-I21 PolarHBondContact O-N 3.24Å; G18-L22 WeakPolarHBondContact O-CB 3.38Å; G18-L22 PolarHBondContact O-N 3.2Å
19V95.8Very high95.1Very high26 Ų2666 Ų6616%0.15836%0.355CS..Hα-helixtrans-65-38.7177.6171.10000111.6F15 I16 T17 L22 N23 L217 L225F15-V19 HydrophobicContact CD1-CG2 4.28Å; F15-V19 HydrophobicContact CD2-CG2 4.44Å; F15-V19 HydrophobicContact CE1-CG2 3.88Å; F15-V19 HydrophobicContact CE2-CG2 4.04Å; F15-V19 HydrophobicContact CZ-CG2 3.75Å; F15-V19 VanDerWaalsContact O-CG2 3.32Å; F15-V19 WeakPolarHBondContact O-CG2 3.45Å; F15-V19 PolarHBondContact O-N 2.97Å; I16-V19 PolarHBondContact O-N 3.45Å; T17-V19 PolarHBondContact O-N 3.13Å; V19-L22 PolarHBondContact O-N 3.11Å; V19-N23 WeakPolarHBondContact O-CB 3.43Å; V19-N23 PolarHBondContact O-N 2.9Å; V19-L217 HydrophobicContact CG1-CD2 3.87Å; V19-L225 HydrophobicContact CG2-CD1 4.09Å
20A95.5Very high95.3Very high49 Ų4961.1 Ų61.141%0.40533%0.331SS..Hα-helixtrans-62.7-46.3176.300000111.8I16 T17 G18 N23 I24I16-A20 WeakPolarHBondContact O-CB 3.48Å; I16-A20 PolarHBondContact O-N 3.39Å; T17-A20 PolarHBondContact O-N 2.92Å; G18-A20 PolarHBondContact O-N 2.96Å; A20-N23 PolarHBondContact O-N 3.22Å; A20-I24 WeakPolarHBondContact O-CG1 3.41Å; A20-I24 PolarHBondContact O-N 3.36Å
21I95.6Very high95.4Very high104 Ų10461.9 Ų61.953%0.53333%0.33SS..Hα-helixtrans-60.6-47.4176.4-66.9166.9000110.4T17 G18 N23 I24 Q25T17-I21 HydrophobicContact CG2-CD1 4.1Å; T17-I21 WeakPolarHBondContact O-CG1 3.26Å; T17-I21 PolarHBondContact O-N 2.98Å; G18-I21 PolarHBondContact O-N 3.24Å; I21-N23 VanDerWaalsContact C-N 3.35Å; I21-N23 PolarHBondContact O-N 3.45Å; I21-I24 PolarHBondContact O-N 3.45Å; I21-Q25 PolarHBondContact O-N 2.71Å
22L95.6Very high95.5Very high5 Ų564.2 Ų64.23%0.02635%0.349CS..Hα-helixtrans-58.4-45.4177.3177.361000111.7G18 V19 I24 Q25 L26 L217 I224 L225 I228G18-L22 WeakPolarHBondContact O-CB 3.38Å; G18-L22 PolarHBondContact O-N 3.2Å; V19-L22 PolarHBondContact O-N 3.11Å; L22-I24 VanDerWaalsContact C-N 3.35Å; L22-I24 PolarHBondContact O-N 2.98Å; L22-Q25 PolarHBondContact O-N 2.95Å; L22-L26 HydrophobicContact CD1-CD1 4.14Å; L22-L26 HydrophobicContact CD1-CG 4.17Å; L22-L26 HydrophobicContact CG-CD1 4.13Å; L22-L26 WeakPolarHBondContact O-CB 3.3Å; L22-L26 WeakPolarHBondContact O-CG 3.44Å; L22-L26 PolarHBondContact O-N 2.98Å; L22-L217 HydrophobicContact CB-CD1 4.42Å; L22-L217 HydrophobicContact CD2-CD1 3.76Å; L22-L217 HydrophobicContact CG-CD1 3.83Å; L22-I224 HydrophobicContact CD1-CB 4.11Å; L22-I224 HydrophobicContact CD1-CD1 3.9Å; L22-I224 HydrophobicContact CD1-CG2 3.92Å; L22-I224 HydrophobicContact CD2-CB 4.15Å; L22-I224 HydrophobicContact CD2-CG2 4.04Å; L22-I224 HydrophobicContact CG-CG2 4.47Å; L22-L225 HydrophobicContact CD2-CB 4.43Å; L22-I228 HydrophobicContact CB-CD1 4.35Å; L22-I228 HydrophobicContact CD2-CD1 4.29Å
23N96.4Very high95.6Very high20 Ų2064.2 Ų64.211%0.10735%0.347CS..Hα-helixtrans-62.1-41.9178.6178.170000112.2V19 A20 I21 L26 W27 L211 L217V19-N23 WeakPolarHBondContact O-CB 3.43Å; V19-N23 PolarHBondContact O-N 2.9Å; A20-N23 PolarHBondContact O-N 3.22Å; I21-N23 VanDerWaalsContact C-N 3.35Å; I21-N23 PolarHBondContact O-N 3.45Å; N23-L26 PolarHBondContact O-N 3.4Å; N23-W27 WeakPolarHBondContact O-CB 3.28Å; N23-W27 PolarHBondContact O-N 3.16Å; N23-L211 PolarHBondContact ND2-O 3.15Å; N23-L211 PolarHBondContact OD1-O 2.86Å; N23-L217 HydrophobicContact CB-CD1 4.26Å
24I96.2Very high95.6Very high91 Ų9161.5 Ų61.547%0.46733%0.325SS..Hα-helixtrans-62.8-45.4176.9-70167.4000110.5A20 I21 L22 L26 W27 Y28A20-I24 WeakPolarHBondContact O-CG1 3.41Å; A20-I24 PolarHBondContact O-N 3.36Å; I21-I24 PolarHBondContact O-N 3.45Å; L22-I24 VanDerWaalsContact C-N 3.35Å; L22-I24 PolarHBondContact O-N 2.98Å; I24-L26 PolarHBondContact O-N 3.39Å; I24-W27 WeakPolarHBondContact O-CB 3.22Å; I24-W27 PolarHBondContact O-N 3.31Å; I24-W27 VanDerWaalsContact O-N 3.16Å; I24-Y28 HydrophobicContact CG2-CD2 3.77Å; I24-Y28 HydrophobicContact CG2-CE2 3.57Å; I24-Y28 VanDerWaalsContact O-CD2 3.29Å; I24-Y28 WeakPolarHBondContact O-CD2 3.4Å; I24-Y28 PolarHBondContact O-N 3.48Å
25Q95.6Very high95.7Very high124 Ų12460.5 Ų60.558%0.57932%0.32SS*.Hα-helixtrans-61.2-45178-173.9-179.9-4.300111.8I21 L22 W27 Y28 S29I21-Q25 PolarHBondContact O-N 2.71Å; L22-Q25 PolarHBondContact O-N 2.95Å; Q25-W27 VanDerWaalsContact C-N 3.27Å; Q25-W27 PolarHBondContact O-N 2.97Å; Q25-Y28 PolarHBondContact O-N 2.59Å; Q25-S29 PolarHBondContact O-N 3.09Å
26L95.7Very high95.7Very high24 Ų2460.2 Ų60.213%0.12633%0.33CS..Hα-helixtrans-64.9-32.2175.9-70.7176.6000112.4L22 N23 I24 A30 R216 L217 K220L22-L26 HydrophobicContact CD1-CD1 4.14Å; L22-L26 HydrophobicContact CD1-CG 4.17Å; L22-L26 HydrophobicContact CG-CD1 4.13Å; L22-L26 WeakPolarHBondContact O-CB 3.3Å; L22-L26 WeakPolarHBondContact O-CG 3.44Å; L22-L26 PolarHBondContact O-N 2.98Å; N23-L26 PolarHBondContact O-N 3.4Å; I24-L26 PolarHBondContact O-N 3.39Å; L26-A30 WeakPolarHBondContact O-CB 3.23Å; L26-A30 PolarHBondContact O-N 3.17Å; L26-R216 HydrophobicContact CB-CG 4.31Å; L26-R216 HydrophobicContact CD1-CG 4.49Å; L26-L217 HydrophobicContact CD1-CD1 4.07Å; L26-K220 HydrophobicContact CD1-CB 4.4Å; L26-K220 HydrophobicContact CD2-CB 3.68Å
27W95.6Very high95.8Very high47 Ų4755.4 Ų55.418%0.17831%0.306CS..Hα-helixtrans-66.1-45.9173.5178.879.6000112N23 I24 Q25 S29 A30 K31 P209 P210 L211N23-W27 WeakPolarHBondContact O-CB 3.28Å; N23-W27 PolarHBondContact O-N 3.16Å; I24-W27 WeakPolarHBondContact O-CB 3.22Å; I24-W27 PolarHBondContact O-N 3.31Å; I24-W27 VanDerWaalsContact O-N 3.16Å; Q25-W27 VanDerWaalsContact C-N 3.27Å; Q25-W27 PolarHBondContact O-N 2.97Å; W27-S29 VanDerWaalsContact C-N 3.33Å; W27-S29 PolarHBondContact O-N 3.31Å; W27-A30 PolarHBondContact O-N 3.04Å; W27-K31 HydrophobicContact CH2-CD 3.96Å; W27-K31 HydrophobicContact CZ2-CD 4.15Å; W27-K31 HydrophobicContact CZ3-CD 4.48Å; W27-K31 WeakPolarHBondContact O-CB 3.4Å; W27-K31 PolarHBondContact O-N 3.41Å; W27-P209 PolarHBondContact NE1-O 2.81Å; W27-P209 VanDerWaalsContact NE1-O 3.08Å; W27-P210 VanDerWaalsContact CD1-O 3.28Å; W27-L211 HydrophobicContact CD2-CD2 4.17Å; W27-L211 HydrophobicContact CG-CD2 4.44Å; W27-L211 HydrophobicContact CZ2-CD2 4.12Å
28Y95.9Very high95.9Very high150 Ų15052 Ų5259%0.58829%0.285SS*.Hα-helixtrans-60.3-42.7174.5-82.2-68000112.2I24 Q25 K31 A32I24-Y28 HydrophobicContact CG2-CD2 3.77Å; I24-Y28 HydrophobicContact CG2-CE2 3.57Å; I24-Y28 VanDerWaalsContact O-CD2 3.29Å; I24-Y28 WeakPolarHBondContact O-CD2 3.4Å; I24-Y28 PolarHBondContact O-N 3.48Å; Q25-Y28 PolarHBondContact O-N 2.59Å; Y28-K31 PolarHBondContact O-N 3.45Å; Y28-A32 PolarHBondContact O-N 2.92Å
29S95.2Very high96Very high59 Ų5958.2 Ų58.241%0.41330%0.303SS..Hα-helixtrans-59.5-48.5175.6-165.40000111.5Q25 W27 K31 A32 E33Q25-S29 PolarHBondContact O-N 3.09Å; W27-S29 VanDerWaalsContact C-N 3.33Å; W27-S29 PolarHBondContact O-N 3.31Å; S29-K31 VanDerWaalsContact C-N 3.3Å; S29-K31 PolarHBondContact O-N 3.06Å; S29-A32 PolarHBondContact O-N 2.69Å; S29-E33 PolarHBondContact O-N 2.97Å
30A94.7Very high96Very high9 Ų963.3 Ų63.37%0.07432%0.321CS..Hα-helixtrans-62.7-37.7177.900000112.2L26 W27 A32 E33 Y34 P209L26-A30 WeakPolarHBondContact O-CB 3.23Å; L26-A30 PolarHBondContact O-N 3.17Å; W27-A30 PolarHBondContact O-N 3.04Å; A30-A32 VanDerWaalsContact C-N 3.35Å; A30-E33 PolarHBondContact O-N 3.35Å; A30-Y34 WeakPolarHBondContact O-CB 3.31Å; A30-Y34 WeakPolarHBondContact O-CD1 3.37Å; A30-Y34 PolarHBondContact O-N 3.25Å; A30-P209 HydrophobicContact CB-CB 3.87Å; A30-P209 HydrophobicContact CB-CG 4.02Å
31K94.8Very high96Very high73 Ų7361 Ų6132%0.31730%0.302SS..Hα-helixtrans-63.8-42.3176.7-173.5171.1-175.6162.30111W27 Y28 S29 L35 E193 P209W27-K31 HydrophobicContact CH2-CD 3.96Å; W27-K31 HydrophobicContact CZ2-CD 4.15Å; W27-K31 HydrophobicContact CZ3-CD 4.48Å; W27-K31 WeakPolarHBondContact O-CB 3.4Å; W27-K31 PolarHBondContact O-N 3.41Å; Y28-K31 PolarHBondContact O-N 3.45Å; S29-K31 VanDerWaalsContact C-N 3.3Å; S29-K31 PolarHBondContact O-N 3.06Å; K31-L35 WeakPolarHBondContact O-CB 3.48Å; K31-L35 PolarHBondContact O-N 3.49Å; K31-E193 VanDerWaalsContact CE-OE1 3.31Å; K31-E193 WeakPolarHBondContact CE-OE1 3.44Å; K31-E193 IonicContact NZ-OE1 2.81Å; K31-E193 PolarHBondContact NZ-OE1 3.04Å; K31-P209 HydrophobicContact CB-CG 4.13Å
32A96Very high96.1Very high62 Ų6256.2 Ų56.251%0.51228%0.277SS..Hα-helixtrans-64.8-43.6176.300000112.1Y28 S29 A30 L35 A36Y28-A32 PolarHBondContact O-N 2.92Å; S29-A32 PolarHBondContact O-N 2.69Å; A30-A32 VanDerWaalsContact C-N 3.35Å; A32-L35 PolarHBondContact O-N 2.68Å; A32-A36 WeakPolarHBondContact O-CB 3.28Å; A32-A36 PolarHBondContact O-N 3.34Å
33E95.6Very high96.2Very high91 Ų9160 Ų6043%0.42530%0.298SS..Hα-helixtrans-61.1-45.3176.2-75.9175.4-161.300112.3S29 A30 L35 A36 G37 L162S29-E33 PolarHBondContact O-N 2.97Å; A30-E33 PolarHBondContact O-N 3.35Å; E33-L35 VanDerWaalsContact C-N 3.35Å; E33-L35 PolarHBondContact O-N 2.93Å; E33-A36 PolarHBondContact O-N 3.25Å; E33-G37 PolarHBondContact O-N 2.81Å; E33-L162 WeakPolarHBondContact O-CD1 3.42Å
34Y96.1Very high96.1Very high21 Ų2161 Ų618%0.08230%0.303CS..Hα-helixtrans-65.2-39.5179.2-72.910.8000111.5A30 G37 A38 K163 V165 Y167 N207 P209A30-Y34 WeakPolarHBondContact O-CB 3.31Å; A30-Y34 WeakPolarHBondContact O-CD1 3.37Å; A30-Y34 PolarHBondContact O-N 3.25Å; Y34-G37 PolarHBondContact O-N 3.01Å; Y34-A38 PolarHBondContact O-N 3.05Å; Y34-K163 PolarHBondContact OH-O 3.28Å; Y34-V165 HydrophobicContact CD1-CB 3.94Å; Y34-V165 HydrophobicContact CD1-CG1 3.89Å; Y34-V165 HydrophobicContact CD1-CG2 4.42Å; Y34-V165 HydrophobicContact CD2-CB 3.75Å; Y34-V165 HydrophobicContact CD2-CG2 3.82Å; Y34-V165 HydrophobicContact CE1-CB 3.83Å; Y34-V165 HydrophobicContact CE1-CG1 3.82Å; Y34-V165 HydrophobicContact CE2-CB 3.66Å; Y34-V165 HydrophobicContact CE2-CG2 4.2Å; Y34-V165 HydrophobicContact CG-CB 3.9Å; Y34-V165 HydrophobicContact CG-CG1 4.28Å; Y34-V165 HydrophobicContact CG-CG2 3.95Å; Y34-Y167 WeakPolarHBondContact O-CE1 3.38Å; Y34-Y167 PolarHBondContact O-OH 3.27Å; Y34-Y167 VanDerWaalsContact O-OH 3.06Å; Y34-N207 WeakPolarHBondContact CD2-O 3.37Å; Y34-P209 HydrophobicContact CD2-CB 4.07Å; Y34-P209 HydrophobicContact CD2-CG 4.18Å; Y34-P209 HydrophobicContact CE2-CB 3.65Å; Y34-P209 HydrophobicContact CE2-CG 4.27Å
35L96.5Very high96.2Very high58 Ų5856.8 Ų56.830%0.30428%0.281SS..Hα-helixtrans-65.1-40.9174.7-179.162.9000112K31 A32 E33 G37 A38 R39 V195 F206K31-L35 WeakPolarHBondContact O-CB 3.48Å; K31-L35 PolarHBondContact O-N 3.49Å; A32-L35 PolarHBondContact O-N 2.68Å; E33-L35 VanDerWaalsContact C-N 3.35Å; E33-L35 PolarHBondContact O-N 2.93Å; L35-G37 VanDerWaalsContact C-N 3.34Å; L35-A38 PolarHBondContact O-N 3.47Å; L35-R39 WeakPolarHBondContact O-CG 3.34Å; L35-R39 PolarHBondContact O-N 3.47Å; L35-V195 HydrophobicContact CD1-CG2 3.57Å; L35-F206 HydrophobicContact CD1-CZ 4.29Å
36A97Very high96.2Very high58 Ų5851.5 Ų51.548%0.47926%0.257SS..Hα-helixtrans-62.8-42.1175.600000111.4A32 E33 R39 Y40A32-A36 WeakPolarHBondContact O-CB 3.28Å; A32-A36 PolarHBondContact O-N 3.34Å; E33-A36 PolarHBondContact O-N 3.25Å; A36-R39 PolarHBondContact O-N 2.76Å; A36-Y40 WeakPolarHBondContact O-CB 3.48Å; A36-Y40 PolarHBondContact O-N 3.31Å
37G97.1Very high96.2Very high4 Ų456.3 Ų56.34%0.04128%0.279CS..Hα-helixtrans-61.7-41.9173.500000113E33 Y34 L35 R39 Y40 A41 Y167E33-G37 PolarHBondContact O-N 2.81Å; Y34-G37 PolarHBondContact O-N 3.01Å; L35-G37 VanDerWaalsContact C-N 3.34Å; G37-R39 PolarHBondContact O-N 3.03Å; G37-Y40 WeakPolarHBondContact O-CB 3.48Å; G37-Y40 PolarHBondContact O-N 3.39Å; G37-A41 PolarHBondContact O-N 2.79Å; G37-Y167 WeakPolarHBondContact CA-OH 3.41Å
38A97.1Very high96.2Very high0 Ų054.4 Ų54.40%027%0.272CS..Hα-helixtrans-62.4-41.6175.600000112.3Y34 L35 A41 A42 Y167 V195 I204 F206Y34-A38 PolarHBondContact O-N 3.05Å; L35-A38 PolarHBondContact O-N 3.47Å; A38-A41 PolarHBondContact O-N 2.97Å; A38-A42 WeakPolarHBondContact O-CB 3.12Å; A38-A42 PolarHBondContact O-N 2.89Å; A38-Y167 HydrophobicContact CB-CD1 3.96Å; A38-Y167 HydrophobicContact CB-CE1 3.7Å; A38-V195 HydrophobicContact CB-CB 4.26Å; A38-V195 HydrophobicContact CB-CG2 3.71Å; A38-I204 HydrophobicContact CB-CG2 4.19Å; A38-F206 HydrophobicContact CB-CD1 3.62Å; A38-F206 HydrophobicContact CB-CE1 3.45Å; A38-F206 VanDerWaalsContact CB-CE1 3.45Å; A38-F206 HydrophobicContact CB-CG 4.37Å; A38-F206 HydrophobicContact CB-CZ 4.05Å
39R97.2Very high96.2Very high147 Ų14747.2 Ų47.256%0.55524%0.244SC*.Hα-helixtrans-64.8-40.9175-72.2174.8178.8169.9-0.6112L35 A36 G37 A42 N43 V195L35-R39 WeakPolarHBondContact O-CG 3.34Å; L35-R39 PolarHBondContact O-N 3.47Å; A36-R39 PolarHBondContact O-N 2.76Å; G37-R39 PolarHBondContact O-N 3.03Å; R39-A42 PolarHBondContact O-N 2.89Å; R39-N43 WeakPolarHBondContact O-CB 3.24Å; R39-N43 VanDerWaalsContact O-CG 3.3Å; R39-N43 PolarHBondContact O-N 2.89Å; R39-V195 HydrophobicContact CG-CG1 4.15Å; R39-V195 HydrophobicContact CG-CG2 4.41Å
40Y96.7Very high96.2Very high134 Ų13447.2 Ų47.253%0.52524%0.237SC..Hα-helixtrans-60.8-47.7175179.9-96.5000111.4A36 G37 A42 N43 N44 V160A36-Y40 WeakPolarHBondContact O-CB 3.48Å; A36-Y40 PolarHBondContact O-N 3.31Å; G37-Y40 WeakPolarHBondContact O-CB 3.48Å; G37-Y40 PolarHBondContact O-N 3.39Å; Y40-A42 PolarHBondContact O-N 3.11Å; Y40-N43 PolarHBondContact O-N 2.88Å; Y40-N44 WeakPolarHBondContact CE1-ND2 3.25Å; Y40-N44 PolarHBondContact O-N 2.94Å; Y40-V160 HydrophobicContact CD1-CG2 3.97Å
41A96.5Very high96.3Very high0 Ų048.5 Ų48.50%024%0.242CC..Hα-helixtrans-60.2-43.7175.100000112.2G37 A38 N43 N44 I45 A157 L158 V160 I204G37-A41 PolarHBondContact O-N 2.79Å; A38-A41 PolarHBondContact O-N 2.97Å; A41-N43 VanDerWaalsContact C-N 3.34Å; A41-N43 PolarHBondContact O-N 3.3Å; A41-N44 PolarHBondContact O-N 3.43Å; A41-I45 WeakPolarHBondContact O-CG1 3.48Å; A41-I45 PolarHBondContact O-N 3.41Å; A41-A157 WeakPolarHBondContact CA-O 3.4Å; A41-L158 HydrophobicContact CB-CD2 4.37Å; A41-V160 HydrophobicContact CB-CG2 4.09Å; A41-I204 HydrophobicContact CB-CG2 4.48Å
42A97.4Very high96.3Very high3 Ų345 Ų453%0.02523%0.227CC..Hα-helixtrans-61.1-41.6176.400000112.1A38 R39 Y40 I45 N46 V195 F202 I204A38-A42 WeakPolarHBondContact O-CB 3.12Å; A38-A42 PolarHBondContact O-N 2.89Å; R39-A42 PolarHBondContact O-N 2.89Å; Y40-A42 PolarHBondContact O-N 3.11Å; A42-I45 PolarHBondContact O-N 2.79Å; A42-N46 WeakPolarHBondContact O-CB 3.38Å; A42-N46 VanDerWaalsContact O-CG 3.23Å; A42-N46 PolarHBondContact O-N 3.11Å; A42-N46 PolarHBondContact O-ND2 3.5Å; A42-V195 HydrophobicContact CB-CG1 4.22Å; A42-F202 HydrophobicContact CB-CE2 4.3Å; A42-I204 HydrophobicContact CB-CG1 3.78Å
43N96.6Very high96.2Very high86 Ų8643.6 Ų43.646%0.4621%0.213SC..Hα-helixtrans-64.7-40.4176.6-74-15.8000112.3R39 Y40 A41 N46 H47R39-N43 WeakPolarHBondContact O-CB 3.24Å; R39-N43 VanDerWaalsContact O-CG 3.3Å; R39-N43 PolarHBondContact O-N 2.89Å; Y40-N43 PolarHBondContact O-N 2.88Å; A41-N43 VanDerWaalsContact C-N 3.34Å; A41-N43 PolarHBondContact O-N 3.3Å; N43-N46 WeakPolarHBondContact O-CB 3.49Å; N43-N46 PolarHBondContact O-N 3.33Å; N43-H47 PolarHBondContact O-CD2 2.87Å; N43-H47 PolarHBondContact O-N 3.33Å
44N95.8Very high96.2Very high41 Ų4143.7 Ų43.722%0.21921%0.213CC..Hα-helixtrans-62.4-44.1175.6-71-20.3000111.9Y40 A41 N46 H47 I48 A157Y40-N44 WeakPolarHBondContact CE1-ND2 3.25Å; Y40-N44 PolarHBondContact O-N 2.94Å; A41-N44 PolarHBondContact O-N 3.43Å; N44-N46 VanDerWaalsContact C-N 3.33Å; N44-N46 PolarHBondContact O-N 2.97Å; N44-H47 PolarHBondContact O-N 2.88Å; N44-I48 WeakPolarHBondContact O-CG1 3.28Å; N44-I48 PolarHBondContact O-N 3.06Å; N44-I48 VanDerWaalsContact O-N 3.09Å; N44-A157 HydrophobicContact CB-CB 3.64Å
45I96.8Very high96.1Very high1 Ų142.7 Ų42.71%0.00521%0.209CC..Hα-helixtrans-63.8-39.7174.8-61.2-65.3000111A41 A42 H47 I48 L49 I154 A157 L169 F202 I204A41-I45 WeakPolarHBondContact O-CG1 3.48Å; A41-I45 PolarHBondContact O-N 3.41Å; A42-I45 PolarHBondContact O-N 2.79Å; I45-H47 VanDerWaalsContact C-N 3.31Å; I45-H47 PolarHBondContact O-N 2.99Å; I45-I48 HydrophobicContact CD1-CD1 4.39Å; I45-I48 PolarHBondContact O-N 3.08Å; I45-L49 HydrophobicContact CG2-CD1 3.99Å; I45-L49 HydrophobicContact CG2-CG 4.33Å; I45-L49 WeakPolarHBondContact O-CG 3.44Å; I45-L49 PolarHBondContact O-N 3.06Å; I45-I154 HydrophobicContact CD1-CG2 4.1Å; I45-A157 HydrophobicContact CD1-CB 3.54Å; I45-A157 HydrophobicContact CG1-CB 4.09Å; I45-L169 HydrophobicContact CD1-CD2 4.34Å; I45-L169 HydrophobicContact CG2-CD1 4.32Å; I45-F202 HydrophobicContact CB-CE1 4.2Å; I45-F202 HydrophobicContact CB-CE2 3.93Å; I45-F202 HydrophobicContact CB-CZ 3.58Å; I45-F202 HydrophobicContact CG2-CD1 4.02Å; I45-F202 HydrophobicContact CG2-CD2 4.27Å; I45-F202 HydrophobicContact CG2-CE1 3.52Å; I45-F202 HydrophobicContact CG2-CE2 3.81Å; I45-F202 HydrophobicContact CG2-CG 4.37Å; I45-F202 HydrophobicContact CG2-CZ 3.4Å; I45-I204 HydrophobicContact CG1-CD1 4.48Å
46N96.4Very high96Very high14 Ų1440 Ų408%0.07520%0.195CC..Hα-helixtrans-59-41.4174.4-74.4-27.3000112.2A42 N43 N44 L49 E50 S197 Y200 F202A42-N46 WeakPolarHBondContact O-CB 3.38Å; A42-N46 VanDerWaalsContact O-CG 3.23Å; A42-N46 PolarHBondContact O-N 3.11Å; A42-N46 PolarHBondContact O-ND2 3.5Å; N43-N46 WeakPolarHBondContact O-CB 3.49Å; N43-N46 PolarHBondContact O-N 3.33Å; N44-N46 VanDerWaalsContact C-N 3.33Å; N44-N46 PolarHBondContact O-N 2.97Å; N46-L49 PolarHBondContact O-N 3.49Å; N46-E50 WeakPolarHBondContact O-CB 3.5Å; N46-E50 PolarHBondContact O-N 2.88Å; N46-S197 PolarHBondContact OD1-OG 3.24Å; N46-Y200 WeakPolarHBondContact OD1-CD2 3.42Å; N46-F202 WeakPolarHBondContact OD1-CE1 3.4Å; N46-F202 VanDerWaalsContact OD1-CZ 3.27Å; N46-F202 WeakPolarHBondContact OD1-CZ 3.06Å
47H95.4Very high95.8Very high125 Ų12542.7 Ų42.758%0.57920%0.198SC*.Hα-helixtrans-64.6-42.7176.6-77.1-60.1000112.3N43 N44 I45 L49 E50 E51N43-H47 PolarHBondContact O-CD2 2.87Å; N43-H47 PolarHBondContact O-N 3.33Å; N44-H47 PolarHBondContact O-N 2.88Å; I45-H47 VanDerWaalsContact C-N 3.31Å; I45-H47 PolarHBondContact O-N 2.99Å; H47-L49 VanDerWaalsContact C-N 3.32Å; H47-L49 PolarHBondContact O-N 3.28Å; H47-E50 WeakPolarHBondContact O-CB 3.47Å; H47-E50 PolarHBondContact O-N 2.74Å; H47-E51 PolarHBondContact O-N 3.31Å; H47-E51 VanDerWaalsContact O-N 3.14Å
48I96.1Very high95.4Very high6 Ų643.7 Ų43.73%0.03120%0.203CC..Hα-helixtrans-60.5-43.2175.3-66.7168.3000110.9N44 I45 E51 A52 H84 I149 H153 A157N44-I48 WeakPolarHBondContact O-CG1 3.28Å; N44-I48 PolarHBondContact O-N 3.06Å; N44-I48 VanDerWaalsContact O-N 3.09Å; I45-I48 HydrophobicContact CD1-CD1 4.39Å; I45-I48 PolarHBondContact O-N 3.08Å; I48-E51 PolarHBondContact O-N 3.18Å; I48-A52 PolarHBondContact O-N 3.29Å; I48-H84 HydrophobicContact CB-CB 4.45Å; I48-H84 HydrophobicContact CG1-CB 4.16Å; I48-H84 HydrophobicContact CG2-CB 3.85Å; I48-I149 HydrophobicContact CG2-CB 4.48Å; I48-I149 HydrophobicContact CG2-CD1 3.83Å; I48-I149 HydrophobicContact CG2-CG1 4.03Å; I48-I149 HydrophobicContact CG2-CG2 3.64Å; I48-H153 HydrophobicContact CD1-CB 4.23Å; I48-A157 HydrophobicContact CD1-CB 3.94Å
49L96.3Very high95.3Very high0 Ų043.7 Ų43.70%020%0.203CC..Hα-helixtrans-72.1-29.6178.8-70.4177.1000113.2I45 N46 H47 A52 S53 L119 L134 Y136 I149 Y200 F202I45-L49 HydrophobicContact CG2-CD1 3.99Å; I45-L49 HydrophobicContact CG2-CG 4.33Å; I45-L49 WeakPolarHBondContact O-CG 3.44Å; I45-L49 PolarHBondContact O-N 3.06Å; N46-L49 PolarHBondContact O-N 3.49Å; H47-L49 VanDerWaalsContact C-N 3.32Å; H47-L49 PolarHBondContact O-N 3.28Å; L49-A52 PolarHBondContact O-N 2.82Å; L49-S53 WeakPolarHBondContact O-CB 3.47Å; L49-S53 PolarHBondContact O-N 2.84Å; L49-L119 HydrophobicContact CD1-CD1 3.81Å; L49-L119 HydrophobicContact CD1-CD2 3.93Å; L49-L119 HydrophobicContact CD2-CD2 3.48Å; L49-L119 VanDerWaalsContact CD2-CD2 3.48Å; L49-L119 HydrophobicContact CG-CD2 4.36Å; L49-L134 HydrophobicContact CD2-CD2 3.92Å; L49-Y136 HydrophobicContact CD2-CD2 4.29Å; L49-I149 HydrophobicContact CD2-CD1 3.8Å; L49-Y200 HydrophobicContact CB-CD1 4.19Å; L49-Y200 HydrophobicContact CB-CD2 3.76Å; L49-Y200 HydrophobicContact CB-CE1 3.95Å; L49-Y200 HydrophobicContact CB-CE2 3.5Å; L49-Y200 VanDerWaalsContact CB-CE2 3.5Å; L49-Y200 HydrophobicContact CB-CG 4.11Å; L49-Y200 HydrophobicContact CD1-CD1 4.12Å; L49-Y200 HydrophobicContact CD1-CD2 3.73Å; L49-Y200 HydrophobicContact CD1-CE2 4.37Å; L49-Y200 HydrophobicContact CD1-CG 3.61Å; L49-Y200 HydrophobicContact CG-CD2 4.42Å; L49-Y200 PolarHBondContact O-OH 2.94Å; L49-F202 HydrophobicContact CD1-CD1 3.76Å; L49-F202 HydrophobicContact CD1-CE1 3.7Å
50E95Very high95.1Very high59 Ų5937.6 Ų37.628%0.27618%0.183SC..Hα-helixtrans-63.5-42172-168.573-139.100111.2N46 H47 A52 S53 Q54 K199 Y200N46-E50 WeakPolarHBondContact O-CB 3.5Å; N46-E50 PolarHBondContact O-N 2.88Å; H47-E50 WeakPolarHBondContact O-CB 3.47Å; H47-E50 PolarHBondContact O-N 2.74Å; E50-A52 VanDerWaalsContact C-N 3.33Å; E50-A52 PolarHBondContact O-N 3.31Å; E50-S53 PolarHBondContact O-N 3.29Å; E50-Q54 VanDerWaalsContact O-CG 3.3Å; E50-Q54 WeakPolarHBondContact O-CG 3.23Å; E50-Q54 PolarHBondContact O-N 3.46Å; E50-K199 IonicContact OE2-NZ 3.29Å; E50-K199 PolarHBondContact OE2-NZ 2.55Å; E50-Y200 WeakPolarHBondContact CA-OH 3.32Å; E50-Y200 PolarHBondContact N-OH 2.66Å
51E95.2Very high94.8Very high35 Ų3536 Ų3616%0.16418%0.183CC..Hα-helixtrans-60.7-43.1172.5-71.2177.4-16400111.9H47 I48 Q54 A55 K82 P83 H84H47-E51 PolarHBondContact O-N 3.31Å; H47-E51 VanDerWaalsContact O-N 3.14Å; I48-E51 PolarHBondContact O-N 3.18Å; E51-Q54 PolarHBondContact O-N 3.2Å; E51-A55 WeakPolarHBondContact O-CB 3.46Å; E51-A55 PolarHBondContact O-N 3.2Å; E51-K82 HydrophobicContact CB-CD 4.23Å; E51-K82 HydrophobicContact CG-CD 4.33Å; E51-P83 WeakPolarHBondContact OE2-CD 3.41Å; E51-H84 IonicContact OE1-CE1 3.34Å; E51-H84 PolarHBondContact OE1-CE1 2.75Å; E51-H84 IonicContact OE1-ND1 2.97Å; E51-H84 PolarHBondContact OE1-ND1 2.61Å; E51-H84 IonicContact OE2-CE1 3.86Å; E51-H84 IonicContact OE2-CG 3.6Å; E51-H84 PolarHBondContact OE2-N 2.89Å; E51-H84 IonicContact OE2-ND1 2.77Å; E51-H84 PolarHBondContact OE2-ND1 3.1Å
52A95.9Very high94.6Very high0 Ų036.1 Ų36.10%018%0.184CC..Hα-helixtrans-62.4-45176.800000111.5I48 L49 E50 A55 T56 L85 Y136 V147 I149I48-A52 PolarHBondContact O-N 3.29Å; L49-A52 PolarHBondContact O-N 2.82Å; E50-A52 VanDerWaalsContact C-N 3.33Å; E50-A52 PolarHBondContact O-N 3.31Å; A52-A55 PolarHBondContact O-N 2.93Å; A52-T56 WeakPolarHBondContact O-CG2 3.07Å; A52-T56 PolarHBondContact O-N 3.33Å; A52-T56 VanDerWaalsContact O-N 3.13Å; A52-L85 HydrophobicContact CB-CD2 3.86Å; A52-Y136 HydrophobicContact CB-CD1 3.96Å; A52-Y136 HydrophobicContact CB-CG 4.04Å; A52-V147 HydrophobicContact CB-CB 4.17Å; A52-V147 HydrophobicContact CB-CG1 3.83Å; A52-I149 HydrophobicContact CB-CD1 4.17Å
53S94.7Very high94.2Very high33 Ų3336.5 Ų36.523%0.23119%0.187CC..Hα-helixtrans-58.6-48.3176.4-173.80000111.7L49 E50 A55 T56 Y136L49-S53 WeakPolarHBondContact O-CB 3.47Å; L49-S53 PolarHBondContact O-N 2.84Å; E50-S53 PolarHBondContact O-N 3.29Å; S53-A55 VanDerWaalsContact C-N 3.35Å; S53-A55 PolarHBondContact O-N 2.85Å; S53-T56 WeakPolarHBondContact O-CB 3.37Å; S53-T56 PolarHBondContact O-N 3.5Å; S53-T56 VanDerWaalsContact O-N 3.1Å; S53-T56 PolarHBondContact O-OG1 2.87Å; S53-Y136 PolarHBondContact OG-OH 3.26Å
54Q94.1Very high93.8Very high92 Ų9235.9 Ų35.943%0.4320%0.201SC..Hα-helixtrans-59.7-43.1176.5-71.8173.8600112.5E50 E51 T56 Q57E50-Q54 VanDerWaalsContact O-CG 3.3Å; E50-Q54 WeakPolarHBondContact O-CG 3.23Å; E50-Q54 PolarHBondContact O-N 3.46Å; E51-Q54 PolarHBondContact O-N 3.2Å; Q54-T56 PolarHBondContact O-N 2.93Å; Q54-Q57 VanDerWaalsContact O-CB 3.28Å; Q54-Q57 WeakPolarHBondContact O-CB 3.44Å; Q54-Q57 PolarHBondContact O-N 3.16Å
55A95.4Very high93.4Very high0 Ų039.2 Ų39.20%021%0.214CC..Hα-helixtrans-63-27.9177.900000112.7E51 A52 S53 Q57 T58 A59 E78 L85 I88E51-A55 WeakPolarHBondContact O-CB 3.46Å; E51-A55 PolarHBondContact O-N 3.2Å; A52-A55 PolarHBondContact O-N 2.93Å; S53-A55 VanDerWaalsContact C-N 3.35Å; S53-A55 PolarHBondContact O-N 2.85Å; A55-Q57 VanDerWaalsContact C-N 3.25Å; A55-Q57 PolarHBondContact O-N 3.07Å; A55-T58 PolarHBondContact O-N 3.36Å; A55-A59 PolarHBondContact O-N 3.36Å; A55-E78 HydrophobicContact CB-CG 3.95Å; A55-L85 HydrophobicContact CB-CD1 3.45Å; A55-L85 VanDerWaalsContact CB-CD1 3.45Å; A55-I88 HydrophobicContact CB-CD1 3.88Å
56T94.3Very high93Very high1 Ų146.7 Ų46.71%0.00625%0.248CC..Hα-helixtrans-64.9-30.2172.970.80000112.6A52 S53 Q54 T58 A59 V60 Y136 N138 I145 V147A52-T56 WeakPolarHBondContact O-CG2 3.07Å; A52-T56 PolarHBondContact O-N 3.33Å; A52-T56 VanDerWaalsContact O-N 3.13Å; S53-T56 WeakPolarHBondContact O-CB 3.37Å; S53-T56 PolarHBondContact O-N 3.5Å; S53-T56 VanDerWaalsContact O-N 3.1Å; S53-T56 PolarHBondContact O-OG1 2.87Å; Q54-T56 PolarHBondContact O-N 2.93Å; T56-T58 PolarHBondContact O-N 2.97Å; T56-A59 PolarHBondContact O-N 3.46Å; T56-V60 WeakPolarHBondContact O-CG2 3.42Å; T56-V60 PolarHBondContact O-N 3.35Å; T56-Y136 HydrophobicContact CG2-CD1 3.87Å; T56-Y136 HydrophobicContact CG2-CE1 3.65Å; T56-N138 HydrophobicContact CG2-CB 3.84Å; T56-N138 PolarHBondContact OG1-ND2 2.82Å; T56-I145 HydrophobicContact CG2-CB 4.4Å; T56-I145 HydrophobicContact CG2-CG2 3.82Å; T56-V147 HydrophobicContact CG2-CG2 3.73Å
57Q91.1Very high92.6Very high115 Ų11547.7 Ų47.754%0.53726%0.256SS..Hα-helixtrans-65.6-40.2178.1-162.462.74200111.7Q54 A55 A59 V60 N61Q54-Q57 VanDerWaalsContact O-CB 3.28Å; Q54-Q57 WeakPolarHBondContact O-CB 3.44Å; Q54-Q57 PolarHBondContact O-N 3.16Å; A55-Q57 VanDerWaalsContact C-N 3.25Å; A55-Q57 PolarHBondContact O-N 3.07Å; Q57-A59 VanDerWaalsContact C-N 3.35Å; Q57-V60 PolarHBondContact O-N 3.09Å; Q57-N61 PolarHBondContact O-N 3.33Å
58T90.4Very high92.4Very high25 Ų2545.2 Ų45.215%0.15325%0.247CC..Hα-helixtrans-62.8-43172.8-56.30000111A55 T56 V60 N61 I62 E78A55-T58 PolarHBondContact O-N 3.36Å; T56-T58 PolarHBondContact O-N 2.97Å; T58-V60 PolarHBondContact O-N 2.79Å; T58-N61 PolarHBondContact O-N 2.89Å; T58-I62 HydrophobicContact CG2-CD1 4.17Å; T58-I62 PolarHBondContact O-N 2.88Å; T58-I62 VanDerWaalsContact O-N 3.15Å; T58-E78 WeakPolarHBondContact CB-OE2 3.14Å; T58-E78 HydrophobicContact CG2-CB 4.19Å; T58-E78 HydrophobicContact CG2-CG 4.14Å; T58-E78 PolarHBondContact OG1-OE2 2.73Å
59A94.1Very high92.1Very high0 Ų051.9 Ų51.90%028%0.282CS..Hα-helixtrans-66.5-33.4178.300000113.5A55 T56 Q57 N61 I62 A63 L75 I88 I90 I145A55-A59 PolarHBondContact O-N 3.36Å; T56-A59 PolarHBondContact O-N 3.46Å; Q57-A59 VanDerWaalsContact C-N 3.35Å; A59-N61 VanDerWaalsContact C-N 3.34Å; A59-I62 PolarHBondContact O-N 3.48Å; A59-A63 WeakPolarHBondContact O-CB 3.47Å; A59-A63 PolarHBondContact O-N 3.26Å; A59-L75 HydrophobicContact CB-CD1 3.98Å; A59-I88 HydrophobicContact CB-CG2 3.9Å; A59-I90 HydrophobicContact CB-CD1 4.07Å; A59-I90 HydrophobicContact CB-CG1 4.14Å; A59-I90 WeakPolarHBondContact O-CD1 3.19Å; A59-I145 HydrophobicContact CB-CD1 3.76Å; A59-I145 HydrophobicContact CB-CG1 4.06Å; A59-I145 HydrophobicContact CB-CG2 3.69Å
60V92.8Very high91.9Very high20 Ų2058.8 Ų58.812%0.12131%0.314CS..Hα-helixtrans-60.5-44.4172.3169.80000110.6T56 Q57 T58 I62 A63 G64 F140 I145T56-V60 WeakPolarHBondContact O-CG2 3.42Å; T56-V60 PolarHBondContact O-N 3.35Å; Q57-V60 PolarHBondContact O-N 3.09Å; T58-V60 PolarHBondContact O-N 2.79Å; V60-I62 VanDerWaalsContact C-N 3.33Å; V60-I62 PolarHBondContact O-N 2.94Å; V60-A63 WeakPolarHBondContact O-CB 3.46Å; V60-A63 PolarHBondContact O-N 2.89Å; V60-G64 PolarHBondContact O-N 3.39Å; V60-F140 HydrophobicContact CG1-CD1 4Å; V60-F140 HydrophobicContact CG1-CD2 4.49Å; V60-F140 HydrophobicContact CG1-CE1 4.15Å; V60-F140 HydrophobicContact CG1-CG 4.18Å; V60-F140 HydrophobicContact CG1-CZ 4.47Å; V60-F140 HydrophobicContact CG2-CB 4.16Å; V60-F140 HydrophobicContact CG2-CG 4.33Å; V60-I145 HydrophobicContact CB-CD1 4.28Å; V60-I145 HydrophobicContact CG2-CD1 3.4Å
61N90.6Very high91.7Very high101 Ų10156.7 Ų56.754%0.5431%0.305SS..Hα-helixtrans-63.8-39.4178.9-66.7-19.6000112Q57 T58 A59 G64Q57-N61 PolarHBondContact O-N 3.33Å; T58-N61 PolarHBondContact O-N 2.89Å; A59-N61 VanDerWaalsContact C-N 3.34Å; N61-G64 PolarHBondContact O-N 3.05Å
62I91.5Very high91.6Very high1 Ų156.3 Ų56.31%0.00530%0.303CS..Hα-helixtrans-69.3-36.3176.5-68.2168.3000111.2T58 A59 V60 G64 K65 E71 Q74 L75 I90 W97T58-I62 HydrophobicContact CG2-CD1 4.17Å; T58-I62 PolarHBondContact O-N 2.88Å; T58-I62 VanDerWaalsContact O-N 3.15Å; A59-I62 PolarHBondContact O-N 3.48Å; V60-I62 VanDerWaalsContact C-N 3.33Å; V60-I62 PolarHBondContact O-N 2.94Å; I62-G64 PolarHBondContact O-N 2.93Å; I62-G64 VanDerWaalsContact O-N 3.15Å; I62-K65 PolarHBondContact O-N 3.38Å; I62-E71 HydrophobicContact CG2-CB 3.82Å; I62-E71 HydrophobicContact CG2-CG 3.94Å; I62-Q74 HydrophobicContact CD1-CB 4.13Å; I62-Q74 HydrophobicContact CD1-CG 4.1Å; I62-L75 HydrophobicContact CD1-CB 3.91Å; I62-L75 HydrophobicContact CD1-CD1 4.06Å; I62-I90 HydrophobicContact CB-CD1 4.21Å; I62-I90 HydrophobicContact CG2-CD1 3.95Å; I62-W97 HydrophobicContact CG2-CZ3 4.37Å
63A90.3Very high91.5Very high12 Ų1264.3 Ų64.310%0.09933%0.334CS..Hα-helixtrans-61.8-22.117800000113.6A59 V60 K65 I90 K92 T143A59-A63 WeakPolarHBondContact O-CB 3.47Å; A59-A63 PolarHBondContact O-N 3.26Å; V60-A63 WeakPolarHBondContact O-CB 3.46Å; V60-A63 PolarHBondContact O-N 2.89Å; A63-K65 VanDerWaalsContact C-N 3.31Å; A63-I90 HydrophobicContact CB-CD1 4.47Å; A63-I90 HydrophobicContact CB-CG2 4.05Å; A63-K92 WeakPolarHBondContact O-CE 3.32Å; A63-K92 PolarHBondContact O-NZ 3.01Å; A63-T143 HydrophobicContact CB-CG2 3.89Å
64G87.2Confident91.4Very high73 Ų7366.7 Ų66.775%0.75334%0.342SS*.THydrogen-bonded Turntrans-78.6-7173.100000115.1V60 N61 I62V60-G64 PolarHBondContact O-N 3.39Å; N61-G64 PolarHBondContact O-N 3.05Å; I62-G64 PolarHBondContact O-N 2.93Å; I62-G64 VanDerWaalsContact O-N 3.15Å
65K88.8Confident91.4Very high111 Ų11162.3 Ų62.348%0.48332%0.321SS..SBendtrans-112.5-175-178-58.5-175.9-178.4-179.60111.6I62 A63 E71 W97I62-K65 PolarHBondContact O-N 3.38Å; A63-K65 VanDerWaalsContact C-N 3.31Å; K65-E71 HydrophobicContact CB-CG 4.21Å; K65-E71 HydrophobicContact CD-CG 4.16Å; K65-E71 WeakPolarHBondContact CD-OE1 3.4Å; K65-E71 IonicContact NZ-OE1 3.69Å; K65-W97 WeakPolarHBondContact O-CH2 3.32Å; K65-W97 WeakPolarHBondContact O-CZ2 3.12Å
66E87.1Confident91.3Very high157 Ų15763.3 Ų63.373%0.73433%0.332SS*.  trans-84.1138.4167-64.8-173.317000110.2N68 E71E66-N68 VanDerWaalsContact C-N 3.34Å; E66-N68 PolarHBondContact O-N 2.92Å; E66-E71 WeakPolarHBondContact O-CG 3.29Å
67C89Confident91.4Very high36 Ų3665.5 Ų65.524%0.24335%0.345CS..  trans-81.780.9176.3178.30000109.8W97 C98C67-W97 HydrophobicContact CB-CD2 4.35Å; C67-W97 HydrophobicContact CB-CE3 4.29Å; C67-W97 HydrophobicContact CB-CH2 3.71Å; C67-W97 HydrophobicContact CB-CZ2 3.79Å; C67-W97 HydrophobicContact CB-CZ3 3.97Å; C67-C98 HydrophobicContact CB-CB 3.6Å; C67-C98 WeakPolarHBondContact CB-SG 3.31Å; C67-C98 VanDerWaalsContact SG-CA 3.55Å; C67-C98 WeakPolarHBondContact SG-CB 3.44Å; C67-C98 CovalentContact SG-SG 2.04Å; C67-C98 PolarHBondContact SG-SG 3.33Å
68N90.3Very high91.5Very high73 Ų7361.5 Ų61.539%0.3933%0.326SS..  trans-94.2-173.317072.647.7000110.6E66 E70 E71 Q72E66-N68 VanDerWaalsContact C-N 3.34Å; E66-N68 PolarHBondContact O-N 2.92Å; N68-E70 VanDerWaalsContact C-N 3.27Å; N68-E70 PolarHBondContact O-N 2.89Å; N68-E70 WeakPolarHBondContact OD1-CA 3.36Å; N68-E70 VanDerWaalsContact OD1-CB 3.23Å; N68-E70 WeakPolarHBondContact OD1-CB 3.37Å; N68-E70 PolarHBondContact OD1-N 3.01Å; N68-E71 PolarHBondContact ND2-OE2 3.18Å; N68-E71 PolarHBondContact O-N 3.47Å; N68-E71 PolarHBondContact OD1-N 3.28Å; N68-E71 PolarHBondContact OD1-OE2 3.45Å; N68-Q72 WeakPolarHBondContact O-CB 3.35Å; N68-Q72 PolarHBondContact O-N 3.01Å
69L90Very high91.7Very high145 Ų14560.7 Ų60.776%0.75932%0.322SS*.Hα-helixtrans-60.3-33.4-179.5-71.2169.4000113.4Y73L69-Y73 VanDerWaalsContact O-CB 3.25Å; L69-Y73 WeakPolarHBondContact O-CB 3.46Å; L69-Y73 PolarHBondContact O-N 2.84Å
70E91.8Very high91.7Very high145 Ų14564.7 Ų64.768%0.67836%0.355SS*.Hα-helixtrans-71.7-48.3179.5-170.4171.1176.900111.7N68 Q72 Y73 Q74N68-E70 VanDerWaalsContact C-N 3.27Å; N68-E70 PolarHBondContact O-N 2.89Å; N68-E70 WeakPolarHBondContact OD1-CA 3.36Å; N68-E70 VanDerWaalsContact OD1-CB 3.23Å; N68-E70 WeakPolarHBondContact OD1-CB 3.37Å; N68-E70 PolarHBondContact OD1-N 3.01Å; E70-Q72 VanDerWaalsContact C-N 3.34Å; E70-Q72 PolarHBondContact O-N 2.98Å; E70-Y73 WeakPolarHBondContact O-CB 3.48Å; E70-Y73 PolarHBondContact O-N 2.99Å; E70-Q74 PolarHBondContact O-N 3.22Å
71E91.7Very high91.8Very high16 Ų1669.9 Ų69.98%0.07538%0.382CS..Hα-helixtrans-62.2-40.4174.1-84.872.1-155.100112.4I62 K65 E66 N68 Y73 Q74 L75I62-E71 HydrophobicContact CG2-CB 3.82Å; I62-E71 HydrophobicContact CG2-CG 3.94Å; K65-E71 HydrophobicContact CB-CG 4.21Å; K65-E71 HydrophobicContact CD-CG 4.16Å; K65-E71 WeakPolarHBondContact CD-OE1 3.4Å; K65-E71 IonicContact NZ-OE1 3.69Å; E66-E71 WeakPolarHBondContact O-CG 3.29Å; N68-E71 PolarHBondContact ND2-OE2 3.18Å; N68-E71 PolarHBondContact O-N 3.47Å; N68-E71 PolarHBondContact OD1-N 3.28Å; N68-E71 PolarHBondContact OD1-OE2 3.45Å; E71-Y73 VanDerWaalsContact C-N 3.35Å; E71-Q74 PolarHBondContact O-N 2.95Å; E71-L75 WeakPolarHBondContact O-CB 3.31Å; E71-L75 PolarHBondContact O-N 3.24Å
72Q93Very high91.9Very high26 Ų2667 Ų6712%0.12136%0.364CS..Hα-helixtrans-63.9-40.9174174.4163.488.800111.4N68 E70 L75 G76 T99 L101 N104N68-Q72 WeakPolarHBondContact O-CB 3.35Å; N68-Q72 PolarHBondContact O-N 3.01Å; E70-Q72 VanDerWaalsContact C-N 3.34Å; E70-Q72 PolarHBondContact O-N 2.98Å; Q72-L75 PolarHBondContact O-N 3.14Å; Q72-G76 PolarHBondContact O-N 2.93Å; Q72-T99 WeakPolarHBondContact CG-O 3.06Å; Q72-T99 PolarHBondContact NE2-O 2.93Å; Q72-L101 PolarHBondContact NE2-O 3.07Å; Q72-L101 VanDerWaalsContact NE2-O 3.07Å; Q72-N104 PolarHBondContact NE2-OD1 3.06Å
73Y92.7Very high91.9Very high169 Ų16971 Ų7166%0.66339%0.39SS*.Hα-helixtrans-61.8-42.8174.7173.6-97.1000111.9L69 E70 E71 G76 T77L69-Y73 VanDerWaalsContact O-CB 3.25Å; L69-Y73 WeakPolarHBondContact O-CB 3.46Å; L69-Y73 PolarHBondContact O-N 2.84Å; E70-Y73 WeakPolarHBondContact O-CB 3.48Å; E70-Y73 PolarHBondContact O-N 2.99Å; E71-Y73 VanDerWaalsContact C-N 3.35Å; Y73-G76 PolarHBondContact O-N 3.29Å; Y73-T77 WeakPolarHBondContact O-CB 3.18Å; Y73-T77 PolarHBondContact O-N 3.48Å; Y73-T77 PolarHBondContact O-OG1 2.76Å
74Q93.7Very high92.2Very high83 Ų8372.7 Ų72.739%0.38840%0.396SS..Hα-helixtrans-61.9-44.7176-171.9179.9-0.400111.4I62 E70 E71 G76 T77 E78I62-Q74 HydrophobicContact CD1-CB 4.13Å; I62-Q74 HydrophobicContact CD1-CG 4.1Å; E70-Q74 PolarHBondContact O-N 3.22Å; E71-Q74 PolarHBondContact O-N 2.95Å; Q74-G76 VanDerWaalsContact C-N 3.34Å; Q74-G76 PolarHBondContact O-N 3.41Å; Q74-T77 PolarHBondContact O-N 2.52Å; Q74-E78 PolarHBondContact O-N 3.31Å
75L94.1Very high92.5Very high0 Ų069.7 Ų69.70%036%0.362CS..Hα-helixtrans-65.1-38176.7-165.461000112.1A59 I62 E71 Q72 A79 I88 I90 S100A59-L75 HydrophobicContact CB-CD1 3.98Å; I62-L75 HydrophobicContact CD1-CB 3.91Å; I62-L75 HydrophobicContact CD1-CD1 4.06Å; E71-L75 WeakPolarHBondContact O-CB 3.31Å; E71-L75 PolarHBondContact O-N 3.24Å; Q72-L75 PolarHBondContact O-N 3.14Å; L75-A79 PolarHBondContact O-N 3.18Å; L75-A79 VanDerWaalsContact O-N 3.09Å; L75-I88 HydrophobicContact CD1-CB 3.77Å; L75-I88 HydrophobicContact CD1-CD1 3.94Å; L75-I88 HydrophobicContact CD1-CG1 4.49Å; L75-I88 HydrophobicContact CD1-CG2 3.63Å; L75-I88 HydrophobicContact CD2-CB 4.48Å; L75-I88 HydrophobicContact CG-CB 4.07Å; L75-I88 HydrophobicContact CG-CG2 4.35Å; L75-I90 HydrophobicContact CD2-CD1 4.11Å; L75-I90 HydrophobicContact CD2-CG1 4.24Å; L75-S100 WeakPolarHBondContact O-CB 3.48Å
76G93.8Very high92.6Very high21 Ų2169.6 Ų69.622%0.21636%0.359CS..Hα-helixtrans-62.2-42.9172.100000112.7Q72 Y73 Q74 A79 A80Q72-G76 PolarHBondContact O-N 2.93Å; Y73-G76 PolarHBondContact O-N 3.29Å; Q74-G76 VanDerWaalsContact C-N 3.34Å; Q74-G76 PolarHBondContact O-N 3.41Å; G76-A79 PolarHBondContact O-N 2.83Å; G76-A80 WeakPolarHBondContact O-CB 3.26Å; G76-A80 PolarHBondContact O-N 2.94Å
77T94.5Very high92.9Very high46 Ų4662.2 Ų62.228%0.28233%0.325SS..Hα-helixtrans-66.2-43.2177.8-60.20000110.9Y73 Q74 A79 A80 L81Y73-T77 WeakPolarHBondContact O-CB 3.18Å; Y73-T77 PolarHBondContact O-N 3.48Å; Y73-T77 PolarHBondContact O-OG1 2.76Å; Q74-T77 PolarHBondContact O-N 2.52Å; T77-A79 PolarHBondContact O-N 2.89Å; T77-A80 PolarHBondContact O-N 2.88Å; T77-L81 HydrophobicContact CG2-CD1 3.77Å; T77-L81 HydrophobicContact CG2-CG 4.12Å; T77-L81 WeakPolarHBondContact O-CB 3.49Å; T77-L81 VanDerWaalsContact O-CG 3.27Å; T77-L81 WeakPolarHBondContact O-CG 3.46Å; T77-L81 PolarHBondContact O-N 2.95Å
78E95.1Very high93.2Very high32 Ų3260.5 Ų60.515%0.1531%0.313CS..Hα-helixtrans-57.8-48.3174.3-17568.6-139.100111.3A55 T58 Q74 A80 L81 K82 I88A55-E78 HydrophobicContact CB-CG 3.95Å; T58-E78 WeakPolarHBondContact CB-OE2 3.14Å; T58-E78 HydrophobicContact CG2-CB 4.19Å; T58-E78 HydrophobicContact CG2-CG 4.14Å; T58-E78 PolarHBondContact OG1-OE2 2.73Å; Q74-E78 PolarHBondContact O-N 3.31Å; E78-A80 VanDerWaalsContact C-N 3.28Å; E78-A80 PolarHBondContact O-N 2.98Å; E78-L81 PolarHBondContact O-N 3.49Å; E78-K82 WeakPolarHBondContact O-CG 3.43Å; E78-K82 PolarHBondContact O-N 3.17Å; E78-K82 WeakPolarHBondContact OE1-CE 3.39Å; E78-I88 HydrophobicContact CB-CD1 4.05Å; E78-I88 HydrophobicContact CG-CD1 3.81Å
79A94.2Very high93.4Very high8 Ų857.2 Ų57.27%0.06630%0.295CS..Hα-helixtrans-62.7-33.9177.700000112.8L75 G76 T77 I88L75-A79 PolarHBondContact O-N 3.18Å; L75-A79 VanDerWaalsContact O-N 3.09Å; G76-A79 PolarHBondContact O-N 2.83Å; T77-A79 PolarHBondContact O-N 2.89Å; A79-I88 HydrophobicContact CB-CD1 4Å; A79-I88 HydrophobicContact CB-CG1 4.13Å
80A93.4Very high93.6Very high84 Ų8450.3 Ų50.369%0.69426%0.259SS*.Hα-helixtrans-77.4-31.4178.900000113.5G76 T77 E78G76-A80 WeakPolarHBondContact O-CB 3.26Å; G76-A80 PolarHBondContact O-N 2.94Å; T77-A80 PolarHBondContact O-N 2.88Å; E78-A80 VanDerWaalsContact C-N 3.28Å; E78-A80 PolarHBondContact O-N 2.98Å
81L94.4Very high93.6Very high129 Ų12943.5 Ų43.568%0.67523%0.228SC*.Hα-helixtrans-76.9-22.6179.4-72.9175.3000113T77 E78T77-L81 HydrophobicContact CG2-CD1 3.77Å; T77-L81 HydrophobicContact CG2-CG 4.12Å; T77-L81 WeakPolarHBondContact O-CB 3.49Å; T77-L81 VanDerWaalsContact O-CG 3.27Å; T77-L81 WeakPolarHBondContact O-CG 3.46Å; T77-L81 PolarHBondContact O-N 2.95Å; E78-L81 PolarHBondContact O-N 3.49Å
82K94.1Very high93.5Very high41 Ų4145.6 Ų45.618%0.17824%0.237CC..SBendtrans-93.8110.3177-59.4-65.2-177.1178.90110.1E51 E78 H84 L85E51-K82 HydrophobicContact CB-CD 4.23Å; E51-K82 HydrophobicContact CG-CD 4.33Å; E78-K82 WeakPolarHBondContact O-CG 3.43Å; E78-K82 PolarHBondContact O-N 3.17Å; E78-K82 WeakPolarHBondContact OE1-CE 3.39Å; K82-H84 PolarHBondContact O-N 2.94Å; K82-H84 VanDerWaalsContact O-N 3.08Å; K82-L85 HydrophobicContact CB-CB 4.13Å; K82-L85 HydrophobicContact CB-CD1 3.54Å; K82-L85 HydrophobicContact CB-CG 3.55Å; K82-L85 HydrophobicContact CG-CD1 3.8Å; K82-L85 HydrophobicContact CG-CG 4.36Å; K82-L85 PolarHBondContact O-N 3.28Å
83P91.7Very high93.2Very high84 Ų8453 Ų5355%0.54527%0.271SS..THydrogen-bonded Turntrans-63.9-23.4-165.324-34.5000114.8E51 H153E51-P83 WeakPolarHBondContact OE2-CD 3.41Å; P83-H153 PolarHBondContact O-CE1 3.4Å; P83-H153 PolarHBondContact O-NE2 3.14Å
84H95.1Very high92.7Very high48 Ų4847.5 Ų47.522%0.22227%0.266CS..THydrogen-bonded Turntrans-96.5-12.8-177.3-53.3105.3000114I48 E51 K82 H153I48-H84 HydrophobicContact CB-CB 4.45Å; I48-H84 HydrophobicContact CG1-CB 4.16Å; I48-H84 HydrophobicContact CG2-CB 3.85Å; E51-H84 IonicContact OE1-CE1 3.34Å; E51-H84 PolarHBondContact OE1-CE1 2.75Å; E51-H84 IonicContact OE1-ND1 2.97Å; E51-H84 PolarHBondContact OE1-ND1 2.61Å; E51-H84 IonicContact OE2-CE1 3.86Å; E51-H84 IonicContact OE2-CG 3.6Å; E51-H84 PolarHBondContact OE2-N 2.89Å; E51-H84 IonicContact OE2-ND1 2.77Å; E51-H84 PolarHBondContact OE2-ND1 3.1Å; K82-H84 PolarHBondContact O-N 2.94Å; K82-H84 VanDerWaalsContact O-N 3.08Å; H84-H153 HydrophobicContact CB-CB 4.34Å; H84-H153 AromaticContact CD2-CG 3.74Å; H84-H153 AromaticContact CD2-ND1 3.51Å; H84-H153 PolarHBondContact O-CD2 2.93Å
85L94.2Very high92.4Very high9 Ų949.2 Ų49.25%0.04728%0.276CS..EExtended strand (participates in β ladder)trans-85.4154.9-176-52.1-169.8000110.6A52 A55 K82 V147 I149A52-L85 HydrophobicContact CB-CD2 3.86Å; A55-L85 HydrophobicContact CB-CD1 3.45Å; A55-L85 VanDerWaalsContact CB-CD1 3.45Å; K82-L85 HydrophobicContact CB-CB 4.13Å; K82-L85 HydrophobicContact CB-CD1 3.54Å; K82-L85 HydrophobicContact CB-CG 3.55Å; K82-L85 HydrophobicContact CG-CD1 3.8Å; K82-L85 HydrophobicContact CG-CG 4.36Å; K82-L85 PolarHBondContact O-N 3.28Å; L85-V147 HydrophobicContact CB-CG1 4.38Å; L85-V147 HydrophobicContact CD1-CG1 3.78Å; L85-V147 HydrophobicContact CD2-CG1 3.6Å; L85-V147 HydrophobicContact CG-CG1 4.1Å; L85-I149 HydrophobicContact CD2-CG1 3.87Å
86R91.5Very high92.2Very high110 Ų11051 Ų5142%0.41529%0.287SS..EExtended strand (participates in β ladder)trans-118.2-50.9176.1-62.5-63.2173.3158.50.3112.4L107 T148 H153R86-L107 HydrophobicContact CB-CD1 4.35Å; R86-T148 WeakPolarHBondContact CB-OG1 3.4Å; R86-T148 PolarHBondContact N-O 2.68Å; R86-H153 PolarHBondContact NH2-NE2 3.06Å
87T93.1Very high92Very high2 Ų253.1 Ų53.11%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-144.6148.8179.462.10000111S100 L101 L107 V147 T148T87-S100 VanDerWaalsContact CA-OG 3.26Å; T87-S100 WeakPolarHBondContact CA-OG 3.44Å; T87-L101 HydrophobicContact CG2-CD1 3.69Å; T87-L101 HydrophobicContact CG2-CD2 3.96Å; T87-L101 HydrophobicContact CG2-CG 3.62Å; T87-L107 HydrophobicContact CG2-CD1 3.56Å; T87-L107 HydrophobicContact CG2-CG 3.84Å; T87-V147 WeakPolarHBondContact O-CA 3.26Å; T87-T148 PolarHBondContact N-OG1 2.85Å; T87-T148 PolarHBondContact O-N 3.02Å; T87-T148 PolarHBondContact O-OG1 3Å; T87-T148 WeakPolarHBondContact OG1-CG2 3.06Å; T87-T148 PolarHBondContact OG1-OG1 3.02Å
88I95.5Very high92Very high0 Ų050.9 Ų50.90%028%0.275CS..EExtended strand (participates in β ladder)trans-118.6129.4171.5-51.9165.1000106.9A55 A59 L75 E78 A79 T99 S100 I145 L146 V147A55-I88 HydrophobicContact CB-CD1 3.88Å; A59-I88 HydrophobicContact CB-CG2 3.9Å; L75-I88 HydrophobicContact CD1-CB 3.77Å; L75-I88 HydrophobicContact CD1-CD1 3.94Å; L75-I88 HydrophobicContact CD1-CG1 4.49Å; L75-I88 HydrophobicContact CD1-CG2 3.63Å; L75-I88 HydrophobicContact CD2-CB 4.48Å; L75-I88 HydrophobicContact CG-CB 4.07Å; L75-I88 HydrophobicContact CG-CG2 4.35Å; E78-I88 HydrophobicContact CB-CD1 4.05Å; E78-I88 HydrophobicContact CG-CD1 3.81Å; A79-I88 HydrophobicContact CB-CD1 4Å; A79-I88 HydrophobicContact CB-CG1 4.13Å; I88-T99 CarbonylContact O-C 3.57Å; I88-T99 WeakPolarHBondContact O-CA 3.43Å; I88-S100 PolarHBondContact N-OG 3.06Å; I88-S100 PolarHBondContact O-N 2.67Å; I88-I145 HydrophobicContact CG2-CG2 3.96Å; I88-L146 CarbonylContact C-O 3.32Å; I88-L146 WeakPolarHBondContact CA-O 3.47Å; I88-V147 HydrophobicContact CG1-CG2 4.39Å; I88-V147 HydrophobicContact CG2-CG2 4.27Å
89I94.2Very high92Very high3 Ų349.4 Ų49.42%0.01527%0.268CS..EExtended strand (participates in β ladder)trans-126.1125.6-173.3-53.4170.3000107.4L91 V96 T99 V106 L108 I145 L146 T148I89-L91 HydrophobicContact CG2-CD2 3.67Å; I89-L91 HydrophobicContact CG2-CG 4.2Å; I89-V96 HydrophobicContact CG2-CG1 4.25Å; I89-V96 HydrophobicContact CG2-CG2 4.45Å; I89-T99 HydrophobicContact CG2-CG2 4.2Å; I89-V106 HydrophobicContact CD1-CB 4.29Å; I89-V106 HydrophobicContact CD1-CG1 3.86Å; I89-V106 HydrophobicContact CG1-CG1 4.22Å; I89-V106 HydrophobicContact CG2-CG1 4.18Å; I89-L108 HydrophobicContact CD1-CD1 4.01Å; I89-I145 CarbonylContact O-C 3.57Å; I89-I145 WeakPolarHBondContact O-CA 3.45Å; I89-L146 HydrophobicContact CB-CB 4.23Å; I89-L146 PolarHBondContact N-O 2.78Å; I89-L146 PolarHBondContact O-N 2.74Å; I89-T148 HydrophobicContact CD1-CG2 4.36Å
90I94.6Very high92Very high0 Ų049.6 Ų49.60%027%0.269CS..EExtended strand (participates in β ladder)trans-103.5119.2173.9-54.7178.3000107.5A59 I62 A63 L75 W97 C98 T143A59-I90 HydrophobicContact CB-CD1 4.07Å; A59-I90 HydrophobicContact CB-CG1 4.14Å; A59-I90 WeakPolarHBondContact O-CD1 3.19Å; I62-I90 HydrophobicContact CB-CD1 4.21Å; I62-I90 HydrophobicContact CG2-CD1 3.95Å; A63-I90 HydrophobicContact CB-CD1 4.47Å; A63-I90 HydrophobicContact CB-CG2 4.05Å; L75-I90 HydrophobicContact CD2-CD1 4.11Å; L75-I90 HydrophobicContact CD2-CG1 4.24Å; I90-W97 HydrophobicContact CB-CE3 4.05Å; I90-W97 HydrophobicContact CD1-CE3 4.4Å; I90-W97 HydrophobicContact CD1-CZ3 4.17Å; I90-W97 HydrophobicContact CG2-CE3 3.69Å; I90-W97 HydrophobicContact CG2-CZ3 4.28Å; I90-W97 PolarHBondContact O-N 2.56Å; I90-C98 HydrophobicContact CB-CB 4.25Å; I90-C98 HydrophobicContact CD1-CB 4.26Å; I90-C98 PolarHBondContact N-O 3.09Å; I90-C98 PolarHBondContact O-N 3.2Å; I90-T143 HydrophobicContact CG2-CG2 3.46Å; I90-T143 VanDerWaalsContact CG2-CG2 3.46Å
91L91.6Very high91.9Very high3 Ų347.8 Ų47.82%0.01625%0.248CC..EExtended strand (participates in β ladder)trans-105.9128.5176.5-54.8178.4000109.4I89 I95 V96 I111 T143 R144 L146I89-L91 HydrophobicContact CG2-CD2 3.67Å; I89-L91 HydrophobicContact CG2-CG 4.2Å; L91-I95 VanDerWaalsContact CA-O 3.27Å; L91-I95 WeakPolarHBondContact CA-O 3.47Å; L91-V96 HydrophobicContact CD2-CB 4.3Å; L91-V96 HydrophobicContact CD2-CG2 3.81Å; L91-I111 HydrophobicContact CD1-CD1 4.21Å; L91-I111 HydrophobicContact CD1-CG2 3.72Å; L91-I111 HydrophobicContact CD2-CD1 3.66Å; L91-T143 WeakPolarHBondContact O-CA 3.08Å; L91-R144 HydrophobicContact CB-CB 4.21Å; L91-R144 WeakPolarHBondContact CB-O 3.45Å; L91-R144 PolarHBondContact N-O 3.38Å; L91-R144 PolarHBondContact O-N 3.39Å; L91-L146 HydrophobicContact CD1-CD1 3.67Å; L91-L146 HydrophobicContact CD1-CG 4.06Å; L91-L146 HydrophobicContact CG-CD1 4.48Å
92K90Very high91.6Very high60 Ų6046.3 Ų46.326%0.26125%0.245SC..EExtended strand (participates in β ladder)trans-119.3128.5169.1-68.9-173.4178.5174.50108.2A63 G94 I95 W97 T143A63-K92 WeakPolarHBondContact O-CE 3.32Å; A63-K92 PolarHBondContact O-NZ 3.01Å; K92-G94 PolarHBondContact O-N 3.06Å; K92-G94 VanDerWaalsContact O-N 3.11Å; K92-I95 PolarHBondContact N-O 3.3Å; K92-I95 PolarHBondContact O-N 3.15Å; K92-W97 HydrophobicContact CB-CB 4.08Å; K92-W97 HydrophobicContact CB-CG 4.33Å; K92-W97 HydrophobicContact CD-CB 4.29Å; K92-W97 HydrophobicContact CD-CD2 3.83Å; K92-W97 HydrophobicContact CD-CE3 4.43Å; K92-W97 HydrophobicContact CD-CG 3.72Å; K92-W97 HydrophobicContact CG-CB 3.99Å; K92-W97 HydrophobicContact CG-CD2 4.36Å; K92-W97 HydrophobicContact CG-CG 3.98Å; K92-T143 HydrophobicContact CG-CG2 4.39Å
93Q85.7Confident91.1Very high180 Ų18047.3 Ų47.384%0.84127%0.268SS*.THydrogen-bonded Turntrans52.434.1-177.9-59174.7-21.300113.3I95Q93-I95 VanDerWaalsContact C-N 3.29Å; Q93-I95 PolarHBondContact O-N 2.99Å
94G82.7Confident90.5Very high54 Ų5446.2 Ų46.256%0.55726%0.257SS*.THydrogen-bonded Turntrans80-2.7179.900000115.9K92K92-G94 PolarHBondContact O-N 3.06Å; K92-G94 VanDerWaalsContact O-N 3.11Å
95I86.1Confident89.9Confident119 Ų11953 Ų5361%0.6128%0.281SS*.EExtended strand (participates in β ladder)trans-102.6142.7-180-56.5174.1000109.7L91 K92 Q93 W97L91-I95 VanDerWaalsContact CA-O 3.27Å; L91-I95 WeakPolarHBondContact CA-O 3.47Å; K92-I95 PolarHBondContact N-O 3.3Å; K92-I95 PolarHBondContact O-N 3.15Å; Q93-I95 VanDerWaalsContact C-N 3.29Å; Q93-I95 PolarHBondContact O-N 2.99Å; I95-W97 PolarHBondContact O-N 3.25Å
96V89.7Confident89.4Confident37 Ų3754.7 Ų54.722%0.22429%0.292CS..EExtended strand (participates in β ladder)trans-61.5105.8171.1-177.70000109.3I89 L91 T99 V106 I111I89-V96 HydrophobicContact CG2-CG1 4.25Å; I89-V96 HydrophobicContact CG2-CG2 4.45Å; L91-V96 HydrophobicContact CD2-CB 4.3Å; L91-V96 HydrophobicContact CD2-CG2 3.81Å; V96-T99 HydrophobicContact CG1-CG2 3.22Å; V96-V106 HydrophobicContact CG1-CG1 4.01Å; V96-V106 HydrophobicContact CG2-CG1 3.89Å; V96-I111 HydrophobicContact CG2-CD1 3.9Å
97W91.4Very high88.9Confident66 Ų6651.8 Ų51.825%0.2528%0.284CS..EExtended strand (participates in β ladder)trans-91.4-42.2-178.3177.876.9000111.6I62 K65 C67 I90 K92 I95 N104I62-W97 HydrophobicContact CG2-CZ3 4.37Å; K65-W97 WeakPolarHBondContact O-CH2 3.32Å; K65-W97 WeakPolarHBondContact O-CZ2 3.12Å; C67-W97 HydrophobicContact CB-CD2 4.35Å; C67-W97 HydrophobicContact CB-CE3 4.29Å; C67-W97 HydrophobicContact CB-CH2 3.71Å; C67-W97 HydrophobicContact CB-CZ2 3.79Å; C67-W97 HydrophobicContact CB-CZ3 3.97Å; I90-W97 HydrophobicContact CB-CE3 4.05Å; I90-W97 HydrophobicContact CD1-CE3 4.4Å; I90-W97 HydrophobicContact CD1-CZ3 4.17Å; I90-W97 HydrophobicContact CG2-CE3 3.69Å; I90-W97 HydrophobicContact CG2-CZ3 4.28Å; I90-W97 PolarHBondContact O-N 2.56Å; K92-W97 HydrophobicContact CB-CB 4.08Å; K92-W97 HydrophobicContact CB-CG 4.33Å; K92-W97 HydrophobicContact CD-CB 4.29Å; K92-W97 HydrophobicContact CD-CD2 3.83Å; K92-W97 HydrophobicContact CD-CE3 4.43Å; K92-W97 HydrophobicContact CD-CG 3.72Å; K92-W97 HydrophobicContact CG-CB 3.99Å; K92-W97 HydrophobicContact CG-CD2 4.36Å; K92-W97 HydrophobicContact CG-CG 3.98Å; I95-W97 PolarHBondContact O-N 3.25Å; W97-N104 PolarHBondContact O-ND2 2.89Å
98C94Very high88.5Confident0 Ų052 Ų520%029%0.285CS..EExtended strand (participates in β ladder)trans-151.3144.2177.7-1560000110.4C67 I90C67-C98 HydrophobicContact CB-CB 3.6Å; C67-C98 WeakPolarHBondContact CB-SG 3.31Å; C67-C98 VanDerWaalsContact SG-CA 3.55Å; C67-C98 WeakPolarHBondContact SG-CB 3.44Å; C67-C98 CovalentContact SG-SG 2.04Å; C67-C98 PolarHBondContact SG-SG 3.33Å; I90-C98 HydrophobicContact CB-CB 4.25Å; I90-C98 HydrophobicContact CD1-CB 4.26Å; I90-C98 PolarHBondContact N-O 3.09Å; I90-C98 PolarHBondContact O-N 3.2Å
99T94.6Very high87.8Confident1 Ų155.2 Ų55.21%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-136.2154.4175.777.50000111.7Q72 I88 I89 V96 L101 N104 R105 V106Q72-T99 WeakPolarHBondContact CG-O 3.06Å; Q72-T99 PolarHBondContact NE2-O 2.93Å; I88-T99 CarbonylContact O-C 3.57Å; I88-T99 WeakPolarHBondContact O-CA 3.43Å; I89-T99 HydrophobicContact CG2-CG2 4.2Å; V96-T99 HydrophobicContact CG1-CG2 3.22Å; T99-L101 PolarHBondContact O-N 3.29Å; T99-L101 PolarHBondContact OG1-N 3.35Å; T99-L101 PolarHBondContact OG1-O 3.49Å; T99-N104 HydrophobicContact CG2-CB 4.43Å; T99-N104 PolarHBondContact N-OD1 3.49Å; T99-N104 VanDerWaalsContact OG1-CA 3.28Å; T99-N104 WeakPolarHBondContact OG1-CA 3.45Å; T99-R105 PolarHBondContact OG1-O 3.29Å; T99-R105 VanDerWaalsContact OG1-O 3.1Å; T99-V106 HydrophobicContact CG2-CG1 3.84Å
100S94.4Very high87.1Confident12 Ų1264.4 Ų64.48%0.08434%0.342CS..SBendtrans-64.7-13.7171.467.30000113.5L75 T87 I88L75-S100 WeakPolarHBondContact O-CB 3.48Å; T87-S100 VanDerWaalsContact CA-OG 3.26Å; T87-S100 WeakPolarHBondContact CA-OG 3.44Å; I88-S100 PolarHBondContact N-OG 3.06Å; I88-S100 PolarHBondContact O-N 2.67Å
101L91.9Very high86.4Confident46 Ų4667.5 Ų67.524%0.24136%0.358CS..SBendtrans-90.8141.4175.5-66.4-179.5000111.4Q72 T87 T99 G103 N104 R105 L107Q72-L101 PolarHBondContact NE2-O 3.07Å; Q72-L101 VanDerWaalsContact NE2-O 3.07Å; T87-L101 HydrophobicContact CG2-CD1 3.69Å; T87-L101 HydrophobicContact CG2-CD2 3.96Å; T87-L101 HydrophobicContact CG2-CG 3.62Å; T99-L101 PolarHBondContact O-N 3.29Å; T99-L101 PolarHBondContact OG1-N 3.35Å; T99-L101 PolarHBondContact OG1-O 3.49Å; L101-G103 PolarHBondContact O-N 3.36Å; L101-N104 PolarHBondContact O-N 3.03Å; L101-R105 HydrophobicContact CB-CB 4.35Å; L101-R105 WeakPolarHBondContact CB-O 3.38Å; L101-L107 HydrophobicContact CD1-CD2 4.08Å; L101-L107 HydrophobicContact CD1-CG 3.98Å
102P86.7Confident85.7Confident97 Ų9768.6 Ų68.663%0.6337%0.365SS*.G310 helixtrans-55137.2177.5-26.534.3000113.2N104P102-N104 VanDerWaalsContact C-N 3.32Å; P102-N104 PolarHBondContact O-N 3.27Å
103G83.6Confident85.1Confident63 Ų6372.1 Ų72.165%0.64939%0.392SS*.G310 helixtrans70.825177.500000114.2L101 R105L101-G103 PolarHBondContact O-N 3.36Å; G103-R105 PolarHBondContact O-N 2.79Å
104N80Confident84.5Confident61 Ų6164.5 Ų64.533%0.32636%0.356SS..G310 helixtrans57.631.3177.9-70.7-18.4000114.2Q72 W97 T99 L101 P102Q72-N104 PolarHBondContact NE2-OD1 3.06Å; W97-N104 PolarHBondContact O-ND2 2.89Å; T99-N104 HydrophobicContact CG2-CB 4.43Å; T99-N104 PolarHBondContact N-OD1 3.49Å; T99-N104 VanDerWaalsContact OG1-CA 3.28Å; T99-N104 WeakPolarHBondContact OG1-CA 3.45Å; L101-N104 PolarHBondContact O-N 3.03Å; P102-N104 VanDerWaalsContact C-N 3.32Å; P102-N104 PolarHBondContact O-N 3.27Å
105R81.8Confident83.8Confident190 Ų19065 Ų6572%0.71735%0.349SS*.  trans-74.3150.6175.6-64.5-179.6-176.9-174.51.5110.4T99 L101 G103T99-R105 PolarHBondContact OG1-O 3.29Å; T99-R105 VanDerWaalsContact OG1-O 3.1Å; L101-R105 HydrophobicContact CB-CB 4.35Å; L101-R105 WeakPolarHBondContact CB-O 3.38Å; G103-R105 PolarHBondContact O-N 2.79Å
106V84.8Confident82.9Confident44 Ų4468 Ų6827%0.26737%0.366SS..  trans-122.4146.8176.1-69.20000110.5I89 V96 T99 L108I89-V106 HydrophobicContact CD1-CB 4.29Å; I89-V106 HydrophobicContact CD1-CG1 3.86Å; I89-V106 HydrophobicContact CG1-CG1 4.22Å; I89-V106 HydrophobicContact CG2-CG1 4.18Å; V96-V106 HydrophobicContact CG1-CG1 4.01Å; V96-V106 HydrophobicContact CG2-CG1 3.89Å; T99-V106 HydrophobicContact CG2-CG1 3.84Å; V106-L108 VanDerWaalsContact C-N 3.26Å; V106-L108 WeakPolarHBondContact CG2-O 3.29Å
107L81.6Confident82.4Confident49 Ų4966.9 Ų66.926%0.25736%0.36SS..SBendtrans-79.1-14.2171.6-65.5180000112.6R86 T87 L101 T127 V128R86-L107 HydrophobicContact CB-CD1 4.35Å; T87-L107 HydrophobicContact CG2-CD1 3.56Å; T87-L107 HydrophobicContact CG2-CG 3.84Å; L101-L107 HydrophobicContact CD1-CD2 4.08Å; L101-L107 HydrophobicContact CD1-CG 3.98Å; L107-T127 CarbonylContact O-C 3.59Å; L107-T127 WeakPolarHBondContact O-CA 3.11Å; L107-V128 WeakPolarHBondContact O-CG2 3.34Å; L107-V128 PolarHBondContact O-N 2.92Å
108L83.5Confident82.3Confident8 Ų867.5 Ų67.54%0.04237%0.369CS..BIsolated β-bridgetrans-80.6130.1176-72.2171.2000110.1I89 V106 R110 I133 L135 L146I89-L108 HydrophobicContact CD1-CD1 4.01Å; V106-L108 VanDerWaalsContact C-N 3.26Å; V106-L108 WeakPolarHBondContact CG2-O 3.29Å; L108-R110 VanDerWaalsContact C-N 3.33Å; L108-I133 HydrophobicContact CD2-CD1 3.62Å; L108-I133 HydrophobicContact CG-CD1 4.39Å; L108-L135 HydrophobicContact CD1-CD2 4.2Å; L108-L135 HydrophobicContact CD2-CD1 4.33Å; L108-L135 HydrophobicContact CD2-CD2 4.44Å; L108-L146 HydrophobicContact CD1-CD1 4.45Å
109S81.5Confident82.3Confident67 Ų6767.6 Ų67.647%0.46937%0.369SS..SBendtrans-74.2-28.2172-64.60000111.6D126S109-D126 WeakPolarHBondContact CB-O 3.43Å; S109-D126 PolarHBondContact N-O 2.84Å
110R80.2Confident82.3Confident196 Ų19668.6 Ų68.674%0.7437%0.374SS*.SBendtrans-143.6141.6173.5-63.2-177.3-176.6-177.21.1109.1L108 P112L108-R110 VanDerWaalsContact C-N 3.33Å; R110-P112 VanDerWaalsContact O-CD 3.28Å; R110-P112 WeakPolarHBondContact O-CD 3.46Å
111I78.9Confident82.3Confident65 Ų6568.1 Ų68.133%0.33337%0.371SS..  trans-74.4115.1171.6-60.7171.4000107.1L91 V96 L146L91-I111 HydrophobicContact CD1-CD1 4.21Å; L91-I111 HydrophobicContact CD1-CG2 3.72Å; L91-I111 HydrophobicContact CD2-CD1 3.66Å; V96-I111 HydrophobicContact CG2-CD1 3.9Å; I111-L146 HydrophobicContact CG2-CD1 4.21Å
112P77Confident82.3Confident26 Ų2666 Ų6617%0.16936%0.36CS..PPolyproline II helixtrans-74.1148.3-176.929.1-31.7000111.2R110 F114 L120 L135R110-P112 VanDerWaalsContact O-CD 3.28Å; R110-P112 WeakPolarHBondContact O-CD 3.46Å; P112-F114 HydrophobicContact CG-CD2 4.42Å; P112-F114 HydrophobicContact CG-CE2 4Å; P112-F114 PolarHBondContact O-N 3.12Å; P112-L120 HydrophobicContact CB-CD2 3.45Å; P112-L120 VanDerWaalsContact CB-CD2 3.45Å; P112-L120 HydrophobicContact CG-CD2 3.58Å; P112-L135 HydrophobicContact CG-CD1 3.53Å
113V76.6Confident82.6Confident134 Ų13462.9 Ų62.981%0.81234%0.34SS*.PPolyproline II helixtrans-76.1118.5165.3-177.80000106.4
114F73.4Confident83Confident19 Ų1960.7 Ų60.78%0.08332%0.315CS..PPolyproline II helixtrans-79.8139.6175.1-78.5-114.6000108.7P112 L120 L135 Q137 R144 L146P112-F114 HydrophobicContact CG-CD2 4.42Å; P112-F114 HydrophobicContact CG-CE2 4Å; P112-F114 PolarHBondContact O-N 3.12Å; F114-L120 HydrophobicContact CD1-CB 3.78Å; F114-L120 HydrophobicContact CD2-CD2 4.49Å; F114-L120 HydrophobicContact CE1-CB 3.65Å; F114-L120 HydrophobicContact CG-CB 4.48Å; F114-L120 HydrophobicContact CZ-CB 4.26Å; F114-L135 HydrophobicContact CE1-CB 3.97Å; F114-L135 HydrophobicContact CE2-CD1 4.4Å; F114-L135 HydrophobicContact CZ-CB 3.58Å; F114-L135 HydrophobicContact CZ-CD1 4.05Å; F114-L135 HydrophobicContact CZ-CG 4.39Å; F114-Q137 HydrophobicContact CD1-CB 4.11Å; F114-Q137 HydrophobicContact CD1-CG 3.52Å; F114-Q137 VanDerWaalsContact CD1-NE2 3.3Å; F114-Q137 HydrophobicContact CE1-CB 3.72Å; F114-Q137 HydrophobicContact CE1-CG 3.6Å; F114-Q137 HydrophobicContact CE2-CB 4.39Å; F114-Q137 HydrophobicContact CG-CG 4.06Å; F114-Q137 VanDerWaalsContact CG-NE2 3.31Å; F114-Q137 HydrophobicContact CZ-CB 3.84Å; F114-Q137 HydrophobicContact CZ-CG 4.19Å; F114-R144 VanDerWaalsContact CD2-NH2 3.26Å; F114-L146 HydrophobicContact CD2-CD2 4.43Å; F114-L146 HydrophobicContact CE2-CD1 4.26Å; F114-L146 HydrophobicContact CE2-CD2 3.5Å; F114-L146 HydrophobicContact CZ-CD2 3.64Å
115P68Low83.5Confident66 Ų6663.1 Ų63.143%0.42933%0.327SS..  trans-59.7-177.7161.4-15.228.5000111.1S117P115-S117 PolarHBondContact O-N 2.67Å
116D68.1Low83.9Confident180 Ų18056.7 Ų56.796%0.96331%0.307SS*.SBendtrans-62.724.4171.3-64.5-38.5000114.3
117S78.3Confident84.1Confident14 Ų1454.7 Ų54.710%0.09830%0.295CS..SBendtrans-119.1147.8176.960.80000112.4P115 L119 Q137P115-S117 PolarHBondContact O-N 2.67Å; S117-L119 PolarHBondContact O-N 2.82Å; S117-L119 PolarHBondContact OG-O 3.24Å; S117-Q137 PolarHBondContact O-NE2 3.25Å
118N89.6Confident84.4Confident80 Ų8056.9 Ų56.943%0.42831%0.31SS..SBendtrans-78.7-0176.3-65.8-1.6000113.4Y136 Q137N118-Y136 HydrophobicContact CB-CE2 4.33Å; N118-Y136 CarbonylContact O-C 3.59Å; N118-Y136 WeakPolarHBondContact O-CA 3.32Å; N118-Q137 HydrophobicContact CB-CG 4.35Å; N118-Q137 PolarHBondContact O-N 3.09Å
119L94.6Very high84.6Confident2 Ų260.3 Ų60.31%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-124.8143.8-178-64.2178.1000110.3L49 S117 L134 L135 Y136 V171 F202L49-L119 HydrophobicContact CD1-CD1 3.81Å; L49-L119 HydrophobicContact CD1-CD2 3.93Å; L49-L119 HydrophobicContact CD2-CD2 3.48Å; L49-L119 VanDerWaalsContact CD2-CD2 3.48Å; L49-L119 HydrophobicContact CG-CD2 4.36Å; S117-L119 PolarHBondContact O-N 2.82Å; S117-L119 PolarHBondContact OG-O 3.24Å; L119-L134 HydrophobicContact CB-CD1 4.48Å; L119-L134 HydrophobicContact CD2-CD1 4.36Å; L119-L135 WeakPolarHBondContact CA-O 3.4Å; L119-Y136 HydrophobicContact CD2-CD2 3.78Å; L119-V171 HydrophobicContact CB-CG1 3.51Å; L119-V171 HydrophobicContact CB-CG2 4.45Å; L119-V171 WeakPolarHBondContact O-CG1 3.35Å; L119-F202 HydrophobicContact CD1-CB 4.07Å; L119-F202 HydrophobicContact CD1-CD1 4.03Å
120L94.1Very high85Confident21 Ų2164.6 Ų64.611%0.1133%0.334CS..EExtended strand (participates in β ladder)trans-146.3134.4171.8-178.470000109.9P112 F114 L135P112-L120 HydrophobicContact CB-CD2 3.45Å; P112-L120 VanDerWaalsContact CB-CD2 3.45Å; P112-L120 HydrophobicContact CG-CD2 3.58Å; F114-L120 HydrophobicContact CD1-CB 3.78Å; F114-L120 HydrophobicContact CD2-CD2 4.49Å; F114-L120 HydrophobicContact CE1-CB 3.65Å; F114-L120 HydrophobicContact CG-CB 4.48Å; F114-L120 HydrophobicContact CZ-CB 4.26Å; L120-L135 HydrophobicContact CB-CB 4.4Å; L120-L135 HydrophobicContact CD2-CD1 4.19Å; L120-L135 PolarHBondContact N-O 2.91Å; L120-L135 VanDerWaalsContact N-O 3.08Å; L120-L135 PolarHBondContact O-N 3.35Å
121L93.7Very high85.5Confident3 Ų358.7 Ų58.72%0.01632%0.317CS..EExtended strand (participates in β ladder)trans-89.3117.9166.8-74.2170.3000108.4L134 L169 V171 D174 I176 V182L121-L134 HydrophobicContact CD2-CB 4.2Å; L121-L134 HydrophobicContact CD2-CD1 3.88Å; L121-L134 HydrophobicContact CG-CD1 4.29Å; L121-L169 HydrophobicContact CD2-CD2 4.34Å; L121-V171 HydrophobicContact CD1-CB 4.03Å; L121-V171 HydrophobicContact CD1-CG2 4.05Å; L121-V171 HydrophobicContact CG-CB 4.01Å; L121-V171 HydrophobicContact CG-CG2 3.96Å; L121-D174 HydrophobicContact CB-CB 4.11Å; L121-D174 HydrophobicContact CD1-CB 4.27Å; L121-I176 HydrophobicContact CD1-CB 4.24Å; L121-I176 HydrophobicContact CD1-CG2 3.89Å; L121-I176 HydrophobicContact CD2-CB 4.32Å; L121-I176 HydrophobicContact CD2-CG2 3.65Å; L121-I176 HydrophobicContact CG-CG2 4.45Å; L121-V182 HydrophobicContact CB-CG1 3.78Å; L121-V182 HydrophobicContact CB-CG2 3.94Å
122A92.3Very high86.2Confident2 Ų255.8 Ų55.82%0.01730%0.303CS..EExtended strand (participates in β ladder)trans-99.7128.3175.800000109.9P132 I133 L135A122-P132 WeakPolarHBondContact O-CA 3.43Å; A122-I133 HydrophobicContact CB-CG1 3.85Å; A122-I133 PolarHBondContact N-O 3.2Å; A122-I133 PolarHBondContact O-N 3.42Å; A122-I133 VanDerWaalsContact O-N 3.09Å; A122-L135 HydrophobicContact CB-CD1 4.07Å
123P92.8Very high87Confident31 Ų3155 Ų5520%0.20130%0.297CS..PPolyproline II helixtrans-67.2161.517829.2-35.5000111.7I125 D126 D181 V182P123-I125 HydrophobicContact CB-CG2 4.16Å; P123-I125 HydrophobicContact CG-CG2 3.84Å; P123-I125 PolarHBondContact O-N 2.62Å; P123-I125 VanDerWaalsContact O-N 3.1Å; P123-D126 WeakPolarHBondContact CD-OD2 2.92Å; P123-D126 HydrophobicContact CG-CB 4.49Å; P123-D126 WeakPolarHBondContact CG-OD2 3.41Å; P123-D126 PolarHBondContact O-N 3.11Å; P123-D181 WeakPolarHBondContact CA-OD1 3.17Å; P123-V182 HydrophobicContact CB-CB 4.2Å
124A91.9Very high87.9Confident16 Ų1648.7 Ų48.713%0.13226%0.258CS..G310 helixtrans-56.5-28.6178.500000113.5D126 T127 R130 D181A124-D126 PolarHBondContact O-N 3Å; A124-T127 PolarHBondContact O-N 2.81Å; A124-T127 PolarHBondContact O-OG1 3.27Å; A124-R130 WeakPolarHBondContact CB-O 3.11Å; A124-R130 WeakPolarHBondContact O-CA 3.19Å; A124-D181 VanDerWaalsContact CB-OD2 3.31Å; A124-D181 WeakPolarHBondContact CB-OD2 3.45Å; A124-D181 PolarHBondContact N-OD1 2.94Å; A124-D181 PolarHBondContact N-OD2 2.81Å
125I90.5Very high88.9Confident113 Ų11347.8 Ų47.858%0.57926%0.255SS*.G310 helixtrans-64.8-25.5179-167.4164.1000112.9P123 T127 R130P123-I125 HydrophobicContact CB-CG2 4.16Å; P123-I125 HydrophobicContact CG-CG2 3.84Å; P123-I125 PolarHBondContact O-N 2.62Å; P123-I125 VanDerWaalsContact O-N 3.1Å; I125-T127 VanDerWaalsContact C-N 3.34Å; I125-R130 PolarHBondContact O-NH1 2.77Å
126D89.6Confident90.2Very high55 Ų5545.3 Ų45.329%0.29424%0.237SC..G310 helixtrans-89.71.6-177.4-68.8-25.7000113.2S109 P123 A124S109-D126 WeakPolarHBondContact CB-O 3.43Å; S109-D126 PolarHBondContact N-O 2.84Å; P123-D126 WeakPolarHBondContact CD-OD2 2.92Å; P123-D126 HydrophobicContact CG-CB 4.49Å; P123-D126 WeakPolarHBondContact CG-OD2 3.41Å; P123-D126 PolarHBondContact O-N 3.11Å; A124-D126 PolarHBondContact O-N 3Å
127T89.5Confident91.4Very high1 Ų137.6 Ų37.61%0.00620%0.195CC..BIsolated β-bridgetrans-118146.1179.567.20000112.1L107 A124 I125 N129 R130 L131 I133L107-T127 CarbonylContact O-C 3.59Å; L107-T127 WeakPolarHBondContact O-CA 3.11Å; A124-T127 PolarHBondContact O-N 2.81Å; A124-T127 PolarHBondContact O-OG1 3.27Å; I125-T127 VanDerWaalsContact C-N 3.34Å; T127-N129 VanDerWaalsContact C-N 3.29Å; T127-N129 WeakPolarHBondContact CB-OD1 3.27Å; T127-N129 PolarHBondContact O-N 2.88Å; T127-N129 PolarHBondContact OG1-OD1 3.28Å; T127-R130 PolarHBondContact O-N 2.86Å; T127-R130 PolarHBondContact OG1-N 2.87Å; T127-L131 WeakPolarHBondContact CB-O 3.46Å; T127-L131 WeakPolarHBondContact CG2-O 3.21Å; T127-L131 PolarHBondContact OG1-N 3.11Å; T127-L131 PolarHBondContact OG1-O 2.8Å; T127-I133 HydrophobicContact CG2-CD1 3.85Å; T127-I133 HydrophobicContact CG2-CG1 3.87Å; T127-I133 HydrophobicContact CG2-CG2 4.25Å
128V87.6Confident92Very high95 Ų9539.1 Ų39.158%0.57620%0.202SC*.THydrogen-bonded Turntrans-63.1-38.3-177.71740000111.3L107 R130L107-V128 WeakPolarHBondContact O-CG2 3.34Å; L107-V128 PolarHBondContact O-N 2.92Å; V128-R130 VanDerWaalsContact C-N 3.3Å; V128-R130 PolarHBondContact O-N 2.86Å
129N87.8Confident92Very high80 Ų8040.8 Ų40.843%0.42821%0.207SC..THydrogen-bonded Turntrans-86.85.2-179.465.6-18.2000113.8T127 L131T127-N129 VanDerWaalsContact C-N 3.29Å; T127-N129 WeakPolarHBondContact CB-OD1 3.27Å; T127-N129 PolarHBondContact O-N 2.88Å; T127-N129 PolarHBondContact OG1-OD1 3.28Å; N129-L131 VanDerWaalsContact C-N 3.25Å; N129-L131 PolarHBondContact O-N 2.87Å
130R90.7Very high91.7Very high157 Ų15746.9 Ų46.959%0.59223%0.234SC*.SBendtrans56.536.8-179.4-56.9-59.3-165.8-173.43.8113.9A124 I125 T127 V128A124-R130 WeakPolarHBondContact CB-O 3.11Å; A124-R130 WeakPolarHBondContact O-CA 3.19Å; I125-R130 PolarHBondContact O-NH1 2.77Å; T127-R130 PolarHBondContact O-N 2.86Å; T127-R130 PolarHBondContact OG1-N 2.87Å; V128-R130 VanDerWaalsContact C-N 3.3Å; V128-R130 PolarHBondContact O-N 2.86Å
131L90.4Very high91.3Very high72 Ų7249.5 Ų49.538%0.37726%0.258SS..  trans-119.5138.7172.4-66178.3000110.1T127 N129T127-L131 WeakPolarHBondContact CB-O 3.46Å; T127-L131 WeakPolarHBondContact CG2-O 3.21Å; T127-L131 PolarHBondContact OG1-N 3.11Å; T127-L131 PolarHBondContact OG1-O 2.8Å; N129-L131 VanDerWaalsContact C-N 3.25Å; N129-L131 PolarHBondContact O-N 2.87Å
132P93.1Very high90.9Very high5 Ų555.7 Ų55.73%0.03229%0.291CS..  trans-65156.2174.320.3-20.7000110.6A122 D151 I176 D181 V182A122-P132 WeakPolarHBondContact O-CA 3.43Å; P132-D151 HydrophobicContact CB-CB 4.45Å; P132-D151 HydrophobicContact CG-CB 3.76Å; P132-D151 VanDerWaalsContact O-CB 3.32Å; P132-D151 WeakPolarHBondContact O-CB 3.34Å; P132-D151 PolarHBondContact O-N 3.49Å; P132-I176 HydrophobicContact CB-CD1 4.04Å; P132-I176 HydrophobicContact CG-CD1 3.98Å; P132-D181 VanDerWaalsContact CB-OD1 3.32Å; P132-D181 WeakPolarHBondContact CB-OD1 3.45Å; P132-V182 HydrophobicContact CB-CG2 3.87Å
133I93.9Very high90.9Very high10 Ų1056.4 Ų56.45%0.05130%0.296CS..EExtended strand (participates in β ladder)trans-140.7152176.959.6174000110.7L108 A122 T127 L135 T148 I149L108-I133 HydrophobicContact CD2-CD1 3.62Å; L108-I133 HydrophobicContact CG-CD1 4.39Å; A122-I133 HydrophobicContact CB-CG1 3.85Å; A122-I133 PolarHBondContact N-O 3.2Å; A122-I133 PolarHBondContact O-N 3.42Å; A122-I133 VanDerWaalsContact O-N 3.09Å; T127-I133 HydrophobicContact CG2-CD1 3.85Å; T127-I133 HydrophobicContact CG2-CG1 3.87Å; T127-I133 HydrophobicContact CG2-CG2 4.25Å; I133-L135 HydrophobicContact CD1-CD2 3.73Å; I133-L135 HydrophobicContact CD1-CG 4.05Å; I133-L135 HydrophobicContact CG1-CD2 4.46Å; I133-L135 HydrophobicContact CG1-CG 4.29Å; I133-T148 HydrophobicContact CD1-CG2 3.99Å; I133-I149 VanDerWaalsContact CA-O 3.31Å; I133-I149 WeakPolarHBondContact CA-O 3.44Å; I133-I149 VanDerWaalsContact CB-O 3.32Å; I133-I149 WeakPolarHBondContact CB-O 3.41Å
134L95.3Very high90.8Very high1 Ų157.7 Ų57.71%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-94.7127.8163.2176.165.3000107.8L49 L119 L121 I149 I154 L169 V171L49-L134 HydrophobicContact CD2-CD2 3.92Å; L119-L134 HydrophobicContact CB-CD1 4.48Å; L119-L134 HydrophobicContact CD2-CD1 4.36Å; L121-L134 HydrophobicContact CD2-CB 4.2Å; L121-L134 HydrophobicContact CD2-CD1 3.88Å; L121-L134 HydrophobicContact CG-CD1 4.29Å; L134-I149 HydrophobicContact CB-CB 4.26Å; L134-I149 HydrophobicContact CD2-CD1 4.16Å; L134-I149 HydrophobicContact CG-CD1 4.28Å; L134-I149 PolarHBondContact N-O 2.87Å; L134-I149 WeakPolarHBondContact O-CB 3.12Å; L134-I149 PolarHBondContact O-N 3.25Å; L134-I154 HydrophobicContact CB-CD1 3.36Å; L134-I154 HydrophobicContact CB-CG1 4.2Å; L134-I154 HydrophobicContact CD2-CD1 4.49Å; L134-L169 HydrophobicContact CD2-CD2 4.26Å; L134-V171 HydrophobicContact CD1-CG2 4.08Å
135L94.5Very high90.9Very high0 Ų057 Ų570%029%0.291CS..EExtended strand (participates in β ladder)trans-102.2130.2174.9-65.9164.4000109.4L108 P112 F114 L119 L120 A122 I133 V147 T148L108-L135 HydrophobicContact CD1-CD2 4.2Å; L108-L135 HydrophobicContact CD2-CD1 4.33Å; L108-L135 HydrophobicContact CD2-CD2 4.44Å; P112-L135 HydrophobicContact CG-CD1 3.53Å; F114-L135 HydrophobicContact CE1-CB 3.97Å; F114-L135 HydrophobicContact CE2-CD1 4.4Å; F114-L135 HydrophobicContact CZ-CB 3.58Å; F114-L135 HydrophobicContact CZ-CD1 4.05Å; F114-L135 HydrophobicContact CZ-CG 4.39Å; L119-L135 WeakPolarHBondContact CA-O 3.4Å; L120-L135 HydrophobicContact CB-CB 4.4Å; L120-L135 HydrophobicContact CD2-CD1 4.19Å; L120-L135 PolarHBondContact N-O 2.91Å; L120-L135 VanDerWaalsContact N-O 3.08Å; L120-L135 PolarHBondContact O-N 3.35Å; A122-L135 HydrophobicContact CB-CD1 4.07Å; I133-L135 HydrophobicContact CD1-CD2 3.73Å; I133-L135 HydrophobicContact CD1-CG 4.05Å; I133-L135 HydrophobicContact CG1-CD2 4.46Å; I133-L135 HydrophobicContact CG1-CG 4.29Å; L135-V147 WeakPolarHBondContact CA-O 3.24Å; L135-T148 HydrophobicContact CD2-CG2 3.62Å
136Y95.3Very high91.1Very high13 Ų1351.6 Ų51.65%0.05126%0.263CS..EExtended strand (participates in β ladder)trans-104.7131.7164.3177.6-101.8000108.6L49 A52 S53 T56 N118 L119 N138 L146 V147 Y200L49-Y136 HydrophobicContact CD2-CD2 4.29Å; A52-Y136 HydrophobicContact CB-CD1 3.96Å; A52-Y136 HydrophobicContact CB-CG 4.04Å; S53-Y136 PolarHBondContact OG-OH 3.26Å; T56-Y136 HydrophobicContact CG2-CD1 3.87Å; T56-Y136 HydrophobicContact CG2-CE1 3.65Å; N118-Y136 HydrophobicContact CB-CE2 4.33Å; N118-Y136 CarbonylContact O-C 3.59Å; N118-Y136 WeakPolarHBondContact O-CA 3.32Å; L119-Y136 HydrophobicContact CD2-CD2 3.78Å; Y136-N138 HydrophobicContact CE1-CB 4.2Å; Y136-L146 WeakPolarHBondContact O-CA 3.42Å; Y136-V147 PolarHBondContact N-O 2.89Å; Y136-V147 PolarHBondContact O-N 2.75Å; Y136-Y200 HydrophobicContact CE2-CD1 4.18Å; Y136-Y200 AromaticContact CE2-CE1 3.89Å; Y136-Y200 HydrophobicContact CE2-CE1 3.89Å
137Q93Very high91.4Very high18 Ų1849 Ų498%0.08425%0.249CC..EExtended strand (participates in β ladder)trans-116.1145.8172.968.7168-10.400111.8F114 S117 N118 I145 L146F114-Q137 HydrophobicContact CD1-CB 4.11Å; F114-Q137 HydrophobicContact CD1-CG 3.52Å; F114-Q137 VanDerWaalsContact CD1-NE2 3.3Å; F114-Q137 HydrophobicContact CE1-CB 3.72Å; F114-Q137 HydrophobicContact CE1-CG 3.6Å; F114-Q137 HydrophobicContact CE2-CB 4.39Å; F114-Q137 HydrophobicContact CG-CG 4.06Å; F114-Q137 VanDerWaalsContact CG-NE2 3.31Å; F114-Q137 HydrophobicContact CZ-CB 3.84Å; F114-Q137 HydrophobicContact CZ-CG 4.19Å; S117-Q137 PolarHBondContact O-NE2 3.25Å; N118-Q137 HydrophobicContact CB-CG 4.35Å; N118-Q137 PolarHBondContact O-N 3.09Å; Q137-I145 VanDerWaalsContact CA-O 3.3Å; Q137-I145 WeakPolarHBondContact CA-O 3.38Å; Q137-L146 HydrophobicContact CB-CD2 3.54Å
138N92.1Very high91.6Very high46 Ų4649 Ų4925%0.24625%0.249CC..EExtended strand (participates in β ladder)trans-134.2134.9166.1-166.95.9000108.6T56 Y136 I145T56-N138 HydrophobicContact CG2-CB 3.84Å; T56-N138 PolarHBondContact OG1-ND2 2.82Å; Y136-N138 HydrophobicContact CE1-CB 4.2Å; N138-I145 PolarHBondContact N-O 3.15Å; N138-I145 PolarHBondContact O-N 3.42Å
139Q89.8Confident92Very high116 Ų11644.4 Ų44.454%0.54222%0.221SC..EExtended strand (participates in β ladder)trans-112.8127.5-179.9-177.8153.10.600110.1A141 R144Q139-A141 PolarHBondContact NE2-O 2.85Å; Q139-R144 HydrophobicContact CB-CG 4.24Å; Q139-R144 HydrophobicContact CG-CG 3.95Å
140F87.5Confident92Very high129 Ų12941.2 Ų41.257%0.56621%0.205SC*.EExtended strand (participates in β ladder)trans-129.8108.3177.7-175.2-96.1000108.9V60 D142 T143V60-F140 HydrophobicContact CG1-CD1 4Å; V60-F140 HydrophobicContact CG1-CD2 4.49Å; V60-F140 HydrophobicContact CG1-CE1 4.15Å; V60-F140 HydrophobicContact CG1-CG 4.18Å; V60-F140 HydrophobicContact CG1-CZ 4.47Å; V60-F140 HydrophobicContact CG2-CB 4.16Å; V60-F140 HydrophobicContact CG2-CG 4.33Å; F140-D142 PolarHBondContact O-N 2.99Å; F140-T143 PolarHBondContact N-O 2.89Å; F140-T143 WeakPolarHBondContact O-CB 3.45Å; F140-T143 PolarHBondContact O-N 3.35Å
141A85.6Confident92Very high76 Ų7634.6 Ų34.663%0.62818%0.181SC*.THydrogen-bonded Turntrans50.6-126.5-169.100000111.4Q139 T143Q139-A141 PolarHBondContact NE2-O 2.85Å; A141-T143 VanDerWaalsContact C-N 3.26Å; A141-T143 PolarHBondContact O-N 2.96Å
142D86.7Confident92.1Very high133 Ų13337.3 Ų37.371%0.71119%0.192SC*.THydrogen-bonded Turntrans-85.96.2179-61.2-34000113.7F140F140-D142 PolarHBondContact O-N 2.99Å
143T90.6Very high92.1Very high18 Ų1839 Ų3911%0.1120%0.199CC..EExtended strand (participates in β ladder)trans-104.3127.5179.2-57.30000110.5A63 I90 L91 K92 F140 A141 I145A63-T143 HydrophobicContact CB-CG2 3.89Å; I90-T143 HydrophobicContact CG2-CG2 3.46Å; I90-T143 VanDerWaalsContact CG2-CG2 3.46Å; L91-T143 WeakPolarHBondContact O-CA 3.08Å; K92-T143 HydrophobicContact CG-CG2 4.39Å; F140-T143 PolarHBondContact N-O 2.89Å; F140-T143 WeakPolarHBondContact O-CB 3.45Å; F140-T143 PolarHBondContact O-N 3.35Å; A141-T143 VanDerWaalsContact C-N 3.26Å; A141-T143 PolarHBondContact O-N 2.96Å; T143-I145 HydrophobicContact CG2-CG1 4.36Å
144R91.8Very high92.1Very high58 Ų5838.5 Ų38.522%0.21920%0.197CC..EExtended strand (participates in β ladder)trans-108.5127.8172-70.7175.463.5-157.2-2.2109.5L91 F114 Q139L91-R144 HydrophobicContact CB-CB 4.21Å; L91-R144 WeakPolarHBondContact CB-O 3.45Å; L91-R144 PolarHBondContact N-O 3.38Å; L91-R144 PolarHBondContact O-N 3.39Å; F114-R144 VanDerWaalsContact CD2-NH2 3.26Å; Q139-R144 HydrophobicContact CB-CG 4.24Å; Q139-R144 HydrophobicContact CG-CG 3.95Å
145I94Very high92Very high1 Ų140.5 Ų40.51%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-107.2124.2177.1-61.4161.3000107.5T56 A59 V60 I88 I89 Q137 N138 T143 V147T56-I145 HydrophobicContact CG2-CB 4.4Å; T56-I145 HydrophobicContact CG2-CG2 3.82Å; A59-I145 HydrophobicContact CB-CD1 3.76Å; A59-I145 HydrophobicContact CB-CG1 4.06Å; A59-I145 HydrophobicContact CB-CG2 3.69Å; V60-I145 HydrophobicContact CB-CD1 4.28Å; V60-I145 HydrophobicContact CG2-CD1 3.4Å; I88-I145 HydrophobicContact CG2-CG2 3.96Å; I89-I145 CarbonylContact O-C 3.57Å; I89-I145 WeakPolarHBondContact O-CA 3.45Å; Q137-I145 VanDerWaalsContact CA-O 3.3Å; Q137-I145 WeakPolarHBondContact CA-O 3.38Å; N138-I145 PolarHBondContact N-O 3.15Å; N138-I145 PolarHBondContact O-N 3.42Å; T143-I145 HydrophobicContact CG2-CG1 4.36Å; I145-V147 HydrophobicContact CG2-CG2 4.44Å
146L94.2Very high92Very high0 Ų042.8 Ų42.80%023%0.228CC..EExtended strand (participates in β ladder)trans-110.8132.2175-53.3-177.7000109.4I88 I89 L91 L108 I111 F114 Y136 Q137I88-L146 CarbonylContact C-O 3.32Å; I88-L146 WeakPolarHBondContact CA-O 3.47Å; I89-L146 HydrophobicContact CB-CB 4.23Å; I89-L146 PolarHBondContact N-O 2.78Å; I89-L146 PolarHBondContact O-N 2.74Å; L91-L146 HydrophobicContact CD1-CD1 3.67Å; L91-L146 HydrophobicContact CD1-CG 4.06Å; L91-L146 HydrophobicContact CG-CD1 4.48Å; L108-L146 HydrophobicContact CD1-CD1 4.45Å; I111-L146 HydrophobicContact CG2-CD1 4.21Å; F114-L146 HydrophobicContact CD2-CD2 4.43Å; F114-L146 HydrophobicContact CE2-CD1 4.26Å; F114-L146 HydrophobicContact CE2-CD2 3.5Å; F114-L146 HydrophobicContact CZ-CD2 3.64Å; Y136-L146 WeakPolarHBondContact O-CA 3.42Å; Q137-L146 HydrophobicContact CB-CD2 3.54Å
147V95.3Very high92Very high0 Ų042.5 Ų42.50%023%0.228CC..EExtended strand (participates in β ladder)trans-117.5124.8173.7-177.70000108.2A52 T56 L85 T87 I88 L135 Y136 I145A52-V147 HydrophobicContact CB-CB 4.17Å; A52-V147 HydrophobicContact CB-CG1 3.83Å; T56-V147 HydrophobicContact CG2-CG2 3.73Å; L85-V147 HydrophobicContact CB-CG1 4.38Å; L85-V147 HydrophobicContact CD1-CG1 3.78Å; L85-V147 HydrophobicContact CD2-CG1 3.6Å; L85-V147 HydrophobicContact CG-CG1 4.1Å; T87-V147 WeakPolarHBondContact O-CA 3.26Å; I88-V147 HydrophobicContact CG1-CG2 4.39Å; I88-V147 HydrophobicContact CG2-CG2 4.27Å; L135-V147 WeakPolarHBondContact CA-O 3.24Å; Y136-V147 PolarHBondContact N-O 2.89Å; Y136-V147 PolarHBondContact O-N 2.75Å; I145-V147 HydrophobicContact CG2-CG2 4.44Å
148T94.4Very high92.1Very high0 Ų041.8 Ų41.80%023%0.225CC..EExtended strand (participates in β ladder)trans-97129.4179.368.40000110.3R86 T87 I89 I133 L135R86-T148 WeakPolarHBondContact CB-OG1 3.4Å; R86-T148 PolarHBondContact N-O 2.68Å; T87-T148 PolarHBondContact N-OG1 2.85Å; T87-T148 PolarHBondContact O-N 3.02Å; T87-T148 PolarHBondContact O-OG1 3Å; T87-T148 WeakPolarHBondContact OG1-CG2 3.06Å; T87-T148 PolarHBondContact OG1-OG1 3.02Å; I89-T148 HydrophobicContact CD1-CG2 4.36Å; I133-T148 HydrophobicContact CD1-CG2 3.99Å; L135-T148 HydrophobicContact CD2-CG2 3.62Å
149I95Very high92.2Very high0 Ų045.2 Ų45.20%024%0.243CC..EExtended strand (participates in β ladder)trans-112.8129.2174.2-63.1148.7000108.3I48 L49 A52 L85 I133 L134 H153 I154I48-I149 HydrophobicContact CG2-CB 4.48Å; I48-I149 HydrophobicContact CG2-CD1 3.83Å; I48-I149 HydrophobicContact CG2-CG1 4.03Å; I48-I149 HydrophobicContact CG2-CG2 3.64Å; L49-I149 HydrophobicContact CD2-CD1 3.8Å; A52-I149 HydrophobicContact CB-CD1 4.17Å; L85-I149 HydrophobicContact CD2-CG1 3.87Å; I133-I149 VanDerWaalsContact CA-O 3.31Å; I133-I149 WeakPolarHBondContact CA-O 3.44Å; I133-I149 VanDerWaalsContact CB-O 3.32Å; I133-I149 WeakPolarHBondContact CB-O 3.41Å; L134-I149 HydrophobicContact CB-CB 4.26Å; L134-I149 HydrophobicContact CD2-CD1 4.16Å; L134-I149 HydrophobicContact CG-CD1 4.28Å; L134-I149 PolarHBondContact N-O 2.87Å; L134-I149 WeakPolarHBondContact O-CB 3.12Å; L134-I149 PolarHBondContact O-N 3.25Å; I149-H153 HydrophobicContact CG2-CB 4.43Å; I149-I154 HydrophobicContact CG2-CG1 4.15Å
150S89.3Confident92.4Very high13 Ų1340.5 Ų40.59%0.09122%0.223CC..EExtended strand (participates in β ladder)trans-70.4145.1179.5160.60000112.2Q152 H153S150-Q152 PolarHBondContact O-N 2.92Å; S150-Q152 PolarHBondContact OG-N 2.83Å; S150-H153 PolarHBondContact O-N 2.97Å; S150-H153 VanDerWaalsContact O-N 3.16Å
151D90.1Very high92.7Very high17 Ų1740.3 Ų40.39%0.09123%0.234CC..Hα-helixtrans-50.7-35.7172.573.6-52.4000114.5P132 H153 I154 R155 I176P132-D151 HydrophobicContact CB-CB 4.45Å; P132-D151 HydrophobicContact CG-CB 3.76Å; P132-D151 VanDerWaalsContact O-CB 3.32Å; P132-D151 WeakPolarHBondContact O-CB 3.34Å; P132-D151 PolarHBondContact O-N 3.49Å; D151-H153 PolarHBondContact O-N 3.28Å; D151-I154 PolarHBondContact O-N 3.32Å; D151-I154 VanDerWaalsContact O-N 3.11Å; D151-R155 WeakPolarHBondContact O-CB 3.23Å; D151-R155 VanDerWaalsContact O-CG 3.27Å; D151-R155 WeakPolarHBondContact O-CG 3.33Å; D151-R155 PolarHBondContact O-N 3.13Å; D151-R155 IonicContact OD2-CZ 3.51Å; D151-R155 IonicContact OD2-NE 2.74Å; D151-R155 PolarHBondContact OD2-NE 3.39Å; D151-R155 IonicContact OD2-NH2 3.85Å; D151-R155 PolarHBondContact OD2-NH2 3Å; D151-I176 HydrophobicContact CB-CD1 4.43Å
152Q91.9Very high93Very high130 Ų13039.1 Ų39.161%0.60722%0.217SC*.Hα-helixtrans-56.1-40.1-179.5-174-178.8-2.800111.9S150 G156S150-Q152 PolarHBondContact O-N 2.92Å; S150-Q152 PolarHBondContact OG-N 2.83Å; Q152-G156 PolarHBondContact O-N 3.34Å
153H92.7Very high93Very high39 Ų3941.2 Ų41.218%0.18122%0.22CC..Hα-helixtrans-73.8-37.6179.2-59.3-63.4000111.8I48 P83 H84 R86 I149 S150 D151 G156 A157I48-H153 HydrophobicContact CD1-CB 4.23Å; P83-H153 PolarHBondContact O-CE1 3.4Å; P83-H153 PolarHBondContact O-NE2 3.14Å; H84-H153 HydrophobicContact CB-CB 4.34Å; H84-H153 AromaticContact CD2-CG 3.74Å; H84-H153 AromaticContact CD2-ND1 3.51Å; H84-H153 PolarHBondContact O-CD2 2.93Å; R86-H153 PolarHBondContact NH2-NE2 3.06Å; I149-H153 HydrophobicContact CG2-CB 4.43Å; S150-H153 PolarHBondContact O-N 2.97Å; S150-H153 VanDerWaalsContact O-N 3.16Å; D151-H153 PolarHBondContact O-N 3.28Å; H153-G156 PolarHBondContact O-N 3.29Å; H153-A157 WeakPolarHBondContact O-CB 3.47Å; H153-A157 PolarHBondContact O-N 2.81Å
154I94.2Very high92.9Very high0 Ų043.3 Ų43.30%024%0.244CC..Hα-helixtrans-63.4-49.7175.3-55.2168.5000109.9I45 L134 I149 D151 G156 A157 L158 L169 I176I45-I154 HydrophobicContact CD1-CG2 4.1Å; L134-I154 HydrophobicContact CB-CD1 3.36Å; L134-I154 HydrophobicContact CB-CG1 4.2Å; L134-I154 HydrophobicContact CD2-CD1 4.49Å; I149-I154 HydrophobicContact CG2-CG1 4.15Å; D151-I154 PolarHBondContact O-N 3.32Å; D151-I154 VanDerWaalsContact O-N 3.11Å; I154-G156 VanDerWaalsContact C-N 3.32Å; I154-G156 PolarHBondContact O-N 3.05Å; I154-A157 WeakPolarHBondContact O-CB 3.26Å; I154-A157 PolarHBondContact O-N 3.44Å; I154-A157 VanDerWaalsContact O-N 3.17Å; I154-L158 HydrophobicContact CG2-CD1 4.14Å; I154-L158 WeakPolarHBondContact O-CG 3.33Å; I154-L158 PolarHBondContact O-N 3.39Å; I154-L169 HydrophobicContact CG2-CD2 3.74Å; I154-I176 HydrophobicContact CG2-CG2 3.88Å
155R93.8Very high93Very high44 Ų4441.1 Ų41.117%0.16624%0.238CC..Hα-helixtrans-62.1-41.4178.2-67.5176.8-162-70.73.6111.2D151 A157 L158 N159 G177 P178 T179 G180D151-R155 WeakPolarHBondContact O-CB 3.23Å; D151-R155 VanDerWaalsContact O-CG 3.27Å; D151-R155 WeakPolarHBondContact O-CG 3.33Å; D151-R155 PolarHBondContact O-N 3.13Å; D151-R155 IonicContact OD2-CZ 3.51Å; D151-R155 IonicContact OD2-NE 2.74Å; D151-R155 PolarHBondContact OD2-NE 3.39Å; D151-R155 IonicContact OD2-NH2 3.85Å; D151-R155 PolarHBondContact OD2-NH2 3Å; R155-A157 VanDerWaalsContact C-N 3.34Å; R155-A157 PolarHBondContact O-N 3.42Å; R155-L158 PolarHBondContact O-N 2.81Å; R155-N159 WeakPolarHBondContact O-CB 3.29Å; R155-N159 PolarHBondContact O-N 3.36Å; R155-G177 PolarHBondContact NH1-O 3.07Å; R155-G177 VanDerWaalsContact NH1-O 3.14Å; R155-P178 WeakPolarHBondContact CD-O 3.42Å; R155-P178 PolarHBondContact NH1-O 2.71Å; R155-T179 VanDerWaalsContact NH1-CA 3.33Å; R155-G180 PolarHBondContact NH1-O 3.43Å; R155-G180 PolarHBondContact NH2-O 3.4Å
156G94.1Very high92.9Very high47 Ų4748.7 Ų48.749%0.48527%0.266SS..Hα-helixtrans-57.7-45.2173.100000112.3Q152 H153 I154 L158 N159Q152-G156 PolarHBondContact O-N 3.34Å; H153-G156 PolarHBondContact O-N 3.29Å; I154-G156 VanDerWaalsContact C-N 3.32Å; I154-G156 PolarHBondContact O-N 3.05Å; G156-L158 VanDerWaalsContact C-N 3.33Å; G156-L158 PolarHBondContact O-N 3.17Å; G156-N159 PolarHBondContact O-N 3.34Å
157A95.3Very high93Very high7 Ų748.9 Ų48.96%0.05827%0.267CS..Hα-helixtrans-65.8-32177.500000113.6A41 N44 I45 I48 H153 I154 R155A41-A157 WeakPolarHBondContact CA-O 3.4Å; N44-A157 HydrophobicContact CB-CB 3.64Å; I45-A157 HydrophobicContact CD1-CB 3.54Å; I45-A157 HydrophobicContact CG1-CB 4.09Å; I48-A157 HydrophobicContact CD1-CB 3.94Å; H153-A157 WeakPolarHBondContact O-CB 3.47Å; H153-A157 PolarHBondContact O-N 2.81Å; I154-A157 WeakPolarHBondContact O-CB 3.26Å; I154-A157 PolarHBondContact O-N 3.44Å; I154-A157 VanDerWaalsContact O-N 3.17Å; R155-A157 VanDerWaalsContact C-N 3.34Å; R155-A157 PolarHBondContact O-N 3.42Å
158L96.1Very high92.9Very high3 Ų349.1 Ų49.12%0.01627%0.269CS..Hα-helixtrans-81.9-16.7176.2-65.8175.7000113.6A41 I154 R155 G156 V160 L169 I176 I204A41-L158 HydrophobicContact CB-CD2 4.37Å; I154-L158 HydrophobicContact CG2-CD1 4.14Å; I154-L158 WeakPolarHBondContact O-CG 3.33Å; I154-L158 PolarHBondContact O-N 3.39Å; R155-L158 PolarHBondContact O-N 2.81Å; G156-L158 VanDerWaalsContact C-N 3.33Å; G156-L158 PolarHBondContact O-N 3.17Å; L158-V160 VanDerWaalsContact C-N 3.29Å; L158-V160 PolarHBondContact O-N 3.41Å; L158-L169 HydrophobicContact CD1-CB 3.98Å; L158-L169 HydrophobicContact CD2-CB 4.19Å; L158-I176 WeakPolarHBondContact CD1-O 3.47Å; L158-I204 HydrophobicContact CD2-CD1 3.75Å
159N94.3Very high93Very high118 Ų11849.1 Ų49.163%0.63127%0.269SS*.  trans-81.670.4-175.4-171.633.9000112.2R155 G156R155-N159 WeakPolarHBondContact O-CB 3.29Å; R155-N159 PolarHBondContact O-N 3.36Å; G156-N159 PolarHBondContact O-N 3.34Å
160V94.4Very high93Very high18 Ų1851.9 Ų51.911%0.10928%0.279CS..  trans-81.7131.1173.5-172.30000109.2Y40 A41 L158 L162 Y167Y40-V160 HydrophobicContact CD1-CG2 3.97Å; A41-V160 HydrophobicContact CB-CG2 4.09Å; L158-V160 VanDerWaalsContact C-N 3.29Å; L158-V160 PolarHBondContact O-N 3.41Å; V160-L162 HydrophobicContact CG1-CD1 3.92Å; V160-L162 HydrophobicContact CG1-CG 4.06Å; V160-L162 PolarHBondContact O-N 2.99Å; V160-Y167 HydrophobicContact CB-CD2 3.93Å; V160-Y167 HydrophobicContact CB-CE2 3.59Å; V160-Y167 HydrophobicContact CG1-CE2 4.26Å; V160-Y167 HydrophobicContact CG2-CD2 3.87Å; V160-Y167 HydrophobicContact CG2-CE2 3.88Å
161P92.6Very high93.2Very high125 Ų12551.3 Ų51.381%0.81228%0.275SS*.  trans-77.651.2-171.633.3-38.1000113.3
162L91.9Very high93.2Very high50 Ų5052.9 Ų52.926%0.26229%0.29SS..  trans-109.5131.1177.4-70.1171.3000110.3E33 V160 V165 Y167E33-L162 WeakPolarHBondContact O-CD1 3.42Å; V160-L162 HydrophobicContact CG1-CD1 3.92Å; V160-L162 HydrophobicContact CG1-CG 4.06Å; V160-L162 PolarHBondContact O-N 2.99Å; L162-V165 HydrophobicContact CB-CG1 3.49Å; L162-V165 VanDerWaalsContact CB-CG1 3.49Å; L162-V165 HydrophobicContact CD1-CG1 4.49Å; L162-Y167 WeakPolarHBondContact CD1-OH 3.29Å
163K87.7Confident93.1Very high178 Ų17851.1 Ų51.177%0.77429%0.285SS*.THydrogen-bonded Turntrans-77.5141.8179.7-67.5-177.3-179.4178.20111.1Y34 V165Y34-K163 PolarHBondContact OH-O 3.28Å; K163-V165 VanDerWaalsContact C-N 3.27Å; K163-V165 PolarHBondContact O-N 3.18Å
164G88.6Confident93Very high61 Ų6150.8 Ų50.863%0.62928%0.284SS*.THydrogen-bonded Turntrans792.3172.600000115.3N207G164-N207 PolarHBondContact O-ND2 3.01Å
165V92.8Very high93Very high13 Ų1350.9 Ų50.98%0.07929%0.285CS..  trans-119.9143.7175.160.70000110.3Y34 L162 K163 Y167 F206 N207Y34-V165 HydrophobicContact CD1-CB 3.94Å; Y34-V165 HydrophobicContact CD1-CG1 3.89Å; Y34-V165 HydrophobicContact CD1-CG2 4.42Å; Y34-V165 HydrophobicContact CD2-CB 3.75Å; Y34-V165 HydrophobicContact CD2-CG2 3.82Å; Y34-V165 HydrophobicContact CE1-CB 3.83Å; Y34-V165 HydrophobicContact CE1-CG1 3.82Å; Y34-V165 HydrophobicContact CE2-CB 3.66Å; Y34-V165 HydrophobicContact CE2-CG2 4.2Å; Y34-V165 HydrophobicContact CG-CB 3.9Å; Y34-V165 HydrophobicContact CG-CG1 4.28Å; Y34-V165 HydrophobicContact CG-CG2 3.95Å; L162-V165 HydrophobicContact CB-CG1 3.49Å; L162-V165 VanDerWaalsContact CB-CG1 3.49Å; L162-V165 HydrophobicContact CD1-CG1 4.49Å; K163-V165 VanDerWaalsContact C-N 3.27Å; K163-V165 PolarHBondContact O-N 3.18Å; V165-Y167 HydrophobicContact CB-CE2 4.46Å; V165-Y167 HydrophobicContact CG1-CE2 3.67Å; V165-Y167 WeakPolarHBondContact CG1-OH 3.45Å; V165-Y167 HydrophobicContact CG2-CD1 4.41Å; V165-Y167 HydrophobicContact CG2-CE1 3.79Å; V165-Y167 HydrophobicContact CG2-CE2 4.01Å; V165-F206 HydrophobicContact CG2-CB 3.96Å; V165-F206 HydrophobicContact CG2-CD2 4.15Å; V165-F206 HydrophobicContact CG2-CG 4.48Å; V165-N207 WeakPolarHBondContact CA-OD1 3.29Å
166R92.9Very high93Very high160 Ų16048.9 Ų48.960%0.60428%0.277SS*.  trans-126.1126.3171.8-64.8-176.1-177.3177.30.7109.2F206 N207R166-F206 WeakPolarHBondContact O-CA 3.38Å; R166-F206 WeakPolarHBondContact O-CB 3.39Å; R166-N207 PolarHBondContact N-OD1 3.48Å
167Y95.2Very high92.8Very high4 Ų447.2 Ų47.22%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-96.2133.2177.1-57.4-75.5000109.9Y34 G37 A38 V160 L162 V165 P178 I204 F206Y34-Y167 WeakPolarHBondContact O-CE1 3.38Å; Y34-Y167 PolarHBondContact O-OH 3.27Å; Y34-Y167 VanDerWaalsContact O-OH 3.06Å; G37-Y167 WeakPolarHBondContact CA-OH 3.41Å; A38-Y167 HydrophobicContact CB-CD1 3.96Å; A38-Y167 HydrophobicContact CB-CE1 3.7Å; V160-Y167 HydrophobicContact CB-CD2 3.93Å; V160-Y167 HydrophobicContact CB-CE2 3.59Å; V160-Y167 HydrophobicContact CG1-CE2 4.26Å; V160-Y167 HydrophobicContact CG2-CD2 3.87Å; V160-Y167 HydrophobicContact CG2-CE2 3.88Å; L162-Y167 WeakPolarHBondContact CD1-OH 3.29Å; V165-Y167 HydrophobicContact CB-CE2 4.46Å; V165-Y167 HydrophobicContact CG1-CE2 3.67Å; V165-Y167 WeakPolarHBondContact CG1-OH 3.45Å; V165-Y167 HydrophobicContact CG2-CD1 4.41Å; V165-Y167 HydrophobicContact CG2-CE1 3.79Å; V165-Y167 HydrophobicContact CG2-CE2 4.01Å; Y167-P178 WeakPolarHBondContact O-CD 3.32Å; Y167-I204 HydrophobicContact CD1-CG2 3.98Å; Y167-I204 HydrophobicContact CG-CG2 4.47Å; Y167-F206 HydrophobicContact CD1-CB 3.73Å; Y167-F206 HydrophobicContact CD1-CD1 4.43Å; Y167-F206 HydrophobicContact CD1-CG 4.15Å; Y167-F206 HydrophobicContact CE1-CB 3.97Å; Y167-F206 HydrophobicContact CE1-CD1 4.46Å; Y167-F206 HydrophobicContact CE1-CD2 4.39Å; Y167-F206 HydrophobicContact CE1-CG 4.03Å
168V94.6Very high92.4Very high5 Ų549 Ų493%0.0327%0.271CS..EExtended strand (participates in β ladder)trans-126.6130.3-178.6179.50000108.4I175 I176 Y191 I204 I205V168-I175 HydrophobicContact CG1-CB 3.65Å; V168-I175 HydrophobicContact CG1-CD1 4.14Å; V168-I175 HydrophobicContact CG1-CG1 4.46Å; V168-I175 HydrophobicContact CG1-CG2 4.07Å; V168-I176 WeakPolarHBondContact CG1-O 3.46Å; V168-Y191 HydrophobicContact CG2-CD2 4.03Å; V168-Y191 HydrophobicContact CG2-CE2 3.68Å; V168-I204 CarbonylContact O-C 3.6Å; V168-I204 WeakPolarHBondContact O-CA 3.44Å; V168-I205 PolarHBondContact N-O 3.24Å; V168-I205 PolarHBondContact O-N 3.38Å
169L95.9Very high91.8Very high0 Ų054.3 Ų54.30%030%0.304CS..EExtended strand (participates in β ladder)trans-81.7125.5171.4174.264.8000108.8I45 L121 L134 I154 L158 V171 I175 I176 F202 I204I45-L169 HydrophobicContact CD1-CD2 4.34Å; I45-L169 HydrophobicContact CG2-CD1 4.32Å; L121-L169 HydrophobicContact CD2-CD2 4.34Å; L134-L169 HydrophobicContact CD2-CD2 4.26Å; I154-L169 HydrophobicContact CG2-CD2 3.74Å; L158-L169 HydrophobicContact CD1-CB 3.98Å; L158-L169 HydrophobicContact CD2-CB 4.19Å; L169-V171 HydrophobicContact CD1-CG2 4.41Å; L169-V171 HydrophobicContact CD2-CG2 4.45Å; L169-V171 HydrophobicContact CG-CG2 4.23Å; L169-I175 CarbonylContact O-C 3.56Å; L169-I175 WeakPolarHBondContact O-CA 3.22Å; L169-I176 HydrophobicContact CB-CG2 3.87Å; L169-I176 HydrophobicContact CD2-CG2 4.1Å; L169-I176 HydrophobicContact CG-CG2 4.33Å; L169-I176 PolarHBondContact N-O 3.14Å; L169-I176 PolarHBondContact O-N 2.92Å; L169-F202 HydrophobicContact CD1-CB 3.75Å; L169-F202 HydrophobicContact CD1-CD2 3.3Å; L169-F202 HydrophobicContact CD1-CE2 4.06Å; L169-F202 HydrophobicContact CD1-CG 3.69Å; L169-I204 HydrophobicContact CB-CD1 4.34Å; L169-I204 HydrophobicContact CD1-CD1 3.9Å
170R94.2Very high91.3Very high57 Ų5751 Ų5122%0.21530%0.298CS..EExtended strand (participates in β ladder)trans-109.7130.1170.2-177.6177.6174.4-179.60.1110.6A172 D173 D174 I175 F202 T203 I205R170-A172 WeakPolarHBondContact CG-O 3.32Å; R170-A172 PolarHBondContact NE-O 3.26Å; R170-A172 PolarHBondContact NH2-O 3.18Å; R170-D173 IonicContact NH2-OD1 3.52Å; R170-D173 PolarHBondContact NH2-OD1 3.38Å; R170-D174 WeakPolarHBondContact CA-O 2.79Å; R170-I175 HydrophobicContact CB-CG2 3.75Å; R170-I175 HydrophobicContact CG-CG2 3.83Å; R170-F202 WeakPolarHBondContact O-CA 3.3Å; R170-F202 WeakPolarHBondContact O-CB 3.38Å; R170-T203 PolarHBondContact N-O 2.95Å; R170-T203 PolarHBondContact O-N 3.08Å; R170-I205 HydrophobicContact CB-CD1 3.68Å; R170-I205 HydrophobicContact CB-CG1 4.05Å; R170-I205 VanDerWaalsContact CD-CD1 3.42Å; R170-I205 HydrophobicContact CG-CD1 4.14Å
171V93.7Very high91.1Very high2 Ų253.2 Ų53.21%0.01231%0.309CS..EExtended strand (participates in β ladder)trans-128.5118.9171.1178.80000107.3L119 L121 L134 L169 D173 D174 F202L119-V171 HydrophobicContact CB-CG1 3.51Å; L119-V171 HydrophobicContact CB-CG2 4.45Å; L119-V171 WeakPolarHBondContact O-CG1 3.35Å; L121-V171 HydrophobicContact CD1-CB 4.03Å; L121-V171 HydrophobicContact CD1-CG2 4.05Å; L121-V171 HydrophobicContact CG-CB 4.01Å; L121-V171 HydrophobicContact CG-CG2 3.96Å; L134-V171 HydrophobicContact CD1-CG2 4.08Å; L169-V171 HydrophobicContact CD1-CG2 4.41Å; L169-V171 HydrophobicContact CD2-CG2 4.45Å; L169-V171 HydrophobicContact CG-CG2 4.23Å; V171-D173 PolarHBondContact O-N 3.32Å; V171-D173 VanDerWaalsContact O-N 3.16Å; V171-D174 PolarHBondContact N-O 3.18Å; V171-D174 PolarHBondContact O-N 3.27Å; V171-D174 VanDerWaalsContact O-O 3.14Å; V171-F202 HydrophobicContact CG2-CB 4Å
172A89.4Confident91.1Very high49 Ų4948.1 Ų48.141%0.40528%0.276SS..THydrogen-bonded Turntrans49.8-118.8-168.900000111R170R170-A172 WeakPolarHBondContact CG-O 3.32Å; R170-A172 PolarHBondContact NE-O 3.26Å; R170-A172 PolarHBondContact NH2-O 3.18Å
173D89.8Confident91.1Very high93 Ų9350.5 Ų50.550%0.49729%0.287SS..THydrogen-bonded Turntrans-99.9-1.1179-64.3-41.1000114R170 V171 T184 L185R170-D173 IonicContact NH2-OD1 3.52Å; R170-D173 PolarHBondContact NH2-OD1 3.38Å; V171-D173 PolarHBondContact O-N 3.32Å; V171-D173 VanDerWaalsContact O-N 3.16Å; D173-T184 HydrophobicContact CB-CG2 4.24Å; D173-L185 WeakPolarHBondContact O-CB 3.24Å; D173-L185 PolarHBondContact O-N 3.34Å
174D91.9Very high91.1Very high32 Ų3245.8 Ų45.817%0.17127%0.273CS..EExtended strand (participates in β ladder)trans-97.7147.5179.5-65.7-44.1000111.5L121 R170 V171 V182 M183 T184L121-D174 HydrophobicContact CB-CB 4.11Å; L121-D174 HydrophobicContact CD1-CB 4.27Å; R170-D174 WeakPolarHBondContact CA-O 2.79Å; V171-D174 PolarHBondContact N-O 3.18Å; V171-D174 PolarHBondContact O-N 3.27Å; V171-D174 VanDerWaalsContact O-O 3.14Å; D174-V182 HydrophobicContact CB-CG1 3.72Å; D174-M183 CarbonylContact C-O 3.37Å; D174-M183 WeakPolarHBondContact CA-O 3.32Å; D174-T184 WeakPolarHBondContact OD1-CA 3.29Å; D174-T184 WeakPolarHBondContact OD1-CB 3.33Å; D174-T184 PolarHBondContact OD1-OG1 2.96Å
175I93Very high90.9Very high3 Ų344.6 Ų44.62%0.01525%0.252CS..EExtended strand (participates in β ladder)trans-132.5147.5-179.455.3157.8000112.1V168 L169 R170 V182 M183 L185 Y189V168-I175 HydrophobicContact CG1-CB 3.65Å; V168-I175 HydrophobicContact CG1-CD1 4.14Å; V168-I175 HydrophobicContact CG1-CG1 4.46Å; V168-I175 HydrophobicContact CG1-CG2 4.07Å; L169-I175 CarbonylContact O-C 3.56Å; L169-I175 WeakPolarHBondContact O-CA 3.22Å; R170-I175 HydrophobicContact CB-CG2 3.75Å; R170-I175 HydrophobicContact CG-CG2 3.83Å; I175-V182 WeakPolarHBondContact O-CA 3.2Å; I175-M183 HydrophobicContact CD1-CE 3.81Å; I175-M183 HydrophobicContact CG1-CB 4.11Å; I175-M183 HydrophobicContact CG1-CE 4.49Å; I175-M183 WeakPolarHBondContact CG1-O 3.4Å; I175-M183 PolarHBondContact N-O 3.14Å; I175-M183 PolarHBondContact O-N 3.49Å; I175-L185 HydrophobicContact CD1-CD1 3.85Å; I175-L185 HydrophobicContact CG1-CD1 4.21Å; I175-L185 HydrophobicContact CG2-CD1 3.75Å; I175-Y189 HydrophobicContact CD1-CD1 4.49Å; I175-Y189 HydrophobicContact CD1-CD2 4.33Å; I175-Y189 HydrophobicContact CD1-CE1 3.68Å; I175-Y189 HydrophobicContact CD1-CE2 3.51Å; I175-Y189 WeakPolarHBondContact CD1-OH 3.45Å
176I93.9Very high90.1Very high1 Ų151.4 Ų51.41%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-133.6127.1169.6-169.6169.6000110.1L121 P132 D151 I154 L158 V168 L169 V182L121-I176 HydrophobicContact CD1-CB 4.24Å; L121-I176 HydrophobicContact CD1-CG2 3.89Å; L121-I176 HydrophobicContact CD2-CB 4.32Å; L121-I176 HydrophobicContact CD2-CG2 3.65Å; L121-I176 HydrophobicContact CG-CG2 4.45Å; P132-I176 HydrophobicContact CB-CD1 4.04Å; P132-I176 HydrophobicContact CG-CD1 3.98Å; D151-I176 HydrophobicContact CB-CD1 4.43Å; I154-I176 HydrophobicContact CG2-CG2 3.88Å; L158-I176 WeakPolarHBondContact CD1-O 3.47Å; V168-I176 WeakPolarHBondContact CG1-O 3.46Å; L169-I176 HydrophobicContact CB-CG2 3.87Å; L169-I176 HydrophobicContact CD2-CG2 4.1Å; L169-I176 HydrophobicContact CG-CG2 4.33Å; L169-I176 PolarHBondContact N-O 3.14Å; L169-I176 PolarHBondContact O-N 2.92Å; I176-V182 HydrophobicContact CD1-CG2 4.35Å
177G91.6Very high88.9Confident13 Ų1346.1 Ų46.113%0.13428%0.284CS..  trans-94.7-174.5177.300000113.1R155 T179R155-G177 PolarHBondContact NH1-O 3.07Å; R155-G177 VanDerWaalsContact NH1-O 3.14Å; G177-T179 PolarHBondContact O-N 3.1Å
178P85.8Confident87.4Confident43 Ų4355.8 Ų55.828%0.27933%0.328SS..SBendtrans-66.2-21.1175.228.6-34.4000112.3R155 Y167R155-P178 WeakPolarHBondContact CD-O 3.42Å; R155-P178 PolarHBondContact NH1-O 2.71Å; Y167-P178 WeakPolarHBondContact O-CD 3.32Å
179T83.4Confident86.2Confident115 Ų11559 Ų5971%0.70634%0.341SS*.SBendtrans-134.8156.1176.460.80000110.5R155 G177R155-T179 VanDerWaalsContact NH1-CA 3.33Å; G177-T179 PolarHBondContact O-N 3.1Å
180G84Confident84.8Confident49 Ų4963.8 Ų63.851%0.50537%0.372SS..SBendtrans84.1170.8177.100000115.3R155R155-G180 PolarHBondContact NH1-O 3.43Å; R155-G180 PolarHBondContact NH2-O 3.4Å
181D90.9Very high83.8Confident64 Ų6462.9 Ų62.934%0.34237%0.368SS..  trans-80.3176.1179.7-159.88.2000112.2P123 A124 P132P123-D181 WeakPolarHBondContact CA-OD1 3.17Å; A124-D181 VanDerWaalsContact CB-OD2 3.31Å; A124-D181 WeakPolarHBondContact CB-OD2 3.45Å; A124-D181 PolarHBondContact N-OD1 2.94Å; A124-D181 PolarHBondContact N-OD2 2.81Å; P132-D181 VanDerWaalsContact CB-OD1 3.32Å; P132-D181 WeakPolarHBondContact CB-OD1 3.45Å
182V92.6Very high83.1Confident19 Ų1967.2 Ų67.212%0.11540%0.395CS..  trans-62.1134.4172.8-179.20000110.1L121 P123 P132 D174 I175 I176L121-V182 HydrophobicContact CB-CG1 3.78Å; L121-V182 HydrophobicContact CB-CG2 3.94Å; P123-V182 HydrophobicContact CB-CB 4.2Å; P132-V182 HydrophobicContact CB-CG2 3.87Å; D174-V182 HydrophobicContact CB-CG1 3.72Å; I175-V182 WeakPolarHBondContact O-CA 3.2Å; I176-V182 HydrophobicContact CD1-CG2 4.35Å
183M90.8Very high83.3Confident99 Ų9967.6 Ų67.649%0.48839%0.389SS..EExtended strand (participates in β ladder)trans-126.6142.3175.5-52.6-170.4-41.600110.7D174 I175 Y189D174-M183 CarbonylContact C-O 3.37Å; D174-M183 WeakPolarHBondContact CA-O 3.32Å; I175-M183 HydrophobicContact CD1-CE 3.81Å; I175-M183 HydrophobicContact CG1-CB 4.11Å; I175-M183 HydrophobicContact CG1-CE 4.49Å; I175-M183 WeakPolarHBondContact CG1-O 3.4Å; I175-M183 PolarHBondContact N-O 3.14Å; I175-M183 PolarHBondContact O-N 3.49Å; M183-Y189 HydrophobicContact CE-CE2 4.14Å; M183-Y189 VanDerWaalsContact CE-OH 3.26Å; M183-Y189 WeakPolarHBondContact CE-OH 3.43Å
184T89Confident83.5Confident80 Ų8068 Ų6849%0.49139%0.386SS..EExtended strand (participates in β ladder)trans-88.5135.1174-46.30000111D173 D174 N186D173-T184 HydrophobicContact CB-CG2 4.24Å; D174-T184 WeakPolarHBondContact OD1-CA 3.29Å; D174-T184 WeakPolarHBondContact OD1-CB 3.33Å; D174-T184 PolarHBondContact OD1-OG1 2.96Å; T184-N186 PolarHBondContact O-N 3.42Å; T184-N186 VanDerWaalsContact O-N 3.12Å
185L84.5Confident83.8Confident36 Ų3667.4 Ų67.419%0.18838%0.383CS..  trans-83.783.6-171.8-151.8110.1000111.5D173 I175 G187 Y189D173-L185 WeakPolarHBondContact O-CB 3.24Å; D173-L185 PolarHBondContact O-N 3.34Å; I175-L185 HydrophobicContact CD1-CD1 3.85Å; I175-L185 HydrophobicContact CG1-CD1 4.21Å; I175-L185 HydrophobicContact CG2-CD1 3.75Å; L185-G187 VanDerWaalsContact C-N 3.31Å; L185-G187 PolarHBondContact O-N 3.39Å; L185-Y189 HydrophobicContact CD1-CD1 4.07Å; L185-Y189 HydrophobicContact CD1-CD2 3.52Å; L185-Y189 HydrophobicContact CD1-CE2 4.08Å; L185-Y189 HydrophobicContact CD1-CG 3.54Å; L185-Y189 HydrophobicContact CG-CD2 4.08Å; L185-Y189 HydrophobicContact CG-CG 4.29Å
186N74.5Confident83.9Confident155 Ų15573.3 Ų73.383%0.82941%0.41SS*.  trans-83.211.9-175.4-68.4-17.6000115.6T184T184-N186 PolarHBondContact O-N 3.42Å; T184-N186 VanDerWaalsContact O-N 3.12Å
187G68.1Low84Confident50 Ų5074 Ų7452%0.51542%0.416SS..SBendtrans176.6-161.8-17500000115.4L185 Y189L185-G187 VanDerWaalsContact C-N 3.31Å; L185-G187 PolarHBondContact O-N 3.39Å; G187-Y189 PolarHBondContact O-N 3.38Å
188H63.1Low83.8Confident206 Ų20679.7 Ų79.795%0.95445%0.448SS*.  trans-63.198.9178.7-99.176.8000110.7
189Y69.6Low84Confident73 Ų7384 Ų8429%0.28646%0.463SS..  trans-77.1136171.3-141.1-112.3000109.1I175 M183 L185 G187 Y191I175-Y189 HydrophobicContact CD1-CD1 4.49Å; I175-Y189 HydrophobicContact CD1-CD2 4.33Å; I175-Y189 HydrophobicContact CD1-CE1 3.68Å; I175-Y189 HydrophobicContact CD1-CE2 3.51Å; I175-Y189 WeakPolarHBondContact CD1-OH 3.45Å; M183-Y189 HydrophobicContact CE-CE2 4.14Å; M183-Y189 VanDerWaalsContact CE-OH 3.26Å; M183-Y189 WeakPolarHBondContact CE-OH 3.43Å; L185-Y189 HydrophobicContact CD1-CD1 4.07Å; L185-Y189 HydrophobicContact CD1-CD2 3.52Å; L185-Y189 HydrophobicContact CD1-CE2 4.08Å; L185-Y189 HydrophobicContact CD1-CG 3.54Å; L185-Y189 HydrophobicContact CG-CD2 4.08Å; L185-Y189 HydrophobicContact CG-CG 4.29Å; G187-Y189 PolarHBondContact O-N 3.38Å; Y189-Y191 AromaticContact CD1-CD2 3.43Å; Y189-Y191 HydrophobicContact CD1-CD2 3.43Å; Y189-Y191 VanDerWaalsContact CD1-CD2 3.43Å; Y189-Y191 HydrophobicContact CD1-CE2 4.12Å; Y189-Y191 HydrophobicContact CD1-CG 4.07Å; Y189-Y191 AromaticContact CE1-CD2 3.28Å; Y189-Y191 HydrophobicContact CE1-CD2 3.28Å; Y189-Y191 AromaticContact CE1-CE2 3.51Å; Y189-Y191 HydrophobicContact CE1-CE2 3.51Å; Y189-Y191 HydrophobicContact CE1-CG 4.3Å; Y189-Y191 PolarHBondContact O-N 3.11Å
190P68.2Low84.5Confident100 Ų10079.8 Ų79.865%0.64943%0.434SS*.SBendtrans-65.3-11.7-174.825.2-34.1000113.6
191Y72.4Confident85Confident38 Ų3884.1 Ų84.115%0.14944%0.441CS..  trans-89115.1177.8-55.5-38.9000111V168 Y189 I205 N207V168-Y191 HydrophobicContact CG2-CD2 4.03Å; V168-Y191 HydrophobicContact CG2-CE2 3.68Å; Y189-Y191 AromaticContact CD1-CD2 3.43Å; Y189-Y191 HydrophobicContact CD1-CD2 3.43Å; Y189-Y191 VanDerWaalsContact CD1-CD2 3.43Å; Y189-Y191 HydrophobicContact CD1-CE2 4.12Å; Y189-Y191 HydrophobicContact CD1-CG 4.07Å; Y189-Y191 AromaticContact CE1-CD2 3.28Å; Y189-Y191 HydrophobicContact CE1-CD2 3.28Å; Y189-Y191 AromaticContact CE1-CE2 3.51Å; Y189-Y191 HydrophobicContact CE1-CE2 3.51Å; Y189-Y191 HydrophobicContact CE1-CG 4.3Å; Y189-Y191 PolarHBondContact O-N 3.11Å; Y191-I205 VanDerWaalsContact CB-CG2 3.47Å; Y191-N207 HydrophobicContact CD1-CB 3.43Å; Y191-N207 VanDerWaalsContact CD1-CB 3.43Å; Y191-N207 VanDerWaalsContact CD1-N 3.26Å; Y191-N207 HydrophobicContact CE1-CB 3.58Å
192T79.3Confident85.2Confident93 Ų9381.3 Ų81.357%0.57143%0.425SS*.  trans-100-30-174.355.80000113.1
193E93.3Very high85.3Confident58 Ų5881.4 Ų81.427%0.27143%0.426SS..EExtended strand (participates in β ladder)trans-87.8141.8-174.8-64.4-76.9-173.500110.5K31 I205 F206 P208K31-E193 VanDerWaalsContact CE-OE1 3.31Å; K31-E193 WeakPolarHBondContact CE-OE1 3.44Å; K31-E193 IonicContact NZ-OE1 2.81Å; K31-E193 PolarHBondContact NZ-OE1 3.04Å; E193-I205 WeakPolarHBondContact O-CA 3.34Å; E193-I205 WeakPolarHBondContact O-CG2 3.4Å; E193-F206 HydrophobicContact CB-CD1 4.25Å; E193-F206 HydrophobicContact CB-CD2 4.09Å; E193-F206 HydrophobicContact CB-CE1 3.75Å; E193-F206 HydrophobicContact CB-CE2 3.6Å; E193-F206 HydrophobicContact CB-CG 4.4Å; E193-F206 HydrophobicContact CB-CZ 3.42Å; E193-F206 VanDerWaalsContact CB-CZ 3.42Å; E193-F206 HydrophobicContact CG-CE2 4.29Å; E193-F206 HydrophobicContact CG-CZ 4.38Å; E193-F206 PolarHBondContact N-O 3.13Å; E193-F206 PolarHBondContact O-N 3.33Å; E193-F206 VanDerWaalsContact O-N 3.08Å; E193-P208 HydrophobicContact CG-CB 4.14Å
194K94.4Very high85.6Confident101 Ų10176.7 Ų76.744%0.43940%0.402SS..EExtended strand (participates in β ladder)trans-140.9141.7-169-65.5176.4-172.31700111.1T203 I204 I205K194-T203 HydrophobicContact CB-CG2 3.79Å; K194-T203 HydrophobicContact CD-CG2 4.46Å; K194-T203 HydrophobicContact CG-CG2 4.2Å; K194-I204 CarbonylContact C-O 3.59Å; K194-I204 WeakPolarHBondContact CA-O 3.47Å; K194-I205 HydrophobicContact CG-CG1 4.24Å; K194-I205 HydrophobicContact CG-CG2 4.08Å
195V96.7Very high85.9Confident19 Ų1973 Ų7312%0.11538%0.38CS..EExtended strand (participates in β ladder)trans-125.7117.2168.4173.10000108.2L35 A38 R39 A42 T203 I204 F206L35-V195 HydrophobicContact CD1-CG2 3.57Å; A38-V195 HydrophobicContact CB-CB 4.26Å; A38-V195 HydrophobicContact CB-CG2 3.71Å; R39-V195 HydrophobicContact CG-CG1 4.15Å; R39-V195 HydrophobicContact CG-CG2 4.41Å; A42-V195 HydrophobicContact CB-CG1 4.22Å; V195-T203 CarbonylContact O-C 3.54Å; V195-T203 WeakPolarHBondContact O-CA 3.27Å; V195-T203 WeakPolarHBondContact O-CG2 3.29Å; V195-I204 PolarHBondContact N-O 3.09Å; V195-I204 PolarHBondContact O-N 3.23Å; V195-F206 HydrophobicContact CG2-CE1 4.15Å
196H95.9Very high86.4Confident127 Ų12771.6 Ų71.659%0.58837%0.372SS*.EExtended strand (participates in β ladder)trans-80.1143.7175.3-63.7-75.2000110.5T203H196-T203 PolarHBondContact CE1-OG1 2.89Å; H196-T203 PolarHBondContact ND1-OG1 3.37Å
197S95.3Very high87.3Confident17 Ų1765.8 Ų65.812%0.11934%0.341CS..  trans-67.4145.9165.5170.70000110.5N46 K199 Y200 F202N46-S197 PolarHBondContact OD1-OG 3.24Å; S197-K199 PolarHBondContact OG-N 2.86Å; S197-K199 VanDerWaalsContact OG-N 3.15Å; S197-Y200 VanDerWaalsContact CB-O 3.28Å; S197-Y200 WeakPolarHBondContact CB-O 3.48Å; S197-Y200 PolarHBondContact OG-N 3.42Å; S197-Y200 VanDerWaalsContact OG-N 3.12Å; S197-F202 VanDerWaalsContact CB-CZ 3.42Å; S197-F202 PolarHBondContact N-O 3.46Å; S197-F202 VanDerWaalsContact N-O 3.08Å; S197-F202 WeakPolarHBondContact OG-CE1 3.38Å
198T88.6Confident88.4Confident132 Ų13265.5 Ų65.581%0.8133%0.33SS*.SBendtrans-83.3-15.5175.552.60000113.3
199K90.3Very high89.8Confident134 Ų13456 Ų5658%0.58329%0.287SS*.SBendtrans-119.1-31.3-171.7-73.6-175.6167.6-169.90114E50 S197E50-K199 IonicContact OE2-NZ 3.29Å; E50-K199 PolarHBondContact OE2-NZ 2.55Å; S197-K199 PolarHBondContact OG-N 2.86Å; S197-K199 VanDerWaalsContact OG-N 3.15Å
200Y93.4Very high90.9Very high26 Ų2656 Ų5610%0.10230%0.296CS..SBendtrans-129.6156.4-171.9-59.1-79.5000110.9N46 L49 E50 Y136 S197 F202N46-Y200 WeakPolarHBondContact OD1-CD2 3.42Å; L49-Y200 HydrophobicContact CB-CD1 4.19Å; L49-Y200 HydrophobicContact CB-CD2 3.76Å; L49-Y200 HydrophobicContact CB-CE1 3.95Å; L49-Y200 HydrophobicContact CB-CE2 3.5Å; L49-Y200 VanDerWaalsContact CB-CE2 3.5Å; L49-Y200 HydrophobicContact CB-CG 4.11Å; L49-Y200 HydrophobicContact CD1-CD1 4.12Å; L49-Y200 HydrophobicContact CD1-CD2 3.73Å; L49-Y200 HydrophobicContact CD1-CE2 4.37Å; L49-Y200 HydrophobicContact CD1-CG 3.61Å; L49-Y200 HydrophobicContact CG-CD2 4.42Å; L49-Y200 PolarHBondContact O-OH 2.94Å; E50-Y200 WeakPolarHBondContact CA-OH 3.32Å; E50-Y200 PolarHBondContact N-OH 2.66Å; Y136-Y200 HydrophobicContact CE2-CD1 4.18Å; Y136-Y200 AromaticContact CE2-CE1 3.89Å; Y136-Y200 HydrophobicContact CE2-CE1 3.89Å; S197-Y200 VanDerWaalsContact CB-O 3.28Å; S197-Y200 WeakPolarHBondContact CB-O 3.48Å; S197-Y200 PolarHBondContact OG-N 3.42Å; S197-Y200 VanDerWaalsContact OG-N 3.12Å; Y200-F202 HydrophobicContact CD2-CE1 4.38Å; Y200-F202 PolarHBondContact O-N 3.5Å
201H93Very high92Very high140 Ų14057.2 Ų57.265%0.64830%0.296SS*.SBendtrans-8161.7-177.5-61.2163.3000112.6
202F95.3Very high93Very high5 Ų561.2 Ų61.22%0.02232%0.315CS..EExtended strand (participates in β ladder)trans-134.3162.517176.8-97.2000111.7A42 I45 N46 L49 L119 L169 R170 V171 S197 Y200 I204A42-F202 HydrophobicContact CB-CE2 4.3Å; I45-F202 HydrophobicContact CB-CE1 4.2Å; I45-F202 HydrophobicContact CB-CE2 3.93Å; I45-F202 HydrophobicContact CB-CZ 3.58Å; I45-F202 HydrophobicContact CG2-CD1 4.02Å; I45-F202 HydrophobicContact CG2-CD2 4.27Å; I45-F202 HydrophobicContact CG2-CE1 3.52Å; I45-F202 HydrophobicContact CG2-CE2 3.81Å; I45-F202 HydrophobicContact CG2-CG 4.37Å; I45-F202 HydrophobicContact CG2-CZ 3.4Å; N46-F202 WeakPolarHBondContact OD1-CE1 3.4Å; N46-F202 VanDerWaalsContact OD1-CZ 3.27Å; N46-F202 WeakPolarHBondContact OD1-CZ 3.06Å; L49-F202 HydrophobicContact CD1-CD1 3.76Å; L49-F202 HydrophobicContact CD1-CE1 3.7Å; L119-F202 HydrophobicContact CD1-CB 4.07Å; L119-F202 HydrophobicContact CD1-CD1 4.03Å; L169-F202 HydrophobicContact CD1-CB 3.75Å; L169-F202 HydrophobicContact CD1-CD2 3.3Å; L169-F202 HydrophobicContact CD1-CE2 4.06Å; L169-F202 HydrophobicContact CD1-CG 3.69Å; R170-F202 WeakPolarHBondContact O-CA 3.3Å; R170-F202 WeakPolarHBondContact O-CB 3.38Å; V171-F202 HydrophobicContact CG2-CB 4Å; S197-F202 VanDerWaalsContact CB-CZ 3.42Å; S197-F202 PolarHBondContact N-O 3.46Å; S197-F202 VanDerWaalsContact N-O 3.08Å; S197-F202 WeakPolarHBondContact OG-CE1 3.38Å; Y200-F202 HydrophobicContact CD2-CE1 4.38Å; Y200-F202 PolarHBondContact O-N 3.5Å; F202-I204 HydrophobicContact CD2-CD1 4.19Å; F202-I204 HydrophobicContact CE2-CD1 3.98Å; F202-I204 HydrophobicContact CE2-CG1 4.14Å
203T95.6Very high93.6Very high20 Ų2058.3 Ų58.312%0.12330%0.298CS..EExtended strand (participates in β ladder)trans-133.9138.4177.7-520000110R170 K194 V195 H196 I205R170-T203 PolarHBondContact N-O 2.95Å; R170-T203 PolarHBondContact O-N 3.08Å; K194-T203 HydrophobicContact CB-CG2 3.79Å; K194-T203 HydrophobicContact CD-CG2 4.46Å; K194-T203 HydrophobicContact CG-CG2 4.2Å; V195-T203 CarbonylContact O-C 3.54Å; V195-T203 WeakPolarHBondContact O-CA 3.27Å; V195-T203 WeakPolarHBondContact O-CG2 3.29Å; H196-T203 PolarHBondContact CE1-OG1 2.89Å; H196-T203 PolarHBondContact ND1-OG1 3.37Å; T203-I205 HydrophobicContact CG2-CG1 4.27Å
204I96.5Very high93.5Very high0 Ų062.2 Ų62.20%031%0.314CS..EExtended strand (participates in β ladder)trans-90.4124166.2-56.7-55000108.6A38 A41 A42 I45 L158 Y167 V168 L169 K194 V195 F202A38-I204 HydrophobicContact CB-CG2 4.19Å; A41-I204 HydrophobicContact CB-CG2 4.48Å; A42-I204 HydrophobicContact CB-CG1 3.78Å; I45-I204 HydrophobicContact CG1-CD1 4.48Å; L158-I204 HydrophobicContact CD2-CD1 3.75Å; Y167-I204 HydrophobicContact CD1-CG2 3.98Å; Y167-I204 HydrophobicContact CG-CG2 4.47Å; V168-I204 CarbonylContact O-C 3.6Å; V168-I204 WeakPolarHBondContact O-CA 3.44Å; L169-I204 HydrophobicContact CB-CD1 4.34Å; L169-I204 HydrophobicContact CD1-CD1 3.9Å; K194-I204 CarbonylContact C-O 3.59Å; K194-I204 WeakPolarHBondContact CA-O 3.47Å; V195-I204 PolarHBondContact N-O 3.09Å; V195-I204 PolarHBondContact O-N 3.23Å; F202-I204 HydrophobicContact CD2-CD1 4.19Å; F202-I204 HydrophobicContact CE2-CD1 3.98Å; F202-I204 HydrophobicContact CE2-CG1 4.14Å
205I95.1Very high93.3Very high4 Ų464.6 Ų64.62%0.02132%0.322CS..EExtended strand (participates in β ladder)trans-112.7140.3178.8-42.7-174.2000109.1V168 R170 Y191 E193 K194 T203V168-I205 PolarHBondContact N-O 3.24Å; V168-I205 PolarHBondContact O-N 3.38Å; R170-I205 HydrophobicContact CB-CD1 3.68Å; R170-I205 HydrophobicContact CB-CG1 4.05Å; R170-I205 VanDerWaalsContact CD-CD1 3.42Å; R170-I205 HydrophobicContact CG-CD1 4.14Å; Y191-I205 VanDerWaalsContact CB-CG2 3.47Å; E193-I205 WeakPolarHBondContact O-CA 3.34Å; E193-I205 WeakPolarHBondContact O-CG2 3.4Å; K194-I205 HydrophobicContact CG-CG1 4.24Å; K194-I205 HydrophobicContact CG-CG2 4.08Å; T203-I205 HydrophobicContact CG2-CG1 4.27Å
206F95.1Very high93.1Very high5 Ų565 Ų652%0.02232%0.321CS..EExtended strand (participates in β ladder)trans-151.6160.1-17861.4-78.1000112.8L35 A38 V165 R166 Y167 E193 V195L35-F206 HydrophobicContact CD1-CZ 4.29Å; A38-F206 HydrophobicContact CB-CD1 3.62Å; A38-F206 HydrophobicContact CB-CE1 3.45Å; A38-F206 VanDerWaalsContact CB-CE1 3.45Å; A38-F206 HydrophobicContact CB-CG 4.37Å; A38-F206 HydrophobicContact CB-CZ 4.05Å; V165-F206 HydrophobicContact CG2-CB 3.96Å; V165-F206 HydrophobicContact CG2-CD2 4.15Å; V165-F206 HydrophobicContact CG2-CG 4.48Å; R166-F206 WeakPolarHBondContact O-CA 3.38Å; R166-F206 WeakPolarHBondContact O-CB 3.39Å; Y167-F206 HydrophobicContact CD1-CB 3.73Å; Y167-F206 HydrophobicContact CD1-CD1 4.43Å; Y167-F206 HydrophobicContact CD1-CG 4.15Å; Y167-F206 HydrophobicContact CE1-CB 3.97Å; Y167-F206 HydrophobicContact CE1-CD1 4.46Å; Y167-F206 HydrophobicContact CE1-CD2 4.39Å; Y167-F206 HydrophobicContact CE1-CG 4.03Å; E193-F206 HydrophobicContact CB-CD1 4.25Å; E193-F206 HydrophobicContact CB-CD2 4.09Å; E193-F206 HydrophobicContact CB-CE1 3.75Å; E193-F206 HydrophobicContact CB-CE2 3.6Å; E193-F206 HydrophobicContact CB-CG 4.4Å; E193-F206 HydrophobicContact CB-CZ 3.42Å; E193-F206 VanDerWaalsContact CB-CZ 3.42Å; E193-F206 HydrophobicContact CG-CE2 4.29Å; E193-F206 HydrophobicContact CG-CZ 4.38Å; E193-F206 PolarHBondContact N-O 3.13Å; E193-F206 PolarHBondContact O-N 3.33Å; E193-F206 VanDerWaalsContact O-N 3.08Å; V195-F206 HydrophobicContact CG2-CE1 4.15Å
207N93.4Very high93Very high33 Ų3359.3 Ų59.318%0.17630%0.295CS..PPolyproline II helixtrans-76.9140.317553.2-67000111.9Y34 G164 V165 R166 Y191Y34-N207 WeakPolarHBondContact CD2-O 3.37Å; G164-N207 PolarHBondContact O-ND2 3.01Å; V165-N207 WeakPolarHBondContact CA-OD1 3.29Å; R166-N207 PolarHBondContact N-OD1 3.48Å; Y191-N207 HydrophobicContact CD1-CB 3.43Å; Y191-N207 VanDerWaalsContact CD1-CB 3.43Å; Y191-N207 VanDerWaalsContact CD1-N 3.26Å; Y191-N207 HydrophobicContact CE1-CB 3.58Å
208P92.1Very high92.9Very high45 Ų4561.2 Ų61.229%0.29230%0.303SS..PPolyproline II helixtrans-68.1154.5167.930.5-34.6000110.9E193E193-P208 HydrophobicContact CG-CB 4.14Å
209P92.8Very high93Very high6 Ų659 Ų594%0.03929%0.287CS..PPolyproline II helixtrans-69.6144.5171.429.5-32.5000110.5W27 A30 K31 Y34W27-P209 PolarHBondContact NE1-O 2.81Å; W27-P209 VanDerWaalsContact NE1-O 3.08Å; A30-P209 HydrophobicContact CB-CB 3.87Å; A30-P209 HydrophobicContact CB-CG 4.02Å; K31-P209 HydrophobicContact CB-CG 4.13Å; Y34-P209 HydrophobicContact CD2-CB 4.07Å; Y34-P209 HydrophobicContact CD2-CG 4.18Å; Y34-P209 HydrophobicContact CE2-CB 3.65Å; Y34-P209 HydrophobicContact CE2-CG 4.27Å
210P92.4Very high93Very high73 Ų7359.1 Ų59.147%0.47429%0.287SS..PPolyproline II helixtrans-63.3142.417727.9-35.3000110.9W27 F212 R216W27-P210 VanDerWaalsContact CD1-O 3.28Å; P210-F212 VanDerWaalsContact C-N 3.27Å; P210-F212 PolarHBondContact O-N 2.91Å; P210-R216 PolarHBondContact O-NH1 2.83Å; P210-R216 PolarHBondContact O-NH2 3.25Å
211L91.5Very high92.9Very high125 Ų12557.9 Ų57.965%0.65428%0.283SS*.SBendtrans-54.9-44.5179.5-77.7168.7000111.7N23 W27 R216N23-L211 PolarHBondContact ND2-O 3.15Å; N23-L211 PolarHBondContact OD1-O 2.86Å; W27-L211 HydrophobicContact CD2-CD2 4.17Å; W27-L211 HydrophobicContact CG-CD2 4.44Å; W27-L211 HydrophobicContact CZ2-CD2 4.12Å; L211-R216 PolarHBondContact O-NH2 2.89Å; L211-R216 VanDerWaalsContact O-NH2 3.13Å
212F92.7Very high93Very high123 Ų12356.9 Ų56.954%0.53928%0.277SS..  trans-118.2133.9174.7-179-103000110.4P210 F214P210-F212 VanDerWaalsContact C-N 3.27Å; P210-F212 PolarHBondContact O-N 2.91Å; F212-F214 HydrophobicContact CE1-CB 4.16Å; F212-F214 HydrophobicContact CZ-CB 4.28Å
213S91.6Very high92.9Very high32 Ų3259.2 Ų59.222%0.22430%0.302CS..  trans-144.3110.9170.1169.70000108.6Y215 R216 L217S213-Y215 VanDerWaalsContact C-N 3.27Å; S213-Y215 PolarHBondContact O-N 2.77Å; S213-R216 PolarHBondContact O-N 3.06Å; S213-R216 VanDerWaalsContact O-N 3.15Å; S213-R216 PolarHBondContact OG-N 3.4Å; S213-L217 PolarHBondContact O-N 2.89Å
214F91.3Very high92.8Very high140 Ų14062.1 Ų62.161%0.61432%0.316SS*.Hα-helixtrans-57.2-43.7177.2-178.1-99.7000111.2F212 R216 L217 I218F212-F214 HydrophobicContact CE1-CB 4.16Å; F212-F214 HydrophobicContact CZ-CB 4.28Å; F214-R216 VanDerWaalsContact C-N 3.33Å; F214-R216 PolarHBondContact O-N 3.3Å; F214-L217 PolarHBondContact O-N 3.27Å; F214-I218 HydrophobicContact CD1-CG1 4.37Å; F214-I218 HydrophobicContact CE1-CG1 3.93Å; F214-I218 HydrophobicContact CE2-CD1 4.41Å; F214-I218 HydrophobicContact CE2-CG1 4.26Å; F214-I218 HydrophobicContact CZ-CD1 4.19Å; F214-I218 HydrophobicContact CZ-CG1 3.87Å; F214-I218 WeakPolarHBondContact O-CG1 3.39Å; F214-I218 PolarHBondContact O-N 3.19Å
215Y91.3Very high92.7Very high150 Ų15063.7 Ų63.759%0.58832%0.324SS*.Hα-helixtrans-59-43.7176.8-172.9-83.4000111.7S213 I218 D219S213-Y215 VanDerWaalsContact C-N 3.27Å; S213-Y215 PolarHBondContact O-N 2.77Å; Y215-I218 PolarHBondContact O-N 3.34Å; Y215-D219 HydrophobicContact CD1-CB 4.13Å; Y215-D219 HydrophobicContact CE1-CB 3.79Å; Y215-D219 WeakPolarHBondContact O-CB 3.45Å; Y215-D219 PolarHBondContact O-N 3.23Å
216R92.9Very high92.7Very high28 Ų2866.9 Ų66.911%0.10634%0.34CS..Hα-helixtrans-64.9-41.9177.5-176.9177.362.8-155.2-6.3111.9L26 P210 L211 S213 F214 I218 K220L26-R216 HydrophobicContact CB-CG 4.31Å; L26-R216 HydrophobicContact CD1-CG 4.49Å; P210-R216 PolarHBondContact O-NH1 2.83Å; P210-R216 PolarHBondContact O-NH2 3.25Å; L211-R216 PolarHBondContact O-NH2 2.89Å; L211-R216 VanDerWaalsContact O-NH2 3.13Å; S213-R216 PolarHBondContact O-N 3.06Å; S213-R216 VanDerWaalsContact O-N 3.15Å; S213-R216 PolarHBondContact OG-N 3.4Å; F214-R216 VanDerWaalsContact C-N 3.33Å; F214-R216 PolarHBondContact O-N 3.3Å; R216-I218 VanDerWaalsContact C-N 3.27Å; R216-I218 PolarHBondContact O-N 3.02Å; R216-K220 HydrophobicContact CG-CG 4.32Å; R216-K220 WeakPolarHBondContact O-CB 3.27Å; R216-K220 PolarHBondContact O-N 2.96Å
217L92.7Very high92.7Very high7 Ų772.8 Ų72.84%0.03737%0.366CS..Hα-helixtrans-60.2-40.1179.4-169.372.8000111.3V19 L22 N23 L26 S213 F214 G221 L225V19-L217 HydrophobicContact CG1-CD2 3.87Å; L22-L217 HydrophobicContact CB-CD1 4.42Å; L22-L217 HydrophobicContact CD2-CD1 3.76Å; L22-L217 HydrophobicContact CG-CD1 3.83Å; N23-L217 HydrophobicContact CB-CD1 4.26Å; L26-L217 HydrophobicContact CD1-CD1 4.07Å; S213-L217 PolarHBondContact O-N 2.89Å; F214-L217 PolarHBondContact O-N 3.27Å; L217-G221 CarbonylContact O-C 3.58Å; L217-G221 VanDerWaalsContact O-C 3.29Å; L217-G221 WeakPolarHBondContact O-CA 3.32Å; L217-G221 PolarHBondContact O-N 3.31Å; L217-L225 HydrophobicContact CD2-CD1 3.84Å; L217-L225 HydrophobicContact CG-CD1 4.08Å
218I93.1Very high92.8Very high58 Ų5872.4 Ų72.430%0.29736%0.364SS..Hα-helixtrans-76.5-55176.7-60-60.1000111F214 Y215 R216 K220 F222F214-I218 HydrophobicContact CD1-CG1 4.37Å; F214-I218 HydrophobicContact CE1-CG1 3.93Å; F214-I218 HydrophobicContact CE2-CD1 4.41Å; F214-I218 HydrophobicContact CE2-CG1 4.26Å; F214-I218 HydrophobicContact CZ-CD1 4.19Å; F214-I218 HydrophobicContact CZ-CG1 3.87Å; F214-I218 WeakPolarHBondContact O-CG1 3.39Å; F214-I218 PolarHBondContact O-N 3.19Å; Y215-I218 PolarHBondContact O-N 3.34Å; R216-I218 VanDerWaalsContact C-N 3.27Å; R216-I218 PolarHBondContact O-N 3.02Å; I218-K220 VanDerWaalsContact C-N 3.3Å; I218-K220 PolarHBondContact O-N 3Å; I218-F222 HydrophobicContact CG2-CD2 4.43Å; I218-F222 VanDerWaalsContact O-CB 3.26Å; I218-F222 WeakPolarHBondContact O-CB 3.22Å; I218-F222 PolarHBondContact O-N 3.39Å; I218-F222 VanDerWaalsContact O-N 3.14Å
219D90.7Very high93Very high86 Ų8674.2 Ų74.246%0.4637%0.371SS..Hα-helixtrans-60-36.7-174.4-171.980.3000113.4Y215Y215-D219 HydrophobicContact CD1-CB 4.13Å; Y215-D219 HydrophobicContact CE1-CB 3.79Å; Y215-D219 WeakPolarHBondContact O-CB 3.45Å; Y215-D219 PolarHBondContact O-N 3.23Å
220K91.1Very high93.1Very high135 Ų13579.2 Ų79.259%0.58740%0.396SS*.Hα-helixtrans-108-18.8-176.5-56.8-58-176-169.10114.3L26 R216 I218L26-K220 HydrophobicContact CD1-CB 4.4Å; L26-K220 HydrophobicContact CD2-CB 3.68Å; R216-K220 HydrophobicContact CG-CG 4.32Å; R216-K220 WeakPolarHBondContact O-CB 3.27Å; R216-K220 PolarHBondContact O-N 2.96Å; I218-K220 VanDerWaalsContact C-N 3.3Å; I218-K220 PolarHBondContact O-N 3Å
221G91.8Very high93.3Very high1 Ų179.7 Ų79.71%0.0139%0.394CS..Hα-helixtrans-119.63.7-170.500000115.2L217 G223 I224 L225L217-G221 CarbonylContact O-C 3.58Å; L217-G221 VanDerWaalsContact O-C 3.29Å; L217-G221 WeakPolarHBondContact O-CA 3.32Å; L217-G221 PolarHBondContact O-N 3.31Å; G221-G223 PolarHBondContact O-N 3.39Å; G221-I224 PolarHBondContact O-N 3.42Å; G221-I224 VanDerWaalsContact O-N 3.14Å; G221-L225 WeakPolarHBondContact O-CB 3.38Å; G221-L225 PolarHBondContact O-N 2.96Å
222F93.2Very high93.5Very high119 Ų11973.9 Ų73.952%0.52236%0.364SS..Hα-helixtrans-52-49.2-173-173.5-110.5000114.1I218 I224 L225 I226I218-F222 HydrophobicContact CG2-CD2 4.43Å; I218-F222 VanDerWaalsContact O-CB 3.26Å; I218-F222 WeakPolarHBondContact O-CB 3.22Å; I218-F222 PolarHBondContact O-N 3.39Å; I218-F222 VanDerWaalsContact O-N 3.14Å; F222-I224 PolarHBondContact O-N 2.82Å; F222-L225 WeakPolarHBondContact O-CB 3.32Å; F222-L225 PolarHBondContact O-N 2.86Å; F222-I226 HydrophobicContact CD1-CD1 3.93Å; F222-I226 HydrophobicContact CE1-CD1 3.39Å; F222-I226 HydrophobicContact CE1-CG1 4.46Å; F222-I226 HydrophobicContact CE2-CD1 4.27Å; F222-I226 HydrophobicContact CZ-CD1 3.6Å; F222-I226 HydrophobicContact CZ-CG1 4.4Å; F222-I226 PolarHBondContact O-N 2.72Å
223G94.3Very high93.6Very high53 Ų5371.4 Ų71.455%0.54636%0.361SS..Hα-helixtrans-62.3-41.6-179.600000113.1G221 I226 F227G221-G223 PolarHBondContact O-N 3.39Å; G223-I226 PolarHBondContact O-N 2.56Å; G223-F227 PolarHBondContact O-N 3.15Å; G223-F227 VanDerWaalsContact O-N 3.1Å
224I94.3Very high93.7Very high82 Ų8272.2 Ų72.242%0.42137%0.37SS..Hα-helixtrans-69.9-36.1177.9-61.3166000110.5L22 G221 F222 F227 I228L22-I224 HydrophobicContact CD1-CB 4.11Å; L22-I224 HydrophobicContact CD1-CD1 3.9Å; L22-I224 HydrophobicContact CD1-CG2 3.92Å; L22-I224 HydrophobicContact CD2-CB 4.15Å; L22-I224 HydrophobicContact CD2-CG2 4.04Å; L22-I224 HydrophobicContact CG-CG2 4.47Å; G221-I224 PolarHBondContact O-N 3.42Å; G221-I224 VanDerWaalsContact O-N 3.14Å; F222-I224 PolarHBondContact O-N 2.82Å; I224-F227 WeakPolarHBondContact O-CB 3.5Å; I224-F227 PolarHBondContact O-N 3.21Å; I224-I228 HydrophobicContact CG2-CD1 3.83Å; I224-I228 HydrophobicContact CG2-CG1 4.28Å; I224-I228 VanDerWaalsContact O-CG1 3.29Å; I224-I228 WeakPolarHBondContact O-CG1 3.42Å; I224-I228 PolarHBondContact O-N 3.03Å
225L93.9Very high93.8Very high32 Ų3266.7 Ų66.717%0.16835%0.35CS..Hα-helixtrans-62.6-43.1176.8-169120.5000111.9V19 L22 L217 G221 F222 F227 I228 L229V19-L225 HydrophobicContact CG2-CD1 4.09Å; L22-L225 HydrophobicContact CD2-CB 4.43Å; L217-L225 HydrophobicContact CD2-CD1 3.84Å; L217-L225 HydrophobicContact CG-CD1 4.08Å; G221-L225 WeakPolarHBondContact O-CB 3.38Å; G221-L225 PolarHBondContact O-N 2.96Å; F222-L225 WeakPolarHBondContact O-CB 3.32Å; F222-L225 PolarHBondContact O-N 2.86Å; L225-F227 VanDerWaalsContact C-N 3.32Å; L225-I228 PolarHBondContact O-N 2.98Å; L225-L229 PolarHBondContact O-N 3.05Å
226I94.8Very high93.8Very high72 Ų7260.4 Ų60.437%0.36933%0.329SS..Hα-helixtrans-61.3-43.7172.6-69.5174.1000110.5F222 G223 I228 L229 L230F222-I226 HydrophobicContact CD1-CD1 3.93Å; F222-I226 HydrophobicContact CE1-CD1 3.39Å; F222-I226 HydrophobicContact CE1-CG1 4.46Å; F222-I226 HydrophobicContact CE2-CD1 4.27Å; F222-I226 HydrophobicContact CZ-CD1 3.6Å; F222-I226 HydrophobicContact CZ-CG1 4.4Å; F222-I226 PolarHBondContact O-N 2.72Å; G223-I226 PolarHBondContact O-N 2.56Å; I226-I228 PolarHBondContact O-N 3.28Å; I226-L229 WeakPolarHBondContact O-CB 3.45Å; I226-L229 PolarHBondContact O-N 3.08Å; I226-L230 HydrophobicContact CG2-CD1 4Å; I226-L230 HydrophobicContact CG2-CG 4.3Å; I226-L230 WeakPolarHBondContact O-CG 3.41Å; I226-L230 PolarHBondContact O-N 3.04Å
227F95.7Very high93.6Very high129 Ų12964.5 Ų64.557%0.56635%0.348SS*.Hα-helixtrans-62.7-43.5180-174.8-109.9000112.5G223 I224 L225 L229 L230 I231G223-F227 PolarHBondContact O-N 3.15Å; G223-F227 VanDerWaalsContact O-N 3.1Å; I224-F227 WeakPolarHBondContact O-CB 3.5Å; I224-F227 PolarHBondContact O-N 3.21Å; L225-F227 VanDerWaalsContact C-N 3.32Å; F227-L229 VanDerWaalsContact C-N 3.31Å; F227-L229 PolarHBondContact O-N 3.14Å; F227-L230 PolarHBondContact O-N 3.1Å; F227-I231 HydrophobicContact CD1-CD1 3.75Å; F227-I231 HydrophobicContact CE1-CD1 3.26Å; F227-I231 HydrophobicContact CE1-CG1 4.33Å; F227-I231 HydrophobicContact CE2-CD1 4.22Å; F227-I231 HydrophobicContact CG-CD1 4.42Å; F227-I231 HydrophobicContact CZ-CD1 3.54Å; F227-I231 HydrophobicContact CZ-CG1 4.29Å; F227-I231 WeakPolarHBondContact O-CG1 3.18Å; F227-I231 PolarHBondContact O-N 3.43Å
228I95.7Very high93.5Very high24 Ų2469.7 Ų69.712%0.12338%0.375CS..Hα-helixtrans-60-42.6174.2-66.9160.6000110.5F15 L22 I224 L225 I226 I231 A232F15-I228 HydrophobicContact CD2-CG2 3.84Å; F15-I228 HydrophobicContact CE2-CG2 4.39Å; L22-I228 HydrophobicContact CB-CD1 4.35Å; L22-I228 HydrophobicContact CD2-CD1 4.29Å; I224-I228 HydrophobicContact CG2-CD1 3.83Å; I224-I228 HydrophobicContact CG2-CG1 4.28Å; I224-I228 VanDerWaalsContact O-CG1 3.29Å; I224-I228 WeakPolarHBondContact O-CG1 3.42Å; I224-I228 PolarHBondContact O-N 3.03Å; L225-I228 PolarHBondContact O-N 2.98Å; I226-I228 PolarHBondContact O-N 3.28Å; I228-I231 PolarHBondContact O-N 2.9Å; I228-A232 WeakPolarHBondContact O-CB 3.42Å; I228-A232 PolarHBondContact O-N 3.45Å
229L94.9Very high93.2Very high84 Ų8469.4 Ų69.444%0.4437%0.374SS..Hα-helixtrans-62.3-45.6176.6-176.763000111.9F15 L225 I226 F227 I231 A232 C233F15-L229 HydrophobicContact CD2-CB 4.17Å; F15-L229 HydrophobicContact CD2-CD1 4.02Å; F15-L229 HydrophobicContact CE2-CB 3.89Å; F15-L229 HydrophobicContact CE2-CD1 4.03Å; L225-L229 PolarHBondContact O-N 3.05Å; I226-L229 WeakPolarHBondContact O-CB 3.45Å; I226-L229 PolarHBondContact O-N 3.08Å; F227-L229 VanDerWaalsContact C-N 3.31Å; F227-L229 PolarHBondContact O-N 3.14Å; L229-I231 PolarHBondContact O-N 3.1Å; L229-A232 PolarHBondContact O-N 2.85Å; L229-C233 WeakPolarHBondContact O-CB 3.47Å; L229-C233 PolarHBondContact O-N 3.21Å; L229-C233 PolarHBondContact O-SG 3.05Å
230L96.4Very high92.9Very high110 Ų11067.6 Ų67.658%0.57637%0.365SS*.Hα-helixtrans-62.5-42.2178.5-72174.6000112I226 F227 C233 A234I226-L230 HydrophobicContact CG2-CD1 4Å; I226-L230 HydrophobicContact CG2-CG 4.3Å; I226-L230 WeakPolarHBondContact O-CG 3.41Å; I226-L230 PolarHBondContact O-N 3.04Å; F227-L230 PolarHBondContact O-N 3.1Å; L230-C233 PolarHBondContact O-N 3.35Å; L230-A234 VanDerWaalsContact O-CB 3.28Å; L230-A234 WeakPolarHBondContact O-CB 3.29Å; L230-A234 PolarHBondContact O-N 3.42Å
231I95.7Very high92.4Very high83 Ų8368.2 Ų68.243%0.42636%0.363SS..Hα-helixtrans-62.6-46175.3-71.7174.3000110.8F227 I228 L229 C233 A234 A235F227-I231 HydrophobicContact CD1-CD1 3.75Å; F227-I231 HydrophobicContact CE1-CD1 3.26Å; F227-I231 HydrophobicContact CE1-CG1 4.33Å; F227-I231 HydrophobicContact CE2-CD1 4.22Å; F227-I231 HydrophobicContact CG-CD1 4.42Å; F227-I231 HydrophobicContact CZ-CD1 3.54Å; F227-I231 HydrophobicContact CZ-CG1 4.29Å; F227-I231 WeakPolarHBondContact O-CG1 3.18Å; F227-I231 PolarHBondContact O-N 3.43Å; I228-I231 PolarHBondContact O-N 2.9Å; L229-I231 PolarHBondContact O-N 3.1Å; I231-C233 VanDerWaalsContact C-N 3.35Å; I231-C233 PolarHBondContact O-N 3.19Å; I231-A234 PolarHBondContact O-N 3.48Å; I231-A235 WeakPolarHBondContact O-CB 3.32Å; I231-A235 PolarHBondContact O-N 3.02Å
232A95.1Very high91.8Very high3 Ų376.3 Ų76.33%0.02539%0.394CS..Hα-helixtrans-60.2-45178.300000111.5A11 L14 F15 I228 L229 A235 A236A11-A232 HydrophobicContact CB-CB 4.25Å; A11-A232 VanDerWaalsContact CB-O 3.32Å; A11-A232 WeakPolarHBondContact CB-O 3.33Å; A11-A232 WeakPolarHBondContact O-CB 3.36Å; L14-A232 HydrophobicContact CB-CB 4.39Å; F15-A232 HydrophobicContact CB-CB 4.16Å; I228-A232 WeakPolarHBondContact O-CB 3.42Å; I228-A232 PolarHBondContact O-N 3.45Å; L229-A232 PolarHBondContact O-N 2.85Å; A232-A235 PolarHBondContact O-N 3.38Å; A232-A236 PolarHBondContact O-N 3.32Å
233C94.6Very high90.8Very high71 Ų7174.5 Ų74.548%0.4839%0.386SS..Hα-helixtrans-64.4-43.6176.2-71.40000112.5L229 L230 I231 A235 A236 F237L229-C233 WeakPolarHBondContact O-CB 3.47Å; L229-C233 PolarHBondContact O-N 3.21Å; L229-C233 PolarHBondContact O-SG 3.05Å; L230-C233 PolarHBondContact O-N 3.35Å; I231-C233 VanDerWaalsContact C-N 3.35Å; I231-C233 PolarHBondContact O-N 3.19Å; C233-A235 VanDerWaalsContact C-N 3.35Å; C233-A236 PolarHBondContact O-N 3.37Å; C233-F237 WeakPolarHBondContact O-CB 3.38Å; C233-F237 PolarHBondContact O-N 2.98Å
234A94.5Very high89.6Confident49 Ų4976 Ų7641%0.40538%0.382SS..Hα-helixtrans-62.8-42177.100000111.5L230 I231 F237 L238L230-A234 VanDerWaalsContact O-CB 3.28Å; L230-A234 WeakPolarHBondContact O-CB 3.29Å; L230-A234 PolarHBondContact O-N 3.42Å; I231-A234 PolarHBondContact O-N 3.48Å; A234-F237 PolarHBondContact O-N 3.11Å; A234-L238 WeakPolarHBondContact O-CB 3.01Å; A234-L238 VanDerWaalsContact O-CG 3.28Å; A234-L238 WeakPolarHBondContact O-CG 3.48Å; A234-L238 PolarHBondContact O-N 3.02Å
235A92.5Very high88Confident25 Ų2579.5 Ų79.521%0.20739%0.394CS..Hα-helixtrans-61.9-45175.400000111.9L14 I231 A232 C233 F237 L238 L239L14-A235 HydrophobicContact CD1-CB 3.81Å; I231-A235 WeakPolarHBondContact O-CB 3.32Å; I231-A235 PolarHBondContact O-N 3.02Å; A232-A235 PolarHBondContact O-N 3.38Å; C233-A235 VanDerWaalsContact C-N 3.35Å; A235-F237 PolarHBondContact O-N 3.16Å; A235-L238 PolarHBondContact O-N 3.07Å; A235-L239 WeakPolarHBondContact O-CB 3.28Å; A235-L239 WeakPolarHBondContact O-CG 3.39Å; A235-L239 PolarHBondContact O-N 3.37Å
236A91.7Very high86.1Confident18 Ų1882.4 Ų82.415%0.14942%0.417CS..Hα-helixtrans-59.8-45.8173.500000112.1P7 A11 A232 C233 L238 L239 D240P7-A236 HydrophobicContact CB-CB 4.24Å; P7-A236 WeakPolarHBondContact CB-O 3.44Å; A11-A236 HydrophobicContact CB-CB 3.76Å; A232-A236 PolarHBondContact O-N 3.32Å; C233-A236 PolarHBondContact O-N 3.37Å; A236-L238 PolarHBondContact O-N 2.91Å; A236-L239 PolarHBondContact O-N 2.7Å; A236-D240 WeakPolarHBondContact O-CB 3.49Å; A236-D240 PolarHBondContact O-N 2.9Å
237F89.7Confident84.8Confident113 Ų11380.5 Ų80.550%0.49641%0.412SS..Hα-helixtrans-61.3-44.4179.2176.9-98.3000112.2C233 A234 A235 D240 R241C233-F237 WeakPolarHBondContact O-CB 3.38Å; C233-F237 PolarHBondContact O-N 2.98Å; A234-F237 PolarHBondContact O-N 3.11Å; A235-F237 PolarHBondContact O-N 3.16Å; F237-D240 PolarHBondContact O-N 3.39Å; F237-R241 HydrophobicContact CD1-CG 4.41Å; F237-R241 HydrophobicContact CE1-CG 4.02Å; F237-R241 HydrophobicContact CE2-CG 4.26Å; F237-R241 HydrophobicContact CZ-CG 3.95Å; F237-R241 WeakPolarHBondContact O-CB 3.45Å; F237-R241 VanDerWaalsContact O-CG 3.27Å; F237-R241 WeakPolarHBondContact O-CG 3.33Å; F237-R241 PolarHBondContact O-N 2.83Å
238L89.1Confident84.1Confident117 Ų11777.6 Ų77.661%0.61341%0.405SS*.Hα-helixtrans-66.3-41.1178.4-70.2173.6000112A234 A235 A236 R241 Y242A234-L238 WeakPolarHBondContact O-CB 3.01Å; A234-L238 VanDerWaalsContact O-CG 3.28Å; A234-L238 WeakPolarHBondContact O-CG 3.48Å; A234-L238 PolarHBondContact O-N 3.02Å; A235-L238 PolarHBondContact O-N 3.07Å; A236-L238 PolarHBondContact O-N 2.91Å; L238-R241 PolarHBondContact O-N 3.19Å; L238-Y242 WeakPolarHBondContact O-CB 3.36Å; L238-Y242 PolarHBondContact O-N 2.9Å
239L87Confident83.5Confident52 Ų5280.4 Ų80.427%0.27243%0.425SS..Hα-helixtrans-66.1-44176.2-76172.6000111.9P7 V10 A235 A236 R241 Y242 F243P7-L239 HydrophobicContact CB-CB 4Å; P7-L239 HydrophobicContact CG-CB 4.01Å; V10-L239 HydrophobicContact CB-CD1 3.98Å; V10-L239 HydrophobicContact CG1-CD1 3.79Å; V10-L239 HydrophobicContact CG2-CD1 4.17Å; A235-L239 WeakPolarHBondContact O-CB 3.28Å; A235-L239 WeakPolarHBondContact O-CG 3.39Å; A235-L239 PolarHBondContact O-N 3.37Å; A236-L239 PolarHBondContact O-N 2.7Å; L239-R241 VanDerWaalsContact C-N 3.3Å; L239-R241 PolarHBondContact O-N 3.46Å; L239-Y242 PolarHBondContact O-N 3.26Å; L239-Y242 VanDerWaalsContact O-N 3.12Å; L239-F243 HydrophobicContact CB-CD2 4.44Å; L239-F243 HydrophobicContact CB-CE2 4.39Å; L239-F243 HydrophobicContact CD2-CE2 4.17Å; L239-F243 WeakPolarHBondContact O-CD2 3.45Å; L239-F243 PolarHBondContact O-N 3.01Å
240D83.8Confident83.3Confident48 Ų4880.8 Ų80.826%0.25743%0.425SS..Hα-helixtrans-59.7-44.5175.1-17575.1000110.5P7 A236 F237 Y242 F243 N244P7-D240 HydrophobicContact CB-CB 4.41Å; P7-D240 HydrophobicContact CG-CB 4.15Å; A236-D240 WeakPolarHBondContact O-CB 3.49Å; A236-D240 PolarHBondContact O-N 2.9Å; F237-D240 PolarHBondContact O-N 3.39Å; D240-Y242 VanDerWaalsContact C-N 3.3Å; D240-Y242 PolarHBondContact O-N 2.86Å; D240-F243 PolarHBondContact O-N 3.36Å; D240-N244 WeakPolarHBondContact O-CB 3.26Å; D240-N244 VanDerWaalsContact O-CG 3.3Å; D240-N244 PolarHBondContact O-N 3.08Å; D240-N244 PolarHBondContact O-ND2 2.79Å; D240-N244 PolarHBondContact OD1-ND2 2.83Å; D240-N244 PolarHBondContact OD2-ND2 3.44Å
241R81.9Confident83Confident147 Ų14780.2 Ų80.256%0.55542%0.419SS*.Hα-helixtrans-63.8-31.9174.5-74.7-73.1172.1121.3-1.6113.5F237 L238 L239 K245F237-R241 HydrophobicContact CD1-CG 4.41Å; F237-R241 HydrophobicContact CE1-CG 4.02Å; F237-R241 HydrophobicContact CE2-CG 4.26Å; F237-R241 HydrophobicContact CZ-CG 3.95Å; F237-R241 WeakPolarHBondContact O-CB 3.45Å; F237-R241 VanDerWaalsContact O-CG 3.27Å; F237-R241 WeakPolarHBondContact O-CG 3.33Å; F237-R241 PolarHBondContact O-N 2.83Å; L238-R241 PolarHBondContact O-N 3.19Å; L239-R241 VanDerWaalsContact C-N 3.3Å; L239-R241 PolarHBondContact O-N 3.46Å; R241-K245 WeakPolarHBondContact O-CA 3.36Å; R241-K245 WeakPolarHBondContact O-CB 3.43Å; R241-K245 VanDerWaalsContact O-CG 3.24Å; R241-K245 WeakPolarHBondContact O-CG 3.31Å; R241-K245 PolarHBondContact O-N 2.83Å
242Y79.6Confident82.7Confident171 Ų17180 Ų8067%0.67142%0.418SS*.Hα-helixtrans-72.8-47.1176.4179.9-98.8000111.4L238 L239 D240 K245L238-Y242 WeakPolarHBondContact O-CB 3.36Å; L238-Y242 PolarHBondContact O-N 2.9Å; L239-Y242 PolarHBondContact O-N 3.26Å; L239-Y242 VanDerWaalsContact O-N 3.12Å; D240-Y242 VanDerWaalsContact C-N 3.3Å; D240-Y242 PolarHBondContact O-N 2.86Å; Y242-K245 PolarHBondContact O-N 3.34Å
243F72.4Confident82.6Confident81 Ų8179.9 Ų79.936%0.35542%0.417SS..Hα-helixtrans-72.7-27.2179.1-71.1-60.5000113.7N3 I6 P7 L239 D240N3-F243 HydrophobicContact CB-CB 4.28Å; I6-F243 HydrophobicContact CG2-CE2 4.12Å; P7-F243 HydrophobicContact CG-CD2 4.31Å; L239-F243 HydrophobicContact CB-CD2 4.44Å; L239-F243 HydrophobicContact CB-CE2 4.39Å; L239-F243 HydrophobicContact CD2-CE2 4.17Å; L239-F243 WeakPolarHBondContact O-CD2 3.45Å; L239-F243 PolarHBondContact O-N 3.01Å; D240-F243 PolarHBondContact O-N 3.36Å
244N68Low82.6Confident84 Ų8482.9 Ų82.945%0.44942%0.418SS..SBendtrans-96.9-3.9175.4-62.4-27.8000112.6D240 S246D240-N244 WeakPolarHBondContact O-CB 3.26Å; D240-N244 VanDerWaalsContact O-CG 3.3Å; D240-N244 PolarHBondContact O-N 3.08Å; D240-N244 PolarHBondContact O-ND2 2.79Å; D240-N244 PolarHBondContact OD1-ND2 2.83Å; D240-N244 PolarHBondContact OD2-ND2 3.44Å; N244-S246 PolarHBondContact O-N 3.43Å
245K60.3Low82.4Confident156 Ų15687 Ų8768%0.67842%0.423SS*.SBendtrans-67.3104.6172.8-115.7179.6171.2-176.80108.2R241 Y242R241-K245 WeakPolarHBondContact O-CA 3.36Å; R241-K245 WeakPolarHBondContact O-CB 3.43Å; R241-K245 VanDerWaalsContact O-CG 3.24Å; R241-K245 WeakPolarHBondContact O-CG 3.31Å; R241-K245 PolarHBondContact O-N 2.83Å; Y242-K245 PolarHBondContact O-N 3.34Å
246S55.2Low82.5Confident94 Ų9485.9 Ų85.966%0.65741%0.414SS*.  trans53.372142.1-48.10000114.4N244 T248N244-S246 PolarHBondContact O-N 3.43Å; S246-T248 PolarHBondContact O-N 2.86Å
247A66.3Low82.6Confident32 Ų3285.3 Ų85.326%0.26441%0.408SS..  trans-51120.7147.100000106E251 I252A247-E251 HydrophobicContact CB-CB 4.23Å; A247-E251 HydrophobicContact CB-CG 4.41Å; A247-I252 HydrophobicContact CB-CD1 4.33Å; A247-I252 HydrophobicContact CB-CG1 3.63Å; A247-I252 WeakPolarHBondContact O-CD1 3.38Å
248T81Confident82.8Confident67 Ų6785.8 Ų85.841%0.41142%0.416SS..  trans-57.9155.2178.560.50000108.3S246 E250 E251 I252S246-T248 PolarHBondContact O-N 2.86Å; T248-E250 PolarHBondContact O-N 3.07Å; T248-E251 PolarHBondContact O-N 2.88Å; T248-E251 PolarHBondContact OG1-N 3.49Å; T248-I252 WeakPolarHBondContact O-CG1 3.43Å; T248-I252 PolarHBondContact O-N 3.32Å
249P84.5Confident83Confident84 Ų8485 Ų8555%0.54541%0.412SS..Hα-helixtrans-48.7-35.8174.1-29.236.2000112.4I252 L253 L302P249-I252 PolarHBondContact O-N 3.1Å; P249-L253 WeakPolarHBondContact O-CB 3.36Å; P249-L253 PolarHBondContact O-N 2.77Å; P249-L302 HydrophobicContact CB-CD1 4.36Å; P249-L302 HydrophobicContact CB-CD2 3.56Å
250E90.4Very high83.2Confident91 Ų9184 Ų8443%0.42541%0.414SS..Hα-helixtrans-63.5-44.2174.4-58.4174.3-169.700113T248 L253 R254 L302 L308T248-E250 PolarHBondContact O-N 3.07Å; E250-L253 PolarHBondContact O-N 3.28Å; E250-R254 VanDerWaalsContact O-CB 3.29Å; E250-R254 WeakPolarHBondContact O-CB 3.34Å; E250-R254 PolarHBondContact O-N 2.86Å; E250-L302 HydrophobicContact CG-CD1 3.89Å; E250-L308 HydrophobicContact CB-CD1 4.48Å; E250-L308 VanDerWaalsContact O-CD1 3.31Å; E250-L308 WeakPolarHBondContact O-CD1 2.97Å
251E89Confident83.8Confident98 Ų9883.8 Ų83.846%0.45841%0.412SS..Hα-helixtrans-70.1-35.9178.9-168.3174.1-178.400112A247 T248 R255A247-E251 HydrophobicContact CB-CB 4.23Å; A247-E251 HydrophobicContact CB-CG 4.41Å; T248-E251 PolarHBondContact O-N 2.88Å; T248-E251 PolarHBondContact OG1-N 3.49Å; E251-R255 WeakPolarHBondContact O-CB 3.19Å; E251-R255 PolarHBondContact O-N 3.33Å
252I89.9Confident84.5Confident80 Ų8076.9 Ų76.941%0.4139%0.386SS..Hα-helixtrans-62.7-48.1172.7-61.5173.1000109.8A247 T248 P249 R255 A256 W286A247-I252 HydrophobicContact CB-CD1 4.33Å; A247-I252 HydrophobicContact CB-CG1 3.63Å; A247-I252 WeakPolarHBondContact O-CD1 3.38Å; T248-I252 WeakPolarHBondContact O-CG1 3.43Å; T248-I252 PolarHBondContact O-N 3.32Å; P249-I252 PolarHBondContact O-N 3.1Å; I252-R255 PolarHBondContact O-N 3.2Å; I252-A256 WeakPolarHBondContact O-CB 3.35Å; I252-A256 PolarHBondContact O-N 3.09Å; I252-W286 HydrophobicContact CG2-CH2 3.85Å; I252-W286 HydrophobicContact CG2-CZ2 3.86Å
253L93.3Very high85.3Confident0 Ų070 Ų700%036%0.362CS..Hα-helixtrans-63.5-44.2178.3179.359.3000111.8P249 E250 R255 A256 I257 I262 W286 F299 L302 A303 L308P249-L253 WeakPolarHBondContact O-CB 3.36Å; P249-L253 PolarHBondContact O-N 2.77Å; E250-L253 PolarHBondContact O-N 3.28Å; L253-R255 VanDerWaalsContact C-N 3.29Å; L253-R255 PolarHBondContact O-N 3.43Å; L253-A256 WeakPolarHBondContact O-CB 3.45Å; L253-A256 PolarHBondContact O-N 2.63Å; L253-A256 VanDerWaalsContact O-N 3.13Å; L253-I257 HydrophobicContact CD1-CD1 4.27Å; L253-I257 HydrophobicContact CD1-CG1 4.35Å; L253-I257 HydrophobicContact CG-CD1 4.03Å; L253-I257 WeakPolarHBondContact O-CG1 3.32Å; L253-I257 PolarHBondContact O-N 2.94Å; L253-I262 HydrophobicContact CD1-CD1 4.22Å; L253-W286 HydrophobicContact CB-CH2 4.31Å; L253-W286 HydrophobicContact CD1-CE3 4.19Å; L253-W286 HydrophobicContact CD1-CH2 4.23Å; L253-W286 HydrophobicContact CD1-CZ3 3.9Å; L253-F299 HydrophobicContact CD1-CB 4.31Å; L253-F299 HydrophobicContact CD1-CD2 4.34Å; L253-L302 HydrophobicContact CB-CD2 4.42Å; L253-L302 HydrophobicContact CD2-CB 4.43Å; L253-L302 HydrophobicContact CD2-CD2 4.13Å; L253-L302 HydrophobicContact CD2-CG 4.08Å; L253-A303 HydrophobicContact CD2-CB 3.85Å; L253-L308 HydrophobicContact CB-CD1 4.14Å; L253-L308 HydrophobicContact CD2-CB 4.35Å; L253-L308 HydrophobicContact CD2-CD1 4.03Å; L253-L308 HydrophobicContact CG-CD1 4.05Å
254R94.3Very high86.5Confident134 Ų13466.3 Ų66.351%0.50635%0.346SS..Hα-helixtrans-58.1-43.1175.9-173.4-178.9-62.8-103.6-2111.5E250 I257 N258 L308E250-R254 VanDerWaalsContact O-CB 3.29Å; E250-R254 WeakPolarHBondContact O-CB 3.34Å; E250-R254 PolarHBondContact O-N 2.86Å; R254-I257 PolarHBondContact O-N 2.87Å; R254-N258 VanDerWaalsContact O-CG 3.29Å; R254-N258 PolarHBondContact O-N 2.82Å; R254-N258 VanDerWaalsContact O-N 3.1Å; R254-N258 PolarHBondContact O-ND2 3.13Å; R254-L308 HydrophobicContact CB-CD1 4.05Å; R254-L308 HydrophobicContact CB-CD2 4.03Å; R254-L308 HydrophobicContact CG-CD2 4.07Å
255R91.6Very high87.9Confident136 Ų13663.4 Ų63.451%0.51333%0.33SS..Hα-helixtrans-63.8-43.5175.7-172.2-178.8-63.51614.4111.4E251 I252 L253 I257 N258 N259E251-R255 WeakPolarHBondContact O-CB 3.19Å; E251-R255 PolarHBondContact O-N 3.33Å; I252-R255 PolarHBondContact O-N 3.2Å; L253-R255 VanDerWaalsContact C-N 3.29Å; L253-R255 PolarHBondContact O-N 3.43Å; R255-I257 PolarHBondContact O-N 3.03Å; R255-N258 PolarHBondContact O-N 2.79Å; R255-N259 VanDerWaalsContact O-CB 3.31Å; R255-N259 WeakPolarHBondContact O-CB 3.15Å; R255-N259 PolarHBondContact O-N 3.49Å
256A92.9Very high89.7Confident1 Ų156 Ų561%0.00830%0.297CS..Hα-helixtrans-61.1-43.4177.700000112.6I252 L253 N259 G260 E261 I262 W286I252-A256 WeakPolarHBondContact O-CB 3.35Å; I252-A256 PolarHBondContact O-N 3.09Å; L253-A256 WeakPolarHBondContact O-CB 3.45Å; L253-A256 PolarHBondContact O-N 2.63Å; L253-A256 VanDerWaalsContact O-N 3.13Å; A256-N259 PolarHBondContact O-N 2.9Å; A256-G260 PolarHBondContact O-N 2.88Å; A256-E261 HydrophobicContact CB-CB 3.99Å; A256-E261 WeakPolarHBondContact CB-OE2 3.37Å; A256-E261 WeakPolarHBondContact O-CB 3.14Å; A256-E261 PolarHBondContact O-N 3.24Å; A256-I262 HydrophobicContact CB-CD1 4.48Å; A256-W286 HydrophobicContact CB-CD2 4.41Å; A256-W286 VanDerWaalsContact CB-CE2 3.45Å; A256-W286 HydrophobicContact CB-CH2 4.41Å; A256-W286 HydrophobicContact CB-CZ2 3.46Å; A256-W286 VanDerWaalsContact CB-CZ2 3.46Å; A256-W286 VanDerWaalsContact CB-NE1 3.35Å
257I95.2Very high91.7Very high6 Ų652.4 Ų52.43%0.03127%0.27CS..Hα-helixtrans-59.3-50.6175-66.3161.4000110.4L253 R254 R255 N259 G260 I262 L308 P311 L312L253-I257 HydrophobicContact CD1-CD1 4.27Å; L253-I257 HydrophobicContact CD1-CG1 4.35Å; L253-I257 HydrophobicContact CG-CD1 4.03Å; L253-I257 WeakPolarHBondContact O-CG1 3.32Å; L253-I257 PolarHBondContact O-N 2.94Å; R254-I257 PolarHBondContact O-N 2.87Å; R255-I257 PolarHBondContact O-N 3.03Å; I257-N259 VanDerWaalsContact C-N 3.29Å; I257-N259 PolarHBondContact O-N 3.19Å; I257-G260 PolarHBondContact O-N 3.25Å; I257-G260 VanDerWaalsContact O-N 3.08Å; I257-I262 HydrophobicContact CG1-CG1 3.9Å; I257-L308 HydrophobicContact CD1-CB 4.04Å; I257-L308 HydrophobicContact CD1-CD2 4.45Å; I257-P311 HydrophobicContact CG2-CB 4.42Å; I257-L312 HydrophobicContact CD1-CB 3.81Å; I257-L312 HydrophobicContact CD1-CD1 4.29Å; I257-L312 HydrophobicContact CD1-CG 4.39Å; I257-L312 HydrophobicContact CG1-CB 4.09Å; I257-L312 HydrophobicContact CG1-CD1 4.34Å; I257-L312 HydrophobicContact CG1-CG 4.28Å
258N93.1Very high93.1Very high122 Ų12250.9 Ų50.965%0.65226%0.257SS*.Hα-helixtrans-64.3-32.5-179.1-70.9-12.4000113.1R254 R255 G260R254-N258 VanDerWaalsContact O-CG 3.29Å; R254-N258 PolarHBondContact O-N 2.82Å; R254-N258 VanDerWaalsContact O-N 3.1Å; R254-N258 PolarHBondContact O-ND2 3.13Å; R255-N258 PolarHBondContact O-N 2.79Å; N258-G260 VanDerWaalsContact C-N 3.25Å; N258-G260 PolarHBondContact O-N 3.31Å
259N92.5Very high93.8Very high100 Ų10048.3 Ų48.354%0.53524%0.242SC..THydrogen-bonded Turntrans-79.7-3.8177.1-72.3-9.2000113.3R255 A256 I257 E261R255-N259 VanDerWaalsContact O-CB 3.31Å; R255-N259 WeakPolarHBondContact O-CB 3.15Å; R255-N259 PolarHBondContact O-N 3.49Å; A256-N259 PolarHBondContact O-N 2.9Å; I257-N259 VanDerWaalsContact C-N 3.29Å; I257-N259 PolarHBondContact O-N 3.19Å; N259-E261 VanDerWaalsContact C-N 3.29Å; N259-E261 HydrophobicContact CB-CG 3.83Å; N259-E261 WeakPolarHBondContact CB-OE1 3.34Å; N259-E261 PolarHBondContact ND2-OE1 3.45Å; N259-E261 PolarHBondContact O-N 3.37Å
260G92.8Very high94.3Very high31 Ų3144.4 Ų44.432%0.3222%0.216SC..THydrogen-bonded Turntrans67.928.5-174.300000113.4A256 I257 N258 V263A256-G260 PolarHBondContact O-N 2.88Å; I257-G260 PolarHBondContact O-N 3.25Å; I257-G260 VanDerWaalsContact O-N 3.08Å; N258-G260 VanDerWaalsContact C-N 3.25Å; N258-G260 PolarHBondContact O-N 3.31Å; G260-V263 WeakPolarHBondContact O-CG1 3.2Å
261E95.5Very high94.5Very high45 Ų4540.8 Ų40.821%0.2120%0.2CC..  trans-80-21.2177.7-65.3171.6-158.400112.2A256 N259 V263 W286 K287A256-E261 HydrophobicContact CB-CB 3.99Å; A256-E261 WeakPolarHBondContact CB-OE2 3.37Å; A256-E261 WeakPolarHBondContact O-CB 3.14Å; A256-E261 PolarHBondContact O-N 3.24Å; N259-E261 VanDerWaalsContact C-N 3.29Å; N259-E261 HydrophobicContact CB-CG 3.83Å; N259-E261 WeakPolarHBondContact CB-OE1 3.34Å; N259-E261 PolarHBondContact ND2-OE1 3.45Å; N259-E261 PolarHBondContact O-N 3.37Å; E261-V263 PolarHBondContact O-N 2.81Å; E261-W286 PolarHBondContact OE2-NE1 3.33Å; E261-K287 WeakPolarHBondContact O-CB 3.31Å; E261-K287 PolarHBondContact O-N 3.44Å
262I96.9Very high94.5Very high1 Ų136.4 Ų36.41%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-83107.7167.9-48.1-56.2000107.9L253 A256 I257 A284 W286 F299 L312 Q319L253-I262 HydrophobicContact CD1-CD1 4.22Å; A256-I262 HydrophobicContact CB-CD1 4.48Å; I257-I262 HydrophobicContact CG1-CG1 3.9Å; I262-A284 HydrophobicContact CG2-CB 3.97Å; I262-W286 HydrophobicContact CD1-CB 3.48Å; I262-W286 VanDerWaalsContact CD1-CB 3.48Å; I262-W286 HydrophobicContact CD1-CD2 3.83Å; I262-W286 HydrophobicContact CD1-CE3 4.33Å; I262-W286 HydrophobicContact CD1-CG 3.45Å; I262-W286 VanDerWaalsContact CD1-CG 3.45Å; I262-F299 HydrophobicContact CD1-CD2 4.49Å; I262-F299 HydrophobicContact CD1-CE2 4.28Å; I262-F299 HydrophobicContact CG2-CE2 4.41Å; I262-L312 HydrophobicContact CG1-CD1 4.24Å; I262-L312 HydrophobicContact CG1-CG 4.38Å; I262-L312 HydrophobicContact CG2-CD1 4.21Å; I262-L312 HydrophobicContact CG2-CD2 4.06Å; I262-L312 HydrophobicContact CG2-CG 3.98Å; I262-Q319 PolarHBondContact O-NE2 3.32Å
263V96.3Very high94.4Very high27 Ų2740.8 Ų40.816%0.16419%0.193CC..EExtended strand (participates in β ladder)trans-115.3149.3-173.1-63.30000111.5G260 E261 F265 R285 K287 Y293G260-V263 WeakPolarHBondContact O-CG1 3.2Å; E261-V263 PolarHBondContact O-N 2.81Å; V263-F265 HydrophobicContact CG2-CE2 4.36Å; V263-R285 HydrophobicContact CG2-CB 4.36Å; V263-R285 WeakPolarHBondContact CG2-O 3.46Å; V263-R285 PolarHBondContact N-O 2.93Å; V263-R285 PolarHBondContact O-N 3.13Å; V263-K287 HydrophobicContact CG2-CB 4.3Å; V263-Y293 HydrophobicContact CG2-CE1 4.02Å
264P97.6Very high94.2Very high4 Ų446 Ų463%0.02622%0.217CC..EExtended strand (participates in β ladder)trans-77128.217630.6-33.5000111.1Y266 V282 L316 Q319 V320P264-Y266 HydrophobicContact CB-CE1 4.19Å; P264-Y266 HydrophobicContact CB-CE2 4.18Å; P264-Y266 HydrophobicContact CG-CE2 4.26Å; P264-Y266 WeakPolarHBondContact CG-OH 3.29Å; P264-V282 HydrophobicContact CB-CG1 3.74Å; P264-L316 HydrophobicContact CB-CD1 3.7Å; P264-L316 HydrophobicContact CB-CG 4.43Å; P264-L316 HydrophobicContact CG-CD1 4.29Å; P264-Q319 VanDerWaalsContact CD-OE1 3.3Å; P264-Q319 HydrophobicContact CG-CB 4.01Å; P264-V320 HydrophobicContact CB-CG2 3.97Å; P264-V320 HydrophobicContact CG-CG2 4.34Å
265F97.6Very high93.8Very high23 Ų2340.7 Ų40.710%0.10120%0.204CC..EExtended strand (participates in β ladder)trans-98.7156.3154.8-87.1-134.9000108.2V263 L283 R285 Y293 P486 V487 T488V263-F265 HydrophobicContact CG2-CE2 4.36Å; F265-L283 PolarHBondContact N-O 3.44Å; F265-L283 PolarHBondContact O-N 3.3Å; F265-R285 HydrophobicContact CB-CG 3.94Å; F265-R285 HydrophobicContact CD1-CG 4.01Å; F265-R285 HydrophobicContact CD2-CB 3.81Å; F265-R285 HydrophobicContact CD2-CG 3.46Å; F265-R285 VanDerWaalsContact CD2-CG 3.46Å; F265-R285 HydrophobicContact CE1-CG 4.39Å; F265-R285 HydrophobicContact CE2-CB 4.01Å; F265-R285 HydrophobicContact CE2-CG 3.9Å; F265-R285 HydrophobicContact CG-CB 4.39Å; F265-R285 HydrophobicContact CG-CG 3.52Å; F265-R285 HydrophobicContact CZ-CG 4.34Å; F265-Y293 HydrophobicContact CE2-CD1 4.25Å; F265-Y293 AromaticContact CE2-CE1 3.6Å; F265-Y293 HydrophobicContact CE2-CE1 3.6Å; F265-Y293 HydrophobicContact CE2-CE2 4.22Å; F265-Y293 AromaticContact CE2-CZ 3.58Å; F265-Y293 HydrophobicContact CZ-CD1 4.42Å; F265-Y293 HydrophobicContact CZ-CD2 4.18Å; F265-Y293 AromaticContact CZ-CE1 3.87Å; F265-Y293 HydrophobicContact CZ-CE1 3.87Å; F265-Y293 AromaticContact CZ-CE2 3.61Å; F265-Y293 HydrophobicContact CZ-CE2 3.61Å; F265-Y293 AromaticContact CZ-CZ 3.43Å; F265-Y293 VanDerWaalsContact CZ-CZ 3.43Å; F265-P486 HydrophobicContact CB-CB 4.36Å; F265-P486 HydrophobicContact CD1-CB 4.28Å; F265-V487 CarbonylContact C-O 3.43Å; F265-V487 WeakPolarHBondContact CA-O 3.11Å; F265-T488 HydrophobicContact CE1-CG2 4.04Å; F265-T488 HydrophobicContact CE2-CG2 4.13Å; F265-T488 HydrophobicContact CZ-CG2 3.65Å
266Y97.9Very high93.8Very high0 Ų034.8 Ų34.80%018%0.183CC..EExtended strand (participates in β ladder)trans-123.4125-176.6-58.9-78.4000109.2P264 P268 V280 E281 V282 V320 Q323 M324 V487 Y489 L492P264-Y266 HydrophobicContact CB-CE1 4.19Å; P264-Y266 HydrophobicContact CB-CE2 4.18Å; P264-Y266 HydrophobicContact CG-CE2 4.26Å; P264-Y266 WeakPolarHBondContact CG-OH 3.29Å; Y266-P268 WeakPolarHBondContact O-CD 3.41Å; Y266-V280 HydrophobicContact CD1-CB 4.21Å; Y266-V280 HydrophobicContact CD1-CG2 3.84Å; Y266-E281 WeakPolarHBondContact CA-O 3.46Å; Y266-V282 HydrophobicContact CD1-CG2 4.04Å; Y266-V282 HydrophobicContact CE1-CG1 4.49Å; Y266-V282 HydrophobicContact CE1-CG2 3.85Å; Y266-V320 HydrophobicContact CE1-CG1 4.48Å; Y266-V320 HydrophobicContact CE1-CG2 4.17Å; Y266-Q323 VanDerWaalsContact CZ-OE1 3.25Å; Y266-Q323 PolarHBondContact OH-OE1 3.5Å; Y266-M324 HydrophobicContact CD1-CE 3.7Å; Y266-M324 HydrophobicContact CE1-CE 3.2Å; Y266-M324 HydrophobicContact CE2-CE 4.14Å; Y266-M324 HydrophobicContact CG-CE 4.33Å; Y266-M324 VanDerWaalsContact CZ-CE 3.44Å; Y266-V487 PolarHBondContact N-O 3.36Å; Y266-V487 WeakPolarHBondContact O-CG2 3.07Å; Y266-V487 PolarHBondContact O-N 2.96Å; Y266-Y489 HydrophobicContact CE2-CD2 4.28Å; Y266-L492 HydrophobicContact CD1-CD2 4.16Å; Y266-L492 HydrophobicContact CD2-CB 4.38Å; Y266-L492 HydrophobicContact CD2-CD2 3.78Å; Y266-L492 HydrophobicContact CE2-CD2 4.42Å; Y266-L492 HydrophobicContact CG-CD2 3.62Å
267Q97.2Very high93.8Very high18 Ų1835 Ų358%0.08418%0.184CC..EExtended strand (participates in β ladder)trans-104.8111.8171.7-170.4172.8-20.300109.3V269 V280 E281 L283 Q479 P486Q267-V269 PolarHBondContact O-N 3.37Å; Q267-V280 WeakPolarHBondContact O-CA 3.44Å; Q267-E281 PolarHBondContact N-O 2.81Å; Q267-E281 PolarHBondContact O-N 3.31Å; Q267-L283 HydrophobicContact CB-CD1 3.96Å; Q267-Q479 VanDerWaalsContact CB-NE2 3.35Å; Q267-Q479 VanDerWaalsContact CD-OE1 3.3Å; Q267-Q479 VanDerWaalsContact CG-CD 3.48Å; Q267-Q479 HydrophobicContact CG-CG 3.73Å; Q267-Q479 VanDerWaalsContact CG-NE2 3.32Å; Q267-Q479 VanDerWaalsContact NE2-CD 3.3Å; Q267-Q479 PolarHBondContact O-NE2 2.98Å; Q267-P486 HydrophobicContact CB-CB 4.46Å; Q267-P486 HydrophobicContact CB-CG 4.26Å; Q267-P486 HydrophobicContact CG-CG 4.35Å
268P96.6Very high93.7Very high0 Ų035.8 Ų35.80%019%0.186CC..EExtended strand (participates in β ladder)trans-55.4130179.1-32.939.8000114Y266 L277 Q479 Y484 L492 I495Y266-P268 WeakPolarHBondContact O-CD 3.41Å; P268-L277 HydrophobicContact CB-CD1 3.58Å; P268-L277 HydrophobicContact CG-CD1 4.42Å; P268-Q479 VanDerWaalsContact O-CG 3.29Å; P268-Q479 WeakPolarHBondContact O-CG 3.5Å; P268-Y484 HydrophobicContact CB-CD2 3.54Å; P268-Y484 HydrophobicContact CB-CE2 4.3Å; P268-Y484 HydrophobicContact CB-CG 3.93Å; P268-Y484 HydrophobicContact CG-CD1 4.46Å; P268-Y484 HydrophobicContact CG-CD2 3.87Å; P268-Y484 HydrophobicContact CG-CG 3.74Å; P268-L492 HydrophobicContact CG-CD1 4.47Å; P268-I495 HydrophobicContact CG-CD1 4.07Å
269V95.7Very high93.8Very high14 Ų1430 Ų309%0.08516%0.155CC..EExtended strand (participates in β ladder)trans-98.3129165.6-176.20000108Q267 R278 G279 V457 F477 Q479Q267-V269 PolarHBondContact O-N 3.37Å; V269-R278 PolarHBondContact O-N 2.82Å; V269-G279 PolarHBondContact N-O 2.89Å; V269-G279 PolarHBondContact O-N 3.36Å; V269-G279 VanDerWaalsContact O-N 3.11Å; V269-V457 HydrophobicContact CG1-CG1 4.26Å; V269-F477 HydrophobicContact CG1-CB 3.98Å; V269-F477 HydrophobicContact CG1-CD1 4.01Å; V269-F477 HydrophobicContact CG1-CG 4.5Å; V269-Q479 HydrophobicContact CG2-CB 4.44Å; V269-Q479 HydrophobicContact CG2-CG 4.19Å
270V94.4Very high94Very high1 Ų125.3 Ų25.31%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-124.5159.8-173.7-59.10000111.7G272 T276 L277 Q478 F483 Y484V270-G272 PolarHBondContact O-N 3.32Å; V270-T276 CarbonylContact C-O 3.54Å; V270-T276 VanDerWaalsContact CA-O 3.26Å; V270-T276 WeakPolarHBondContact CA-O 3.32Å; V270-T276 WeakPolarHBondContact CB-O 3.45Å; V270-L277 HydrophobicContact CG1-CD1 4.26Å; V270-Q478 WeakPolarHBondContact CG2-O 3.44Å; V270-Q478 PolarHBondContact N-O 3.48Å; V270-Q478 PolarHBondContact O-N 2.91Å; V270-F483 HydrophobicContact CG2-CB 4.24Å; V270-F483 HydrophobicContact CG2-CD1 3.62Å; V270-F483 HydrophobicContact CG2-CD2 3.67Å; V270-F483 HydrophobicContact CG2-CE1 3.69Å; V270-F483 HydrophobicContact CG2-CE2 3.75Å; V270-F483 HydrophobicContact CG2-CG 3.58Å; V270-F483 HydrophobicContact CG2-CZ 3.73Å; V270-Y484 HydrophobicContact CG1-CD2 4.21Å; V270-Y484 HydrophobicContact CG1-CE2 4.01Å
271N93.8Very high94.2Very high15 Ų1524.1 Ų24.18%0.0812%0.117CC..EExtended strand (participates in β ladder)trans-75.1118.9161.9178.2-52.5000108.4R273 E274 G275 T276 R278 T476N271-R273 PolarHBondContact O-N 3.4Å; N271-R273 WeakPolarHBondContact OD1-CA 3.34Å; N271-R273 WeakPolarHBondContact OD1-CB 3.35Å; N271-R273 PolarHBondContact OD1-N 2.83Å; N271-E274 HydrophobicContact CB-CB 4.32Å; N271-E274 PolarHBondContact OD1-N 2.96Å; N271-G275 VanDerWaalsContact O-CA 3.27Å; N271-G275 WeakPolarHBondContact O-CA 3.43Å; N271-G275 PolarHBondContact O-N 2.88Å; N271-T276 WeakPolarHBondContact CB-OG1 3.31Å; N271-T276 PolarHBondContact N-O 3.07Å; N271-R278 HydrophobicContact CB-CG 4.05Å; N271-R278 PolarHBondContact ND2-NH2 3.2Å; N271-T476 VanDerWaalsContact CA-O 3.26Å; N271-T476 WeakPolarHBondContact CA-O 3.38Å; N271-T476 HydrophobicContact CB-CG2 4.38Å; N271-T476 WeakPolarHBondContact ND2-CG2 3.33Å
272G89.3Confident94.3Very high7 Ų722.1 Ų22.17%0.07211%0.108CC..THydrogen-bonded Turntrans-63.1-26.6-17600000114.6V270 L467 N471 T476V270-G272 PolarHBondContact O-N 3.32Å; G272-L467 WeakPolarHBondContact O-CD1 3.29Å; G272-N471 VanDerWaalsContact C-OD1 3.3Å; G272-N471 PolarHBondContact O-ND2 3.5Å; G272-T476 PolarHBondContact N-O 2.84Å
273R89.1Confident94.3Very high172 Ų17223.6 Ų23.665%0.64912%0.115SC*.THydrogen-bonded Turntrans-85.7-44.7-178.8-168.6177.2-66.7-134.31.4112.2N271 N471N271-R273 PolarHBondContact O-N 3.4Å; N271-R273 WeakPolarHBondContact OD1-CA 3.34Å; N271-R273 WeakPolarHBondContact OD1-CB 3.35Å; N271-R273 PolarHBondContact OD1-N 2.83Å; R273-N471 PolarHBondContact N-OD1 2.95Å; R273-N471 PolarHBondContact NH2-O 2.95Å
274E88.5Confident94.3Very high110 Ų11022.9 Ų22.951%0.51411%0.112SC..THydrogen-bonded Turntrans-91.7-20.2-175.3-59.6176.2168.300113.4N271 T276 R278N271-E274 HydrophobicContact CB-CB 4.32Å; N271-E274 PolarHBondContact OD1-N 2.96Å; E274-T276 HydrophobicContact CB-CG2 3.72Å; E274-T276 PolarHBondContact O-N 2.95Å; E274-T276 PolarHBondContact OE2-OG1 3.17Å; E274-R278 IonicContact OE1-NH2 2.87Å; E274-R278 IonicContact OE2-CZ 2.81Å; E274-R278 IonicContact OE2-NH2 3.1Å; E274-R278 PolarHBondContact OE2-NH2 2.89Å
275G86.4Confident94.2Very high22 Ų2224.9 Ų24.923%0.22712%0.119CC..  trans64.220.6-170.900000113.6N271 K499N271-G275 VanDerWaalsContact O-CA 3.27Å; N271-G275 WeakPolarHBondContact O-CA 3.43Å; N271-G275 PolarHBondContact O-N 2.88Å; G275-K499 PolarHBondContact O-NZ 3.03Å
276T90.6Very high94.2Very high11 Ų1125 Ų257%0.06712%0.119CC..  trans-82.6142.2178.253.90000110V270 N271 E274 R278 V502V270-T276 CarbonylContact C-O 3.54Å; V270-T276 VanDerWaalsContact CA-O 3.26Å; V270-T276 WeakPolarHBondContact CA-O 3.32Å; V270-T276 WeakPolarHBondContact CB-O 3.45Å; N271-T276 WeakPolarHBondContact CB-OG1 3.31Å; N271-T276 PolarHBondContact N-O 3.07Å; E274-T276 HydrophobicContact CB-CG2 3.72Å; E274-T276 PolarHBondContact O-N 2.95Å; E274-T276 PolarHBondContact OE2-OG1 3.17Å; T276-R278 PolarHBondContact OG1-NE 3.07Å; T276-R278 VanDerWaalsContact OG1-NE 3.09Å; T276-R278 PolarHBondContact OG1-NH2 3.4Å; T276-V502 HydrophobicContact CG2-CB 4.32Å; T276-V502 HydrophobicContact CG2-CG2 3.58Å
277L92.4Very high93.9Very high7 Ų730.1 Ų30.14%0.03714%0.141CC..EExtended strand (participates in β ladder)trans-78.3125.4-177.4-173.971000110.1P268 V270 F335 I496P268-L277 HydrophobicContact CB-CD1 3.58Å; P268-L277 HydrophobicContact CG-CD1 4.42Å; V270-L277 HydrophobicContact CG1-CD1 4.26Å; L277-F335 HydrophobicContact CD2-CE2 3.73Å; L277-F335 HydrophobicContact CD2-CZ 4.24Å; L277-F335 HydrophobicContact CG-CE2 3.85Å; L277-I496 HydrophobicContact CD2-CG1 3.56Å
278R93.3Very high93.4Very high21 Ų2133.3 Ų33.38%0.07916%0.156CC..EExtended strand (participates in β ladder)trans-111.4-26.2-176.3-57.7-57.4-178153.95.4113.3V269 N271 E274 T276 H336 F477 K503 V504V269-R278 PolarHBondContact O-N 2.82Å; N271-R278 HydrophobicContact CB-CG 4.05Å; N271-R278 PolarHBondContact ND2-NH2 3.2Å; E274-R278 IonicContact OE1-NH2 2.87Å; E274-R278 IonicContact OE2-CZ 2.81Å; E274-R278 IonicContact OE2-NH2 3.1Å; E274-R278 PolarHBondContact OE2-NH2 2.89Å; T276-R278 PolarHBondContact OG1-NE 3.07Å; T276-R278 VanDerWaalsContact OG1-NE 3.09Å; T276-R278 PolarHBondContact OG1-NH2 3.4Å; R278-H336 PolarHBondContact O-N 3.06Å; R278-F477 HydrophobicContact CB-CD1 3.93Å; R278-F477 HydrophobicContact CB-CE1 3.77Å; R278-F477 HydrophobicContact CG-CD1 4.35Å; R278-F477 HydrophobicContact CG-CE1 4.21Å; R278-K503 PolarHBondContact NH1-O 2.82Å; R278-V504 HydrophobicContact CB-CG1 4.08Å; R278-V504 HydrophobicContact CB-CG2 4.26Å
279G95.5Very high92.6Very high0 Ų038.3 Ų38.30%019%0.188CC..EExtended strand (participates in β ladder)trans-177.7-166.3178.200000113.7V269 F335 H336V269-G279 PolarHBondContact N-O 2.89Å; V269-G279 PolarHBondContact O-N 3.36Å; V269-G279 VanDerWaalsContact O-N 3.11Å; G279-F335 VanDerWaalsContact CA-CE2 3.47Å; G279-H336 CarbonylContact C-O 3.54Å; G279-H336 WeakPolarHBondContact CA-O 3.29Å
280V97.3Very high91.8Very high2 Ų246.8 Ų46.81%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-139.7144.9170.5-69.40000110.3Y266 Q267 M324 F335 H336 G338 L492Y266-V280 HydrophobicContact CD1-CB 4.21Å; Y266-V280 HydrophobicContact CD1-CG2 3.84Å; Q267-V280 WeakPolarHBondContact O-CA 3.44Å; V280-M324 HydrophobicContact CG2-CE 4.43Å; V280-F335 HydrophobicContact CG1-CE1 4.32Å; V280-F335 HydrophobicContact CG1-CZ 3.89Å; V280-F335 HydrophobicContact CG2-CE1 3.89Å; V280-F335 HydrophobicContact CG2-CZ 4.3Å; V280-H336 PolarHBondContact N-O 3.42Å; V280-G338 PolarHBondContact O-N 2.94Å; V280-L492 HydrophobicContact CG1-CD1 3.57Å; V280-L492 HydrophobicContact CG1-CD2 4.03Å; V280-L492 HydrophobicContact CG1-CG 4.46Å
281E97.1Very high91Very high7 Ų748.8 Ų48.83%0.03325%0.247CC..EExtended strand (participates in β ladder)trans-91.2136.4158.1-176-176.8-177.400109.3Y266 Q267 L283 N340 K423 Q479Y266-E281 WeakPolarHBondContact CA-O 3.46Å; Q267-E281 PolarHBondContact N-O 2.81Å; Q267-E281 PolarHBondContact O-N 3.31Å; E281-L283 HydrophobicContact CG-CD2 4Å; E281-L283 HydrophobicContact CG-CG 4.32Å; E281-L283 WeakPolarHBondContact OE1-CD2 3.38Å; E281-N340 PolarHBondContact OE1-ND2 3.31Å; E281-K423 IonicContact OE1-NZ 3.91Å; E281-K423 PolarHBondContact OE1-NZ 3.33Å; E281-K423 IonicContact OE2-NZ 2.73Å; E281-Q479 PolarHBondContact OE2-NE2 3.01Å
282V97.6Very high90.8Very high3 Ų350.1 Ų50.12%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-92.4115.2177.6-177.30000109.9P264 Y266 L316 V320 I337 G338 I339P264-V282 HydrophobicContact CB-CG1 3.74Å; Y266-V282 HydrophobicContact CD1-CG2 4.04Å; Y266-V282 HydrophobicContact CE1-CG1 4.49Å; Y266-V282 HydrophobicContact CE1-CG2 3.85Å; V282-L316 HydrophobicContact CG1-CD1 4.39Å; V282-L316 HydrophobicContact CG1-CD2 3.77Å; V282-L316 HydrophobicContact CG1-CG 3.91Å; V282-V320 HydrophobicContact CB-CG2 4.29Å; V282-V320 HydrophobicContact CG1-CG2 3.54Å; V282-V320 HydrophobicContact CG2-CG1 4.17Å; V282-V320 HydrophobicContact CG2-CG2 3.77Å; V282-I337 HydrophobicContact CG2-CG2 4.07Å; V282-G338 WeakPolarHBondContact CB-O 3.43Å; V282-G338 VanDerWaalsContact CG2-O 3.29Å; V282-G338 WeakPolarHBondContact CG2-O 3.39Å; V282-G338 PolarHBondContact N-O 3.29Å; V282-I339 HydrophobicContact CB-CG1 4.13Å; V282-I339 HydrophobicContact CG2-CG1 3.97Å
283L95.9Very high91Very high31 Ų3154.8 Ų54.816%0.16228%0.281CS..EExtended strand (participates in β ladder)trans-112.5121.7-179.8-60.6175.1000110.5F265 Q267 E281 P486F265-L283 PolarHBondContact N-O 3.44Å; F265-L283 PolarHBondContact O-N 3.3Å; Q267-L283 HydrophobicContact CB-CD1 3.96Å; E281-L283 HydrophobicContact CG-CD2 4Å; E281-L283 HydrophobicContact CG-CG 4.32Å; E281-L283 WeakPolarHBondContact OE1-CD2 3.38Å; L283-P486 HydrophobicContact CD1-CB 3.97Å; L283-P486 HydrophobicContact CD1-CG 3.62Å
284A96.4Very high91.1Very high12 Ų1248.6 Ų48.610%0.09926%0.261CS..EExtended strand (participates in β ladder)trans-62.5141.3176.500000111.3I262 P296 F299 L312 L316I262-A284 HydrophobicContact CG2-CB 3.97Å; A284-P296 WeakPolarHBondContact O-CG 3.37Å; A284-F299 HydrophobicContact CB-CE2 4.27Å; A284-F299 HydrophobicContact CB-CZ 4.03Å; A284-L312 HydrophobicContact CB-CD2 4.44Å; A284-L316 HydrophobicContact CB-CD2 4.2Å
285R96.4Very high91.2Very high46 Ų4646.8 Ų46.817%0.17426%0.26CS..EExtended strand (participates in β ladder)trans-136.1132.1167.4-67.6-65.1-179-871.4109V263 F265 K287 Y293V263-R285 HydrophobicContact CG2-CB 4.36Å; V263-R285 WeakPolarHBondContact CG2-O 3.46Å; V263-R285 PolarHBondContact N-O 2.93Å; V263-R285 PolarHBondContact O-N 3.13Å; F265-R285 HydrophobicContact CB-CG 3.94Å; F265-R285 HydrophobicContact CD1-CG 4.01Å; F265-R285 HydrophobicContact CD2-CB 3.81Å; F265-R285 HydrophobicContact CD2-CG 3.46Å; F265-R285 VanDerWaalsContact CD2-CG 3.46Å; F265-R285 HydrophobicContact CE1-CG 4.39Å; F265-R285 HydrophobicContact CE2-CB 4.01Å; F265-R285 HydrophobicContact CE2-CG 3.9Å; F265-R285 HydrophobicContact CG-CB 4.39Å; F265-R285 HydrophobicContact CG-CG 3.52Å; F265-R285 HydrophobicContact CZ-CG 4.34Å; R285-K287 PolarHBondContact O-N 3.49Å; R285-Y293 HydrophobicContact CB-CD1 3.7Å; R285-Y293 HydrophobicContact CB-CE1 4.27Å; R285-Y293 HydrophobicContact CB-CG 4.32Å
286W96.1Very high91.4Very high26 Ų2647.1 Ų47.110%0.09826%0.258CS..EExtended strand (participates in β ladder)trans-91.7105.5176.6-178.70.2000110I252 L253 A256 E261 I262 Y293 I294 F299I252-W286 HydrophobicContact CG2-CH2 3.85Å; I252-W286 HydrophobicContact CG2-CZ2 3.86Å; L253-W286 HydrophobicContact CB-CH2 4.31Å; L253-W286 HydrophobicContact CD1-CE3 4.19Å; L253-W286 HydrophobicContact CD1-CH2 4.23Å; L253-W286 HydrophobicContact CD1-CZ3 3.9Å; A256-W286 HydrophobicContact CB-CD2 4.41Å; A256-W286 VanDerWaalsContact CB-CE2 3.45Å; A256-W286 HydrophobicContact CB-CH2 4.41Å; A256-W286 HydrophobicContact CB-CZ2 3.46Å; A256-W286 VanDerWaalsContact CB-CZ2 3.46Å; A256-W286 VanDerWaalsContact CB-NE1 3.35Å; E261-W286 PolarHBondContact OE2-NE1 3.33Å; I262-W286 HydrophobicContact CD1-CB 3.48Å; I262-W286 VanDerWaalsContact CD1-CB 3.48Å; I262-W286 HydrophobicContact CD1-CD2 3.83Å; I262-W286 HydrophobicContact CD1-CE3 4.33Å; I262-W286 HydrophobicContact CD1-CG 3.45Å; I262-W286 VanDerWaalsContact CD1-CG 3.45Å; W286-Y293 CarbonylContact O-C 3.53Å; W286-Y293 VanDerWaalsContact O-CA 3.24Å; W286-Y293 WeakPolarHBondContact O-CA 3.4Å; W286-I294 HydrophobicContact CB-CB 4.07Å; W286-I294 HydrophobicContact CD2-CB 4.49Å; W286-I294 HydrophobicContact CD2-CD1 3.78Å; W286-I294 HydrophobicContact CE3-CB 4.39Å; W286-I294 HydrophobicContact CE3-CD1 3.82Å; W286-I294 HydrophobicContact CE3-CG2 4.47Å; W286-I294 HydrophobicContact CG-CB 4.39Å; W286-I294 HydrophobicContact CG-CD1 4.22Å; W286-I294 HydrophobicContact CZ3-CD1 4.23Å; W286-I294 PolarHBondContact O-N 3.03Å; W286-F299 HydrophobicContact CB-CD1 3.91Å; W286-F299 HydrophobicContact CB-CE1 3.65Å; W286-F299 HydrophobicContact CB-CZ 4.2Å; W286-F299 HydrophobicContact CE3-CB 3.65Å; W286-F299 AromaticContact CE3-CD1 3.89Å; W286-F299 HydrophobicContact CE3-CD1 3.89Å; W286-F299 AromaticContact CE3-CG 3.83Å; W286-F299 HydrophobicContact CE3-CG 3.83Å; W286-F299 HydrophobicContact CZ3-CB 3.81Å; W286-F299 HydrophobicContact CZ3-CG 4.47Å
287K93.1Very high91.4Very high107 Ų10750 Ų5047%0.46528%0.283SS..EExtended strand (participates in β ladder)trans-75.9123.2178-171.9178.5-179.5-178.60110.7E261 V263 R285 Y293E261-K287 WeakPolarHBondContact O-CB 3.31Å; E261-K287 PolarHBondContact O-N 3.44Å; V263-K287 HydrophobicContact CG2-CB 4.3Å; R285-K287 PolarHBondContact O-N 3.49Å; K287-Y293 HydrophobicContact CB-CD1 4.04Å; K287-Y293 HydrophobicContact CB-CE1 3.82Å; K287-Y293 HydrophobicContact CD-CE1 4.44Å; K287-Y293 HydrophobicContact CG-CD1 4.46Å; K287-Y293 HydrophobicContact CG-CE1 3.98Å
288Q86.3Confident91.3Very high86 Ų8653 Ų5340%0.40231%0.309SS..  trans-82.9149.2177.2-63.4-175.4-62.300111.8H290 G291 G292 I294Q288-H290 PolarHBondContact O-N 2.87Å; Q288-G291 PolarHBondContact O-N 3.5Å; Q288-G292 PolarHBondContact N-O 3.12Å; Q288-I294 HydrophobicContact CG-CD1 3.9Å; Q288-I294 HydrophobicContact CG-CG1 3.64Å
289P78.6Confident91.3Very high104 Ų10452 Ų5268%0.67531%0.305SS*.THydrogen-bonded Turntrans-57.5-32.7178.5-27.134.5000114.6G291P289-G291 VanDerWaalsContact C-N 3.31Å
290H78.8Confident91.2Very high192 Ų19253 Ų5389%0.88931%0.31SS*.THydrogen-bonded Turntrans-89.97.1-178.6-54.9-51.6000113.5Q288Q288-H290 PolarHBondContact O-N 2.87Å
291G79.2Confident90.9Very high43 Ų4356 Ų5644%0.44333%0.33SS..SBendtrans94.4159.4-17300000112.6Q288 P289Q288-G291 PolarHBondContact O-N 3.5Å; P289-G291 VanDerWaalsContact C-N 3.31Å
292G89.7Confident90.7Very high43 Ų4357.9 Ų57.944%0.44334%0.34SS..  trans90.1172.9-17400000113.9Q288Q288-G292 PolarHBondContact N-O 3.12Å
293Y92.5Very high90.5Very high105 Ų10557.8 Ų57.841%0.41234%0.339SS..EExtended strand (participates in β ladder)trans-129.9134.7-179.9-62-81.4000110.5V263 F265 R285 W286 K287V263-Y293 HydrophobicContact CG2-CE1 4.02Å; F265-Y293 HydrophobicContact CE2-CD1 4.25Å; F265-Y293 AromaticContact CE2-CE1 3.6Å; F265-Y293 HydrophobicContact CE2-CE1 3.6Å; F265-Y293 HydrophobicContact CE2-CE2 4.22Å; F265-Y293 AromaticContact CE2-CZ 3.58Å; F265-Y293 HydrophobicContact CZ-CD1 4.42Å; F265-Y293 HydrophobicContact CZ-CD2 4.18Å; F265-Y293 AromaticContact CZ-CE1 3.87Å; F265-Y293 HydrophobicContact CZ-CE1 3.87Å; F265-Y293 AromaticContact CZ-CE2 3.61Å; F265-Y293 HydrophobicContact CZ-CE2 3.61Å; F265-Y293 AromaticContact CZ-CZ 3.43Å; F265-Y293 VanDerWaalsContact CZ-CZ 3.43Å; R285-Y293 HydrophobicContact CB-CD1 3.7Å; R285-Y293 HydrophobicContact CB-CE1 4.27Å; R285-Y293 HydrophobicContact CB-CG 4.32Å; W286-Y293 CarbonylContact O-C 3.53Å; W286-Y293 VanDerWaalsContact O-CA 3.24Å; W286-Y293 WeakPolarHBondContact O-CA 3.4Å; K287-Y293 HydrophobicContact CB-CD1 4.04Å; K287-Y293 HydrophobicContact CB-CE1 3.82Å; K287-Y293 HydrophobicContact CD-CE1 4.44Å; K287-Y293 HydrophobicContact CG-CD1 4.46Å; K287-Y293 HydrophobicContact CG-CE1 3.98Å
294I92.1Very high90.2Very high43 Ų4357.5 Ų57.522%0.22134%0.337CS..EExtended strand (participates in β ladder)trans-81.3135.3167.7-53.5176.3000107.9W286 Q288 A298 F299W286-I294 HydrophobicContact CB-CB 4.07Å; W286-I294 HydrophobicContact CD2-CB 4.49Å; W286-I294 HydrophobicContact CD2-CD1 3.78Å; W286-I294 HydrophobicContact CE3-CB 4.39Å; W286-I294 HydrophobicContact CE3-CD1 3.82Å; W286-I294 HydrophobicContact CE3-CG2 4.47Å; W286-I294 HydrophobicContact CG-CB 4.39Å; W286-I294 HydrophobicContact CG-CD1 4.22Å; W286-I294 HydrophobicContact CZ3-CD1 4.23Å; W286-I294 PolarHBondContact O-N 3.03Å; Q288-I294 HydrophobicContact CG-CD1 3.9Å; Q288-I294 HydrophobicContact CG-CG1 3.64Å; I294-A298 HydrophobicContact CG2-CB 3.79Å; I294-F299 HydrophobicContact CG2-CD1 4.29Å
295S89.2Confident89.8Confident71 Ų7166 Ų6650%0.49737%0.371SS..  trans-63.2140.7178.7178.60000111.7A297 A298 F299S295-A297 PolarHBondContact O-N 2.96Å; S295-A297 PolarHBondContact OG-N 2.94Å; S295-A298 WeakPolarHBondContact O-CB 3.5Å; S295-A298 PolarHBondContact O-N 3.44Å; S295-F299 WeakPolarHBondContact O-CD1 3.4Å
296P91.8Very high89.6Confident30 Ų3065.1 Ų65.120%0.19537%0.373CS..Hα-helixtrans-50.9-37.8172-28.837.6000113.8A284 A298 F299 I300A284-P296 WeakPolarHBondContact O-CG 3.37Å; P296-A298 PolarHBondContact O-N 2.83Å; P296-F299 HydrophobicContact CB-CE1 4.35Å; P296-F299 HydrophobicContact CB-CZ 4.31Å; P296-F299 HydrophobicContact CG-CE1 4.39Å; P296-F299 HydrophobicContact CG-CZ 4.41Å; P296-F299 PolarHBondContact O-N 3.33Å; P296-F299 VanDerWaalsContact O-N 3.09Å; P296-I300 HydrophobicContact CB-CG1 3.91Å; P296-I300 WeakPolarHBondContact O-CB 3.43Å; P296-I300 WeakPolarHBondContact O-CG1 3.49Å; P296-I300 PolarHBondContact O-N 2.88Å
297A89.3Confident89.3Confident72 Ų7265.9 Ų65.960%0.59539%0.389SS*.Hα-helixtrans-58.4-21.8178.200000113.2S295S295-A297 PolarHBondContact O-N 2.96Å; S295-A297 PolarHBondContact OG-N 2.94Å
298A90.8Very high89.4Confident69 Ų6961 Ų6157%0.5737%0.367SS*.Hα-helixtrans-90-20.9179.500000114.2I294 S295 P296I294-A298 HydrophobicContact CG2-CB 3.79Å; S295-A298 WeakPolarHBondContact O-CB 3.5Å; S295-A298 PolarHBondContact O-N 3.44Å; P296-A298 PolarHBondContact O-N 2.83Å
299F94.3Very high89.7Confident1 Ų157.2 Ų57.20%0.00435%0.35CS..Hα-helixtrans-124.8-23.4-174.870.4-98.8000115.1L253 I262 A284 W286 I294 S295 P296 L302 A303 L312L253-F299 HydrophobicContact CD1-CB 4.31Å; L253-F299 HydrophobicContact CD1-CD2 4.34Å; I262-F299 HydrophobicContact CD1-CD2 4.49Å; I262-F299 HydrophobicContact CD1-CE2 4.28Å; I262-F299 HydrophobicContact CG2-CE2 4.41Å; A284-F299 HydrophobicContact CB-CE2 4.27Å; A284-F299 HydrophobicContact CB-CZ 4.03Å; W286-F299 HydrophobicContact CB-CD1 3.91Å; W286-F299 HydrophobicContact CB-CE1 3.65Å; W286-F299 HydrophobicContact CB-CZ 4.2Å; W286-F299 HydrophobicContact CE3-CB 3.65Å; W286-F299 AromaticContact CE3-CD1 3.89Å; W286-F299 HydrophobicContact CE3-CD1 3.89Å; W286-F299 AromaticContact CE3-CG 3.83Å; W286-F299 HydrophobicContact CE3-CG 3.83Å; W286-F299 HydrophobicContact CZ3-CB 3.81Å; W286-F299 HydrophobicContact CZ3-CG 4.47Å; I294-F299 HydrophobicContact CG2-CD1 4.29Å; S295-F299 WeakPolarHBondContact O-CD1 3.4Å; P296-F299 HydrophobicContact CB-CE1 4.35Å; P296-F299 HydrophobicContact CB-CZ 4.31Å; P296-F299 HydrophobicContact CG-CE1 4.39Å; P296-F299 HydrophobicContact CG-CZ 4.41Å; P296-F299 PolarHBondContact O-N 3.33Å; P296-F299 VanDerWaalsContact O-N 3.09Å; F299-L302 PolarHBondContact O-N 3.39Å; F299-A303 WeakPolarHBondContact O-CB 3.24Å; F299-A303 PolarHBondContact O-N 3.37Å; F299-L312 HydrophobicContact CD2-CD1 3.99Å; F299-L312 HydrophobicContact CE2-CD1 3.86Å
300I92.7Very high90.4Very high20 Ų2053.5 Ų53.510%0.10333%0.325CS..Hα-helixtrans-64.1-46.8177.5-64.4-65.9000111.7P296 L302 A303 E304 I309 L312P296-I300 HydrophobicContact CB-CG1 3.91Å; P296-I300 WeakPolarHBondContact O-CB 3.43Å; P296-I300 WeakPolarHBondContact O-CG1 3.49Å; P296-I300 PolarHBondContact O-N 2.88Å; I300-L302 PolarHBondContact O-N 2.96Å; I300-A303 WeakPolarHBondContact O-CA 3.4Å; I300-A303 WeakPolarHBondContact O-CB 3.47Å; I300-A303 PolarHBondContact O-N 3.42Å; I300-E304 HydrophobicContact CG2-CG 4.32Å; I300-E304 WeakPolarHBondContact CG2-OE1 3.36Å; I300-E304 WeakPolarHBondContact O-CG 3.49Å; I300-E304 PolarHBondContact O-N 3.02Å; I300-I309 HydrophobicContact CD1-CD1 4.09Å; I300-I309 HydrophobicContact CG2-CD1 4.38Å; I300-L312 HydrophobicContact CD1-CD1 4.36Å; I300-L312 HydrophobicContact CD1-CD2 4.41Å
301P91.3Very high91.2Very high65 Ų6546.3 Ų46.342%0.42230%0.295SS..Hα-helixtrans-60.1-32.8176.1-25.135.3000113.5E304 K305P301-E304 WeakPolarHBondContact CA-OE2 3.43Å; P301-K305 WeakPolarHBondContact O-CB 3.22Å; P301-K305 PolarHBondContact O-N 2.99Å; P301-K305 VanDerWaalsContact O-N 3.1Å
302L92.3Very high92Very high47 Ų4744.4 Ų44.425%0.24628%0.275CS..Hα-helixtrans-70.4-40.6173.7177.664.2000111.1P249 E250 L253 F299 I300 S306P249-L302 HydrophobicContact CB-CD1 4.36Å; P249-L302 HydrophobicContact CB-CD2 3.56Å; E250-L302 HydrophobicContact CG-CD1 3.89Å; L253-L302 HydrophobicContact CB-CD2 4.42Å; L253-L302 HydrophobicContact CD2-CB 4.43Å; L253-L302 HydrophobicContact CD2-CD2 4.13Å; L253-L302 HydrophobicContact CD2-CG 4.08Å; F299-L302 PolarHBondContact O-N 3.39Å; I300-L302 PolarHBondContact O-N 2.96Å; L302-S306 VanDerWaalsContact O-CB 3.29Å; L302-S306 WeakPolarHBondContact O-CB 3.24Å; L302-S306 PolarHBondContact O-N 3.42Å; L302-S306 PolarHBondContact O-OG 2.98Å
303A93.6Very high92.3Very high0 Ų042.6 Ų42.60%026%0.255CS..Hα-helixtrans-62.1-45.5177.600000111.3L253 F299 I300 S306 G307 L308 I309 L312L253-A303 HydrophobicContact CD2-CB 3.85Å; F299-A303 WeakPolarHBondContact O-CB 3.24Å; F299-A303 PolarHBondContact O-N 3.37Å; I300-A303 WeakPolarHBondContact O-CA 3.4Å; I300-A303 WeakPolarHBondContact O-CB 3.47Å; I300-A303 PolarHBondContact O-N 3.42Å; A303-S306 PolarHBondContact O-OG 3.43Å; A303-G307 CarbonylContact O-C 3.29Å; A303-G307 PolarHBondContact O-N 3.3Å; A303-G307 VanDerWaalsContact O-N 3.08Å; A303-L308 HydrophobicContact CB-CB 4.41Å; A303-L308 CarbonylContact O-C 3.5Å; A303-L308 PolarHBondContact O-N 3.02Å; A303-I309 HydrophobicContact CB-CB 4.1Å; A303-I309 HydrophobicContact CB-CD1 4.15Å; A303-I309 PolarHBondContact O-N 2.99Å; A303-L312 HydrophobicContact CB-CD1 4.17Å
304E90.2Very high92.5Very high26 Ų2640.7 Ų40.712%0.12125%0.25CS..Hα-helixtrans-59.9-56.9176.4-72.3165.1167.600110.6I300 P301 S306 G307 I309I300-E304 HydrophobicContact CG2-CG 4.32Å; I300-E304 WeakPolarHBondContact CG2-OE1 3.36Å; I300-E304 WeakPolarHBondContact O-CG 3.49Å; I300-E304 PolarHBondContact O-N 3.02Å; P301-E304 WeakPolarHBondContact CA-OE2 3.43Å; E304-S306 PolarHBondContact O-N 3.26Å; E304-S306 VanDerWaalsContact O-N 3.14Å; E304-G307 PolarHBondContact O-N 3.37Å; E304-I309 HydrophobicContact CG-CB 4.24Å; E304-I309 HydrophobicContact CG-CD1 4.45Å; E304-I309 HydrophobicContact CG-CG1 4.16Å
305K88.6Confident92.7Very high189 Ų18939.8 Ų39.882%0.82225%0.248SC*.Hα-helixtrans-60.6-29.6-178.1-172.8176.4179.3-1800114.1P301P301-K305 WeakPolarHBondContact O-CB 3.22Å; P301-K305 PolarHBondContact O-N 2.99Å; P301-K305 VanDerWaalsContact O-N 3.1Å
306S90.8Very high93.1Very high29 Ų2936.9 Ų36.920%0.20323%0.227CC..THydrogen-bonded Turntrans-96.50.6-179.763.10000114L302 A303 E304 L308L302-S306 VanDerWaalsContact O-CB 3.29Å; L302-S306 WeakPolarHBondContact O-CB 3.24Å; L302-S306 PolarHBondContact O-N 3.42Å; L302-S306 PolarHBondContact O-OG 2.98Å; A303-S306 PolarHBondContact O-OG 3.43Å; E304-S306 PolarHBondContact O-N 3.26Å; E304-S306 VanDerWaalsContact O-N 3.14Å; S306-L308 PolarHBondContact O-N 3.34Å; S306-L308 WeakPolarHBondContact OG-CB 3.02Å; S306-L308 WeakPolarHBondContact OG-CD1 3.48Å; S306-L308 WeakPolarHBondContact OG-CG 3.35Å
307G90.4Very high93.4Very high42 Ų4235.7 Ų35.743%0.43322%0.219SC..THydrogen-bonded Turntrans67.96.5-173.400000114.3A303 E304 I309 P311A303-G307 CarbonylContact O-C 3.29Å; A303-G307 PolarHBondContact O-N 3.3Å; A303-G307 VanDerWaalsContact O-N 3.08Å; E304-G307 PolarHBondContact O-N 3.37Å; G307-I309 PolarHBondContact O-N 2.92Å; G307-P311 WeakPolarHBondContact O-CD 3.35Å
308L94.4Very high93.7Very high3 Ų337.1 Ų37.12%0.01622%0.216CC..THydrogen-bonded Turntrans-74.1-8.2175-71.1176.1000113.1E250 L253 R254 I257 A303 S306 V310 P311 L312E250-L308 HydrophobicContact CB-CD1 4.48Å; E250-L308 VanDerWaalsContact O-CD1 3.31Å; E250-L308 WeakPolarHBondContact O-CD1 2.97Å; L253-L308 HydrophobicContact CB-CD1 4.14Å; L253-L308 HydrophobicContact CD2-CB 4.35Å; L253-L308 HydrophobicContact CD2-CD1 4.03Å; L253-L308 HydrophobicContact CG-CD1 4.05Å; R254-L308 HydrophobicContact CB-CD1 4.05Å; R254-L308 HydrophobicContact CB-CD2 4.03Å; R254-L308 HydrophobicContact CG-CD2 4.07Å; I257-L308 HydrophobicContact CD1-CB 4.04Å; I257-L308 HydrophobicContact CD1-CD2 4.45Å; A303-L308 HydrophobicContact CB-CB 4.41Å; A303-L308 CarbonylContact O-C 3.5Å; A303-L308 PolarHBondContact O-N 3.02Å; S306-L308 PolarHBondContact O-N 3.34Å; S306-L308 WeakPolarHBondContact OG-CB 3.02Å; S306-L308 WeakPolarHBondContact OG-CD1 3.48Å; S306-L308 WeakPolarHBondContact OG-CG 3.35Å; L308-V310 VanDerWaalsContact C-N 3.28Å; L308-V310 PolarHBondContact O-N 3.29Å; L308-P311 HydrophobicContact CD2-CG 4.07Å; L308-P311 VanDerWaalsContact O-CD 3.29Å; L308-P311 WeakPolarHBondContact O-CD 3.4Å; L308-P311 VanDerWaalsContact O-CG 3.32Å; L308-P311 WeakPolarHBondContact O-CG 3.4Å; L308-L312 WeakPolarHBondContact O-CB 3.13Å; L308-L312 PolarHBondContact O-N 3.5Å
309I93.5Very high94.1Very high8 Ų834.5 Ų34.54%0.04119%0.192CC..Hα-helixtrans-60.7-38.1175.3-167.460.6000111.8I300 A303 E304 G307 L312 T313 S342I300-I309 HydrophobicContact CD1-CD1 4.09Å; I300-I309 HydrophobicContact CG2-CD1 4.38Å; A303-I309 HydrophobicContact CB-CB 4.1Å; A303-I309 HydrophobicContact CB-CD1 4.15Å; A303-I309 PolarHBondContact O-N 2.99Å; E304-I309 HydrophobicContact CG-CB 4.24Å; E304-I309 HydrophobicContact CG-CD1 4.45Å; E304-I309 HydrophobicContact CG-CG1 4.16Å; G307-I309 PolarHBondContact O-N 2.92Å; I309-L312 WeakPolarHBondContact O-CB 3.15Å; I309-L312 PolarHBondContact O-N 3.47Å; I309-T313 WeakPolarHBondContact O-CB 3.27Å; I309-T313 PolarHBondContact O-N 3.42Å; I309-T313 PolarHBondContact O-OG1 2.91Å; I309-S342 WeakPolarHBondContact CG1-OG 3.42Å; I309-S342 WeakPolarHBondContact CG2-OG 3.35Å
310V93.8Very high94.2Very high26 Ų2634.4 Ų34.416%0.15819%0.192CC..Hα-helixtrans-61-59.3177.4178.40000111.9L308 L312 T313 Q314 H345L308-V310 VanDerWaalsContact C-N 3.28Å; L308-V310 PolarHBondContact O-N 3.29Å; V310-L312 PolarHBondContact O-N 3.37Å; V310-T313 PolarHBondContact O-N 2.88Å; V310-Q314 VanDerWaalsContact O-CG 3.29Å; V310-Q314 WeakPolarHBondContact O-CG 3.41Å; V310-Q314 PolarHBondContact O-N 3.49Å; V310-H345 HydrophobicContact CG2-CB 4.06Å
311P95.2Very high94.5Very high40 Ų4033.7 Ų33.726%0.2619%0.189SC..Hα-helixtrans-64.7-27.1177.924.9-34.4000113.1I257 G307 L308 S315I257-P311 HydrophobicContact CG2-CB 4.42Å; G307-P311 WeakPolarHBondContact O-CD 3.35Å; L308-P311 HydrophobicContact CD2-CG 4.07Å; L308-P311 VanDerWaalsContact O-CD 3.29Å; L308-P311 WeakPolarHBondContact O-CD 3.4Å; L308-P311 VanDerWaalsContact O-CG 3.32Å; L308-P311 WeakPolarHBondContact O-CG 3.4Å; P311-S315 VanDerWaalsContact O-CB 3.32Å; P311-S315 WeakPolarHBondContact O-CB 3.48Å; P311-S315 PolarHBondContact O-N 3.49Å
312L96.5Very high94.8Very high3 Ų338.6 Ų38.62%0.01620%0.199CC..Hα-helixtrans-63.6-52.5173.5-173.7154.7000110.8I257 I262 A284 F299 I300 A303 L308 I309 V310 S315 L316I257-L312 HydrophobicContact CD1-CB 3.81Å; I257-L312 HydrophobicContact CD1-CD1 4.29Å; I257-L312 HydrophobicContact CD1-CG 4.39Å; I257-L312 HydrophobicContact CG1-CB 4.09Å; I257-L312 HydrophobicContact CG1-CD1 4.34Å; I257-L312 HydrophobicContact CG1-CG 4.28Å; I262-L312 HydrophobicContact CG1-CD1 4.24Å; I262-L312 HydrophobicContact CG1-CG 4.38Å; I262-L312 HydrophobicContact CG2-CD1 4.21Å; I262-L312 HydrophobicContact CG2-CD2 4.06Å; I262-L312 HydrophobicContact CG2-CG 3.98Å; A284-L312 HydrophobicContact CB-CD2 4.44Å; F299-L312 HydrophobicContact CD2-CD1 3.99Å; F299-L312 HydrophobicContact CE2-CD1 3.86Å; I300-L312 HydrophobicContact CD1-CD1 4.36Å; I300-L312 HydrophobicContact CD1-CD2 4.41Å; A303-L312 HydrophobicContact CB-CD1 4.17Å; L308-L312 WeakPolarHBondContact O-CB 3.13Å; L308-L312 PolarHBondContact O-N 3.5Å; I309-L312 WeakPolarHBondContact O-CB 3.15Å; I309-L312 PolarHBondContact O-N 3.47Å; V310-L312 PolarHBondContact O-N 3.37Å; L312-S315 WeakPolarHBondContact O-CB 3.37Å; L312-S315 PolarHBondContact O-N 2.95Å; L312-L316 PolarHBondContact O-N 3.25Å
313T95.9Very high95Very high5 Ų538.4 Ų38.43%0.03120%0.197CC..Hα-helixtrans-65.1-41.5-179.7-57.10000111.1I309 V310 S315 L316 M317 I339 F341 H345I309-T313 WeakPolarHBondContact O-CB 3.27Å; I309-T313 PolarHBondContact O-N 3.42Å; I309-T313 PolarHBondContact O-OG1 2.91Å; V310-T313 PolarHBondContact O-N 2.88Å; T313-S315 VanDerWaalsContact C-N 3.34Å; T313-S315 PolarHBondContact O-N 3.48Å; T313-L316 CarbonylContact O-C 3.54Å; T313-L316 WeakPolarHBondContact O-CA 3.38Å; T313-L316 WeakPolarHBondContact O-CB 3.46Å; T313-L316 PolarHBondContact O-N 2.91Å; T313-L316 VanDerWaalsContact O-N 3.08Å; T313-M317 HydrophobicContact CG2-CG 4.32Å; T313-M317 HydrophobicContact CG2-SD 4.04Å; T313-M317 VanDerWaalsContact O-CG 3.23Å; T313-M317 WeakPolarHBondContact O-CG 3.35Å; T313-M317 PolarHBondContact O-N 2.91Å; T313-I339 HydrophobicContact CG2-CG2 4.14Å; T313-F341 HydrophobicContact CG2-CD1 3.83Å; T313-F341 HydrophobicContact CG2-CE1 3.54Å; T313-F341 HydrophobicContact CG2-CZ 4.2Å; T313-H345 WeakPolarHBondContact CB-ND1 3.48Å
314Q95.8Very high95.2Very high65 Ų6538.4 Ų38.430%0.30420%0.197SC..Hα-helixtrans-57.4-44.4172.6-70.7170.9-9.300112.5V310 L316 M317 N318 E354V310-Q314 VanDerWaalsContact O-CG 3.29Å; V310-Q314 WeakPolarHBondContact O-CG 3.41Å; V310-Q314 PolarHBondContact O-N 3.49Å; Q314-L316 VanDerWaalsContact C-N 3.3Å; Q314-L316 PolarHBondContact O-N 3.3Å; Q314-M317 PolarHBondContact O-N 3.29Å; Q314-N318 PolarHBondContact O-N 2.71Å; Q314-N318 VanDerWaalsContact O-N 3.09Å; Q314-N318 PolarHBondContact O-ND2 3.42Å; Q314-N318 VanDerWaalsContact O-ND2 3.11Å; Q314-E354 WeakPolarHBondContact CG-OE2 3.45Å; Q314-E354 PolarHBondContact NE2-OE1 3.39Å; Q314-E354 PolarHBondContact NE2-OE2 3.3Å; Q314-E354 VanDerWaalsContact NE2-OE2 3.15Å
315S96.6Very high95.5Very high25 Ų2539.3 Ų39.318%0.17520%0.202CC..Hα-helixtrans-62.5-39.4175.5-177.10000111.5P311 L312 T313 Q319P311-S315 VanDerWaalsContact O-CB 3.32Å; P311-S315 WeakPolarHBondContact O-CB 3.48Å; P311-S315 PolarHBondContact O-N 3.49Å; L312-S315 WeakPolarHBondContact O-CB 3.37Å; L312-S315 PolarHBondContact O-N 2.95Å; T313-S315 VanDerWaalsContact C-N 3.34Å; T313-S315 PolarHBondContact O-N 3.48Å; S315-Q319 WeakPolarHBondContact O-CG 3.36Å; S315-Q319 PolarHBondContact O-N 2.92Å; S315-Q319 VanDerWaalsContact O-N 3.13Å; S315-Q319 PolarHBondContact O-NE2 2.98Å; S315-Q319 PolarHBondContact OG-NE2 2.85Å
316L96.8Very high95.9Very high9 Ų933.8 Ų33.85%0.04719%0.192CC..Hα-helixtrans-66.8-47.4177.8-160.667.3000111.6P264 V282 A284 L312 T313 Q314 N318 Q319 V320P264-L316 HydrophobicContact CB-CD1 3.7Å; P264-L316 HydrophobicContact CB-CG 4.43Å; P264-L316 HydrophobicContact CG-CD1 4.29Å; V282-L316 HydrophobicContact CG1-CD1 4.39Å; V282-L316 HydrophobicContact CG1-CD2 3.77Å; V282-L316 HydrophobicContact CG1-CG 3.91Å; A284-L316 HydrophobicContact CB-CD2 4.2Å; L312-L316 PolarHBondContact O-N 3.25Å; T313-L316 CarbonylContact O-C 3.54Å; T313-L316 WeakPolarHBondContact O-CA 3.38Å; T313-L316 WeakPolarHBondContact O-CB 3.46Å; T313-L316 PolarHBondContact O-N 2.91Å; T313-L316 VanDerWaalsContact O-N 3.08Å; Q314-L316 VanDerWaalsContact C-N 3.3Å; Q314-L316 PolarHBondContact O-N 3.3Å; L316-N318 VanDerWaalsContact C-N 3.33Å; L316-N318 PolarHBondContact O-N 3.02Å; L316-Q319 WeakPolarHBondContact O-CB 3.38Å; L316-Q319 PolarHBondContact O-N 3.39Å; L316-V320 VanDerWaalsContact O-CG2 3.29Å; L316-V320 WeakPolarHBondContact O-CG2 3.36Å; L316-V320 PolarHBondContact O-N 3.46Å
317M97.6Very high96.1Very high6 Ų633 Ų333%0.0319%0.185CC..Hα-helixtrans-54-48175.2-69.7165.783.700111.1T313 Q314 Q319 V320 A321 I339 F341 F358T313-M317 HydrophobicContact CG2-CG 4.32Å; T313-M317 HydrophobicContact CG2-SD 4.04Å; T313-M317 VanDerWaalsContact O-CG 3.23Å; T313-M317 WeakPolarHBondContact O-CG 3.35Å; T313-M317 PolarHBondContact O-N 2.91Å; Q314-M317 PolarHBondContact O-N 3.29Å; M317-Q319 VanDerWaalsContact C-N 3.3Å; M317-Q319 PolarHBondContact O-N 3.43Å; M317-V320 PolarHBondContact O-N 3.43Å; M317-A321 WeakPolarHBondContact O-CB 3.5Å; M317-A321 PolarHBondContact O-N 2.92Å; M317-I339 HydrophobicContact CG-CD1 3.85Å; M317-F341 HydrophobicContact CE-CE1 4.36Å; M317-F341 HydrophobicContact CE-CZ 4.06Å; M317-F341 HydrophobicContact SD-CE1 3.94Å; M317-F341 HydrophobicContact SD-CZ 4Å; M317-F358 HydrophobicContact CB-CD2 3.69Å; M317-F358 HydrophobicContact CB-CE2 3.94Å; M317-F358 HydrophobicContact CB-CG 4.24Å; M317-F358 HydrophobicContact CE-CB 3.39Å; M317-F358 HydrophobicContact CE-CD1 3.85Å; M317-F358 HydrophobicContact CE-CD2 4.29Å; M317-F358 HydrophobicContact CE-CG 3.6Å; M317-F358 HydrophobicContact CG-CD2 4.31Å; M317-F358 HydrophobicContact CG-CE2 4.45Å; M317-F358 HydrophobicContact CG-CG 4.46Å; M317-F358 VanDerWaalsContact O-CE2 3.24Å; M317-F358 WeakPolarHBondContact O-CE2 3.43Å
318N97.1Very high96.2Very high101 Ų10131.5 Ų31.554%0.5417%0.169SC..Hα-helixtrans-62.3-34.6176.8-75.8-39000113.3Q314 L316 R322Q314-N318 PolarHBondContact O-N 2.71Å; Q314-N318 VanDerWaalsContact O-N 3.09Å; Q314-N318 PolarHBondContact O-ND2 3.42Å; Q314-N318 VanDerWaalsContact O-ND2 3.11Å; L316-N318 VanDerWaalsContact C-N 3.33Å; L316-N318 PolarHBondContact O-N 3.02Å; N318-R322 WeakPolarHBondContact O-CG 3.36Å; N318-R322 PolarHBondContact O-N 3.29Å; N318-R322 PolarHBondContact O-NE 3.45Å; N318-R322 VanDerWaalsContact O-NE 3.16Å
319Q97.8Very high96.1Very high14 Ų1435.6 Ų35.67%0.06520%0.198CC..Hα-helixtrans-71.1-44.4174.8-72.7175.276.400111.8I262 P264 S315 L316 M317 R322 Q323I262-Q319 PolarHBondContact O-NE2 3.32Å; P264-Q319 VanDerWaalsContact CD-OE1 3.3Å; P264-Q319 HydrophobicContact CG-CB 4.01Å; S315-Q319 WeakPolarHBondContact O-CG 3.36Å; S315-Q319 PolarHBondContact O-N 2.92Å; S315-Q319 VanDerWaalsContact O-N 3.13Å; S315-Q319 PolarHBondContact O-NE2 2.98Å; S315-Q319 PolarHBondContact OG-NE2 2.85Å; L316-Q319 WeakPolarHBondContact O-CB 3.38Å; L316-Q319 PolarHBondContact O-N 3.39Å; M317-Q319 VanDerWaalsContact C-N 3.3Å; M317-Q319 PolarHBondContact O-N 3.43Å; Q319-R322 PolarHBondContact O-N 2.97Å; Q319-Q323 WeakPolarHBondContact O-CB 3.28Å; Q319-Q323 VanDerWaalsContact O-CG 3.31Å; Q319-Q323 WeakPolarHBondContact O-CG 3.45Å; Q319-Q323 PolarHBondContact O-N 2.97Å
320V98Very high96Very high0 Ų040 Ų400%022%0.217CC..Hα-helixtrans-61.4-49.8178.5172.90000110.7P264 Y266 V282 L316 M317 R322 Q323 M324 I337 F358 F362P264-V320 HydrophobicContact CB-CG2 3.97Å; P264-V320 HydrophobicContact CG-CG2 4.34Å; Y266-V320 HydrophobicContact CE1-CG1 4.48Å; Y266-V320 HydrophobicContact CE1-CG2 4.17Å; V282-V320 HydrophobicContact CB-CG2 4.29Å; V282-V320 HydrophobicContact CG1-CG2 3.54Å; V282-V320 HydrophobicContact CG2-CG1 4.17Å; V282-V320 HydrophobicContact CG2-CG2 3.77Å; L316-V320 VanDerWaalsContact O-CG2 3.29Å; L316-V320 WeakPolarHBondContact O-CG2 3.36Å; L316-V320 PolarHBondContact O-N 3.46Å; M317-V320 PolarHBondContact O-N 3.43Å; V320-R322 VanDerWaalsContact C-N 3.33Å; V320-R322 PolarHBondContact O-N 3.49Å; V320-Q323 PolarHBondContact O-N 3.39Å; V320-Q323 VanDerWaalsContact O-N 3.14Å; V320-M324 HydrophobicContact CG1-CG 3.96Å; V320-M324 WeakPolarHBondContact O-CB 3.35Å; V320-M324 VanDerWaalsContact O-CG 3.3Å; V320-M324 WeakPolarHBondContact O-CG 3.48Å; V320-M324 PolarHBondContact O-N 3.03Å; V320-I337 HydrophobicContact CG1-CG2 3.8Å; V320-F358 HydrophobicContact CB-CE2 4.39Å; V320-F358 HydrophobicContact CG1-CE2 4.4Å; V320-F358 HydrophobicContact CG1-CZ 4.18Å; V320-F362 HydrophobicContact CG1-CZ 4.48Å
321A97.6Very high95.9Very high4 Ų438.9 Ų38.93%0.03321%0.21CC..Hα-helixtrans-55.3-48178.500000111.8M317 Q323 N325 F358 S361 F362M317-A321 WeakPolarHBondContact O-CB 3.5Å; M317-A321 PolarHBondContact O-N 2.92Å; A321-Q323 PolarHBondContact O-N 3.05Å; A321-N325 WeakPolarHBondContact O-CB 3.38Å; A321-N325 PolarHBondContact O-N 3.32Å; A321-N325 PolarHBondContact O-ND2 2.93Å; A321-N325 VanDerWaalsContact O-ND2 3.11Å; A321-F358 HydrophobicContact CB-CD2 4.17Å; A321-F358 HydrophobicContact CB-CE2 4Å; A321-S361 WeakPolarHBondContact CB-OG 3.42Å; A321-F362 HydrophobicContact CB-CE2 4.49Å; A321-F362 HydrophobicContact CB-CZ 4.31Å
322R97.4Very high95.7Very high168 Ų16837.3 Ų37.363%0.63420%0.2SC*.Hα-helixtrans-60.9-46.1176.5-73.6-176.3-61.2176.33.1112.3N318 Q319 V320 A326N318-R322 WeakPolarHBondContact O-CG 3.36Å; N318-R322 PolarHBondContact O-N 3.29Å; N318-R322 PolarHBondContact O-NE 3.45Å; N318-R322 VanDerWaalsContact O-NE 3.16Å; Q319-R322 PolarHBondContact O-N 2.97Å; V320-R322 VanDerWaalsContact C-N 3.33Å; V320-R322 PolarHBondContact O-N 3.49Å; R322-A326 PolarHBondContact O-N 3.48Å
323Q97.6Very high95.4Very high43 Ų4341.5 Ų41.520%0.20122%0.219CC..Hα-helixtrans-68.2-43.3-177.5-76.1-179.510.200112.1Y266 Q319 V320 A321 A326 Y489Y266-Q323 VanDerWaalsContact CZ-OE1 3.25Å; Y266-Q323 PolarHBondContact OH-OE1 3.5Å; Q319-Q323 WeakPolarHBondContact O-CB 3.28Å; Q319-Q323 VanDerWaalsContact O-CG 3.31Å; Q319-Q323 WeakPolarHBondContact O-CG 3.45Å; Q319-Q323 PolarHBondContact O-N 2.97Å; V320-Q323 PolarHBondContact O-N 3.39Å; V320-Q323 VanDerWaalsContact O-N 3.14Å; A321-Q323 PolarHBondContact O-N 3.05Å; Q323-A326 WeakPolarHBondContact O-CB 3.39Å; Q323-A326 PolarHBondContact O-N 3.36Å; Q323-Y489 HydrophobicContact CB-CD2 3.68Å; Q323-Y489 HydrophobicContact CB-CE2 3.63Å; Q323-Y489 HydrophobicContact CB-CG 4.35Å; Q323-Y489 HydrophobicContact CG-CD1 4.4Å; Q323-Y489 HydrophobicContact CG-CD2 3.93Å; Q323-Y489 HydrophobicContact CG-CE2 4.11Å; Q323-Y489 HydrophobicContact CG-CG 4.08Å; Q323-Y489 WeakPolarHBondContact O-CE2 3.46Å; Q323-Y489 PolarHBondContact O-OH 2.82Å
324M97.1Very high95.2Very high1 Ų141.6 Ų41.61%0.00522%0.222CC..Hα-helixtrans-69.5-38.1178.2-66.6-58.1142.500112.2Y266 V280 V320 A326 I327 A328 L331 I337 F362 L492Y266-M324 HydrophobicContact CD1-CE 3.7Å; Y266-M324 HydrophobicContact CE1-CE 3.2Å; Y266-M324 HydrophobicContact CE2-CE 4.14Å; Y266-M324 HydrophobicContact CG-CE 4.33Å; Y266-M324 VanDerWaalsContact CZ-CE 3.44Å; V280-M324 HydrophobicContact CG2-CE 4.43Å; V320-M324 HydrophobicContact CG1-CG 3.96Å; V320-M324 WeakPolarHBondContact O-CB 3.35Å; V320-M324 VanDerWaalsContact O-CG 3.3Å; V320-M324 WeakPolarHBondContact O-CG 3.48Å; V320-M324 PolarHBondContact O-N 3.03Å; M324-A326 VanDerWaalsContact C-N 3.28Å; M324-A326 PolarHBondContact O-N 2.92Å; M324-I327 CarbonylContact O-C 3.21Å; M324-I327 PolarHBondContact O-N 3.32Å; M324-I327 VanDerWaalsContact O-N 3.1Å; M324-I327 HydrophobicContact SD-CD1 4.24Å; M324-A328 WeakPolarHBondContact O-CA 3.4Å; M324-A328 PolarHBondContact O-N 2.97Å; M324-L331 HydrophobicContact CB-CD1 4.35Å; M324-L331 HydrophobicContact SD-CD1 4.2Å; M324-L331 HydrophobicContact SD-CD2 4.37Å; M324-I337 HydrophobicContact CB-CD1 4.33Å; M324-I337 HydrophobicContact CG-CD1 3.86Å; M324-I337 HydrophobicContact SD-CD1 4.46Å; M324-F362 HydrophobicContact CB-CD1 4.27Å; M324-F362 HydrophobicContact CB-CE1 3.69Å; M324-F362 HydrophobicContact CG-CE1 4.21Å; M324-L492 HydrophobicContact CE-CD2 3.72Å
325N97.2Very high95.2Very high44 Ų4438.5 Ų38.524%0.23521%0.207CC..Hα-helixtrans-59.9-38.8173-80.9-31.1000112.3A321 I327 A328 S361 F362 T363A321-N325 WeakPolarHBondContact O-CB 3.38Å; A321-N325 PolarHBondContact O-N 3.32Å; A321-N325 PolarHBondContact O-ND2 2.93Å; A321-N325 VanDerWaalsContact O-ND2 3.11Å; N325-I327 PolarHBondContact O-N 3.49Å; N325-A328 WeakPolarHBondContact O-CB 3.28Å; N325-A328 PolarHBondContact O-N 3.3Å; N325-S361 PolarHBondContact ND2-O 2.96Å; N325-F362 WeakPolarHBondContact OD1-CA 3.32Å; N325-T363 PolarHBondContact OD1-N 3.38Å; N325-T363 PolarHBondContact OD1-OG1 2.91Å
326A96.5Very high95.1Very high73 Ų7338 Ų3860%0.60320%0.202SC*.Hα-helixtrans-63.5-21.1177.700000113.4R322 Q323 M324 Y489R322-A326 PolarHBondContact O-N 3.48Å; Q323-A326 WeakPolarHBondContact O-CB 3.39Å; Q323-A326 PolarHBondContact O-N 3.36Å; M324-A326 VanDerWaalsContact C-N 3.28Å; M324-A326 PolarHBondContact O-N 2.92Å; A326-Y489 WeakPolarHBondContact CB-OH 3.47Å
327I94.4Very high95.1Very high12 Ų1237.6 Ų37.66%0.06220%0.2CC..THydrogen-bonded Turntrans-12016.9177.662.9175.7000113.7M324 N325 S329 K330 L331 Y489 V493 I496M324-I327 CarbonylContact O-C 3.21Å; M324-I327 PolarHBondContact O-N 3.32Å; M324-I327 VanDerWaalsContact O-N 3.1Å; M324-I327 HydrophobicContact SD-CD1 4.24Å; N325-I327 PolarHBondContact O-N 3.49Å; I327-S329 VanDerWaalsContact C-N 3.26Å; I327-S329 PolarHBondContact O-N 2.96Å; I327-S329 VanDerWaalsContact O-N 3.12Å; I327-K330 WeakPolarHBondContact O-CA 3.45Å; I327-K330 WeakPolarHBondContact O-CB 3.46Å; I327-K330 PolarHBondContact O-N 3.06Å; I327-L331 HydrophobicContact CD1-CD2 4.03Å; I327-L331 HydrophobicContact CG1-CD2 4.24Å; I327-L331 HydrophobicContact CG1-CG 4.29Å; I327-L331 PolarHBondContact O-N 3.21Å; I327-Y489 HydrophobicContact CD1-CE2 4.16Å; I327-Y489 HydrophobicContact CG2-CE2 4.37Å; I327-Y489 WeakPolarHBondContact CG2-OH 3.32Å; I327-V493 HydrophobicContact CD1-CG2 4.18Å; I327-V493 HydrophobicContact CG2-CG1 4.48Å; I327-V493 HydrophobicContact CG2-CG2 3.76Å; I327-I496 HydrophobicContact CD1-CD1 3.64Å
328A93.8Very high95.1Very high12 Ų1237.4 Ų37.410%0.09920%0.199CC..THydrogen-bonded Turntrans-54.8-39.3-171.700000113.5M324 N325 K330 L331 R364M324-A328 WeakPolarHBondContact O-CA 3.4Å; M324-A328 PolarHBondContact O-N 2.97Å; N325-A328 WeakPolarHBondContact O-CB 3.28Å; N325-A328 PolarHBondContact O-N 3.3Å; A328-K330 PolarHBondContact O-N 3.43Å; A328-L331 PolarHBondContact O-N 3.25Å; A328-R364 HydrophobicContact CB-CG 4.16Å; A328-R364 VanDerWaalsContact O-CD 3.23Å; A328-R364 WeakPolarHBondContact O-CD 3.37Å; A328-R364 PolarHBondContact O-NH1 3.42Å
329S91.4Very high95.1Very high88 Ų8832.7 Ų32.762%0.61517%0.174SC*.THydrogen-bonded Turntrans-69.4-12.7177.766.90000114.1I327 K501I327-S329 VanDerWaalsContact C-N 3.26Å; I327-S329 PolarHBondContact O-N 2.96Å; I327-S329 VanDerWaalsContact O-N 3.12Å; S329-K501 PolarHBondContact O-NZ 3.45Å
330K91.4Very high94.9Very high100 Ų10034 Ų3444%0.43518%0.181SC..THydrogen-bonded Turntrans-101.8-21.3-179.6-54.1-56.3-178.8-177.30112.6I327 A328 I496 L497 K501I327-K330 WeakPolarHBondContact O-CA 3.45Å; I327-K330 WeakPolarHBondContact O-CB 3.46Å; I327-K330 PolarHBondContact O-N 3.06Å; A328-K330 PolarHBondContact O-N 3.43Å; K330-I496 HydrophobicContact CB-CG2 3.94Å; K330-I496 WeakPolarHBondContact O-CG2 3.35Å; K330-L497 HydrophobicContact CD-CD2 4.08Å; K330-L497 HydrophobicContact CG-CD2 4.27Å; K330-K501 VanDerWaalsContact O-CE 3.27Å; K330-K501 WeakPolarHBondContact O-CE 3.44Å
331L91.9Very high94.7Very high4 Ų434 Ų342%0.02118%0.181CC..SBendtrans-65.6141.8176-61.9177.1000110.9M324 I327 A328 F335 R364 L367 I496M324-L331 HydrophobicContact CB-CD1 4.35Å; M324-L331 HydrophobicContact SD-CD1 4.2Å; M324-L331 HydrophobicContact SD-CD2 4.37Å; I327-L331 HydrophobicContact CD1-CD2 4.03Å; I327-L331 HydrophobicContact CG1-CD2 4.24Å; I327-L331 HydrophobicContact CG1-CG 4.29Å; I327-L331 PolarHBondContact O-N 3.21Å; A328-L331 PolarHBondContact O-N 3.25Å; L331-F335 HydrophobicContact CB-CB 4.41Å; L331-F335 HydrophobicContact CB-CG 4.46Å; L331-F335 HydrophobicContact CD1-CD1 4.35Å; L331-F335 HydrophobicContact CD2-CD1 3.94Å; L331-F335 HydrophobicContact CD2-CE1 3.77Å; L331-F335 HydrophobicContact CD2-CE2 4.41Å; L331-F335 HydrophobicContact CD2-CG 4.32Å; L331-F335 HydrophobicContact CD2-CZ 4Å; L331-R364 VanDerWaalsContact C-NH1 3.35Å; L331-R364 VanDerWaalsContact CB-NH1 3.31Å; L331-R364 PolarHBondContact O-NH1 2.97Å; L331-L367 HydrophobicContact CD1-CD2 3.97Å; L331-I496 HydrophobicContact CD2-CD1 3.74Å
332P91.1Very high94.3Very high7 Ų734 Ų345%0.04518%0.181CC..PPolyproline II helixtrans-57.2155.8166.1-23.333000112.8F335 R364 V502 V504P332-F335 HydrophobicContact CB-CD2 4.44Å; P332-F335 HydrophobicContact CG-CD2 3.95Å; P332-F335 WeakPolarHBondContact O-CB 3.42Å; P332-R364 PolarHBondContact O-NH1 3.46Å; P332-R364 VanDerWaalsContact O-NH1 3.1Å; P332-R364 PolarHBondContact O-NH2 3.4Å; P332-V502 WeakPolarHBondContact CB-O 3.23Å; P332-V504 HydrophobicContact CB-CG2 4.24Å
333E90.9Very high93.7Very high90 Ų9026.3 Ų26.342%0.42115%0.153SC..THydrogen-bonded Turntrans-67.1137.8167.5-178.8-179.4166.800109.7F335 D366 K503 V504E333-F335 VanDerWaalsContact C-N 3.3Å; E333-F335 PolarHBondContact O-N 2.88Å; E333-D366 WeakPolarHBondContact CA-OD2 3.28Å; E333-D366 HydrophobicContact CG-CB 4.34Å; E333-D366 WeakPolarHBondContact CG-OD2 3.32Å; E333-K503 HydrophobicContact CB-CG 4.2Å; E333-K503 HydrophobicContact CG-CD 4.32Å; E333-K503 HydrophobicContact CG-CG 4.2Å; E333-K503 VanDerWaalsContact OE1-CE 3.22Å; E333-K503 WeakPolarHBondContact OE1-CE 3.35Å; E333-K503 IonicContact OE1-NZ 3.02Å; E333-K503 PolarHBondContact OE1-NZ 2.89Å; E333-K503 IonicContact OE2-NZ 3.52Å; E333-V504 PolarHBondContact O-N 3.49Å
334G91.3Very high93.1Very high8 Ų825.8 Ų25.88%0.08215%0.154CC..THydrogen-bonded Turntrans75.412.9-176.100000114.5H336 D366 N368 V504G334-H336 PolarHBondContact O-CD2 2.9Å; G334-H336 PolarHBondContact O-N 3.4Å; G334-D366 WeakPolarHBondContact CA-O 3.46Å; G334-D366 PolarHBondContact N-O 3.27Å; G334-N368 PolarHBondContact O-ND2 2.9Å; G334-N368 VanDerWaalsContact O-ND2 3.16Å; G334-V504 WeakPolarHBondContact O-CB 3.44Å
335F94.7Very high92.8Very high0 Ų025.7 Ų25.70%015%0.154CC..  trans-59.5130-174.5-172.2-102000112.4L277 G279 V280 L331 P332 E333 I337 L367 N368L277-F335 HydrophobicContact CD2-CE2 3.73Å; L277-F335 HydrophobicContact CD2-CZ 4.24Å; L277-F335 HydrophobicContact CG-CE2 3.85Å; G279-F335 VanDerWaalsContact CA-CE2 3.47Å; V280-F335 HydrophobicContact CG1-CE1 4.32Å; V280-F335 HydrophobicContact CG1-CZ 3.89Å; V280-F335 HydrophobicContact CG2-CE1 3.89Å; V280-F335 HydrophobicContact CG2-CZ 4.3Å; L331-F335 HydrophobicContact CB-CB 4.41Å; L331-F335 HydrophobicContact CB-CG 4.46Å; L331-F335 HydrophobicContact CD1-CD1 4.35Å; L331-F335 HydrophobicContact CD2-CD1 3.94Å; L331-F335 HydrophobicContact CD2-CE1 3.77Å; L331-F335 HydrophobicContact CD2-CE2 4.41Å; L331-F335 HydrophobicContact CD2-CG 4.32Å; L331-F335 HydrophobicContact CD2-CZ 4Å; P332-F335 HydrophobicContact CB-CD2 4.44Å; P332-F335 HydrophobicContact CG-CD2 3.95Å; P332-F335 WeakPolarHBondContact O-CB 3.42Å; E333-F335 VanDerWaalsContact C-N 3.3Å; E333-F335 PolarHBondContact O-N 2.88Å; F335-I337 HydrophobicContact CD1-CG1 4.02Å; F335-I337 HydrophobicContact CE1-CG1 4.29Å; F335-L367 HydrophobicContact CB-CD2 3.98Å; F335-N368 PolarHBondContact O-N 3.31Å
336H94.9Very high92.5Very high14 Ų1423.7 Ų23.77%0.06514%0.143CC..EExtended strand (participates in β ladder)trans-83.3135.3-177.5-67.6-128.4000111.3R278 G279 V280 G334 N368 V370 Y421R278-H336 PolarHBondContact O-N 3.06Å; G279-H336 CarbonylContact C-O 3.54Å; G279-H336 WeakPolarHBondContact CA-O 3.29Å; V280-H336 PolarHBondContact N-O 3.42Å; G334-H336 PolarHBondContact O-CD2 2.9Å; G334-H336 PolarHBondContact O-N 3.4Å; H336-N368 CarbonylContact C-O 3.51Å; H336-N368 VanDerWaalsContact CA-O 3.31Å; H336-N368 WeakPolarHBondContact CA-O 3.4Å; H336-N368 PolarHBondContact NE2-ND2 2.95Å; H336-V370 HydrophobicContact CB-CG2 4.19Å; H336-Y421 AromaticContact CE1-CZ 3.91Å; H336-Y421 PolarHBondContact CE1-OH 3.1Å; H336-Y421 VanDerWaalsContact CE1-OH 3.28Å
337I97.5Very high92.1Very high1 Ų124.7 Ų24.71%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-126.1100.2171.6-58.3168.8000107.2V282 V320 M324 F335 F362 L367 N368 L369 V370V282-I337 HydrophobicContact CG2-CG2 4.07Å; V320-I337 HydrophobicContact CG1-CG2 3.8Å; M324-I337 HydrophobicContact CB-CD1 4.33Å; M324-I337 HydrophobicContact CG-CD1 3.86Å; M324-I337 HydrophobicContact SD-CD1 4.46Å; F335-I337 HydrophobicContact CD1-CG1 4.02Å; F335-I337 HydrophobicContact CE1-CG1 4.29Å; I337-F362 HydrophobicContact CD1-CE1 3.71Å; I337-F362 HydrophobicContact CD1-CZ 4Å; I337-L367 HydrophobicContact CD1-CD1 3.99Å; I337-L367 HydrophobicContact CD1-CD2 4.47Å; I337-N368 PolarHBondContact N-O 3.48Å; I337-L369 HydrophobicContact CB-CD2 4.26Å; I337-L369 HydrophobicContact CD1-CD2 4.25Å; I337-V370 PolarHBondContact O-N 2.98Å
338G96.8Very high91.8Very high2 Ų225.2 Ų25.22%0.02114%0.142CC..EExtended strand (participates in β ladder)trans-85.2127.5176.500000112.1V280 V282 V370 E372V280-G338 PolarHBondContact O-N 2.94Å; V282-G338 WeakPolarHBondContact CB-O 3.43Å; V282-G338 VanDerWaalsContact CG2-O 3.29Å; V282-G338 WeakPolarHBondContact CG2-O 3.39Å; V282-G338 PolarHBondContact N-O 3.29Å; G338-V370 WeakPolarHBondContact CA-O 3.45Å; G338-E372 WeakPolarHBondContact CA-OE1 3.47Å
339I97Very high91.4Very high2 Ų230.3 Ų30.31%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-124.5129.2171.7-62.5-175.6000108.3V282 T313 M317 F341 F358 V370 E372V282-I339 HydrophobicContact CB-CG1 4.13Å; V282-I339 HydrophobicContact CG2-CG1 3.97Å; T313-I339 HydrophobicContact CG2-CG2 4.14Å; M317-I339 HydrophobicContact CG-CD1 3.85Å; I339-F341 HydrophobicContact CB-CE2 3.74Å; I339-F341 HydrophobicContact CB-CZ 4.22Å; I339-F341 HydrophobicContact CG2-CD2 4.25Å; I339-F341 HydrophobicContact CG2-CE1 4.48Å; I339-F341 HydrophobicContact CG2-CE2 3.59Å; I339-F341 HydrophobicContact CG2-CZ 3.73Å; I339-F341 WeakPolarHBondContact O-CD2 3.29Å; I339-F341 VanDerWaalsContact O-CE2 3.32Å; I339-F341 WeakPolarHBondContact O-CE2 3.41Å; I339-F358 HydrophobicContact CD1-CE1 3.62Å; I339-F358 HydrophobicContact CD1-CE2 4.1Å; I339-F358 HydrophobicContact CD1-CZ 3.32Å; I339-V370 PolarHBondContact N-O 3.37Å; I339-E372 PolarHBondContact O-N 3.06Å
340N94.5Very high91.3Very high40 Ų4029.2 Ų29.221%0.21416%0.164CC..EExtended strand (participates in β ladder)trans-73.7131.9175.2-78.6-108.8000112.1E281 E372 T374 D402E281-N340 PolarHBondContact OE1-ND2 3.31Å; N340-E372 CarbonylContact C-O 3.56Å; N340-E372 WeakPolarHBondContact CA-O 3.49Å; N340-E372 PolarHBondContact ND2-OE2 2.93Å; N340-T374 HydrophobicContact CB-CG2 4Å; N340-T374 WeakPolarHBondContact OD1-CG2 3.43Å; N340-D402 PolarHBondContact OD1-OD2 3.16Å
341F93.8Very high91.5Very high1 Ų124.5 Ų24.50%0.00414%0.144CC..EExtended strand (participates in β ladder)trans-126.6128.6175.9-67.4-88000110.7T313 M317 I339 H345 I346 F351 L371 E372 T374T313-F341 HydrophobicContact CG2-CD1 3.83Å; T313-F341 HydrophobicContact CG2-CE1 3.54Å; T313-F341 HydrophobicContact CG2-CZ 4.2Å; M317-F341 HydrophobicContact CE-CE1 4.36Å; M317-F341 HydrophobicContact CE-CZ 4.06Å; M317-F341 HydrophobicContact SD-CE1 3.94Å; M317-F341 HydrophobicContact SD-CZ 4Å; I339-F341 HydrophobicContact CB-CE2 3.74Å; I339-F341 HydrophobicContact CB-CZ 4.22Å; I339-F341 HydrophobicContact CG2-CD2 4.25Å; I339-F341 HydrophobicContact CG2-CE1 4.48Å; I339-F341 HydrophobicContact CG2-CE2 3.59Å; I339-F341 HydrophobicContact CG2-CZ 3.73Å; I339-F341 WeakPolarHBondContact O-CD2 3.29Å; I339-F341 VanDerWaalsContact O-CE2 3.32Å; I339-F341 WeakPolarHBondContact O-CE2 3.41Å; F341-H345 AromaticContact CD1-CE1 3.89Å; F341-H345 AromaticContact CD1-ND1 3.56Å; F341-H345 AromaticContact CE1-CE1 3.82Å; F341-H345 AromaticContact CE1-ND1 3.96Å; F341-I346 HydrophobicContact CB-CD1 4.15Å; F341-I346 HydrophobicContact CB-CG1 3.93Å; F341-F351 HydrophobicContact CD1-CD2 4.37Å; F341-F351 AromaticContact CD1-CE2 3.55Å; F341-F351 HydrophobicContact CD1-CE2 3.55Å; F341-F351 HydrophobicContact CD1-CZ 4.43Å; F341-F351 AromaticContact CE1-CE2 3.78Å; F341-F351 HydrophobicContact CE1-CE2 3.78Å; F341-F351 HydrophobicContact CG-CE2 4.05Å; F341-F351 HydrophobicContact CZ-CE2 4.46Å; F341-L371 HydrophobicContact CD2-CB 4.27Å; F341-L371 HydrophobicContact CD2-CD2 4.1Å; F341-L371 HydrophobicContact CE2-CB 4.38Å; F341-L371 HydrophobicContact CE2-CD2 3.4Å; F341-L371 VanDerWaalsContact CE2-CD2 3.4Å; F341-L371 HydrophobicContact CE2-CG 4.47Å; F341-L371 HydrophobicContact CZ-CD2 3.98Å; F341-E372 PolarHBondContact N-O 2.91Å; F341-T374 PolarHBondContact O-N 3.01Å; F341-T374 VanDerWaalsContact O-N 3.14Å; F341-T374 PolarHBondContact O-OG1 3.01Å
342S89.3Confident91.7Very high4 Ų425.2 Ų25.23%0.02815%0.148CC..  trans-75.5156.8171.9660000111I309 S344 H345 I346I309-S342 WeakPolarHBondContact CG1-OG 3.42Å; I309-S342 WeakPolarHBondContact CG2-OG 3.35Å; S342-S344 PolarHBondContact O-N 3.47Å; S342-S344 PolarHBondContact OG-OG 3.44Å; S342-H345 PolarHBondContact O-N 2.92Å; S342-H345 PolarHBondContact OG-N 2.95Å; S342-I346 WeakPolarHBondContact O-CG1 3.45Å; S342-I346 PolarHBondContact O-N 3.27Å; S342-I346 VanDerWaalsContact O-N 3.09Å
343A84.8Confident91.9Very high6 Ų629.7 Ų29.75%0.0517%0.172CC..Hα-helixtrans-55.6-43174.600000111.3H345 I346 I347 E377 L379A343-H345 VanDerWaalsContact C-N 3.27Å; A343-H345 PolarHBondContact O-N 3.45Å; A343-I346 PolarHBondContact O-N 3.14Å; A343-I347 WeakPolarHBondContact O-CG1 3.31Å; A343-I347 WeakPolarHBondContact O-CG2 3.46Å; A343-I347 PolarHBondContact O-N 3.07Å; A343-E377 HydrophobicContact CB-CB 3.76Å; A343-L379 HydrophobicContact CB-CD1 3.77Å
344S84.9Confident92.2Very high32 Ų3226.7 Ų26.722%0.22416%0.158CC..Hα-helixtrans-56.1-32.9174.442.50000114.7S342 I347 E377S342-S344 PolarHBondContact O-N 3.47Å; S342-S344 PolarHBondContact OG-OG 3.44Å; S344-I347 WeakPolarHBondContact O-CG1 3.46Å; S344-E377 VanDerWaalsContact CB-OE2 3.24Å; S344-E377 WeakPolarHBondContact CB-OE2 3.5Å; S344-E377 PolarHBondContact N-OE2 2.81Å; S344-E377 PolarHBondContact OG-OE2 2.79Å
345H91Very high92.5Very high0 Ų026.3 Ų26.30%015%0.154CC..Hα-helixtrans-77.6-44.8174.6-165.9169.8000111.2V310 T313 F341 S342 A343 I347 S348 F351 E354V310-H345 HydrophobicContact CG2-CB 4.06Å; T313-H345 WeakPolarHBondContact CB-ND1 3.48Å; F341-H345 AromaticContact CD1-CE1 3.89Å; F341-H345 AromaticContact CD1-ND1 3.56Å; F341-H345 AromaticContact CE1-CE1 3.82Å; F341-H345 AromaticContact CE1-ND1 3.96Å; S342-H345 PolarHBondContact O-N 2.92Å; S342-H345 PolarHBondContact OG-N 2.95Å; A343-H345 VanDerWaalsContact C-N 3.27Å; A343-H345 PolarHBondContact O-N 3.45Å; H345-I347 VanDerWaalsContact C-N 3.28Å; H345-I347 PolarHBondContact O-N 3.48Å; H345-S348 WeakPolarHBondContact O-CB 3.47Å; H345-S348 PolarHBondContact O-N 3.24Å; H345-F351 AromaticContact CD2-CD2 3.9Å; H345-E354 IonicContact CD2-OE2 3.38Å; H345-E354 IonicContact CE1-OE2 2.83Å; H345-E354 IonicContact NE2-OE2 3.01Å; H345-E354 PolarHBondContact NE2-OE2 3.22Å
346I90.7Very high92.6Very high1 Ų127.9 Ų27.91%0.00516%0.162CC..Hα-helixtrans-59.8-38.7-178-63.2167.2000111.8F341 S342 A343 S348 F351 V373 L385 L389F341-I346 HydrophobicContact CB-CD1 4.15Å; F341-I346 HydrophobicContact CB-CG1 3.93Å; S342-I346 WeakPolarHBondContact O-CG1 3.45Å; S342-I346 PolarHBondContact O-N 3.27Å; S342-I346 VanDerWaalsContact O-N 3.09Å; A343-I346 PolarHBondContact O-N 3.14Å; I346-S348 PolarHBondContact O-N 2.88Å; I346-F351 HydrophobicContact CB-CD1 4.45Å; I346-F351 HydrophobicContact CB-CE1 4.27Å; I346-F351 HydrophobicContact CB-CZ 4.44Å; I346-F351 HydrophobicContact CG1-CE1 4.2Å; I346-F351 HydrophobicContact CG1-CE2 4.23Å; I346-F351 HydrophobicContact CG1-CZ 3.91Å; I346-F351 HydrophobicContact CG2-CD1 4.12Å; I346-F351 HydrophobicContact CG2-CE1 3.86Å; I346-F351 HydrophobicContact CG2-CZ 4.42Å; I346-F351 WeakPolarHBondContact O-CD1 3.04Å; I346-V373 HydrophobicContact CD1-CB 4.25Å; I346-V373 HydrophobicContact CD1-CG1 3.71Å; I346-V373 HydrophobicContact CD1-CG2 3.83Å; I346-L385 HydrophobicContact CG2-CD1 3.28Å; I346-L389 HydrophobicContact CG2-CD2 4.45Å
347I87Confident92.7Very high94 Ų9432.4 Ų32.448%0.48219%0.187SC..THydrogen-bonded Turntrans-76-6.9177.768.6177.5000113.5A343 S344 H345 R388A343-I347 WeakPolarHBondContact O-CG1 3.31Å; A343-I347 WeakPolarHBondContact O-CG2 3.46Å; A343-I347 PolarHBondContact O-N 3.07Å; S344-I347 WeakPolarHBondContact O-CG1 3.46Å; H345-I347 VanDerWaalsContact C-N 3.28Å; H345-I347 PolarHBondContact O-N 3.48Å; I347-R388 PolarHBondContact O-NH1 2.92Å
348S88Confident92.7Very high23 Ų2333 Ų3316%0.16119%0.189CC..SBendtrans-60.2137.5175.4-176.30000110.6H345 I346 T350 F351 R388H345-S348 WeakPolarHBondContact O-CB 3.47Å; H345-S348 PolarHBondContact O-N 3.24Å; I346-S348 PolarHBondContact O-N 2.88Å; S348-T350 PolarHBondContact O-N 3.18Å; S348-T350 VanDerWaalsContact O-N 3.17Å; S348-T350 PolarHBondContact OG-N 3.44Å; S348-T350 PolarHBondContact OG-OG1 3Å; S348-F351 WeakPolarHBondContact O-CB 3.41Å; S348-F351 PolarHBondContact O-N 3.1Å; S348-R388 PolarHBondContact O-NH1 3.24Å; S348-R388 VanDerWaalsContact O-NH1 3.11Å
349P86Confident92.6Very high119 Ų11935.8 Ų35.877%0.77320%0.199SC*.THydrogen-bonded Turntrans-58.5-27.4175.9-24.934.4000113.7
350T90.8Very high92.6Very high65 Ų6539 Ų3940%0.39922%0.217SC..THydrogen-bonded Turntrans-89-3.8-176.752.70000113.6S348 V352 D353 E354S348-T350 PolarHBondContact O-N 3.18Å; S348-T350 VanDerWaalsContact O-N 3.17Å; S348-T350 PolarHBondContact OG-N 3.44Å; S348-T350 PolarHBondContact OG-OG1 3Å; T350-V352 PolarHBondContact O-N 3.33Å; T350-D353 PolarHBondContact O-N 3.13Å; T350-E354 WeakPolarHBondContact CB-OE1 3.45Å; T350-E354 WeakPolarHBondContact O-CB 3.26Å; T350-E354 WeakPolarHBondContact O-CG 3.43Å; T350-E354 PolarHBondContact O-N 3.34Å; T350-E354 PolarHBondContact OG1-OE1 2.97Å
351F94.8Very high92.7Very high1 Ų139.4 Ų39.40%0.00422%0.222CC..Hα-helixtrans-57.8-49.8-170.8175.6-117.8000113.6F341 H345 I346 S348 D353 E354 C355 L371 L389 L392F341-F351 HydrophobicContact CD1-CD2 4.37Å; F341-F351 AromaticContact CD1-CE2 3.55Å; F341-F351 HydrophobicContact CD1-CE2 3.55Å; F341-F351 HydrophobicContact CD1-CZ 4.43Å; F341-F351 AromaticContact CE1-CE2 3.78Å; F341-F351 HydrophobicContact CE1-CE2 3.78Å; F341-F351 HydrophobicContact CG-CE2 4.05Å; F341-F351 HydrophobicContact CZ-CE2 4.46Å; H345-F351 AromaticContact CD2-CD2 3.9Å; I346-F351 HydrophobicContact CB-CD1 4.45Å; I346-F351 HydrophobicContact CB-CE1 4.27Å; I346-F351 HydrophobicContact CB-CZ 4.44Å; I346-F351 HydrophobicContact CG1-CE1 4.2Å; I346-F351 HydrophobicContact CG1-CE2 4.23Å; I346-F351 HydrophobicContact CG1-CZ 3.91Å; I346-F351 HydrophobicContact CG2-CD1 4.12Å; I346-F351 HydrophobicContact CG2-CE1 3.86Å; I346-F351 HydrophobicContact CG2-CZ 4.42Å; I346-F351 WeakPolarHBondContact O-CD1 3.04Å; S348-F351 WeakPolarHBondContact O-CB 3.41Å; S348-F351 PolarHBondContact O-N 3.1Å; F351-D353 PolarHBondContact O-N 2.96Å; F351-E354 WeakPolarHBondContact O-CB 3.38Å; F351-E354 PolarHBondContact O-N 3.15Å; F351-C355 VanDerWaalsContact CE2-SG 3.5Å; F351-C355 PolarHBondContact O-N 3.07Å; F351-C355 PolarHBondContact O-SG 3.39Å; F351-L371 HydrophobicContact CZ-CD1 4.32Å; F351-L389 HydrophobicContact CE1-CD2 4.33Å; F351-L392 HydrophobicContact CD1-CD1 4.07Å; F351-L392 HydrophobicContact CE1-CD1 3.4Å; F351-L392 HydrophobicContact CZ-CD1 3.95Å
352V95.6Very high92.8Very high20 Ų2039.6 Ų39.612%0.12122%0.223CC..Hα-helixtrans-61.9-47.4-178.6174.70000110.7T350 E354 C355 L356 R388 I391 L392T350-V352 PolarHBondContact O-N 3.33Å; V352-E354 VanDerWaalsContact C-N 3.31Å; V352-E354 PolarHBondContact O-N 2.86Å; V352-C355 PolarHBondContact O-N 3.08Å; V352-L356 HydrophobicContact CG1-CD1 3.95Å; V352-L356 HydrophobicContact CG1-CG 4.31Å; V352-L356 VanDerWaalsContact O-CG 3.31Å; V352-L356 WeakPolarHBondContact O-CG 3.35Å; V352-L356 PolarHBondContact O-N 3.27Å; V352-R388 HydrophobicContact CG2-CB 3.86Å; V352-R388 HydrophobicContact CG2-CG 3.69Å; V352-I391 HydrophobicContact CG1-CG2 3.76Å; V352-L392 HydrophobicContact CG1-CD2 4.16Å; V352-L392 HydrophobicContact CG2-CD1 4.48Å; V352-L392 HydrophobicContact CG2-CG 4.43Å
353D96.5Very high93.1Very high100 Ų10044.2 Ų44.254%0.53525%0.251SS..Hα-helixtrans-62-39.3178.9-67.7-26.6000111.9T350 F351 L356 N357T350-D353 PolarHBondContact O-N 3.13Å; F351-D353 PolarHBondContact O-N 2.96Å; D353-L356 PolarHBondContact O-N 3.38Å; D353-N357 VanDerWaalsContact O-CB 3.29Å; D353-N357 WeakPolarHBondContact O-CB 3.38Å; D353-N357 PolarHBondContact O-N 2.9Å; D353-N357 PolarHBondContact O-ND2 2.99Å
354E96.2Very high93.4Very high28 Ų2845.8 Ų45.813%0.13126%0.256CS..Hα-helixtrans-62.2-45.3175.7-72.6166.9-153.100112.2Q314 H345 T350 F351 V352 F358Q314-E354 WeakPolarHBondContact CG-OE2 3.45Å; Q314-E354 PolarHBondContact NE2-OE1 3.39Å; Q314-E354 PolarHBondContact NE2-OE2 3.3Å; Q314-E354 VanDerWaalsContact NE2-OE2 3.15Å; H345-E354 IonicContact CD2-OE2 3.38Å; H345-E354 IonicContact CE1-OE2 2.83Å; H345-E354 IonicContact NE2-OE2 3.01Å; H345-E354 PolarHBondContact NE2-OE2 3.22Å; T350-E354 WeakPolarHBondContact CB-OE1 3.45Å; T350-E354 WeakPolarHBondContact O-CB 3.26Å; T350-E354 WeakPolarHBondContact O-CG 3.43Å; T350-E354 PolarHBondContact O-N 3.34Å; T350-E354 PolarHBondContact OG1-OE1 2.97Å; F351-E354 WeakPolarHBondContact O-CB 3.38Å; F351-E354 PolarHBondContact O-N 3.15Å; V352-E354 VanDerWaalsContact C-N 3.31Å; V352-E354 PolarHBondContact O-N 2.86Å; E354-F358 WeakPolarHBondContact O-CB 3.19Å; E354-F358 PolarHBondContact O-N 3.46Å
355C97.3Very high93.6Very high0 Ų052.2 Ų52.20%028%0.275CS..Hα-helixtrans-62.6-48.9175.7-71.80000111.1F351 V352 N357 F358 R359 L392 F397F351-C355 VanDerWaalsContact CE2-SG 3.5Å; F351-C355 PolarHBondContact O-N 3.07Å; F351-C355 PolarHBondContact O-SG 3.39Å; V352-C355 PolarHBondContact O-N 3.08Å; C355-N357 VanDerWaalsContact C-N 3.34Å; C355-N357 PolarHBondContact O-N 3.3Å; C355-F358 WeakPolarHBondContact O-CA 3.5Å; C355-F358 WeakPolarHBondContact O-CB 3.41Å; C355-F358 PolarHBondContact O-N 3.4Å; C355-R359 PolarHBondContact O-N 3.24Å; C355-L392 HydrophobicContact CB-CD1 4.39Å; C355-L392 HydrophobicContact CB-CD2 3.5Å; C355-L392 VanDerWaalsContact CB-CD2 3.5Å; C355-F397 HydrophobicContact CB-CE1 4.31Å; C355-F397 HydrophobicContact CB-CE2 4.22Å; C355-F397 HydrophobicContact CB-CZ 3.88Å; C355-F397 VanDerWaalsContact O-CZ 3.23Å; C355-F397 WeakPolarHBondContact O-CZ 3.06Å
356L96.9Very high93.7Very high33 Ų3354.9 Ų54.917%0.17329%0.29CS..Hα-helixtrans-59-44.8178.6-66.4176000111.8V352 D353 F358 R359 D360 N395 F397V352-L356 HydrophobicContact CG1-CD1 3.95Å; V352-L356 HydrophobicContact CG1-CG 4.31Å; V352-L356 VanDerWaalsContact O-CG 3.31Å; V352-L356 WeakPolarHBondContact O-CG 3.35Å; V352-L356 PolarHBondContact O-N 3.27Å; D353-L356 PolarHBondContact O-N 3.38Å; L356-F358 VanDerWaalsContact C-N 3.29Å; L356-F358 PolarHBondContact O-N 3Å; L356-R359 WeakPolarHBondContact O-CB 3.49Å; L356-R359 PolarHBondContact O-N 3.14Å; L356-D360 WeakPolarHBondContact O-CB 3.35Å; L356-D360 VanDerWaalsContact O-CG 3.3Å; L356-D360 PolarHBondContact O-N 3.4Å; L356-N395 HydrophobicContact CD2-CB 3.67Å; L356-F397 HydrophobicContact CD2-CE2 4.35Å
357N97Very high93.9Very high109 Ų10955.7 Ų55.758%0.58329%0.294SS*.Hα-helixtrans-60.8-39.1174.4-75.6-42.1000112.1D353 C355 D360 S361D353-N357 VanDerWaalsContact O-CB 3.29Å; D353-N357 WeakPolarHBondContact O-CB 3.38Å; D353-N357 PolarHBondContact O-N 2.9Å; D353-N357 PolarHBondContact O-ND2 2.99Å; C355-N357 VanDerWaalsContact C-N 3.34Å; C355-N357 PolarHBondContact O-N 3.3Å; N357-D360 PolarHBondContact O-N 3.4Å; N357-S361 WeakPolarHBondContact O-CB 3.4Å; N357-S361 PolarHBondContact O-N 2.98Å
358F96.8Very high94.2Very high12 Ų1253 Ų535%0.05328%0.28CS..Hα-helixtrans-64-46.5175.4173.9-115.9000112M317 V320 A321 I339 E354 C355 L356 D360 S361 F362 L369M317-F358 HydrophobicContact CB-CD2 3.69Å; M317-F358 HydrophobicContact CB-CE2 3.94Å; M317-F358 HydrophobicContact CB-CG 4.24Å; M317-F358 HydrophobicContact CE-CB 3.39Å; M317-F358 HydrophobicContact CE-CD1 3.85Å; M317-F358 HydrophobicContact CE-CD2 4.29Å; M317-F358 HydrophobicContact CE-CG 3.6Å; M317-F358 HydrophobicContact CG-CD2 4.31Å; M317-F358 HydrophobicContact CG-CE2 4.45Å; M317-F358 HydrophobicContact CG-CG 4.46Å; M317-F358 VanDerWaalsContact O-CE2 3.24Å; M317-F358 WeakPolarHBondContact O-CE2 3.43Å; V320-F358 HydrophobicContact CB-CE2 4.39Å; V320-F358 HydrophobicContact CG1-CE2 4.4Å; V320-F358 HydrophobicContact CG1-CZ 4.18Å; A321-F358 HydrophobicContact CB-CD2 4.17Å; A321-F358 HydrophobicContact CB-CE2 4Å; I339-F358 HydrophobicContact CD1-CE1 3.62Å; I339-F358 HydrophobicContact CD1-CE2 4.1Å; I339-F358 HydrophobicContact CD1-CZ 3.32Å; E354-F358 WeakPolarHBondContact O-CB 3.19Å; E354-F358 PolarHBondContact O-N 3.46Å; C355-F358 WeakPolarHBondContact O-CA 3.5Å; C355-F358 WeakPolarHBondContact O-CB 3.41Å; C355-F358 PolarHBondContact O-N 3.4Å; L356-F358 VanDerWaalsContact C-N 3.29Å; L356-F358 PolarHBondContact O-N 3Å; F358-D360 VanDerWaalsContact C-N 3.28Å; F358-D360 PolarHBondContact O-N 2.97Å; F358-S361 WeakPolarHBondContact O-CB 3.44Å; F358-S361 PolarHBondContact O-N 3.21Å; F358-S361 PolarHBondContact O-OG 3.08Å; F358-F362 AromaticContact CD1-CE2 4Å; F358-F362 HydrophobicContact CD1-CE2 4Å; F358-F362 AromaticContact CD2-CE2 3.79Å; F358-F362 HydrophobicContact CD2-CE2 3.79Å; F358-F362 HydrophobicContact CD2-CZ 4.3Å; F358-F362 AromaticContact CE1-CE2 3.65Å; F358-F362 HydrophobicContact CE1-CE2 3.65Å; F358-F362 HydrophobicContact CE1-CZ 4.02Å; F358-F362 AromaticContact CE2-CE2 3.42Å; F358-F362 HydrophobicContact CE2-CE2 3.42Å; F358-F362 VanDerWaalsContact CE2-CE2 3.42Å; F358-F362 AromaticContact CE2-CZ 3.49Å; F358-F362 HydrophobicContact CE2-CZ 3.49Å; F358-F362 VanDerWaalsContact CE2-CZ 3.49Å; F358-F362 HydrophobicContact CG-CE2 4.07Å; F358-F362 AromaticContact CZ-CE2 3.35Å; F358-F362 HydrophobicContact CZ-CE2 3.35Å; F358-F362 AromaticContact CZ-CZ 3.33Å; F358-F362 HydrophobicContact CZ-CZ 3.33Å; F358-F362 WeakPolarHBondContact O-CD2 3.43Å; F358-F362 WeakPolarHBondContact O-CE2 3.46Å; F358-L369 HydrophobicContact CD1-CD1 4.37Å; F358-L369 HydrophobicContact CE1-CD1 4.44Å; F358-L369 HydrophobicContact CE1-CD2 4.11Å
359R96.5Very high94.6Very high61 Ų6152.3 Ų52.323%0.2328%0.275CS..Hα-helixtrans-55.1-45.8172.1179.7-161.268.8-165.5-8.3111.6C355 L356 S361 F362 L369 N395 F397C355-R359 PolarHBondContact O-N 3.24Å; L356-R359 WeakPolarHBondContact O-CB 3.49Å; L356-R359 PolarHBondContact O-N 3.14Å; R359-S361 PolarHBondContact O-N 3.07Å; R359-F362 PolarHBondContact O-N 3.43Å; R359-L369 HydrophobicContact CB-CD1 3.64Å; R359-L369 HydrophobicContact CG-CD1 3.88Å; R359-N395 PolarHBondContact NH1-O 2.9Å; R359-N395 PolarHBondContact NH1-OD1 3.01Å; R359-F397 HydrophobicContact CB-CE2 4.11Å; R359-F397 HydrophobicContact CB-CZ 3.72Å
360D96.2Very high95.1Very high71 Ų7147.1 Ų47.138%0.3824%0.241SC..Hα-helixtrans-74.6-17-175.5-66.4-24.9000113.5L356 N357 F358 F362 R365L356-D360 WeakPolarHBondContact O-CB 3.35Å; L356-D360 VanDerWaalsContact O-CG 3.3Å; L356-D360 PolarHBondContact O-N 3.4Å; N357-D360 PolarHBondContact O-N 3.4Å; F358-D360 VanDerWaalsContact C-N 3.28Å; F358-D360 PolarHBondContact O-N 2.97Å; D360-F362 VanDerWaalsContact C-N 3.27Å; D360-F362 PolarHBondContact O-N 3.2Å; D360-R365 IonicContact OD1-CZ 3.53Å; D360-R365 IonicContact OD1-NH1 2.71Å; D360-R365 PolarHBondContact OD1-NH1 2.78Å; D360-R365 IonicContact OD1-NH2 3.64Å
361S96.6Very high95.3Very high48 Ų4844.2 Ų44.234%0.33622%0.223SC..Hα-helixtrans-72.6-17.1171.879.30000113.5A321 N325 N357 F358 R359A321-S361 WeakPolarHBondContact CB-OG 3.42Å; N325-S361 PolarHBondContact ND2-O 2.96Å; N357-S361 WeakPolarHBondContact O-CB 3.4Å; N357-S361 PolarHBondContact O-N 2.98Å; F358-S361 WeakPolarHBondContact O-CB 3.44Å; F358-S361 PolarHBondContact O-N 3.21Å; F358-S361 PolarHBondContact O-OG 3.08Å; R359-S361 PolarHBondContact O-N 3.07Å
362F96.4Very high95.3Very high5 Ų544.7 Ų44.72%0.02223%0.225CC..  trans-81.2136.2175.7-68.4-88.3000112V320 A321 M324 N325 I337 F358 R359 D360 R364 L367 L369V320-F362 HydrophobicContact CG1-CZ 4.48Å; A321-F362 HydrophobicContact CB-CE2 4.49Å; A321-F362 HydrophobicContact CB-CZ 4.31Å; M324-F362 HydrophobicContact CB-CD1 4.27Å; M324-F362 HydrophobicContact CB-CE1 3.69Å; M324-F362 HydrophobicContact CG-CE1 4.21Å; N325-F362 WeakPolarHBondContact OD1-CA 3.32Å; I337-F362 HydrophobicContact CD1-CE1 3.71Å; I337-F362 HydrophobicContact CD1-CZ 4Å; F358-F362 AromaticContact CD1-CE2 4Å; F358-F362 HydrophobicContact CD1-CE2 4Å; F358-F362 AromaticContact CD2-CE2 3.79Å; F358-F362 HydrophobicContact CD2-CE2 3.79Å; F358-F362 HydrophobicContact CD2-CZ 4.3Å; F358-F362 AromaticContact CE1-CE2 3.65Å; F358-F362 HydrophobicContact CE1-CE2 3.65Å; F358-F362 HydrophobicContact CE1-CZ 4.02Å; F358-F362 AromaticContact CE2-CE2 3.42Å; F358-F362 HydrophobicContact CE2-CE2 3.42Å; F358-F362 VanDerWaalsContact CE2-CE2 3.42Å; F358-F362 AromaticContact CE2-CZ 3.49Å; F358-F362 HydrophobicContact CE2-CZ 3.49Å; F358-F362 VanDerWaalsContact CE2-CZ 3.49Å; F358-F362 HydrophobicContact CG-CE2 4.07Å; F358-F362 AromaticContact CZ-CE2 3.35Å; F358-F362 HydrophobicContact CZ-CE2 3.35Å; F358-F362 AromaticContact CZ-CZ 3.33Å; F358-F362 HydrophobicContact CZ-CZ 3.33Å; F358-F362 WeakPolarHBondContact O-CD2 3.43Å; F358-F362 WeakPolarHBondContact O-CE2 3.46Å; R359-F362 PolarHBondContact O-N 3.43Å; D360-F362 VanDerWaalsContact C-N 3.27Å; D360-F362 PolarHBondContact O-N 3.2Å; F362-R364 VanDerWaalsContact C-N 3.32Å; F362-L367 HydrophobicContact CB-CD1 4.15Å; F362-L367 HydrophobicContact CD1-CD1 3.42Å; F362-L367 VanDerWaalsContact CD1-CD1 3.42Å; F362-L367 HydrophobicContact CE1-CD1 3.96Å; F362-L367 HydrophobicContact CG-CD1 3.92Å; F362-L369 HydrophobicContact CD2-CD1 4.26Å; F362-L369 HydrophobicContact CD2-CD2 4.2Å; F362-L369 HydrophobicContact CE2-CD1 4.2Å; F362-L369 HydrophobicContact CE2-CD2 3.7Å; F362-L369 HydrophobicContact CZ-CD2 3.98Å
363T94.1Very high95Very high100 Ų10044.2 Ų44.261%0.61322%0.222SC*.SBendtrans-72.1-27.8174.152.40000112.5N325N325-T363 PolarHBondContact OD1-N 3.38Å; N325-T363 PolarHBondContact OD1-OG1 2.91Å
364R91.1Very high94.3Very high40 Ų4040.1 Ų40.115%0.15120%0.201CC..  trans-96.6139.3176.6-85.3-171.453.6-164.3-22.1111.2A328 L331 P332 F362 D366 L367A328-R364 HydrophobicContact CB-CG 4.16Å; A328-R364 VanDerWaalsContact O-CD 3.23Å; A328-R364 WeakPolarHBondContact O-CD 3.37Å; A328-R364 PolarHBondContact O-NH1 3.42Å; L331-R364 VanDerWaalsContact C-NH1 3.35Å; L331-R364 VanDerWaalsContact CB-NH1 3.31Å; L331-R364 PolarHBondContact O-NH1 2.97Å; P332-R364 PolarHBondContact O-NH1 3.46Å; P332-R364 VanDerWaalsContact O-NH1 3.1Å; P332-R364 PolarHBondContact O-NH2 3.4Å; F362-R364 VanDerWaalsContact C-N 3.32Å; R364-D366 WeakPolarHBondContact CB-OD1 3.46Å; R364-D366 IonicContact CZ-OD1 2.68Å; R364-D366 IonicContact CZ-OD2 2.69Å; R364-D366 IonicContact NE-OD1 3.66Å; R364-D366 PolarHBondContact NE-OD1 2.82Å; R364-D366 IonicContact NE-OD2 3.81Å; R364-D366 PolarHBondContact NE-OD2 2.85Å; R364-D366 IonicContact NH2-OD1 2.66Å; R364-D366 PolarHBondContact NH2-OD1 3.27Å; R364-D366 IonicContact NH2-OD2 2.79Å; R364-D366 PolarHBondContact NH2-OD2 2.92Å; R364-L367 HydrophobicContact CB-CD1 4.08Å; R364-L367 HydrophobicContact CB-CG 3.99Å
365R90.9Very high93.1Very high166 Ų16639.3 Ų39.363%0.62620%0.197SC*.SBendtrans-104.4-4-178.1-61-60.3-178.8168.5-2.3113.8D360D360-R365 IonicContact OD1-CZ 3.53Å; D360-R365 IonicContact OD1-NH1 2.71Å; D360-R365 PolarHBondContact OD1-NH1 2.78Å; D360-R365 IonicContact OD1-NH2 3.64Å
366D92.4Very high91.8Very high57 Ų5745.6 Ų45.631%0.30522%0.221SC..SBendtrans-105.524.9-179.464.7-49000111.8E333 G334 R364E333-D366 WeakPolarHBondContact CA-OD2 3.28Å; E333-D366 HydrophobicContact CG-CB 4.34Å; E333-D366 WeakPolarHBondContact CG-OD2 3.32Å; G334-D366 WeakPolarHBondContact CA-O 3.46Å; G334-D366 PolarHBondContact N-O 3.27Å; R364-D366 WeakPolarHBondContact CB-OD1 3.46Å; R364-D366 IonicContact CZ-OD1 2.68Å; R364-D366 IonicContact CZ-OD2 2.69Å; R364-D366 IonicContact NE-OD1 3.66Å; R364-D366 PolarHBondContact NE-OD1 2.82Å; R364-D366 IonicContact NE-OD2 3.81Å; R364-D366 PolarHBondContact NE-OD2 2.85Å; R364-D366 IonicContact NH2-OD1 2.66Å; R364-D366 PolarHBondContact NH2-OD1 3.27Å; R364-D366 IonicContact NH2-OD2 2.79Å; R364-D366 PolarHBondContact NH2-OD2 2.92Å
367L94.1Very high90.6Very high18 Ų1846.3 Ų46.39%0.09422%0.223CC..  trans-92.1136.1171.7-64.4174.4000108.8L331 F335 I337 F362 R364 L369L331-L367 HydrophobicContact CD1-CD2 3.97Å; F335-L367 HydrophobicContact CB-CD2 3.98Å; I337-L367 HydrophobicContact CD1-CD1 3.99Å; I337-L367 HydrophobicContact CD1-CD2 4.47Å; F362-L367 HydrophobicContact CB-CD1 4.15Å; F362-L367 HydrophobicContact CD1-CD1 3.42Å; F362-L367 VanDerWaalsContact CD1-CD1 3.42Å; F362-L367 HydrophobicContact CE1-CD1 3.96Å; F362-L367 HydrophobicContact CG-CD1 3.92Å; R364-L367 HydrophobicContact CB-CD1 4.08Å; R364-L367 HydrophobicContact CB-CG 3.99Å; L367-L369 HydrophobicContact CB-CD2 4.4Å; L367-L369 PolarHBondContact O-N 3Å
368N94.3Very high89.4Confident36 Ų3645.2 Ų45.219%0.19322%0.222CC..EExtended strand (participates in β ladder)trans-90.2103.7175.3-71.5-12.1000108.5G334 F335 H336 I337 V370 V506G334-N368 PolarHBondContact O-ND2 2.9Å; G334-N368 VanDerWaalsContact O-ND2 3.16Å; F335-N368 PolarHBondContact O-N 3.31Å; H336-N368 CarbonylContact C-O 3.51Å; H336-N368 VanDerWaalsContact CA-O 3.31Å; H336-N368 WeakPolarHBondContact CA-O 3.4Å; H336-N368 PolarHBondContact NE2-ND2 2.95Å; I337-N368 PolarHBondContact N-O 3.48Å; N368-V370 PolarHBondContact O-N 3.38Å; N368-V506 WeakPolarHBondContact ND2-CG2 3.49Å
369L96.8Very high88.3Confident10 Ų1045.2 Ų45.25%0.05222%0.223CC..EExtended strand (participates in β ladder)trans-86.4111.9179.4-57.3178.5000108.4I337 F358 R359 F362 L367 F397 V398I337-L369 HydrophobicContact CB-CD2 4.26Å; I337-L369 HydrophobicContact CD1-CD2 4.25Å; F358-L369 HydrophobicContact CD1-CD1 4.37Å; F358-L369 HydrophobicContact CE1-CD1 4.44Å; F358-L369 HydrophobicContact CE1-CD2 4.11Å; R359-L369 HydrophobicContact CB-CD1 3.64Å; R359-L369 HydrophobicContact CG-CD1 3.88Å; F362-L369 HydrophobicContact CD2-CD1 4.26Å; F362-L369 HydrophobicContact CD2-CD2 4.2Å; F362-L369 HydrophobicContact CE2-CD1 4.2Å; F362-L369 HydrophobicContact CE2-CD2 3.7Å; F362-L369 HydrophobicContact CZ-CD2 3.98Å; L367-L369 HydrophobicContact CB-CD2 4.4Å; L367-L369 PolarHBondContact O-N 3Å; L369-F397 HydrophobicContact CB-CD1 3.66Å; L369-F397 HydrophobicContact CB-CE1 3.6Å; L369-F397 HydrophobicContact CD1-CE1 3.75Å; L369-F397 HydrophobicContact CD1-CZ 4.03Å; L369-F397 HydrophobicContact CG-CE1 4.34Å; L369-V398 PolarHBondContact O-N 2.81Å
370V96.3Very high87.4Confident9 Ų948.3 Ų48.36%0.05524%0.244CC..EExtended strand (participates in β ladder)trans-101.7121.3-175.2-172.10000109H336 I337 G338 I339 N368 E372 V398 A400H336-V370 HydrophobicContact CB-CG2 4.19Å; I337-V370 PolarHBondContact O-N 2.98Å; G338-V370 WeakPolarHBondContact CA-O 3.45Å; I339-V370 PolarHBondContact N-O 3.37Å; N368-V370 PolarHBondContact O-N 3.38Å; V370-E372 HydrophobicContact CG1-CG 4.11Å; V370-V398 CarbonylContact C-O 3.41Å; V370-V398 WeakPolarHBondContact CA-O 3.4Å; V370-V398 HydrophobicContact CB-CB 4.46Å; V370-V398 HydrophobicContact CG1-CB 4.45Å; V370-V398 HydrophobicContact CG1-CG1 4.07Å; V370-V398 HydrophobicContact CG2-CB 4.08Å; V370-V398 HydrophobicContact CG2-CG1 4.08Å; V370-A400 HydrophobicContact CG1-CB 3.53Å
371L95.5Very high86.4Confident5 Ų546.7 Ų46.73%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-92.5104.8173.9-53-177.7000107.8F341 F351 L392 F397 V398 I399 A400F341-L371 HydrophobicContact CD2-CB 4.27Å; F341-L371 HydrophobicContact CD2-CD2 4.1Å; F341-L371 HydrophobicContact CE2-CB 4.38Å; F341-L371 HydrophobicContact CE2-CD2 3.4Å; F341-L371 VanDerWaalsContact CE2-CD2 3.4Å; F341-L371 HydrophobicContact CE2-CG 4.47Å; F341-L371 HydrophobicContact CZ-CD2 3.98Å; F351-L371 HydrophobicContact CZ-CD1 4.32Å; L371-L392 HydrophobicContact CD1-CB 4.23Å; L371-L392 HydrophobicContact CD1-CD1 3.62Å; L371-L392 HydrophobicContact CD1-CG 4.41Å; L371-F397 HydrophobicContact CD1-CB 4.02Å; L371-F397 HydrophobicContact CD1-CD1 3.91Å; L371-F397 HydrophobicContact CD1-CG 4.05Å; L371-F397 HydrophobicContact CD2-CD1 3.69Å; L371-F397 HydrophobicContact CD2-CE1 3.99Å; L371-F397 HydrophobicContact CG-CB 4.26Å; L371-F397 HydrophobicContact CG-CD1 3.74Å; L371-F397 HydrophobicContact CG-CG 4.3Å; L371-V398 PolarHBondContact N-O 2.95Å; L371-I399 HydrophobicContact CB-CD1 4.03Å; L371-I399 HydrophobicContact CD1-CD1 3.73Å; L371-I399 HydrophobicContact CG-CD1 4.19Å; L371-A400 PolarHBondContact O-N 3.26Å
372E94Very high85.8Confident10 Ų1047.7 Ų47.75%0.04724%0.238CC..EExtended strand (participates in β ladder)trans-90.8109.7-179.2-62.1179.5179.200109G338 I339 N340 F341 V370 A400 D402 K423G338-E372 WeakPolarHBondContact CA-OE1 3.47Å; I339-E372 PolarHBondContact O-N 3.06Å; N340-E372 CarbonylContact C-O 3.56Å; N340-E372 WeakPolarHBondContact CA-O 3.49Å; N340-E372 PolarHBondContact ND2-OE2 2.93Å; F341-E372 PolarHBondContact N-O 2.91Å; V370-E372 HydrophobicContact CG1-CG 4.11Å; E372-A400 WeakPolarHBondContact CA-O 3.34Å; E372-A400 HydrophobicContact CG-CB 4.12Å; E372-D402 HydrophobicContact CB-CB 4.36Å; E372-K423 VanDerWaalsContact CD-CE 3.42Å; E372-K423 VanDerWaalsContact CD-NZ 3.31Å; E372-K423 HydrophobicContact CG-CD 3.91Å; E372-K423 VanDerWaalsContact OE1-CE 3.26Å; E372-K423 WeakPolarHBondContact OE1-CE 3.33Å; E372-K423 IonicContact OE1-NZ 2.86Å; E372-K423 IonicContact OE2-NZ 3.8Å; E372-K423 PolarHBondContact OE2-NZ 3.48Å
373V89.9Confident85.2Confident10 Ų1054.4 Ų54.46%0.06127%0.269CS..EExtended strand (participates in β ladder)trans-85.6115.3-179.3-177.30000108.7I346 L379 I399 A400 L401 D402I346-V373 HydrophobicContact CD1-CB 4.25Å; I346-V373 HydrophobicContact CD1-CG1 3.71Å; I346-V373 HydrophobicContact CD1-CG2 3.83Å; V373-L379 HydrophobicContact CG1-CD2 4.01Å; V373-I399 HydrophobicContact CG2-CG2 4.25Å; V373-A400 PolarHBondContact N-O 3.29Å; V373-L401 HydrophobicContact CB-CD1 4.32Å; V373-D402 PolarHBondContact O-N 2.88Å
374T81Confident84.9Confident15 Ų1551.5 Ų51.59%0.09225%0.253CS..  trans-84.1142.4-177.968.60000112N340 F341 R376N340-T374 HydrophobicContact CB-CG2 4Å; N340-T374 WeakPolarHBondContact OD1-CG2 3.43Å; F341-T374 PolarHBondContact O-N 3.01Å; F341-T374 VanDerWaalsContact O-N 3.14Å; F341-T374 PolarHBondContact O-OG1 3.01Å; T374-R376 PolarHBondContact O-N 2.99Å
375E71.1Confident84.7Confident10 Ų1049.7 Ų49.75%0.04725%0.246CC..THydrogen-bonded Turntrans-86.76.7-177.5-48.4-166.8174.700115.7E377 L401 D402 F404 G407 Y408 S409E375-E377 VanDerWaalsContact C-N 3.26Å; E375-E377 PolarHBondContact O-N 2.77Å; E375-L401 HydrophobicContact CG-CD1 4.47Å; E375-D402 VanDerWaalsContact CG-O 3.32Å; E375-D402 WeakPolarHBondContact CG-O 3.37Å; E375-F404 WeakPolarHBondContact OE1-CA 3.49Å; E375-G407 WeakPolarHBondContact OE2-CA 3.26Å; E375-G407 PolarHBondContact OE2-N 3.38Å; E375-Y408 WeakPolarHBondContact O-CD2 3.09Å; E375-Y408 PolarHBondContact OE2-N 2.72Å; E375-S409 WeakPolarHBondContact CG-OG 3.47Å; E375-S409 WeakPolarHBondContact OE1-CB 3.41Å; E375-S409 PolarHBondContact OE1-OG 3.44Å; E375-S409 WeakPolarHBondContact OE2-CB 3.43Å; E375-S409 PolarHBondContact OE2-N 2.99Å; E375-S409 PolarHBondContact OE2-OG 2.93Å
376R69.3Low84.5Confident132 Ų13243.4 Ų43.450%0.49823%0.226SC..THydrogen-bonded Turntrans-68.5-26.5-173.9-67.3-175.3-178.7171.36113.5T374T374-R376 PolarHBondContact O-N 2.99Å
377E72Confident84.4Confident48 Ų4845.4 Ų45.422%0.22423%0.234CC..SBendtrans-116.2137.7174.5-66.1-177.1150.900109A343 S344 E375 L379A343-E377 HydrophobicContact CB-CB 3.76Å; S344-E377 VanDerWaalsContact CB-OE2 3.24Å; S344-E377 WeakPolarHBondContact CB-OE2 3.5Å; S344-E377 PolarHBondContact N-OE2 2.81Å; S344-E377 PolarHBondContact OG-OE2 2.79Å; E375-E377 VanDerWaalsContact C-N 3.26Å; E375-E377 PolarHBondContact O-N 2.77Å; E377-L379 PolarHBondContact O-N 2.92Å
378P71.7Confident84.3Confident87 Ų8746.8 Ų46.857%0.56524%0.238SC*.  trans-64126.8176.226.3-33.2000110.3Y408P378-Y408 HydrophobicContact CB-CG 4.39Å
379L74.7Confident84.1Confident12 Ų1245.4 Ų45.46%0.06323%0.23CC..  trans-91106.3177.1-168.768.8000108.8A343 V373 E377 V381 L385 Y413 L417A343-L379 HydrophobicContact CB-CD1 3.77Å; V373-L379 HydrophobicContact CG1-CD2 4.01Å; E377-L379 PolarHBondContact O-N 2.92Å; L379-V381 PolarHBondContact O-N 2.85Å; L379-V381 VanDerWaalsContact O-N 3.08Å; L379-L385 HydrophobicContact CD1-CD1 4.15Å; L379-L385 HydrophobicContact CD1-CD2 3.89Å; L379-L385 HydrophobicContact CD2-CD2 3.63Å; L379-L385 HydrophobicContact CG-CD2 3.51Å; L379-Y413 HydrophobicContact CB-CE2 4.48Å; L379-Y413 VanDerWaalsContact O-CE1 3.28Å; L379-Y413 WeakPolarHBondContact O-CE1 3.4Å; L379-Y413 PolarHBondContact O-OH 2.88Å; L379-L417 HydrophobicContact CD2-CD1 4.18Å
380N77.3Confident83.9Confident125 Ų12547.8 Ų47.867%0.66824%0.243SC*.  trans-72.5104.7173.6-172.835.1000109D382N380-D382 PolarHBondContact O-N 3.38Å
381V75.5Confident83.8Confident37 Ų3750.7 Ų50.722%0.22426%0.258CS..  trans-7598177.9-177.90000109.2L379 L385 V386 Y413 D416 L417L379-V381 PolarHBondContact O-N 2.85Å; L379-V381 VanDerWaalsContact O-N 3.08Å; V381-L385 HydrophobicContact CB-CD2 4.37Å; V381-L385 HydrophobicContact CG2-CD2 3.99Å; V381-V386 HydrophobicContact CG1-CG2 3.86Å; V381-Y413 HydrophobicContact CG2-CD1 3.34Å; V381-Y413 HydrophobicContact CG2-CE1 3.6Å; V381-Y413 HydrophobicContact CG2-CG 4.35Å; V381-D416 HydrophobicContact CG1-CB 4.01Å; V381-L417 HydrophobicContact CG1-CD2 4.08Å; V381-L417 HydrophobicContact CG2-CD1 4.33Å
382D83Confident83.7Confident69 Ų6950.5 Ų50.537%0.36926%0.257SS..  trans-110.9170.5169.267.627.5000110.8N380 S384 L385 V386N380-D382 PolarHBondContact O-N 3.38Å; D382-S384 PolarHBondContact O-N 3.08Å; D382-S384 VanDerWaalsContact O-N 3.17Å; D382-S384 WeakPolarHBondContact OD1-CA 3.1Å; D382-S384 VanDerWaalsContact OD1-CB 3.28Å; D382-S384 WeakPolarHBondContact OD1-CB 3.39Å; D382-S384 PolarHBondContact OD1-N 2.91Å; D382-S384 PolarHBondContact OD1-OG 3.45Å; D382-S384 PolarHBondContact OD2-OG 3.43Å; D382-L385 PolarHBondContact O-N 3.46Å; D382-L385 VanDerWaalsContact O-N 3.15Å; D382-L385 PolarHBondContact OD1-N 3.31Å; D382-V386 WeakPolarHBondContact O-CG2 3.22Å; D382-V386 PolarHBondContact O-N 2.92Å; D382-V386 VanDerWaalsContact O-N 3.16Å
383E85.2Confident83.6Confident146 Ų14652.7 Ų52.768%0.68227%0.267SS*.Hα-helixtrans-57.4-31.7179.5-165.7-176.9169.800112.1Q387E383-Q387 WeakPolarHBondContact O-CB 3.36Å; E383-Q387 WeakPolarHBondContact O-CG 3.47Å; E383-Q387 PolarHBondContact O-N 2.89Å; E383-Q387 PolarHBondContact OE1-NE2 3.12Å; E383-Q387 VanDerWaalsContact OE1-NE2 3.16Å
384S86.4Confident83.8Confident40 Ų4059.8 Ų59.828%0.2830%0.3SS..Hα-helixtrans-70.1-36-179.687.40000112.5D382 R388D382-S384 PolarHBondContact O-N 3.08Å; D382-S384 VanDerWaalsContact O-N 3.17Å; D382-S384 WeakPolarHBondContact OD1-CA 3.1Å; D382-S384 VanDerWaalsContact OD1-CB 3.28Å; D382-S384 WeakPolarHBondContact OD1-CB 3.39Å; D382-S384 PolarHBondContact OD1-N 2.91Å; D382-S384 PolarHBondContact OD1-OG 3.45Å; D382-S384 PolarHBondContact OD2-OG 3.43Å; S384-R388 WeakPolarHBondContact O-CB 3.33Å; S384-R388 VanDerWaalsContact O-CG 3.26Å; S384-R388 WeakPolarHBondContact O-CG 3.43Å; S384-R388 PolarHBondContact O-N 3.15Å; S384-R388 VanDerWaalsContact O-N 3.11Å; S384-R388 PolarHBondContact O-NE 3.35Å; S384-R388 PolarHBondContact OG-NH2 2.91Å
385L87.5Confident84.4Confident1 Ų161.7 Ų61.71%0.00531%0.309CS..Hα-helixtrans-69.4-48.5175.5174.569.7000110.5I346 L379 V381 D382 Q387 R388 L389 L417I346-L385 HydrophobicContact CG2-CD1 3.28Å; L379-L385 HydrophobicContact CD1-CD1 4.15Å; L379-L385 HydrophobicContact CD1-CD2 3.89Å; L379-L385 HydrophobicContact CD2-CD2 3.63Å; L379-L385 HydrophobicContact CG-CD2 3.51Å; V381-L385 HydrophobicContact CB-CD2 4.37Å; V381-L385 HydrophobicContact CG2-CD2 3.99Å; D382-L385 PolarHBondContact O-N 3.46Å; D382-L385 VanDerWaalsContact O-N 3.15Å; D382-L385 PolarHBondContact OD1-N 3.31Å; L385-Q387 VanDerWaalsContact C-N 3.29Å; L385-Q387 PolarHBondContact O-N 3.26Å; L385-R388 PolarHBondContact O-N 2.61Å; L385-R388 VanDerWaalsContact O-N 3.13Å; L385-L389 HydrophobicContact CD1-CD1 4.27Å; L385-L389 HydrophobicContact CD1-CG 4.29Å; L385-L389 HydrophobicContact CG-CD1 4.41Å; L385-L389 PolarHBondContact O-N 3.12Å; L385-L417 HydrophobicContact CD2-CD2 4.48Å
386V87.4Confident85.5Confident34 Ų3463.8 Ų63.821%0.20633%0.333CS..Hα-helixtrans-56.4-47.4178.41760000109.9V381 D382 R388 L389 N390 L417V381-V386 HydrophobicContact CG1-CG2 3.86Å; D382-V386 WeakPolarHBondContact O-CG2 3.22Å; D382-V386 PolarHBondContact O-N 2.92Å; D382-V386 VanDerWaalsContact O-N 3.16Å; V386-R388 PolarHBondContact O-N 3.3Å; V386-L389 PolarHBondContact O-N 2.8Å; V386-N390 WeakPolarHBondContact O-CB 3.41Å; V386-N390 PolarHBondContact O-N 3Å; V386-N390 PolarHBondContact O-ND2 2.9Å; V386-L417 HydrophobicContact CG2-CD2 3.86Å
387Q89.9Confident86.7Confident99 Ų9957.6 Ų57.646%0.46331%0.31SS..Hα-helixtrans-60-43.9176.5-74.6173.74.600112.3E383 L385 N390 I391E383-Q387 WeakPolarHBondContact O-CB 3.36Å; E383-Q387 WeakPolarHBondContact O-CG 3.47Å; E383-Q387 PolarHBondContact O-N 2.89Å; E383-Q387 PolarHBondContact OE1-NE2 3.12Å; E383-Q387 VanDerWaalsContact OE1-NE2 3.16Å; L385-Q387 VanDerWaalsContact C-N 3.29Å; L385-Q387 PolarHBondContact O-N 3.26Å; Q387-N390 PolarHBondContact O-N 3.16Å; Q387-I391 WeakPolarHBondContact O-CD1 3.27Å; Q387-I391 VanDerWaalsContact O-CG1 3.22Å; Q387-I391 WeakPolarHBondContact O-CG1 3.36Å; Q387-I391 PolarHBondContact O-N 2.71Å
388R91.7Very high87.8Confident48 Ų4856 Ų5618%0.18130%0.304CS..Hα-helixtrans-61.7-46178.5-79.3-177.8-102.1-157.5-2.2112.4I347 S348 V352 S384 L385 V386 I391 L392I347-R388 PolarHBondContact O-NH1 2.92Å; S348-R388 PolarHBondContact O-NH1 3.24Å; S348-R388 VanDerWaalsContact O-NH1 3.11Å; V352-R388 HydrophobicContact CG2-CB 3.86Å; V352-R388 HydrophobicContact CG2-CG 3.69Å; S384-R388 WeakPolarHBondContact O-CB 3.33Å; S384-R388 VanDerWaalsContact O-CG 3.26Å; S384-R388 WeakPolarHBondContact O-CG 3.43Å; S384-R388 PolarHBondContact O-N 3.15Å; S384-R388 VanDerWaalsContact O-N 3.11Å; S384-R388 PolarHBondContact O-NE 3.35Å; S384-R388 PolarHBondContact OG-NH2 2.91Å; L385-R388 PolarHBondContact O-N 2.61Å; L385-R388 VanDerWaalsContact O-N 3.13Å; V386-R388 PolarHBondContact O-N 3.3Å; R388-I391 PolarHBondContact O-N 2.9Å; R388-L392 WeakPolarHBondContact O-CG 3.44Å; R388-L392 PolarHBondContact O-N 3.05Å
389L90.6Very high88.8Confident6 Ų652 Ų523%0.03128%0.277CS..Hα-helixtrans-69.1-38.4178.8-64.3-175.4000111.8I346 F351 L385 V386 I391 L392 H393 I399 L417I346-L389 HydrophobicContact CG2-CD2 4.45Å; F351-L389 HydrophobicContact CE1-CD2 4.33Å; L385-L389 HydrophobicContact CD1-CD1 4.27Å; L385-L389 HydrophobicContact CD1-CG 4.29Å; L385-L389 HydrophobicContact CG-CD1 4.41Å; L385-L389 PolarHBondContact O-N 3.12Å; V386-L389 PolarHBondContact O-N 2.8Å; L389-I391 PolarHBondContact O-N 2.93Å; L389-L392 HydrophobicContact CD2-CD1 4.48Å; L389-L392 PolarHBondContact O-N 3.28Å; L389-L392 VanDerWaalsContact O-N 3.17Å; L389-H393 WeakPolarHBondContact O-CB 3.45Å; L389-H393 PolarHBondContact O-N 2.95Å; L389-I399 HydrophobicContact CD2-CD1 4.24Å; L389-L417 HydrophobicContact CD1-CD1 4.02Å; L389-L417 HydrophobicContact CD1-CD2 4.07Å; L389-L417 HydrophobicContact CD1-CG 4.49Å
390N91.2Very high89.6Confident61 Ų6151.5 Ų51.533%0.32628%0.275SS..Hα-helixtrans-61.6-43.1174.2-73-13.6000112V386 Q387 L392 H393 E394V386-N390 WeakPolarHBondContact O-CB 3.41Å; V386-N390 PolarHBondContact O-N 3Å; V386-N390 PolarHBondContact O-ND2 2.9Å; Q387-N390 PolarHBondContact O-N 3.16Å; N390-L392 VanDerWaalsContact C-N 3.27Å; N390-L392 PolarHBondContact O-N 3.44Å; N390-H393 PolarHBondContact O-N 2.77Å; N390-E394 WeakPolarHBondContact O-CB 3.34Å; N390-E394 WeakPolarHBondContact O-CG 3.5Å; N390-E394 PolarHBondContact O-N 3.38Å
391I94.3Very high90.2Very high70 Ų7045.8 Ų45.836%0.35924%0.244SC..Hα-helixtrans-58.7-42.1174.9-70162.5000110.6V352 Q387 R388 L389 N395V352-I391 HydrophobicContact CG1-CG2 3.76Å; Q387-I391 WeakPolarHBondContact O-CD1 3.27Å; Q387-I391 VanDerWaalsContact O-CG1 3.22Å; Q387-I391 WeakPolarHBondContact O-CG1 3.36Å; Q387-I391 PolarHBondContact O-N 2.71Å; R388-I391 PolarHBondContact O-N 2.9Å; L389-I391 PolarHBondContact O-N 2.93Å; I391-N395 WeakPolarHBondContact O-CB 3.41Å; I391-N395 PolarHBondContact O-N 2.88Å; I391-N395 VanDerWaalsContact O-N 3.15Å; I391-N395 PolarHBondContact O-ND2 3.39Å
392L94.9Very high90.8Very high0 Ų044.4 Ų44.40%024%0.236CC..Hα-helixtrans-68-41.5178.6-67.6171.2000111.4F351 V352 C355 L371 R388 L389 N390 N395 G396 F397F351-L392 HydrophobicContact CD1-CD1 4.07Å; F351-L392 HydrophobicContact CE1-CD1 3.4Å; F351-L392 HydrophobicContact CZ-CD1 3.95Å; V352-L392 HydrophobicContact CG1-CD2 4.16Å; V352-L392 HydrophobicContact CG2-CD1 4.48Å; V352-L392 HydrophobicContact CG2-CG 4.43Å; C355-L392 HydrophobicContact CB-CD1 4.39Å; C355-L392 HydrophobicContact CB-CD2 3.5Å; C355-L392 VanDerWaalsContact CB-CD2 3.5Å; L371-L392 HydrophobicContact CD1-CB 4.23Å; L371-L392 HydrophobicContact CD1-CD1 3.62Å; L371-L392 HydrophobicContact CD1-CG 4.41Å; R388-L392 WeakPolarHBondContact O-CG 3.44Å; R388-L392 PolarHBondContact O-N 3.05Å; L389-L392 HydrophobicContact CD2-CD1 4.48Å; L389-L392 PolarHBondContact O-N 3.28Å; L389-L392 VanDerWaalsContact O-N 3.17Å; N390-L392 VanDerWaalsContact C-N 3.27Å; N390-L392 PolarHBondContact O-N 3.44Å; L392-N395 CarbonylContact O-C 3.59Å; L392-N395 WeakPolarHBondContact O-CA 3.38Å; L392-N395 WeakPolarHBondContact O-CB 3.49Å; L392-N395 PolarHBondContact O-N 3.48Å; L392-G396 PolarHBondContact O-N 3.13Å; L392-F397 HydrophobicContact CB-CB 4.07Å; L392-F397 HydrophobicContact CB-CD2 4.05Å; L392-F397 HydrophobicContact CB-CG 4.27Å; L392-F397 HydrophobicContact CD2-CD2 3.85Å; L392-F397 HydrophobicContact CD2-CE2 3.97Å; L392-F397 WeakPolarHBondContact O-CB 3.15Å; L392-F397 WeakPolarHBondContact O-CD2 3.47Å; L392-F397 PolarHBondContact O-N 2.68Å
393H92Very high90.8Very high56 Ų5642.6 Ų42.626%0.25923%0.226SC..Hα-helixtrans-60.8-47175.4-165.2-115.4000112.1L389 N390 N395 G396 F397 H418 D420L389-H393 WeakPolarHBondContact O-CB 3.45Å; L389-H393 PolarHBondContact O-N 2.95Å; N390-H393 PolarHBondContact O-N 2.77Å; H393-N395 PolarHBondContact O-N 3.23Å; H393-N395 VanDerWaalsContact O-N 3.11Å; H393-G396 PolarHBondContact O-N 2.83Å; H393-F397 PolarHBondContact CD2-O 3.35Å; H393-H418 AromaticContact CD2-CD2 3.98Å; H393-H418 AromaticContact CE1-CD2 3.16Å; H393-H418 PolarHBondContact CE1-CD2 3.41Å; H393-H418 AromaticContact CE1-CE1 3.65Å; H393-H418 AromaticContact CE1-CG 3.74Å; H393-H418 AromaticContact CE1-ND1 3.99Å; H393-H418 AromaticContact CE1-NE2 3.12Å; H393-H418 PolarHBondContact CE1-NE2 3.24Å; H393-H418 AromaticContact ND1-CD2 3.88Å; H393-H418 AromaticContact NE2-CD2 3.23Å; H393-H418 PolarHBondContact NE2-CD2 2.95Å; H393-H418 AromaticContact NE2-NE2 3.47Å; H393-H418 PolarHBondContact NE2-NE2 2.94Å; H393-D420 IonicContact CD2-OD1 3.77Å; H393-D420 IonicContact CD2-OD2 3.5Å; H393-D420 PolarHBondContact CD2-OD2 3.34Å; H393-D420 IonicContact CE1-OD1 3.99Å; H393-D420 IonicContact NE2-OD1 2.75Å; H393-D420 PolarHBondContact NE2-OD1 3.27Å; H393-D420 IonicContact NE2-OD2 3.82Å
394E93.3Very high90.6Very high160 Ų16036.2 Ų36.275%0.74820%0.196SC*.Hα-helixtrans-58.4-25.2172.7-73.2175.6-176.300112.8N390N390-E394 WeakPolarHBondContact O-CB 3.34Å; N390-E394 WeakPolarHBondContact O-CG 3.5Å; N390-E394 PolarHBondContact O-N 3.38Å
395N94.1Very high90Very high55 Ų5536.4 Ų36.429%0.29420%0.204SC..THydrogen-bonded Turntrans-92.79.3177.4-85.3-85.2000114.1L356 R359 I391 L392 H393 F397L356-N395 HydrophobicContact CD2-CB 3.67Å; R359-N395 PolarHBondContact NH1-O 2.9Å; R359-N395 PolarHBondContact NH1-OD1 3.01Å; I391-N395 WeakPolarHBondContact O-CB 3.41Å; I391-N395 PolarHBondContact O-N 2.88Å; I391-N395 VanDerWaalsContact O-N 3.15Å; I391-N395 PolarHBondContact O-ND2 3.39Å; L392-N395 CarbonylContact O-C 3.59Å; L392-N395 WeakPolarHBondContact O-CA 3.38Å; L392-N395 WeakPolarHBondContact O-CB 3.49Å; L392-N395 PolarHBondContact O-N 3.48Å; H393-N395 PolarHBondContact O-N 3.23Å; H393-N395 VanDerWaalsContact O-N 3.11Å; N395-F397 HydrophobicContact CB-CD2 4.43Å
396G93Very high89.2Confident54 Ų5439.7 Ų39.756%0.55722%0.224SC*.THydrogen-bonded Turntrans87.412.4173.900000114.9L392 H393L392-G396 PolarHBondContact O-N 3.13Å; H393-G396 PolarHBondContact O-N 2.83Å
397F95.6Very high88.3Confident2 Ų240.2 Ų40.21%0.00924%0.236CC..PPolyproline II helixtrans-76.6145.1170-73.9-88.1000110.9C355 L356 R359 L369 L371 L392 H393 N395C355-F397 HydrophobicContact CB-CE1 4.31Å; C355-F397 HydrophobicContact CB-CE2 4.22Å; C355-F397 HydrophobicContact CB-CZ 3.88Å; C355-F397 VanDerWaalsContact O-CZ 3.23Å; C355-F397 WeakPolarHBondContact O-CZ 3.06Å; L356-F397 HydrophobicContact CD2-CE2 4.35Å; R359-F397 HydrophobicContact CB-CE2 4.11Å; R359-F397 HydrophobicContact CB-CZ 3.72Å; L369-F397 HydrophobicContact CB-CD1 3.66Å; L369-F397 HydrophobicContact CB-CE1 3.6Å; L369-F397 HydrophobicContact CD1-CE1 3.75Å; L369-F397 HydrophobicContact CD1-CZ 4.03Å; L369-F397 HydrophobicContact CG-CE1 4.34Å; L371-F397 HydrophobicContact CD1-CB 4.02Å; L371-F397 HydrophobicContact CD1-CD1 3.91Å; L371-F397 HydrophobicContact CD1-CG 4.05Å; L371-F397 HydrophobicContact CD2-CD1 3.69Å; L371-F397 HydrophobicContact CD2-CE1 3.99Å; L371-F397 HydrophobicContact CG-CB 4.26Å; L371-F397 HydrophobicContact CG-CD1 3.74Å; L371-F397 HydrophobicContact CG-CG 4.3Å; L392-F397 HydrophobicContact CB-CB 4.07Å; L392-F397 HydrophobicContact CB-CD2 4.05Å; L392-F397 HydrophobicContact CB-CG 4.27Å; L392-F397 HydrophobicContact CD2-CD2 3.85Å; L392-F397 HydrophobicContact CD2-CE2 3.97Å; L392-F397 WeakPolarHBondContact O-CB 3.15Å; L392-F397 WeakPolarHBondContact O-CD2 3.47Å; L392-F397 PolarHBondContact O-N 2.68Å; H393-F397 PolarHBondContact CD2-O 3.35Å; N395-F397 HydrophobicContact CB-CD2 4.43Å
398V94.6Very high87Confident15 Ų1542.6 Ų42.69%0.09124%0.242CC..EExtended strand (participates in β ladder)trans-100.1133173.1172.70000107.7L369 V370 L371 D420 Y421L369-V398 PolarHBondContact O-N 2.81Å; V370-V398 CarbonylContact C-O 3.41Å; V370-V398 WeakPolarHBondContact CA-O 3.4Å; V370-V398 HydrophobicContact CB-CB 4.46Å; V370-V398 HydrophobicContact CG1-CB 4.45Å; V370-V398 HydrophobicContact CG1-CG1 4.07Å; V370-V398 HydrophobicContact CG2-CB 4.08Å; V370-V398 HydrophobicContact CG2-CG1 4.08Å; L371-V398 PolarHBondContact N-O 2.95Å; V398-D420 WeakPolarHBondContact CA-OD2 3.34Å; V398-D420 HydrophobicContact CG1-CB 3.77Å; V398-Y421 HydrophobicContact CG1-CD2 3.23Å; V398-Y421 HydrophobicContact CG1-CE2 3.31Å
399I93.1Very high85.4Confident2 Ų241.1 Ų41.11%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-103.3123.6178.6-47.9-55.4000109.2L371 V373 L389 I419 D420 Y421L371-I399 HydrophobicContact CB-CD1 4.03Å; L371-I399 HydrophobicContact CD1-CD1 3.73Å; L371-I399 HydrophobicContact CG-CD1 4.19Å; V373-I399 HydrophobicContact CG2-CG2 4.25Å; L389-I399 HydrophobicContact CD2-CD1 4.24Å; I399-I419 HydrophobicContact CB-CD1 4.43Å; I399-I419 HydrophobicContact CG2-CD1 3.63Å; I399-D420 PolarHBondContact N-OD2 3.09Å; I399-D420 PolarHBondContact O-N 3.39Å; I399-Y421 PolarHBondContact O-N 2.89Å; I399-Y421 VanDerWaalsContact O-N 3.11Å
400A91.9Very high83.9Confident1 Ų142.3 Ų42.31%0.00825%0.253CS..EExtended strand (participates in β ladder)trans-118.4143.417600000110.6V370 L371 E372 V373 Y421 K423V370-A400 HydrophobicContact CG1-CB 3.53Å; L371-A400 PolarHBondContact O-N 3.26Å; E372-A400 WeakPolarHBondContact CA-O 3.34Å; E372-A400 HydrophobicContact CG-CB 4.12Å; V373-A400 PolarHBondContact N-O 3.29Å; A400-Y421 CarbonylContact C-O 3.54Å; A400-Y421 VanDerWaalsContact CA-O 3.25Å; A400-Y421 WeakPolarHBondContact CA-O 3.47Å; A400-K423 HydrophobicContact CB-CD 4.45Å
401L89.1Confident82.7Confident6 Ų644.9 Ų44.93%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-97.1117.8169.6-167.759000109.2V373 E375 F404 S409 L414 I419 Y421 K423V373-L401 HydrophobicContact CB-CD1 4.32Å; E375-L401 HydrophobicContact CG-CD1 4.47Å; L401-F404 HydrophobicContact CD2-CD2 3.57Å; L401-F404 HydrophobicContact CD2-CE2 4.03Å; L401-F404 HydrophobicContact CG-CD2 4.32Å; L401-S409 WeakPolarHBondContact CD1-OG 3.44Å; L401-L414 HydrophobicContact CD2-CD2 4.02Å; L401-I419 HydrophobicContact CB-CG2 4.31Å; L401-Y421 PolarHBondContact N-O 2.64Å; L401-K423 PolarHBondContact O-N 2.94Å
402D88.3Confident81.4Confident7 Ų744.8 Ų44.84%0.03727%0.272CS..  trans-85.6155.4-178.2-165.537.1000111.8N340 E372 V373 E375 F404 K423N340-D402 PolarHBondContact OD1-OD2 3.16Å; E372-D402 HydrophobicContact CB-CB 4.36Å; V373-D402 PolarHBondContact O-N 2.88Å; E375-D402 VanDerWaalsContact CG-O 3.32Å; E375-D402 WeakPolarHBondContact CG-O 3.37Å; D402-F404 PolarHBondContact O-N 3.26Å; D402-F404 VanDerWaalsContact O-N 3.15Å; D402-K423 HydrophobicContact CB-CD 4.32Å; D402-K423 WeakPolarHBondContact OD1-CD 3.4Å; D402-K423 IonicContact OD1-NZ 2.61Å; D402-K423 PolarHBondContact OD1-NZ 3.26Å
403D82.1Confident80.2Confident31 Ų3146.4 Ų46.417%0.16628%0.278CS..SBendtrans53.732.5175.1-79.6-25.2000115.4G405 T406D403-G405 PolarHBondContact O-N 3.08Å; D403-T406 PolarHBondContact O-N 2.86Å; D403-T406 PolarHBondContact O-OG1 2.8Å
404F81.8Confident79.4Confident13 Ų1344.4 Ų44.46%0.05727%0.269CS..THydrogen-bonded Turntrans-56.1126.3-168-178.3-104000114E375 L401 D402 L414 I422 K423 F428 V445 L448E375-F404 WeakPolarHBondContact OE1-CA 3.49Å; L401-F404 HydrophobicContact CD2-CD2 3.57Å; L401-F404 HydrophobicContact CD2-CE2 4.03Å; L401-F404 HydrophobicContact CG-CD2 4.32Å; D402-F404 PolarHBondContact O-N 3.26Å; D402-F404 VanDerWaalsContact O-N 3.15Å; F404-L414 HydrophobicContact CE2-CD1 3.86Å; F404-L414 HydrophobicContact CE2-CG 4.39Å; F404-L414 HydrophobicContact CZ-CD1 3.9Å; F404-I422 HydrophobicContact CB-CG2 3.45Å; F404-I422 VanDerWaalsContact CB-CG2 3.45Å; F404-I422 HydrophobicContact CD1-CG2 3.64Å; F404-I422 HydrophobicContact CD2-CG1 4.48Å; F404-I422 HydrophobicContact CD2-CG2 4.23Å; F404-I422 HydrophobicContact CE1-CG2 4.45Å; F404-I422 HydrophobicContact CE2-CD1 4.44Å; F404-I422 HydrophobicContact CG-CG2 3.5Å; F404-I422 VanDerWaalsContact CG-CG2 3.5Å; F404-I422 HydrophobicContact CZ-CD1 4.45Å; F404-K423 WeakPolarHBondContact CB-O 3.4Å; F404-K423 PolarHBondContact N-O 3.42Å; F404-F428 WeakPolarHBondContact O-CE2 3.34Å; F404-V445 HydrophobicContact CD1-CG1 3.84Å; F404-V445 HydrophobicContact CE1-CG1 3.88Å; F404-V445 HydrophobicContact CE1-CG2 4.28Å; F404-L448 HydrophobicContact CE1-CD2 4.21Å; F404-L448 HydrophobicContact CZ-CD2 3.89Å
405G74.1Confident78.4Confident43 Ų4344.3 Ų44.344%0.44327%0.268SS..THydrogen-bonded Turntrans89.80.8176.300000114.9D403D403-G405 PolarHBondContact O-N 3.08Å
406T70.2Confident77.7Confident71 Ų7145.7 Ų45.744%0.43628%0.275SS..SBendtrans-101.3-17.1175.969.10000113.8D403 D425 F428D403-T406 PolarHBondContact O-N 2.86Å; D403-T406 PolarHBondContact O-OG1 2.8Å; T406-D425 HydrophobicContact CG2-CB 3.94Å; T406-F428 HydrophobicContact CG2-CE2 3.85Å
407G68Low77.2Confident44 Ų4443.7 Ų43.745%0.45425%0.252SS..SBendtrans-125.7-144.2-173.100000114.5E375 S409E375-G407 WeakPolarHBondContact OE2-CA 3.26Å; E375-G407 PolarHBondContact OE2-N 3.38Å; G407-S409 VanDerWaalsContact C-N 3.32Å; G407-S409 PolarHBondContact O-N 3.17Å
408Y62.3Low76.7Confident150 Ų15048.8 Ų48.859%0.58828%0.276SS*.SBendtrans-82.1-1.6-174.2-70.2-76.7000114.2E375 P378 G410 Y413E375-Y408 WeakPolarHBondContact O-CD2 3.09Å; E375-Y408 PolarHBondContact OE2-N 2.72Å; P378-Y408 HydrophobicContact CB-CG 4.39Å; Y408-G410 VanDerWaalsContact C-N 3.33Å; Y408-G410 PolarHBondContact O-N 3.43Å; Y408-Y413 WeakPolarHBondContact O-CE2 3.33Å
409S59.1Low76.4Confident16 Ų1648.8 Ų48.811%0.11228%0.275CS..  trans-7093.9178.5-60.60000112.2E375 L401 G407 Y413E375-S409 WeakPolarHBondContact CG-OG 3.47Å; E375-S409 WeakPolarHBondContact OE1-CB 3.41Å; E375-S409 PolarHBondContact OE1-OG 3.44Å; E375-S409 WeakPolarHBondContact OE2-CB 3.43Å; E375-S409 PolarHBondContact OE2-N 2.99Å; E375-S409 PolarHBondContact OE2-OG 2.93Å; L401-S409 WeakPolarHBondContact CD1-OG 3.44Å; G407-S409 VanDerWaalsContact C-N 3.32Å; G407-S409 PolarHBondContact O-N 3.17Å; S409-Y413 VanDerWaalsContact CA-CE2 3.46Å
410G59.9Low76.3Confident31 Ų3150.3 Ų50.332%0.3228%0.283SS..  trans-66.1154.4161.300000110.4Y408 S412 Y413Y408-G410 VanDerWaalsContact C-N 3.33Å; Y408-G410 PolarHBondContact O-N 3.43Å; G410-S412 PolarHBondContact O-N 3.26Å; G410-Y413 PolarHBondContact O-N 2.98Å
411L65.7Low76.2Confident116 Ų11650.3 Ų50.361%0.60728%0.283SS*.Hα-helixtrans-48.6-20.1165.6-74.9158.7000113.4Y413 L414 L448L411-Y413 PolarHBondContact O-N 3.43Å; L411-L414 HydrophobicContact CD2-CD1 4.44Å; L411-L414 PolarHBondContact O-N 2.92Å; L411-L448 HydrophobicContact CD2-CD1 3.68Å; L411-L448 HydrophobicContact CD2-CD2 3.43Å; L411-L448 VanDerWaalsContact CD2-CD2 3.43Å; L411-L448 HydrophobicContact CD2-CG 4.18Å
412S66.6Low76.3Confident68 Ų6850.1 Ų50.148%0.47628%0.282SS..Hα-helixtrans-59.9-39.4175.450.40000113.2G410 L414 H415 D416G410-S412 PolarHBondContact O-N 3.26Å; S412-L414 VanDerWaalsContact C-N 3.32Å; S412-L414 PolarHBondContact O-N 3.07Å; S412-H415 PolarHBondContact O-N 3.38Å; S412-D416 PolarHBondContact O-N 3.29Å
413Y70.2Confident76.5Confident33 Ų3350 Ų5013%0.12928%0.281CS..Hα-helixtrans-66-37.3-178.3-60.3-25.8000112L379 V381 Y408 S409 G410 L411 H415 D416 L417L379-Y413 HydrophobicContact CB-CE2 4.48Å; L379-Y413 VanDerWaalsContact O-CE1 3.28Å; L379-Y413 WeakPolarHBondContact O-CE1 3.4Å; L379-Y413 PolarHBondContact O-OH 2.88Å; V381-Y413 HydrophobicContact CG2-CD1 3.34Å; V381-Y413 HydrophobicContact CG2-CE1 3.6Å; V381-Y413 HydrophobicContact CG2-CG 4.35Å; Y408-Y413 WeakPolarHBondContact O-CE2 3.33Å; S409-Y413 VanDerWaalsContact CA-CE2 3.46Å; G410-Y413 PolarHBondContact O-N 2.98Å; L411-Y413 PolarHBondContact O-N 3.43Å; Y413-H415 PolarHBondContact O-N 3.25Å; Y413-D416 PolarHBondContact O-N 3.48Å; Y413-L417 VanDerWaalsContact O-CB 3.3Å; Y413-L417 WeakPolarHBondContact O-CB 3.4Å; Y413-L417 WeakPolarHBondContact O-CG 3.39Å; Y413-L417 PolarHBondContact O-N 2.84Å
414L74.3Confident76.8Confident14 Ų1448.5 Ų48.57%0.07327%0.273CS..Hα-helixtrans-65.9-25.4179.7-62-180000113L401 F404 L411 S412 I419 I422 L448 L452 I454L401-L414 HydrophobicContact CD2-CD2 4.02Å; F404-L414 HydrophobicContact CE2-CD1 3.86Å; F404-L414 HydrophobicContact CE2-CG 4.39Å; F404-L414 HydrophobicContact CZ-CD1 3.9Å; L411-L414 HydrophobicContact CD2-CD1 4.44Å; L411-L414 PolarHBondContact O-N 2.92Å; S412-L414 VanDerWaalsContact C-N 3.32Å; S412-L414 PolarHBondContact O-N 3.07Å; L414-I419 HydrophobicContact CD2-CB 4.28Å; L414-I419 HydrophobicContact CD2-CG1 4.13Å; L414-I419 HydrophobicContact CD2-CG2 4.29Å; L414-I422 HydrophobicContact CD1-CD1 3.98Å; L414-I422 HydrophobicContact CD2-CD1 3.81Å; L414-I422 HydrophobicContact CD2-CG1 4.16Å; L414-L448 HydrophobicContact CD1-CD2 4.14Å; L414-L452 HydrophobicContact CB-CD1 4.01Å; L414-L452 HydrophobicContact CD1-CD1 3.73Å; L414-L452 HydrophobicContact CG-CD1 4.49Å; L414-I454 HydrophobicContact CD2-CD1 3.96Å
415H72.9Confident77.1Confident159 Ų15948.9 Ų48.974%0.73628%0.276SS*.Hα-helixtrans-80.7-41178.7178.9-85.5000111.8S412 Y413S412-H415 PolarHBondContact O-N 3.38Å; Y413-H415 PolarHBondContact O-N 3.25Å
416D78.3Confident77.7Confident83 Ų8351.6 Ų51.644%0.44428%0.277SS..Hα-helixtrans-91.9-23.3-171-62.6-22.2000113.3V381 S412 Y413V381-D416 HydrophobicContact CG1-CB 4.01Å; S412-D416 PolarHBondContact O-N 3.29Å; Y413-D416 PolarHBondContact O-N 3.48Å
417L82Confident78.4Confident13 Ų1350 Ų507%0.06827%0.268CS..SBendtrans-106.5138.4-179.7-54.4-178.7000110.5L379 V381 L385 V386 L389 Y413 I419L379-L417 HydrophobicContact CD2-CD1 4.18Å; V381-L417 HydrophobicContact CG1-CD2 4.08Å; V381-L417 HydrophobicContact CG2-CD1 4.33Å; L385-L417 HydrophobicContact CD2-CD2 4.48Å; V386-L417 HydrophobicContact CG2-CD2 3.86Å; L389-L417 HydrophobicContact CD1-CD1 4.02Å; L389-L417 HydrophobicContact CD1-CD2 4.07Å; L389-L417 HydrophobicContact CD1-CG 4.49Å; Y413-L417 VanDerWaalsContact O-CB 3.3Å; Y413-L417 WeakPolarHBondContact O-CB 3.4Å; Y413-L417 WeakPolarHBondContact O-CG 3.39Å; Y413-L417 PolarHBondContact O-N 2.84Å; L417-I419 VanDerWaalsContact C-N 3.27Å; L417-I419 HydrophobicContact CB-CD1 3.79Å; L417-I419 HydrophobicContact CB-CG1 3.98Å; L417-I419 HydrophobicContact CD1-CD1 4.37Å; L417-I419 PolarHBondContact O-N 3.44Å
418H85.5Confident79.3Confident108 Ų10848.7 Ų48.750%0.525%0.25SS..  trans-73.882.7171.3-161111.6000109.7H393 D420H393-H418 AromaticContact CD2-CD2 3.98Å; H393-H418 AromaticContact CE1-CD2 3.16Å; H393-H418 PolarHBondContact CE1-CD2 3.41Å; H393-H418 AromaticContact CE1-CE1 3.65Å; H393-H418 AromaticContact CE1-CG 3.74Å; H393-H418 AromaticContact CE1-ND1 3.99Å; H393-H418 AromaticContact CE1-NE2 3.12Å; H393-H418 PolarHBondContact CE1-NE2 3.24Å; H393-H418 AromaticContact ND1-CD2 3.88Å; H393-H418 AromaticContact NE2-CD2 3.23Å; H393-H418 PolarHBondContact NE2-CD2 2.95Å; H393-H418 AromaticContact NE2-NE2 3.47Å; H393-H418 PolarHBondContact NE2-NE2 2.94Å; H418-D420 IonicContact CD2-OD1 2.89Å; H418-D420 IonicContact NE2-OD1 3.79Å
419I88.9Confident80.5Confident15 Ų1541.6 Ų41.68%0.07722%0.222CC..  trans-89121.6178.3-57-57.4000109.3I399 L401 L414 L417 Y421 I422 I454I399-I419 HydrophobicContact CB-CD1 4.43Å; I399-I419 HydrophobicContact CG2-CD1 3.63Å; L401-I419 HydrophobicContact CB-CG2 4.31Å; L414-I419 HydrophobicContact CD2-CB 4.28Å; L414-I419 HydrophobicContact CD2-CG1 4.13Å; L414-I419 HydrophobicContact CD2-CG2 4.29Å; L417-I419 VanDerWaalsContact C-N 3.27Å; L417-I419 HydrophobicContact CB-CD1 3.79Å; L417-I419 HydrophobicContact CB-CG1 3.98Å; L417-I419 HydrophobicContact CD1-CD1 4.37Å; L417-I419 PolarHBondContact O-N 3.44Å; I419-Y421 WeakPolarHBondContact CG2-O 3.38Å; I419-I422 HydrophobicContact CG2-CG1 4.48Å; I419-I454 HydrophobicContact CG2-CG2 4.36Å
420D91.5Very high81.8Confident34 Ų3442.9 Ų42.918%0.18224%0.238CC..  trans-87.2-34.3178.6-53.6-77.2000111.5H393 V398 I399 H418 S455H393-D420 IonicContact CD2-OD1 3.77Å; H393-D420 IonicContact CD2-OD2 3.5Å; H393-D420 PolarHBondContact CD2-OD2 3.34Å; H393-D420 IonicContact CE1-OD1 3.99Å; H393-D420 IonicContact NE2-OD1 2.75Å; H393-D420 PolarHBondContact NE2-OD1 3.27Å; H393-D420 IonicContact NE2-OD2 3.82Å; V398-D420 WeakPolarHBondContact CA-OD2 3.34Å; V398-D420 HydrophobicContact CG1-CB 3.77Å; I399-D420 PolarHBondContact N-OD2 3.09Å; I399-D420 PolarHBondContact O-N 3.39Å; H418-D420 IonicContact CD2-OD1 2.89Å; H418-D420 IonicContact NE2-OD1 3.79Å; D420-S455 PolarHBondContact O-N 3.18Å
421Y90.1Very high83Confident2 Ų246.8 Ų46.81%0.00824%0.243CC..EExtended strand (participates in β ladder)trans-131.9144.8-177.7-69.4-90.9000114.1H336 V398 I399 A400 L401 I419 S455 V457 F477 V506H336-Y421 AromaticContact CE1-CZ 3.91Å; H336-Y421 PolarHBondContact CE1-OH 3.1Å; H336-Y421 VanDerWaalsContact CE1-OH 3.28Å; V398-Y421 HydrophobicContact CG1-CD2 3.23Å; V398-Y421 HydrophobicContact CG1-CE2 3.31Å; I399-Y421 PolarHBondContact O-N 2.89Å; I399-Y421 VanDerWaalsContact O-N 3.11Å; A400-Y421 CarbonylContact C-O 3.54Å; A400-Y421 VanDerWaalsContact CA-O 3.25Å; A400-Y421 WeakPolarHBondContact CA-O 3.47Å; L401-Y421 PolarHBondContact N-O 2.64Å; I419-Y421 WeakPolarHBondContact CG2-O 3.38Å; Y421-S455 CarbonylContact C-O 3.52Å; Y421-S455 VanDerWaalsContact CA-O 3.24Å; Y421-S455 WeakPolarHBondContact CA-O 3.47Å; Y421-V457 HydrophobicContact CD1-CG2 3.92Å; Y421-F477 HydrophobicContact CE1-CD2 4.07Å; Y421-F477 HydrophobicContact CE1-CE2 4.03Å; Y421-V506 HydrophobicContact CE2-CG1 4.23Å; Y421-V506 VanDerWaalsContact OH-CG1 3.28Å; Y421-V506 WeakPolarHBondContact OH-CG1 3.41Å; Y421-V506 WeakPolarHBondContact OH-CG2 3.42Å
422I90.7Very high83.9Confident1 Ų141.9 Ų41.91%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-113.2126.9162.8-75.9162.8000108.6F404 L414 I419 I424 I454 S455 I456 V457F404-I422 HydrophobicContact CB-CG2 3.45Å; F404-I422 VanDerWaalsContact CB-CG2 3.45Å; F404-I422 HydrophobicContact CD1-CG2 3.64Å; F404-I422 HydrophobicContact CD2-CG1 4.48Å; F404-I422 HydrophobicContact CD2-CG2 4.23Å; F404-I422 HydrophobicContact CE1-CG2 4.45Å; F404-I422 HydrophobicContact CE2-CD1 4.44Å; F404-I422 HydrophobicContact CG-CG2 3.5Å; F404-I422 VanDerWaalsContact CG-CG2 3.5Å; F404-I422 HydrophobicContact CZ-CD1 4.45Å; L414-I422 HydrophobicContact CD1-CD1 3.98Å; L414-I422 HydrophobicContact CD2-CD1 3.81Å; L414-I422 HydrophobicContact CD2-CG1 4.16Å; I419-I422 HydrophobicContact CG2-CG1 4.48Å; I422-I424 HydrophobicContact CG2-CG1 4.36Å; I422-I454 HydrophobicContact CB-CG2 4.27Å; I422-I454 HydrophobicContact CD1-CB 4.33Å; I422-I454 HydrophobicContact CD1-CD1 3.97Å; I422-I454 HydrophobicContact CD1-CG2 3.84Å; I422-I454 HydrophobicContact CG1-CG2 3.82Å; I422-S455 PolarHBondContact N-O 2.82Å; I422-I456 WeakPolarHBondContact O-CA 3.3Å; I422-V457 PolarHBondContact O-N 3.41Å
423K91.5Very high84.4Confident4 Ų442.7 Ų42.72%0.01722%0.217CC..EExtended strand (participates in β ladder)trans-93117.8171.6-54.4173.976.6-135.60108.3E281 E372 A400 L401 D402 F404 V457 E459E281-K423 IonicContact OE1-NZ 3.91Å; E281-K423 PolarHBondContact OE1-NZ 3.33Å; E281-K423 IonicContact OE2-NZ 2.73Å; E372-K423 VanDerWaalsContact CD-CE 3.42Å; E372-K423 VanDerWaalsContact CD-NZ 3.31Å; E372-K423 HydrophobicContact CG-CD 3.91Å; E372-K423 VanDerWaalsContact OE1-CE 3.26Å; E372-K423 WeakPolarHBondContact OE1-CE 3.33Å; E372-K423 IonicContact OE1-NZ 2.86Å; E372-K423 IonicContact OE2-NZ 3.8Å; E372-K423 PolarHBondContact OE2-NZ 3.48Å; A400-K423 HydrophobicContact CB-CD 4.45Å; L401-K423 PolarHBondContact O-N 2.94Å; D402-K423 HydrophobicContact CB-CD 4.32Å; D402-K423 WeakPolarHBondContact OD1-CD 3.4Å; D402-K423 IonicContact OD1-NZ 2.61Å; D402-K423 PolarHBondContact OD1-NZ 3.26Å; F404-K423 WeakPolarHBondContact CB-O 3.4Å; F404-K423 PolarHBondContact N-O 3.42Å; K423-V457 CarbonylContact C-O 3.6Å; K423-V457 VanDerWaalsContact CA-O 3.31Å; K423-V457 WeakPolarHBondContact CA-O 3.45Å; K423-V457 HydrophobicContact CG-CB 4.14Å; K423-V457 HydrophobicContact CG-CG2 4.49Å; K423-E459 HydrophobicContact CB-CG 4.42Å; K423-E459 WeakPolarHBondContact CE-OE1 3.16Å; K423-E459 IonicContact NZ-OE1 3.72Å; K423-E459 PolarHBondContact NZ-OE1 3.14Å
424I89.2Confident84.1Confident1 Ų146.2 Ų46.21%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-87.6113.9179.4-60.8179000108.2I422 F428 V429 L442 V445 L446 I456 V457 E459I422-I424 HydrophobicContact CG2-CG1 4.36Å; I424-F428 HydrophobicContact CG2-CB 3.76Å; I424-F428 HydrophobicContact CG2-CD2 4.3Å; I424-F428 HydrophobicContact CG2-CG 4.38Å; I424-V429 HydrophobicContact CG2-CG2 4.08Å; I424-L442 HydrophobicContact CD1-CD1 3.78Å; I424-L442 HydrophobicContact CG2-CD1 3.79Å; I424-V445 HydrophobicContact CD1-CG1 3.96Å; I424-V445 HydrophobicContact CG1-CG1 4.13Å; I424-L446 HydrophobicContact CD1-CD2 3.55Å; I424-I456 HydrophobicContact CD1-CD1 4.47Å; I424-I456 HydrophobicContact CD1-CG2 3.42Å; I424-I456 VanDerWaalsContact CD1-CG2 3.42Å; I424-I456 HydrophobicContact CG1-CG2 3.83Å; I424-V457 PolarHBondContact N-O 2.76Å; I424-E459 VanDerWaalsContact O-CB 3.29Å; I424-E459 WeakPolarHBondContact O-CB 3.32Å; I424-E459 PolarHBondContact O-N 3.34Å
425D87.6Confident84Confident20 Ų2049.4 Ų49.411%0.10727%0.271CS..  trans-58.7151.9179.916953.5000112.5T406 S427 F428 V429T406-D425 HydrophobicContact CG2-CB 3.94Å; D425-S427 PolarHBondContact O-N 3.44Å; D425-S427 WeakPolarHBondContact OD2-CA 3.5Å; D425-S427 WeakPolarHBondContact OD2-CB 3.33Å; D425-S427 PolarHBondContact OD2-N 2.68Å; D425-S427 PolarHBondContact OD2-OG 3.09Å; D425-F428 HydrophobicContact CB-CD2 4.48Å; D425-F428 PolarHBondContact O-N 2.87Å; D425-V429 PolarHBondContact O-N 2.91Å
426H87Confident83.9Confident101 Ų10146.4 Ų46.447%0.46827%0.265SS..Hα-helixtrans-55.2-25.9177.991.4-65.6000113.4F428 V429 G430H426-F428 PolarHBondContact O-N 3.38Å; H426-V429 PolarHBondContact O-N 2.83Å; H426-G430 WeakPolarHBondContact O-CA 3.31Å; H426-G430 PolarHBondContact O-N 2.94Å
427S85.3Confident83.5Confident36 Ų3648.1 Ų48.125%0.25227%0.27SS..Hα-helixtrans-69.3-21.3-179.170.50000113D425 R431D425-S427 PolarHBondContact O-N 3.44Å; D425-S427 WeakPolarHBondContact OD2-CA 3.5Å; D425-S427 WeakPolarHBondContact OD2-CB 3.33Å; D425-S427 PolarHBondContact OD2-N 2.68Å; D425-S427 PolarHBondContact OD2-OG 3.09Å; S427-R431 WeakPolarHBondContact O-CG 3.42Å; S427-R431 PolarHBondContact O-NE 2.92Å; S427-R431 VanDerWaalsContact O-NE 3.1Å
428F86.1Confident83.1Confident18 Ų1849.3 Ų49.38%0.07928%0.28CS..Hα-helixtrans-86.2-46.6170.6-64.7-75.6000111.1F404 T406 I424 D425 H426 G430 R431 I441 L442F404-F428 WeakPolarHBondContact O-CE2 3.34Å; T406-F428 HydrophobicContact CG2-CE2 3.85Å; I424-F428 HydrophobicContact CG2-CB 3.76Å; I424-F428 HydrophobicContact CG2-CD2 4.3Å; I424-F428 HydrophobicContact CG2-CG 4.38Å; D425-F428 HydrophobicContact CB-CD2 4.48Å; D425-F428 PolarHBondContact O-N 2.87Å; H426-F428 PolarHBondContact O-N 3.38Å; F428-G430 VanDerWaalsContact C-N 3.28Å; F428-G430 PolarHBondContact O-N 3.48Å; F428-R431 WeakPolarHBondContact O-CB 3.32Å; F428-R431 PolarHBondContact O-N 3.14Å; F428-R431 VanDerWaalsContact O-N 3.13Å; F428-I441 HydrophobicContact CD1-CG2 3.91Å; F428-I441 HydrophobicContact CE1-CG2 3.59Å; F428-L442 HydrophobicContact CB-CD1 4.38Å
429V88.2Confident82.8Confident0 Ų044.8 Ų44.80%026%0.26CS..Hα-helixtrans-62.4-37.7178.31780000111.5I424 D425 H426 R431 V432 A458 E459 V461 Q466 L470I424-V429 HydrophobicContact CG2-CG2 4.08Å; D425-V429 PolarHBondContact O-N 2.91Å; H426-V429 PolarHBondContact O-N 2.83Å; V429-R431 PolarHBondContact O-N 2.81Å; V429-R431 VanDerWaalsContact O-N 3.15Å; V429-V432 WeakPolarHBondContact O-CB 3.5Å; V429-V432 VanDerWaalsContact O-CG2 3.32Å; V429-V432 WeakPolarHBondContact O-CG2 3.3Å; V429-V432 PolarHBondContact O-N 3Å; V429-A458 HydrophobicContact CG2-CB 4.27Å; V429-E459 WeakPolarHBondContact CB-O 3.48Å; V429-E459 WeakPolarHBondContact CG2-O 3.38Å; V429-V461 HydrophobicContact CG1-CG2 4.31Å; V429-Q466 HydrophobicContact CG1-CB 4.21Å; V429-Q466 HydrophobicContact CG1-CG 4.21Å; V429-L470 HydrophobicContact CG1-CD1 4.15Å
430G86.9Confident82.5Confident44 Ų4450.9 Ų50.945%0.45428%0.282SS..THydrogen-bonded Turntrans-63.1-17.517700000114.2H426 F428H426-G430 WeakPolarHBondContact O-CA 3.31Å; H426-G430 PolarHBondContact O-N 2.94Å; F428-G430 VanDerWaalsContact C-N 3.28Å; F428-G430 PolarHBondContact O-N 3.48Å
431R85.1Confident82Confident113 Ų11353.3 Ų53.343%0.42629%0.294SS..THydrogen-bonded Turntrans-84.3-9.8175.1-63.3174.2-167.2-154.22.6113.3S427 F428 V429 N433 S438S427-R431 WeakPolarHBondContact O-CG 3.42Å; S427-R431 PolarHBondContact O-NE 2.92Å; S427-R431 VanDerWaalsContact O-NE 3.1Å; F428-R431 WeakPolarHBondContact O-CB 3.32Å; F428-R431 PolarHBondContact O-N 3.14Å; F428-R431 VanDerWaalsContact O-N 3.13Å; V429-R431 PolarHBondContact O-N 2.81Å; V429-R431 VanDerWaalsContact O-N 3.15Å; R431-N433 PolarHBondContact O-N 3.27Å; R431-S438 WeakPolarHBondContact CB-O 3.35Å; R431-S438 VanDerWaalsContact O-CB 3.28Å; R431-S438 WeakPolarHBondContact O-CB 3.27Å
432V83.2Confident81.8Confident12 Ų1253.4 Ų53.47%0.07329%0.294CS..  trans-66.1105.3174.2179.70000108.8V429 T439 L442 Q466 Y469V429-V432 WeakPolarHBondContact O-CB 3.5Å; V429-V432 VanDerWaalsContact O-CG2 3.32Å; V429-V432 WeakPolarHBondContact O-CG2 3.3Å; V429-V432 PolarHBondContact O-N 3Å; V432-T439 HydrophobicContact CB-CG2 4.34Å; V432-T439 HydrophobicContact CG1-CG2 4.38Å; V432-T439 HydrophobicContact CG2-CG2 4.18Å; V432-L442 HydrophobicContact CG2-CD2 3.55Å; V432-Q466 HydrophobicContact CB-CG 3.98Å; V432-Q466 HydrophobicContact CG1-CG 4.4Å; V432-Y469 HydrophobicContact CG1-CD1 3.97Å; V432-Y469 HydrophobicContact CG1-CD2 4.21Å; V432-Y469 HydrophobicContact CG1-CG 3.66Å; V432-Y469 HydrophobicContact CG2-CD1 3.69Å; V432-Y469 HydrophobicContact CG2-CE1 3.92Å; V432-Y469 HydrophobicContact CG2-CG 4.24Å
433N76.7Confident81.7Confident85 Ų8555.8 Ų55.846%0.45531%0.307SS..SBendtrans-143.5-171.7178.666.829.7000109.4R431 D435 S438R431-N433 PolarHBondContact O-N 3.27Å; N433-D435 PolarHBondContact O-N 2.83Å; N433-D435 WeakPolarHBondContact OD1-CA 3.48Å; N433-D435 WeakPolarHBondContact OD1-CB 3.44Å; N433-D435 PolarHBondContact OD1-N 2.97Å; N433-D435 PolarHBondContact OD1-O 2.94Å; N433-S438 PolarHBondContact ND2-OG 3.19Å
434A64.8Low81.4Confident108 Ų10859.8 Ų59.889%0.89334%0.335SS*.SBendtrans-70.5-11.6-177.900000114.7P436A434-P436 WeakPolarHBondContact O-CD 3.46Å
435D73Confident81.2Confident81 Ų8160.5 Ų60.543%0.43334%0.339SS..  trans-91.3110.5177.7178.113.8000110.6N433 E437 S438N433-D435 PolarHBondContact O-N 2.83Å; N433-D435 WeakPolarHBondContact OD1-CA 3.48Å; N433-D435 WeakPolarHBondContact OD1-CB 3.44Å; N433-D435 PolarHBondContact OD1-N 2.97Å; N433-D435 PolarHBondContact OD1-O 2.94Å; D435-E437 PolarHBondContact O-N 2.83Å; D435-E437 VanDerWaalsContact O-N 3.14Å; D435-E437 PolarHBondContact OD1-N 3.11Å; D435-S438 WeakPolarHBondContact O-CB 3.36Å; D435-S438 PolarHBondContact O-N 3.23Å
436P69.7Low81.2Confident95 Ų9559.6 Ų59.662%0.61733%0.334SS*.Hα-helixtrans-59.6-26.2-178.2-22.133.4000114A434 S438 T439A434-P436 WeakPolarHBondContact O-CD 3.46Å; P436-S438 PolarHBondContact O-N 3.16Å; P436-T439 PolarHBondContact O-N 3.24Å; P436-T439 PolarHBondContact O-OG1 3.43Å; P436-T439 VanDerWaalsContact O-OG1 3.07Å
437E71Confident81.3Confident119 Ų11958 Ų5856%0.55633%0.329SS*.Hα-helixtrans-65.8-28177.2-76.4-67.7142.600111.7D435 T439 R440D435-E437 PolarHBondContact O-N 2.83Å; D435-E437 VanDerWaalsContact O-N 3.14Å; D435-E437 PolarHBondContact OD1-N 3.11Å; E437-T439 VanDerWaalsContact C-N 3.31Å; E437-T439 PolarHBondContact O-N 3.34Å; E437-R440 VanDerWaalsContact CD-CD 3.49Å; E437-R440 IonicContact OE1-CZ 2.74Å; E437-R440 IonicContact OE1-NH1 3.16Å; E437-R440 PolarHBondContact OE1-NH1 2.89Å; E437-R440 WeakPolarHBondContact OE2-CD 3.48Å; E437-R440 IonicContact OE2-CZ 3.39Å; E437-R440 IonicContact OE2-NE 3.31Å; E437-R440 IonicContact OE2-NH1 3.31Å; E437-R440 PolarHBondContact OE2-NH1 2.98Å
438S72.6Confident81.3Confident38 Ų3858.3 Ų58.327%0.26633%0.328SS..Hα-helixtrans-70.7-23.9-179.4-64.30000113.1R431 N433 D435 P436R431-S438 WeakPolarHBondContact CB-O 3.35Å; R431-S438 VanDerWaalsContact O-CB 3.28Å; R431-S438 WeakPolarHBondContact O-CB 3.27Å; N433-S438 PolarHBondContact ND2-OG 3.19Å; D435-S438 WeakPolarHBondContact O-CB 3.36Å; D435-S438 PolarHBondContact O-N 3.23Å; P436-S438 PolarHBondContact O-N 3.16Å
439T80.4Confident81.3Confident14 Ų1457.5 Ų57.59%0.08632%0.324CS..Hα-helixtrans-92.8-12.8-178.459.60000114.5V432 P436 E437 I441 L442 D443 Y469V432-T439 HydrophobicContact CB-CG2 4.34Å; V432-T439 HydrophobicContact CG1-CG2 4.38Å; V432-T439 HydrophobicContact CG2-CG2 4.18Å; P436-T439 PolarHBondContact O-N 3.24Å; P436-T439 PolarHBondContact O-OG1 3.43Å; P436-T439 VanDerWaalsContact O-OG1 3.07Å; E437-T439 VanDerWaalsContact C-N 3.31Å; E437-T439 PolarHBondContact O-N 3.34Å; T439-I441 PolarHBondContact O-N 2.84Å; T439-L442 WeakPolarHBondContact O-CA 3.38Å; T439-L442 WeakPolarHBondContact O-CB 3.28Å; T439-L442 PolarHBondContact O-N 3.37Å; T439-D443 PolarHBondContact O-N 3.2Å; T439-D443 PolarHBondContact OG1-OD2 3.39Å; T439-Y469 HydrophobicContact CG2-CE2 4.15Å
440R82.6Confident81.3Confident143 Ų14363.7 Ų63.754%0.5435%0.348SS..Hα-helixtrans-55.1-35.4-171.5-67.7178.969.1-173.63.2114.3E437 D443 C444E437-R440 VanDerWaalsContact CD-CD 3.49Å; E437-R440 IonicContact OE1-CZ 2.74Å; E437-R440 IonicContact OE1-NH1 3.16Å; E437-R440 PolarHBondContact OE1-NH1 2.89Å; E437-R440 WeakPolarHBondContact OE2-CD 3.48Å; E437-R440 IonicContact OE2-CZ 3.39Å; E437-R440 IonicContact OE2-NE 3.31Å; E437-R440 IonicContact OE2-NH1 3.31Å; E437-R440 PolarHBondContact OE2-NH1 2.98Å; R440-D443 PolarHBondContact O-N 3.48Å; R440-C444 PolarHBondContact O-N 3Å; R440-C444 PolarHBondContact O-SG 3.13Å
441I80.9Confident81.4Confident85 Ų8569.6 Ų69.644%0.43636%0.361SS..Hα-helixtrans-69.2-42.3178.2-58.6177.7000110.4F428 T439 C444 V445F428-I441 HydrophobicContact CD1-CG2 3.91Å; F428-I441 HydrophobicContact CE1-CG2 3.59Å; T439-I441 PolarHBondContact O-N 2.84Å; I441-C444 WeakPolarHBondContact O-CB 3.46Å; I441-C444 PolarHBondContact O-N 3.27Å; I441-V445 WeakPolarHBondContact O-CG2 3Å; I441-V445 PolarHBondContact O-N 3.2Å
442L86.1Confident81.5Confident3 Ų367.9 Ų67.92%0.01636%0.36CS..Hα-helixtrans-61.3-47.2174.2-179.555000110.1I424 F428 V432 T439 C444 V445 L446 Y469I424-L442 HydrophobicContact CD1-CD1 3.78Å; I424-L442 HydrophobicContact CG2-CD1 3.79Å; F428-L442 HydrophobicContact CB-CD1 4.38Å; V432-L442 HydrophobicContact CG2-CD2 3.55Å; T439-L442 WeakPolarHBondContact O-CA 3.38Å; T439-L442 WeakPolarHBondContact O-CB 3.28Å; T439-L442 PolarHBondContact O-N 3.37Å; L442-C444 VanDerWaalsContact C-N 3.27Å; L442-C444 PolarHBondContact O-N 2.88Å; L442-V445 WeakPolarHBondContact O-CA 3.45Å; L442-V445 WeakPolarHBondContact O-CB 3.43Å; L442-V445 PolarHBondContact O-N 3.37Å; L442-L446 HydrophobicContact CD1-CD2 4.2Å; L442-L446 HydrophobicContact CD1-CG 4.18Å; L442-L446 HydrophobicContact CG-CD1 4.31Å; L442-L446 HydrophobicContact CG-CG 4.35Å; L442-L446 VanDerWaalsContact O-CG 3.29Å; L442-L446 WeakPolarHBondContact O-CG 3.31Å; L442-L446 PolarHBondContact O-N 3.29Å; L442-Y469 HydrophobicContact CD2-CD1 4.26Å; L442-Y469 HydrophobicContact CD2-CE1 3.48Å; L442-Y469 VanDerWaalsContact CD2-CE1 3.48Å; L442-Y469 HydrophobicContact CG-CE1 4.1Å
443D87.2Confident81.7Confident51 Ų5172.6 Ų72.627%0.27339%0.393SS..Hα-helixtrans-53.5-43.5175.6-64.8-48.4000112.1T439 R440 L446 D447 Y469T439-D443 PolarHBondContact O-N 3.2Å; T439-D443 PolarHBondContact OG1-OD2 3.39Å; R440-D443 PolarHBondContact O-N 3.48Å; D443-L446 PolarHBondContact O-N 3Å; D443-D447 WeakPolarHBondContact O-CB 3.28Å; D443-D447 PolarHBondContact O-N 2.77Å; D443-Y469 PolarHBondContact OD1-OH 2.88Å
444C85.8Confident82.3Confident88 Ų8869.3 Ų69.360%0.59538%0.376SS*.Hα-helixtrans-62.5-40.9175.4-72.80000113R440 I441 L442 D447 L448R440-C444 PolarHBondContact O-N 3Å; R440-C444 PolarHBondContact O-SG 3.13Å; I441-C444 WeakPolarHBondContact O-CB 3.46Å; I441-C444 PolarHBondContact O-N 3.27Å; L442-C444 VanDerWaalsContact C-N 3.27Å; L442-C444 PolarHBondContact O-N 2.88Å; C444-D447 PolarHBondContact O-N 3.46Å; C444-L448 WeakPolarHBondContact O-CB 3.42Å; C444-L448 PolarHBondContact O-N 3.34Å
445V84.2Confident83.6Confident17 Ų1765.4 Ų65.410%0.10334%0.342CS..Hα-helixtrans-65.4-42.7176.1171.50000110.6F404 I424 I441 L442 L448 A449F404-V445 HydrophobicContact CD1-CG1 3.84Å; F404-V445 HydrophobicContact CE1-CG1 3.88Å; F404-V445 HydrophobicContact CE1-CG2 4.28Å; I424-V445 HydrophobicContact CD1-CG1 3.96Å; I424-V445 HydrophobicContact CG1-CG1 4.13Å; I441-V445 WeakPolarHBondContact O-CG2 3Å; I441-V445 PolarHBondContact O-N 3.2Å; L442-V445 WeakPolarHBondContact O-CA 3.45Å; L442-V445 WeakPolarHBondContact O-CB 3.43Å; L442-V445 PolarHBondContact O-N 3.37Å; V445-L448 WeakPolarHBondContact O-CB 3.37Å; V445-L448 PolarHBondContact O-N 2.97Å; V445-A449 PolarHBondContact O-N 3.32Å
446L88.1Confident84.5Confident1 Ų162.5 Ų62.51%0.00533%0.326CS..Hα-helixtrans-63.8-43176.9-60.8-177000111.9I424 L442 D443 L448 A449 R450 I456 Y469 N473 I475I424-L446 HydrophobicContact CD1-CD2 3.55Å; L442-L446 HydrophobicContact CD1-CD2 4.2Å; L442-L446 HydrophobicContact CD1-CG 4.18Å; L442-L446 HydrophobicContact CG-CD1 4.31Å; L442-L446 HydrophobicContact CG-CG 4.35Å; L442-L446 VanDerWaalsContact O-CG 3.29Å; L442-L446 WeakPolarHBondContact O-CG 3.31Å; L442-L446 PolarHBondContact O-N 3.29Å; D443-L446 PolarHBondContact O-N 3Å; L446-L448 VanDerWaalsContact C-N 3.33Å; L446-A449 PolarHBondContact O-N 3.06Å; L446-R450 WeakPolarHBondContact O-CB 3.37Å; L446-R450 WeakPolarHBondContact O-CG 3.32Å; L446-R450 PolarHBondContact O-N 3.27Å; L446-I456 HydrophobicContact CD2-CD1 3.47Å; L446-I456 VanDerWaalsContact CD2-CD1 3.47Å; L446-Y469 HydrophobicContact CD1-CE1 4.46Å; L446-N473 HydrophobicContact CD1-CB 3.81Å; L446-I475 HydrophobicContact CD1-CD1 3.95Å; L446-I475 HydrophobicContact CD2-CD1 3.43Å; L446-I475 VanDerWaalsContact CD2-CD1 3.43Å; L446-I475 HydrophobicContact CD2-CG1 4.21Å; L446-I475 HydrophobicContact CG-CD1 4.34Å
447D89Confident85.6Confident67 Ų6758.7 Ų58.736%0.35830%0.301SS..Hα-helixtrans-64.4-38.1176.2-86.93000112.1D443 C444 R450 K451D443-D447 WeakPolarHBondContact O-CB 3.28Å; D443-D447 PolarHBondContact O-N 2.77Å; C444-D447 PolarHBondContact O-N 3.46Å; D447-R450 IonicContact OD1-CZ 3.86Å; D447-R450 IonicContact OD1-NH1 2.96Å; D447-R450 PolarHBondContact OD1-NH1 3.3Å; D447-R450 IonicContact OD1-NH2 3.9Å; D447-R450 PolarHBondContact OD1-NH2 3.31Å; D447-K451 WeakPolarHBondContact O-CB 3.21Å; D447-K451 VanDerWaalsContact O-CG 3.25Å; D447-K451 WeakPolarHBondContact O-CG 3.4Å; D447-K451 PolarHBondContact O-N 3.04Å
448L86.2Confident86.7Confident42 Ų4253 Ų5322%0.2227%0.274CS..Hα-helixtrans-63.1-53.217517469.5000111.1F404 L411 L414 C444 V445 L446 R450 K451 L452F404-L448 HydrophobicContact CE1-CD2 4.21Å; F404-L448 HydrophobicContact CZ-CD2 3.89Å; L411-L448 HydrophobicContact CD2-CD1 3.68Å; L411-L448 HydrophobicContact CD2-CD2 3.43Å; L411-L448 VanDerWaalsContact CD2-CD2 3.43Å; L411-L448 HydrophobicContact CD2-CG 4.18Å; L414-L448 HydrophobicContact CD1-CD2 4.14Å; C444-L448 WeakPolarHBondContact O-CB 3.42Å; C444-L448 PolarHBondContact O-N 3.34Å; V445-L448 WeakPolarHBondContact O-CB 3.37Å; V445-L448 PolarHBondContact O-N 2.97Å; L446-L448 VanDerWaalsContact C-N 3.33Å; L448-R450 VanDerWaalsContact C-N 3.29Å; L448-R450 PolarHBondContact O-N 3.02Å; L448-K451 PolarHBondContact O-N 3.08Å; L448-K451 VanDerWaalsContact O-N 3.09Å; L448-L452 HydrophobicContact CD1-CD1 3.76Å; L448-L452 HydrophobicContact CD1-CG 4.19Å; L448-L452 HydrophobicContact CG-CD1 4.01Å; L448-L452 WeakPolarHBondContact O-CG 3.39Å; L448-L452 PolarHBondContact O-N 3.11Å
449A86.4Confident87.7Confident1 Ų152 Ų521%0.00827%0.266CS..Hα-helixtrans-57.5-43.4179.100000111.2V445 L446 K451 L452 S453 I454 I456V445-A449 PolarHBondContact O-N 3.32Å; L446-A449 PolarHBondContact O-N 3.06Å; A449-K451 PolarHBondContact O-N 3.1Å; A449-L452 CarbonylContact O-C 3.46Å; A449-L452 PolarHBondContact O-N 2.78Å; A449-S453 PolarHBondContact O-N 3.31Å; A449-I454 PolarHBondContact O-N 2.78Å; A449-I456 HydrophobicContact CB-CD1 3.52Å; A449-I456 HydrophobicContact CB-CG1 3.72Å
450R88.2Confident88.3Confident131 Ų13152 Ų5249%0.49427%0.268SS..Hα-helixtrans-60.1-43.4173.8-78.3-173-100.4121.81113L446 D447 L448 L452 S453L446-R450 WeakPolarHBondContact O-CB 3.37Å; L446-R450 WeakPolarHBondContact O-CG 3.32Å; L446-R450 PolarHBondContact O-N 3.27Å; D447-R450 IonicContact OD1-CZ 3.86Å; D447-R450 IonicContact OD1-NH1 2.96Å; D447-R450 PolarHBondContact OD1-NH1 3.3Å; D447-R450 IonicContact OD1-NH2 3.9Å; D447-R450 PolarHBondContact OD1-NH2 3.31Å; L448-R450 VanDerWaalsContact C-N 3.29Å; L448-R450 PolarHBondContact O-N 3.02Å; R450-L452 VanDerWaalsContact C-N 3.29Å; R450-L452 PolarHBondContact O-N 3.19Å; R450-S453 PolarHBondContact O-N 3.03Å
451K89.1Confident88.9Confident167 Ų16745.1 Ų45.173%0.72624%0.242SC*.Hα-helixtrans-66.5-31.3178.1-77170.4-176.5169.80112.9D447 L448 A449 S453D447-K451 WeakPolarHBondContact O-CB 3.21Å; D447-K451 VanDerWaalsContact O-CG 3.25Å; D447-K451 WeakPolarHBondContact O-CG 3.4Å; D447-K451 PolarHBondContact O-N 3.04Å; L448-K451 PolarHBondContact O-N 3.08Å; L448-K451 VanDerWaalsContact O-N 3.09Å; A449-K451 PolarHBondContact O-N 3.1Å; K451-S453 VanDerWaalsContact C-N 3.34Å
452L86.1Confident89.5Confident78 Ų7846.2 Ų46.241%0.40825%0.245SC..Hα-helixtrans-88.5-2.8177.1-62.8177.8000113L414 L448 A449 R450 I454L414-L452 HydrophobicContact CB-CD1 4.01Å; L414-L452 HydrophobicContact CD1-CD1 3.73Å; L414-L452 HydrophobicContact CG-CD1 4.49Å; L448-L452 HydrophobicContact CD1-CD1 3.76Å; L448-L452 HydrophobicContact CD1-CG 4.19Å; L448-L452 HydrophobicContact CG-CD1 4.01Å; L448-L452 WeakPolarHBondContact O-CG 3.39Å; L448-L452 PolarHBondContact O-N 3.11Å; A449-L452 CarbonylContact O-C 3.46Å; A449-L452 PolarHBondContact O-N 2.78Å; R450-L452 VanDerWaalsContact C-N 3.29Å; R450-L452 PolarHBondContact O-N 3.19Å; L452-I454 HydrophobicContact CB-CD1 3.65Å; L452-I454 HydrophobicContact CB-CG1 3.73Å; L452-I454 HydrophobicContact CD1-CD1 3.91Å; L452-I454 HydrophobicContact CG-CD1 4.45Å; L452-I454 PolarHBondContact O-N 3.37Å
453S87.5Confident89.8Confident111 Ų11148.4 Ų48.478%0.77626%0.259SS*.THydrogen-bonded Turntrans55.437.8-173.6-50.40000112.9A449 R450 K451A449-S453 PolarHBondContact O-N 3.31Å; R450-S453 PolarHBondContact O-N 3.03Å; K451-S453 VanDerWaalsContact C-N 3.34Å
454I89.6Confident90Very high15 Ų1550.2 Ų50.28%0.07726%0.264CS..  trans-99.8133.8177.9-58.9175000108.8L414 I419 I422 A449 L452L414-I454 HydrophobicContact CD2-CD1 3.96Å; I419-I454 HydrophobicContact CG2-CG2 4.36Å; I422-I454 HydrophobicContact CB-CG2 4.27Å; I422-I454 HydrophobicContact CD1-CB 4.33Å; I422-I454 HydrophobicContact CD1-CD1 3.97Å; I422-I454 HydrophobicContact CD1-CG2 3.84Å; I422-I454 HydrophobicContact CG1-CG2 3.82Å; A449-I454 PolarHBondContact O-N 2.78Å; L452-I454 HydrophobicContact CB-CD1 3.65Å; L452-I454 HydrophobicContact CB-CG1 3.73Å; L452-I454 HydrophobicContact CD1-CD1 3.91Å; L452-I454 HydrophobicContact CG-CD1 4.45Å; L452-I454 PolarHBondContact O-N 3.37Å
455S90.7Very high90.2Very high26 Ų2651.9 Ų51.918%0.18226%0.263CS..EExtended strand (participates in β ladder)trans-80.5155.4179.7-77.30000111.8D420 Y421 I422 E507D420-S455 PolarHBondContact O-N 3.18Å; Y421-S455 CarbonylContact C-O 3.52Å; Y421-S455 VanDerWaalsContact CA-O 3.24Å; Y421-S455 WeakPolarHBondContact CA-O 3.47Å; I422-S455 PolarHBondContact N-O 2.82Å; S455-E507 PolarHBondContact OG-O 2.74Å
456I92.3Very high90.6Very high20 Ų2051.6 Ų51.610%0.10326%0.261CS..EExtended strand (participates in β ladder)trans-120.7134.6-167.9-58.9177000110.4I422 I424 L446 A449 I475I422-I456 WeakPolarHBondContact O-CA 3.3Å; I424-I456 HydrophobicContact CD1-CD1 4.47Å; I424-I456 HydrophobicContact CD1-CG2 3.42Å; I424-I456 VanDerWaalsContact CD1-CG2 3.42Å; I424-I456 HydrophobicContact CG1-CG2 3.83Å; L446-I456 HydrophobicContact CD2-CD1 3.47Å; L446-I456 VanDerWaalsContact CD2-CD1 3.47Å; A449-I456 HydrophobicContact CB-CD1 3.52Å; A449-I456 HydrophobicContact CB-CG1 3.72Å; I456-I475 HydrophobicContact CB-CG2 4.33Å; I456-I475 HydrophobicContact CG2-CG1 4.45Å; I456-I475 HydrophobicContact CG2-CG2 3.99Å
457V93.5Very high90.9Very high15 Ų1551.9 Ų51.99%0.09126%0.262CS..EExtended strand (participates in β ladder)trans-110.9120.4162.5-174.10000107.8V269 Y421 I422 K423 I424 F477V269-V457 HydrophobicContact CG1-CG1 4.26Å; Y421-V457 HydrophobicContact CD1-CG2 3.92Å; I422-V457 PolarHBondContact O-N 3.41Å; K423-V457 CarbonylContact C-O 3.6Å; K423-V457 VanDerWaalsContact CA-O 3.31Å; K423-V457 WeakPolarHBondContact CA-O 3.45Å; K423-V457 HydrophobicContact CG-CB 4.14Å; K423-V457 HydrophobicContact CG-CG2 4.49Å; I424-V457 PolarHBondContact N-O 2.76Å; V457-F477 WeakPolarHBondContact CA-O 3.27Å; V457-F477 HydrophobicContact CB-CB 4.28Å; V457-F477 HydrophobicContact CG1-CB 4.21Å; V457-F477 HydrophobicContact CG2-CB 3.88Å
458A93.5Very high91Very high0 Ų051.6 Ų51.60%026%0.261CS..EExtended strand (participates in β ladder)trans-93.2126.1175.400000110.9V429 L470 I475 F477 Q478 Q479V429-A458 HydrophobicContact CG2-CB 4.27Å; A458-L470 HydrophobicContact CB-CD1 3.66Å; A458-L470 HydrophobicContact CB-CD2 3.74Å; A458-L470 HydrophobicContact CB-CG 4.3Å; A458-I475 HydrophobicContact CB-CG2 3.96Å; A458-F477 PolarHBondContact N-O 3.23Å; A458-Q478 HydrophobicContact CB-CG 4.47Å; A458-Q478 CarbonylContact O-C 3.59Å; A458-Q478 WeakPolarHBondContact O-CA 3.12Å; A458-Q479 PolarHBondContact O-N 2.62Å
459E93.8Very high91.3Very high17 Ų1751.1 Ų51.18%0.07926%0.256CS..  trans-103.6158.8-178.6-54.4-166.115900113.1K423 I424 V429 V461 Q479K423-E459 HydrophobicContact CB-CG 4.42Å; K423-E459 WeakPolarHBondContact CE-OE1 3.16Å; K423-E459 IonicContact NZ-OE1 3.72Å; K423-E459 PolarHBondContact NZ-OE1 3.14Å; I424-E459 VanDerWaalsContact O-CB 3.29Å; I424-E459 WeakPolarHBondContact O-CB 3.32Å; I424-E459 PolarHBondContact O-N 3.34Å; V429-E459 WeakPolarHBondContact CB-O 3.48Å; V429-E459 WeakPolarHBondContact CG2-O 3.38Å; E459-V461 VanDerWaalsContact C-N 3.33Å; E459-V461 PolarHBondContact O-N 2.92Å; E459-Q479 CarbonylContact C-O 3.54Å; E459-Q479 VanDerWaalsContact C-O 3.32Å; E459-Q479 WeakPolarHBondContact CA-O 2.98Å
460G92.9Very high91.5Very high13 Ų1351 Ų5113%0.13426%0.256CS..  trans62.736.2176.700000114.6E462 Q479G460-E462 PolarHBondContact O-N 2.92Å; G460-Q479 PolarHBondContact N-O 3.41Å
461V94.6Very high91.7Very high0 Ų045.8 Ų45.80%024%0.238CC..  trans-68.2113.9166.8-171.50000109V429 E459 Q466 L467 L470 Q478 Q479 G480 Y481 Y482 F483V429-V461 HydrophobicContact CG1-CG2 4.31Å; E459-V461 VanDerWaalsContact C-N 3.33Å; E459-V461 PolarHBondContact O-N 2.92Å; V461-Q466 HydrophobicContact CG1-CB 4.18Å; V461-L467 HydrophobicContact CG1-CB 4.08Å; V461-L470 HydrophobicContact CG2-CD1 3.4Å; V461-L470 VanDerWaalsContact CG2-CD1 3.4Å; V461-Q478 HydrophobicContact CG2-CB 4.24Å; V461-Q479 PolarHBondContact N-O 3.01Å; V461-G480 CarbonylContact O-C 3.57Å; V461-G480 VanDerWaalsContact O-CA 3.32Å; V461-G480 WeakPolarHBondContact O-CA 3.36Å; V461-Y481 PolarHBondContact O-N 3.26Å; V461-Y481 VanDerWaalsContact O-N 3.07Å; V461-Y482 WeakPolarHBondContact O-CB 3.26Å; V461-Y482 PolarHBondContact O-N 2.75Å; V461-F483 HydrophobicContact CB-CE2 4.1Å; V461-F483 HydrophobicContact CG1-CE2 4.12Å; V461-F483 HydrophobicContact CG2-CE2 4.46Å
462E94Very high91.8Very high108 Ų10844.7 Ų44.751%0.50524%0.235SC..  trans-118.4-26.5-176.8-63.7-168.9157.800112.9G460G460-E462 PolarHBondContact O-N 2.92Å
463T92.7Very high92Very high48 Ų4842.9 Ų42.929%0.29423%0.226SC..SBendtrans-121.7163.5-177.489.30000113.5E465 Q466 L467T463-E465 VanDerWaalsContact C-N 3.33Å; T463-E465 WeakPolarHBondContact CB-OE2 3.43Å; T463-E465 PolarHBondContact OG1-N 2.81Å; T463-E465 PolarHBondContact OG1-OE2 2.87Å; T463-Q466 PolarHBondContact OG1-N 3.02Å; T463-L467 PolarHBondContact O-N 3.17Å
464K91.7Very high92.1Very high89 Ų8943.4 Ų43.439%0.38722%0.22SC..Hα-helixtrans-69.4-34.9178.1-179.652.4173.7158.50111.5L467 D468 Y482K464-L467 HydrophobicContact CD-CD2 4.03Å; K464-L467 WeakPolarHBondContact O-CB 3.39Å; K464-L467 PolarHBondContact O-N 3.04Å; K464-D468 VanDerWaalsContact CE-OD1 3.22Å; K464-D468 WeakPolarHBondContact CE-OD1 3.41Å; K464-D468 VanDerWaalsContact CE-OD2 3.27Å; K464-D468 WeakPolarHBondContact CE-OD2 3.48Å; K464-D468 IonicContact NZ-OD1 2.79Å; K464-D468 PolarHBondContact NZ-OD1 2.8Å; K464-D468 IonicContact NZ-OD2 4Å; K464-D468 WeakPolarHBondContact O-CB 3.5Å; K464-D468 VanDerWaalsContact O-CG 3.28Å; K464-D468 PolarHBondContact O-N 3.33Å; K464-Y482 HydrophobicContact CB-CE2 4.25Å
465E90.9Very high92.2Very high124 Ų12443 Ų4358%0.57922%0.218SC*.Hα-helixtrans-62.4-43.7177.3-5974.1-16200111T463 D468 Y469T463-E465 VanDerWaalsContact C-N 3.33Å; T463-E465 WeakPolarHBondContact CB-OE2 3.43Å; T463-E465 PolarHBondContact OG1-N 2.81Å; T463-E465 PolarHBondContact OG1-OE2 2.87Å; E465-D468 PolarHBondContact O-N 3.44Å; E465-Y469 WeakPolarHBondContact O-CB 3.27Å; E465-Y469 PolarHBondContact O-N 3.43Å
466Q92.7Very high92.1Very high11 Ų1143 Ų435%0.05122%0.216CC..Hα-helixtrans-60.1-49.7173.6-71.4164-500111.2V429 V432 V461 T463 D468 Y469 L470V429-Q466 HydrophobicContact CG1-CB 4.21Å; V429-Q466 HydrophobicContact CG1-CG 4.21Å; V432-Q466 HydrophobicContact CB-CG 3.98Å; V432-Q466 HydrophobicContact CG1-CG 4.4Å; V461-Q466 HydrophobicContact CG1-CB 4.18Å; T463-Q466 PolarHBondContact OG1-N 3.02Å; Q466-D468 VanDerWaalsContact C-N 3.33Å; Q466-D468 PolarHBondContact O-N 3.15Å; Q466-Y469 PolarHBondContact O-N 3.24Å; Q466-L470 VanDerWaalsContact O-CG 3.22Å; Q466-L470 WeakPolarHBondContact O-CG 3.42Å; Q466-L470 PolarHBondContact O-N 3.44Å
467L92.7Very high92.2Very high7 Ų742.4 Ų42.44%0.03721%0.213CC..Hα-helixtrans-55.2-47.4176.7173.159.1000112.2G272 V461 T463 K464 L470 N471 Y482 F483G272-L467 WeakPolarHBondContact O-CD1 3.29Å; V461-L467 HydrophobicContact CG1-CB 4.08Å; T463-L467 PolarHBondContact O-N 3.17Å; K464-L467 HydrophobicContact CD-CD2 4.03Å; K464-L467 WeakPolarHBondContact O-CB 3.39Å; K464-L467 PolarHBondContact O-N 3.04Å; L467-L470 PolarHBondContact O-N 3.46Å; L467-N471 VanDerWaalsContact CD1-ND2 3.34Å; L467-N471 WeakPolarHBondContact CD1-ND2 3.36Å; L467-N471 WeakPolarHBondContact O-CB 3.37Å; L467-N471 VanDerWaalsContact O-CG 3.28Å; L467-N471 PolarHBondContact O-N 3.47Å; L467-N471 PolarHBondContact O-ND2 3.38Å; L467-Y482 HydrophobicContact CD2-CD1 4.08Å; L467-Y482 HydrophobicContact CD2-CE1 3.42Å; L467-Y482 VanDerWaalsContact CD2-CE1 3.42Å; L467-F483 HydrophobicContact CD1-CE1 4.41Å; L467-F483 HydrophobicContact CD1-CE2 4.47Å; L467-F483 HydrophobicContact CD1-CZ 3.62Å; L467-F483 HydrophobicContact CD2-CZ 4.37Å
468D91.9Very high92.3Very high60 Ų6041.7 Ų41.732%0.32121%0.209SC..Hα-helixtrans-67.9-40.5-176.7-71.3-19.9000111.6K464 E465 Q466 N471 Q472K464-D468 VanDerWaalsContact CE-OD1 3.22Å; K464-D468 WeakPolarHBondContact CE-OD1 3.41Å; K464-D468 VanDerWaalsContact CE-OD2 3.27Å; K464-D468 WeakPolarHBondContact CE-OD2 3.48Å; K464-D468 IonicContact NZ-OD1 2.79Å; K464-D468 PolarHBondContact NZ-OD1 2.8Å; K464-D468 IonicContact NZ-OD2 4Å; K464-D468 WeakPolarHBondContact O-CB 3.5Å; K464-D468 VanDerWaalsContact O-CG 3.28Å; K464-D468 PolarHBondContact O-N 3.33Å; E465-D468 PolarHBondContact O-N 3.44Å; Q466-D468 VanDerWaalsContact C-N 3.33Å; Q466-D468 PolarHBondContact O-N 3.15Å; D468-N471 PolarHBondContact O-N 3.4Å; D468-Q472 WeakPolarHBondContact O-CB 3.44Å; D468-Q472 WeakPolarHBondContact O-CG 3.49Å; D468-Q472 PolarHBondContact O-N 3.45Å
469Y91.4Very high92.3Very high32 Ų3241.9 Ų41.913%0.12521%0.21CC..Hα-helixtrans-62.2-45.2174173-88.4000112.2V432 T439 L442 D443 L446 E465 Q466 N471 Q472 N473V432-Y469 HydrophobicContact CG1-CD1 3.97Å; V432-Y469 HydrophobicContact CG1-CD2 4.21Å; V432-Y469 HydrophobicContact CG1-CG 3.66Å; V432-Y469 HydrophobicContact CG2-CD1 3.69Å; V432-Y469 HydrophobicContact CG2-CE1 3.92Å; V432-Y469 HydrophobicContact CG2-CG 4.24Å; T439-Y469 HydrophobicContact CG2-CE2 4.15Å; L442-Y469 HydrophobicContact CD2-CD1 4.26Å; L442-Y469 HydrophobicContact CD2-CE1 3.48Å; L442-Y469 VanDerWaalsContact CD2-CE1 3.48Å; L442-Y469 HydrophobicContact CG-CE1 4.1Å; D443-Y469 PolarHBondContact OD1-OH 2.88Å; L446-Y469 HydrophobicContact CD1-CE1 4.46Å; E465-Y469 WeakPolarHBondContact O-CB 3.27Å; E465-Y469 PolarHBondContact O-N 3.43Å; Q466-Y469 PolarHBondContact O-N 3.24Å; Y469-N471 VanDerWaalsContact C-N 3.35Å; Y469-N471 PolarHBondContact O-N 3.34Å; Y469-Q472 PolarHBondContact O-N 3.35Å; Y469-N473 PolarHBondContact O-N 3.29Å; Y469-N473 VanDerWaalsContact O-N 3.14Å; Y469-N473 PolarHBondContact O-ND2 2.8Å
470L92.4Very high92.4Very high0 Ų041 Ų410%021%0.206CC..Hα-helixtrans-64.9-40.1178.3-66.1169.3000111.3V429 A458 V461 Q466 L467 N473 N474 I475 Q478V429-L470 HydrophobicContact CG1-CD1 4.15Å; A458-L470 HydrophobicContact CB-CD1 3.66Å; A458-L470 HydrophobicContact CB-CD2 3.74Å; A458-L470 HydrophobicContact CB-CG 4.3Å; V461-L470 HydrophobicContact CG2-CD1 3.4Å; V461-L470 VanDerWaalsContact CG2-CD1 3.4Å; Q466-L470 VanDerWaalsContact O-CG 3.22Å; Q466-L470 WeakPolarHBondContact O-CG 3.42Å; Q466-L470 PolarHBondContact O-N 3.44Å; L467-L470 PolarHBondContact O-N 3.46Å; L470-N473 CarbonylContact O-C 3.59Å; L470-N473 PolarHBondContact O-N 3.15Å; L470-N474 PolarHBondContact O-N 2.88Å; L470-I475 HydrophobicContact CB-CB 4.34Å; L470-I475 HydrophobicContact CB-CD1 4.28Å; L470-I475 HydrophobicContact CD2-CD1 3.43Å; L470-I475 VanDerWaalsContact CD2-CD1 3.43Å; L470-I475 HydrophobicContact CG-CD1 4.45Å; L470-I475 PolarHBondContact O-N 3.22Å; L470-Q478 HydrophobicContact CD1-CG 4.47Å
471N92.6Very high92.5Very high21 Ų2146.1 Ų46.111%0.11222%0.222CC..Hα-helixtrans-66.4-34.4175.7-78.8-29.4000113.2G272 R273 L467 D468 Y469 N473 N474 Q478G272-N471 VanDerWaalsContact C-OD1 3.3Å; G272-N471 PolarHBondContact O-ND2 3.5Å; R273-N471 PolarHBondContact N-OD1 2.95Å; R273-N471 PolarHBondContact NH2-O 2.95Å; L467-N471 VanDerWaalsContact CD1-ND2 3.34Å; L467-N471 WeakPolarHBondContact CD1-ND2 3.36Å; L467-N471 WeakPolarHBondContact O-CB 3.37Å; L467-N471 VanDerWaalsContact O-CG 3.28Å; L467-N471 PolarHBondContact O-N 3.47Å; L467-N471 PolarHBondContact O-ND2 3.38Å; D468-N471 PolarHBondContact O-N 3.4Å; Y469-N471 VanDerWaalsContact C-N 3.35Å; Y469-N471 PolarHBondContact O-N 3.34Å; N471-N473 VanDerWaalsContact C-N 3.28Å; N471-N474 PolarHBondContact O-N 2.84Å; N471-Q478 PolarHBondContact OD1-NE2 3.09Å; N471-Q478 VanDerWaalsContact OD1-NE2 3.09Å
472Q91.1Very high92.4Very high144 Ų14451 Ų5167%0.67324%0.241SC*.Hα-helixtrans-66.4-32.5174.1-75.6167.731.500111.8D468 Y469 N474D468-Q472 WeakPolarHBondContact O-CB 3.44Å; D468-Q472 WeakPolarHBondContact O-CG 3.49Å; D468-Q472 PolarHBondContact O-N 3.45Å; Y469-Q472 PolarHBondContact O-N 3.35Å; Q472-N474 PolarHBondContact O-N 3.34Å
473N89.6Confident92.4Very high40 Ų4047.6 Ų47.621%0.21423%0.225CC..THydrogen-bonded Turntrans-85.511174.6-75.7-77.1000113.7L446 Y469 L470 N471 I475L446-N473 HydrophobicContact CD1-CB 3.81Å; Y469-N473 PolarHBondContact O-N 3.29Å; Y469-N473 VanDerWaalsContact O-N 3.14Å; Y469-N473 PolarHBondContact O-ND2 2.8Å; L470-N473 CarbonylContact O-C 3.59Å; L470-N473 PolarHBondContact O-N 3.15Å; N471-N473 VanDerWaalsContact C-N 3.28Å; N473-I475 VanDerWaalsContact C-N 3.26Å; N473-I475 HydrophobicContact CB-CD1 4.19Å; N473-I475 HydrophobicContact CB-CG1 4.34Å; N473-I475 PolarHBondContact O-N 3.24Å
474N89.8Confident92.5Very high121 Ų12147.8 Ų47.865%0.64722%0.22SC*.THydrogen-bonded Turntrans5733.6179.9-54.8-50.5000114.1L470 N471 Q472 T476L470-N474 PolarHBondContact O-N 2.88Å; N471-N474 PolarHBondContact O-N 2.84Å; Q472-N474 PolarHBondContact O-N 3.34Å; N474-T476 PolarHBondContact O-N 3.41Å
475I91.5Very high92.6Very high7 Ų749.7 Ų49.74%0.03623%0.228CC..  trans-84.5104.6174.5-60.1163000108.5L446 I456 A458 L470 N473 Q478L446-I475 HydrophobicContact CD1-CD1 3.95Å; L446-I475 HydrophobicContact CD2-CD1 3.43Å; L446-I475 VanDerWaalsContact CD2-CD1 3.43Å; L446-I475 HydrophobicContact CD2-CG1 4.21Å; L446-I475 HydrophobicContact CG-CD1 4.34Å; I456-I475 HydrophobicContact CB-CG2 4.33Å; I456-I475 HydrophobicContact CG2-CG1 4.45Å; I456-I475 HydrophobicContact CG2-CG2 3.99Å; A458-I475 HydrophobicContact CB-CG2 3.96Å; L470-I475 HydrophobicContact CB-CB 4.34Å; L470-I475 HydrophobicContact CB-CD1 4.28Å; L470-I475 HydrophobicContact CD2-CD1 3.43Å; L470-I475 VanDerWaalsContact CD2-CD1 3.43Å; L470-I475 HydrophobicContact CG-CD1 4.45Å; L470-I475 PolarHBondContact O-N 3.22Å; N473-I475 VanDerWaalsContact C-N 3.26Å; N473-I475 HydrophobicContact CB-CD1 4.19Å; N473-I475 HydrophobicContact CB-CG1 4.34Å; N473-I475 PolarHBondContact O-N 3.24Å; I475-Q478 HydrophobicContact CG2-CG 4.39Å; I475-Q478 PolarHBondContact O-NE2 3.49Å
476T89Confident92.9Very high25 Ų2544.7 Ų44.715%0.15321%0.207CC..  trans-73.6-53-175.1-63.60000111.9N271 G272 N474 E507N271-T476 VanDerWaalsContact CA-O 3.26Å; N271-T476 WeakPolarHBondContact CA-O 3.38Å; N271-T476 HydrophobicContact CB-CG2 4.38Å; N271-T476 WeakPolarHBondContact ND2-CG2 3.33Å; G272-T476 PolarHBondContact N-O 2.84Å; N474-T476 PolarHBondContact O-N 3.41Å; T476-E507 WeakPolarHBondContact CB-OE2 3.25Å; T476-E507 PolarHBondContact OG1-OE2 2.88Å
477F93.6Very high93Very high8 Ų845.3 Ų45.34%0.03521%0.211CC..EExtended strand (participates in β ladder)trans-83.2119.6-175.3-61.8-87.7000110.8V269 R278 Y421 V457 A458 V504V269-F477 HydrophobicContact CG1-CB 3.98Å; V269-F477 HydrophobicContact CG1-CD1 4.01Å; V269-F477 HydrophobicContact CG1-CG 4.5Å; R278-F477 HydrophobicContact CB-CD1 3.93Å; R278-F477 HydrophobicContact CB-CE1 3.77Å; R278-F477 HydrophobicContact CG-CD1 4.35Å; R278-F477 HydrophobicContact CG-CE1 4.21Å; Y421-F477 HydrophobicContact CE1-CD2 4.07Å; Y421-F477 HydrophobicContact CE1-CE2 4.03Å; V457-F477 WeakPolarHBondContact CA-O 3.27Å; V457-F477 HydrophobicContact CB-CB 4.28Å; V457-F477 HydrophobicContact CG1-CB 4.21Å; V457-F477 HydrophobicContact CG2-CB 3.88Å; A458-F477 PolarHBondContact N-O 3.23Å; F477-V504 HydrophobicContact CE1-CG1 4Å; F477-V504 HydrophobicContact CZ-CG1 4.23Å
478Q95.3Very high93.2Very high0 Ų046.9 Ų46.90%022%0.221CC..EExtended strand (participates in β ladder)trans-136.4146.6-177.4-59-177.521.100110.6V270 A458 V461 L470 N471 I475 F483V270-Q478 WeakPolarHBondContact CG2-O 3.44Å; V270-Q478 PolarHBondContact N-O 3.48Å; V270-Q478 PolarHBondContact O-N 2.91Å; A458-Q478 HydrophobicContact CB-CG 4.47Å; A458-Q478 CarbonylContact O-C 3.59Å; A458-Q478 WeakPolarHBondContact O-CA 3.12Å; V461-Q478 HydrophobicContact CG2-CB 4.24Å; L470-Q478 HydrophobicContact CD1-CG 4.47Å; N471-Q478 PolarHBondContact OD1-NE2 3.09Å; N471-Q478 VanDerWaalsContact OD1-NE2 3.09Å; I475-Q478 HydrophobicContact CG2-CG 4.39Å; I475-Q478 PolarHBondContact O-NE2 3.49Å; Q478-F483 HydrophobicContact CB-CE2 3.89Å; Q478-F483 HydrophobicContact CB-CZ 4.38Å
479Q94.9Very high93.4Very high4 Ų446.4 Ų46.42%0.01922%0.215CC..  trans-144142.2-177.2-159.7-144.851.400109Q267 P268 V269 E281 A458 E459 G460 V461Q267-Q479 VanDerWaalsContact CB-NE2 3.35Å; Q267-Q479 VanDerWaalsContact CD-OE1 3.3Å; Q267-Q479 VanDerWaalsContact CG-CD 3.48Å; Q267-Q479 HydrophobicContact CG-CG 3.73Å; Q267-Q479 VanDerWaalsContact CG-NE2 3.32Å; Q267-Q479 VanDerWaalsContact NE2-CD 3.3Å; Q267-Q479 PolarHBondContact O-NE2 2.98Å; P268-Q479 VanDerWaalsContact O-CG 3.29Å; P268-Q479 WeakPolarHBondContact O-CG 3.5Å; V269-Q479 HydrophobicContact CG2-CB 4.44Å; V269-Q479 HydrophobicContact CG2-CG 4.19Å; E281-Q479 PolarHBondContact OE2-NE2 3.01Å; A458-Q479 PolarHBondContact O-N 2.62Å; E459-Q479 CarbonylContact C-O 3.54Å; E459-Q479 VanDerWaalsContact C-O 3.32Å; E459-Q479 WeakPolarHBondContact CA-O 2.98Å; G460-Q479 PolarHBondContact N-O 3.41Å; V461-Q479 PolarHBondContact N-O 3.01Å
480G94.6Very high93.6Very high0 Ų049.8 Ų49.80%023%0.234CC..SBendtrans156172.2-179.900000113.6V461 Y482 F483 Y484V461-G480 CarbonylContact O-C 3.57Å; V461-G480 VanDerWaalsContact O-CA 3.32Å; V461-G480 WeakPolarHBondContact O-CA 3.36Å; G480-Y482 PolarHBondContact O-N 2.87Å; G480-F483 PolarHBondContact O-N 2.04Å; G480-Y484 CarbonylContact C-O 3.57Å; G480-Y484 CarbonylContact O-C 3.55Å; G480-Y484 PolarHBondContact O-N 3.19Å; G480-Y484 VanDerWaalsContact O-O 3.06Å
481Y95.2Very high93.8Very high120 Ų12052.4 Ų52.447%0.47125%0.249SC..THydrogen-bonded Turntrans-71.1-17.3-172.2-73.28.6000113.9V461 F483 K485V461-Y481 PolarHBondContact O-N 3.26Å; V461-Y481 VanDerWaalsContact O-N 3.07Å; Y481-F483 PolarHBondContact O-N 2.89Å; Y481-K485 HydrophobicContact CD1-CB 4.19Å; Y481-K485 HydrophobicContact CD1-CG 3.64Å; Y481-K485 HydrophobicContact CD2-CD 4.34Å; Y481-K485 HydrophobicContact CD2-CG 4.09Å; Y481-K485 HydrophobicContact CE1-CB 4.08Å; Y481-K485 HydrophobicContact CE1-CG 3.81Å; Y481-K485 HydrophobicContact CE2-CD 4.29Å; Y481-K485 HydrophobicContact CE2-CG 4.24Å; Y481-K485 HydrophobicContact CG-CG 3.78Å
482Y93.7Very high94Very high102 Ų10251.4 Ų51.440%0.424%0.243SC..THydrogen-bonded Turntrans-56.5-36.6167.5-175.3-94.2000111.3V461 K464 L467 G480V461-Y482 WeakPolarHBondContact O-CB 3.26Å; V461-Y482 PolarHBondContact O-N 2.75Å; K464-Y482 HydrophobicContact CB-CE2 4.25Å; L467-Y482 HydrophobicContact CD2-CD1 4.08Å; L467-Y482 HydrophobicContact CD2-CE1 3.42Å; L467-Y482 VanDerWaalsContact CD2-CE1 3.42Å; G480-Y482 PolarHBondContact O-N 2.87Å
483F93.3Very high94.2Very high37 Ų3746.1 Ų46.116%0.16222%0.22CC..THydrogen-bonded Turntrans-95.5-66.9177.4-54.4-73.8000111.3V270 V461 L467 Q478 G480 Y481V270-F483 HydrophobicContact CG2-CB 4.24Å; V270-F483 HydrophobicContact CG2-CD1 3.62Å; V270-F483 HydrophobicContact CG2-CD2 3.67Å; V270-F483 HydrophobicContact CG2-CE1 3.69Å; V270-F483 HydrophobicContact CG2-CE2 3.75Å; V270-F483 HydrophobicContact CG2-CG 3.58Å; V270-F483 HydrophobicContact CG2-CZ 3.73Å; V461-F483 HydrophobicContact CB-CE2 4.1Å; V461-F483 HydrophobicContact CG1-CE2 4.12Å; V461-F483 HydrophobicContact CG2-CE2 4.46Å; L467-F483 HydrophobicContact CD1-CE1 4.41Å; L467-F483 HydrophobicContact CD1-CE2 4.47Å; L467-F483 HydrophobicContact CD1-CZ 3.62Å; L467-F483 HydrophobicContact CD2-CZ 4.37Å; Q478-F483 HydrophobicContact CB-CE2 3.89Å; Q478-F483 HydrophobicContact CB-CZ 4.38Å; G480-F483 PolarHBondContact O-N 2.04Å; Y481-F483 PolarHBondContact O-N 2.89Å
484Y94.2Very high94.4Very high51 Ų5150.1 Ų50.120%0.224%0.236CC..  trans-152.4133.2-171.3-59.9-76.2000111P268 V270 G480 I495 K499P268-Y484 HydrophobicContact CB-CD2 3.54Å; P268-Y484 HydrophobicContact CB-CE2 4.3Å; P268-Y484 HydrophobicContact CB-CG 3.93Å; P268-Y484 HydrophobicContact CG-CD1 4.46Å; P268-Y484 HydrophobicContact CG-CD2 3.87Å; P268-Y484 HydrophobicContact CG-CG 3.74Å; V270-Y484 HydrophobicContact CG1-CD2 4.21Å; V270-Y484 HydrophobicContact CG1-CE2 4.01Å; G480-Y484 CarbonylContact C-O 3.57Å; G480-Y484 CarbonylContact O-C 3.55Å; G480-Y484 PolarHBondContact O-N 3.19Å; G480-Y484 VanDerWaalsContact O-O 3.06Å; Y484-I495 HydrophobicContact CD1-CD1 3.5Å; Y484-I495 HydrophobicContact CD1-CG1 4.11Å; Y484-I495 HydrophobicContact CE1-CD1 3.74Å; Y484-I495 HydrophobicContact CE1-CG1 3.81Å; Y484-I495 HydrophobicContact CE1-CG2 3.92Å; Y484-I495 HydrophobicContact CE2-CG2 4.33Å; Y484-I495 HydrophobicContact CG-CD1 4.22Å; Y484-K499 WeakPolarHBondContact OH-CE 3.36Å
485K95.3Very high94.6Very high129 Ų12945.3 Ų45.356%0.56121%0.21SC*.  trans-71.3163.4162.5-62.6-173175.7-178.80109.8Y481 V487Y481-K485 HydrophobicContact CD1-CB 4.19Å; Y481-K485 HydrophobicContact CD1-CG 3.64Å; Y481-K485 HydrophobicContact CD2-CD 4.34Å; Y481-K485 HydrophobicContact CD2-CG 4.09Å; Y481-K485 HydrophobicContact CE1-CB 4.08Å; Y481-K485 HydrophobicContact CE1-CG 3.81Å; Y481-K485 HydrophobicContact CE2-CD 4.29Å; Y481-K485 HydrophobicContact CE2-CG 4.24Å; Y481-K485 HydrophobicContact CG-CG 3.78Å; K485-V487 VanDerWaalsContact O-CG1 3.32Å; K485-V487 WeakPolarHBondContact O-CG1 3.49Å; K485-V487 PolarHBondContact O-N 2.97Å
486P95.6Very high94.6Very high20 Ų2045.6 Ų45.613%0.1321%0.211CC..  trans-50.5123.2163.1-2631.2000110.9F265 Q267 L283F265-P486 HydrophobicContact CB-CB 4.36Å; F265-P486 HydrophobicContact CD1-CB 4.28Å; Q267-P486 HydrophobicContact CB-CB 4.46Å; Q267-P486 HydrophobicContact CB-CG 4.26Å; Q267-P486 HydrophobicContact CG-CG 4.35Å; L283-P486 HydrophobicContact CD1-CB 3.97Å; L283-P486 HydrophobicContact CD1-CG 3.62Å
487V96.3Very high94.6Very high24 Ų2449.7 Ų49.715%0.14523%0.232CC..BIsolated β-bridgetrans-115.7159.7-176.5-67.40000112.3F265 Y266 K485 D491 L492 I495F265-V487 CarbonylContact C-O 3.43Å; F265-V487 WeakPolarHBondContact CA-O 3.11Å; Y266-V487 PolarHBondContact N-O 3.36Å; Y266-V487 WeakPolarHBondContact O-CG2 3.07Å; Y266-V487 PolarHBondContact O-N 2.96Å; K485-V487 VanDerWaalsContact O-CG1 3.32Å; K485-V487 WeakPolarHBondContact O-CG1 3.49Å; K485-V487 PolarHBondContact O-N 2.97Å; V487-D491 HydrophobicContact CB-CB 3.86Å; V487-D491 HydrophobicContact CG1-CB 4.28Å; V487-D491 HydrophobicContact CG2-CB 4.43Å; V487-L492 HydrophobicContact CG2-CB 4Å; V487-I495 HydrophobicContact CG1-CD1 4.1Å; V487-I495 HydrophobicContact CG2-CD1 3.97Å
488T96.3Very high94.3Very high39 Ų3953.2 Ų53.224%0.23926%0.258CS..  trans-67.8162170.970.70000110.7F265 I490 D491 L492F265-T488 HydrophobicContact CE1-CG2 4.04Å; F265-T488 HydrophobicContact CE2-CG2 4.13Å; F265-T488 HydrophobicContact CZ-CG2 3.65Å; T488-I490 VanDerWaalsContact C-N 3.25Å; T488-I490 PolarHBondContact O-N 3.26Å; T488-D491 PolarHBondContact O-N 2.95Å; T488-D491 VanDerWaalsContact O-N 3.13Å; T488-D491 PolarHBondContact OG1-N 3.3Å; T488-D491 PolarHBondContact OG1-OD2 3.49Å; T488-L492 PolarHBondContact O-N 3.18Å
489Y96.4Very high93.6Very high51 Ų5156.8 Ų56.820%0.227%0.273CS..Hα-helixtrans-48.3-47.1171172.1-116.4000112.8Y266 Q323 A326 I327 D491 L492 V493Y266-Y489 HydrophobicContact CE2-CD2 4.28Å; Q323-Y489 HydrophobicContact CB-CD2 3.68Å; Q323-Y489 HydrophobicContact CB-CE2 3.63Å; Q323-Y489 HydrophobicContact CB-CG 4.35Å; Q323-Y489 HydrophobicContact CG-CD1 4.4Å; Q323-Y489 HydrophobicContact CG-CD2 3.93Å; Q323-Y489 HydrophobicContact CG-CE2 4.11Å; Q323-Y489 HydrophobicContact CG-CG 4.08Å; Q323-Y489 WeakPolarHBondContact O-CE2 3.46Å; Q323-Y489 PolarHBondContact O-OH 2.82Å; A326-Y489 WeakPolarHBondContact CB-OH 3.47Å; I327-Y489 HydrophobicContact CD1-CE2 4.16Å; I327-Y489 HydrophobicContact CG2-CE2 4.37Å; I327-Y489 WeakPolarHBondContact CG2-OH 3.32Å; Y489-D491 VanDerWaalsContact C-N 3.32Å; Y489-D491 PolarHBondContact O-N 3.35Å; Y489-L492 WeakPolarHBondContact O-CB 3.49Å; Y489-L492 PolarHBondContact O-N 2.93Å; Y489-V493 HydrophobicContact CD2-CG2 4.33Å; Y489-V493 HydrophobicContact CE1-CG2 4.42Å; Y489-V493 HydrophobicContact CE2-CG2 3.89Å; Y489-V493 WeakPolarHBondContact O-CG2 3.36Å; Y489-V493 PolarHBondContact O-N 2.89Å
490I95.9Very high92.7Very high102 Ų10260.9 Ų60.952%0.52330%0.3SS..Hα-helixtrans-63.6-39.8-177.7-63.7-60.1000111.7T488 V493 K494T488-I490 VanDerWaalsContact C-N 3.25Å; T488-I490 PolarHBondContact O-N 3.26Å; I490-V493 PolarHBondContact O-N 3.1Å; I490-K494 PolarHBondContact O-N 3.49Å
491D96.4Very high91.4Very high56 Ų5666.8 Ų66.830%0.29933%0.326SS..Hα-helixtrans-74.5-32.7179-64.1-43.1000111.9V487 T488 Y489 V493 K494 I495V487-D491 HydrophobicContact CB-CB 3.86Å; V487-D491 HydrophobicContact CG1-CB 4.28Å; V487-D491 HydrophobicContact CG2-CB 4.43Å; T488-D491 PolarHBondContact O-N 2.95Å; T488-D491 VanDerWaalsContact O-N 3.13Å; T488-D491 PolarHBondContact OG1-N 3.3Å; T488-D491 PolarHBondContact OG1-OD2 3.49Å; Y489-D491 VanDerWaalsContact C-N 3.32Å; Y489-D491 PolarHBondContact O-N 3.35Å; D491-V493 VanDerWaalsContact C-N 3.32Å; D491-V493 PolarHBondContact O-N 3.21Å; D491-K494 WeakPolarHBondContact O-CB 3.17Å; D491-K494 PolarHBondContact O-N 2.88Å; D491-K494 IonicContact OD1-NZ 3.56Å; D491-K494 PolarHBondContact OD1-NZ 2.86Å; D491-I495 WeakPolarHBondContact O-CG1 3.44Å; D491-I495 PolarHBondContact O-N 3.46Å
492L96.3Very high90.5Very high0 Ų063.2 Ų63.20%032%0.316CS..Hα-helixtrans-58-45.4168.5175.866.3000111Y266 P268 V280 M324 V487 T488 Y489 K494 I495 I496Y266-L492 HydrophobicContact CD1-CD2 4.16Å; Y266-L492 HydrophobicContact CD2-CB 4.38Å; Y266-L492 HydrophobicContact CD2-CD2 3.78Å; Y266-L492 HydrophobicContact CE2-CD2 4.42Å; Y266-L492 HydrophobicContact CG-CD2 3.62Å; P268-L492 HydrophobicContact CG-CD1 4.47Å; V280-L492 HydrophobicContact CG1-CD1 3.57Å; V280-L492 HydrophobicContact CG1-CD2 4.03Å; V280-L492 HydrophobicContact CG1-CG 4.46Å; M324-L492 HydrophobicContact CE-CD2 3.72Å; V487-L492 HydrophobicContact CG2-CB 4Å; T488-L492 PolarHBondContact O-N 3.18Å; Y489-L492 WeakPolarHBondContact O-CB 3.49Å; Y489-L492 PolarHBondContact O-N 2.93Å; L492-K494 VanDerWaalsContact C-N 3.28Å; L492-K494 PolarHBondContact O-N 3.07Å; L492-I495 PolarHBondContact O-N 3.23Å; L492-I495 VanDerWaalsContact O-N 3.11Å; L492-I496 HydrophobicContact CD1-CD1 3.98Å; L492-I496 HydrophobicContact CD1-CG1 4.18Å; L492-I496 HydrophobicContact CD2-CD1 4.21Å; L492-I496 HydrophobicContact CG-CD1 3.71Å; L492-I496 HydrophobicContact CG-CG1 4.35Å; L492-I496 WeakPolarHBondContact O-CG1 3.28Å; L492-I496 PolarHBondContact O-N 3.2Å
493V95.2Very high89.7Confident32 Ų3263.9 Ų63.919%0.19432%0.321CS..Hα-helixtrans-58.4-42176.9178.10000111.1I327 Y489 I490 D491 I495 I496 L497I327-V493 HydrophobicContact CD1-CG2 4.18Å; I327-V493 HydrophobicContact CG2-CG1 4.48Å; I327-V493 HydrophobicContact CG2-CG2 3.76Å; Y489-V493 HydrophobicContact CD2-CG2 4.33Å; Y489-V493 HydrophobicContact CE1-CG2 4.42Å; Y489-V493 HydrophobicContact CE2-CG2 3.89Å; Y489-V493 WeakPolarHBondContact O-CG2 3.36Å; Y489-V493 PolarHBondContact O-N 2.89Å; I490-V493 PolarHBondContact O-N 3.1Å; D491-V493 VanDerWaalsContact C-N 3.32Å; D491-V493 PolarHBondContact O-N 3.21Å; V493-I495 PolarHBondContact O-N 2.97Å; V493-I496 PolarHBondContact O-N 3.34Å; V493-L497 HydrophobicContact CG1-CD1 3.89Å; V493-L497 HydrophobicContact CG1-CG 4.38Å; V493-L497 VanDerWaalsContact O-CG 3.26Å; V493-L497 WeakPolarHBondContact O-CG 3.48Å; V493-L497 PolarHBondContact O-N 3.32Å
494K94.3Very high88.7Confident125 Ų12562.4 Ų62.454%0.54332%0.315SS..Hα-helixtrans-61.6-43175.5-64.7172.3-167.9158.90111.8I490 D491 L492 L497 S498I490-K494 PolarHBondContact O-N 3.49Å; D491-K494 WeakPolarHBondContact O-CB 3.17Å; D491-K494 PolarHBondContact O-N 2.88Å; D491-K494 IonicContact OD1-NZ 3.56Å; D491-K494 PolarHBondContact OD1-NZ 2.86Å; L492-K494 VanDerWaalsContact C-N 3.28Å; L492-K494 PolarHBondContact O-N 3.07Å; K494-L497 PolarHBondContact O-N 3.49Å; K494-S498 WeakPolarHBondContact O-CB 3.42Å; K494-S498 PolarHBondContact O-N 3.04Å
495I92.7Very high87.6Confident19 Ų1964.3 Ų64.310%0.09733%0.332CS..Hα-helixtrans-61.7-49.5178.3-67.5164.9000110.2P268 Y484 V487 D491 L492 V493 L497 S498 K499P268-I495 HydrophobicContact CG-CD1 4.07Å; Y484-I495 HydrophobicContact CD1-CD1 3.5Å; Y484-I495 HydrophobicContact CD1-CG1 4.11Å; Y484-I495 HydrophobicContact CE1-CD1 3.74Å; Y484-I495 HydrophobicContact CE1-CG1 3.81Å; Y484-I495 HydrophobicContact CE1-CG2 3.92Å; Y484-I495 HydrophobicContact CE2-CG2 4.33Å; Y484-I495 HydrophobicContact CG-CD1 4.22Å; V487-I495 HydrophobicContact CG1-CD1 4.1Å; V487-I495 HydrophobicContact CG2-CD1 3.97Å; D491-I495 WeakPolarHBondContact O-CG1 3.44Å; D491-I495 PolarHBondContact O-N 3.46Å; L492-I495 PolarHBondContact O-N 3.23Å; L492-I495 VanDerWaalsContact O-N 3.11Å; V493-I495 PolarHBondContact O-N 2.97Å; I495-L497 VanDerWaalsContact C-N 3.28Å; I495-L497 PolarHBondContact O-N 3.34Å; I495-S498 PolarHBondContact O-N 3.19Å; I495-S498 PolarHBondContact O-OG 3.25Å; I495-K499 PolarHBondContact O-N 2.93Å
496I91.5Very high86.1Confident13 Ų1361.2 Ų61.27%0.06732%0.324CS..Hα-helixtrans-57-42.6179-69.8164000111.1L277 I327 K330 L331 L492 V493 S498L277-I496 HydrophobicContact CD2-CG1 3.56Å; I327-I496 HydrophobicContact CD1-CD1 3.64Å; K330-I496 HydrophobicContact CB-CG2 3.94Å; K330-I496 WeakPolarHBondContact O-CG2 3.35Å; L331-I496 HydrophobicContact CD2-CD1 3.74Å; L492-I496 HydrophobicContact CD1-CD1 3.98Å; L492-I496 HydrophobicContact CD1-CG1 4.18Å; L492-I496 HydrophobicContact CD2-CD1 4.21Å; L492-I496 HydrophobicContact CG-CD1 3.71Å; L492-I496 HydrophobicContact CG-CG1 4.35Å; L492-I496 WeakPolarHBondContact O-CG1 3.28Å; L492-I496 PolarHBondContact O-N 3.2Å; V493-I496 PolarHBondContact O-N 3.34Å; I496-S498 VanDerWaalsContact C-N 3.28Å; I496-S498 PolarHBondContact O-N 3.03Å
497L89Confident84.3Confident111 Ų11168 Ų6858%0.58135%0.354SS*.Hα-helixtrans-73.3-19.1179.5-66.1174000113.6K330 V493 K494 I495K330-L497 HydrophobicContact CD-CD2 4.08Å; K330-L497 HydrophobicContact CG-CD2 4.27Å; V493-L497 HydrophobicContact CG1-CD1 3.89Å; V493-L497 HydrophobicContact CG1-CG 4.38Å; V493-L497 VanDerWaalsContact O-CG 3.26Å; V493-L497 WeakPolarHBondContact O-CG 3.48Å; V493-L497 PolarHBondContact O-N 3.32Å; K494-L497 PolarHBondContact O-N 3.49Å; I495-L497 VanDerWaalsContact C-N 3.28Å; I495-L497 PolarHBondContact O-N 3.34Å
498S88Confident83.7Confident83 Ų8370.3 Ų70.358%0.5836%0.364SS*.Hα-helixtrans-87.2-9.8179.874.10000114.3K494 I495 I496K494-S498 WeakPolarHBondContact O-CB 3.42Å; K494-S498 PolarHBondContact O-N 3.04Å; I495-S498 PolarHBondContact O-N 3.19Å; I495-S498 PolarHBondContact O-OG 3.25Å; I496-S498 VanDerWaalsContact C-N 3.28Å; I496-S498 PolarHBondContact O-N 3.03Å
499K80.6Confident83Confident75 Ų7571.9 Ų71.933%0.32637%0.371SS..SBendtrans-117.4148.3-173.1-67.3-68.4-174.6162.60111.7G275 Y484 I495G275-K499 PolarHBondContact O-NZ 3.03Å; Y484-K499 WeakPolarHBondContact OH-CE 3.36Å; I495-K499 PolarHBondContact O-N 2.93Å
500P75.1Confident82.3Confident89 Ų8973.1 Ų73.158%0.57838%0.381SS*.  trans-66.1145.7172.228.8-33.5000110.3
501K68.9Low81.5Confident124 Ų12471.4 Ų71.454%0.53937%0.372SS..  trans-77.6124.2172.5-64.8-175.6179.6-168.30109.5S329 K330S329-K501 PolarHBondContact O-NZ 3.45Å; K330-K501 VanDerWaalsContact O-CE 3.27Å; K330-K501 WeakPolarHBondContact O-CE 3.44Å
502V75.3Confident80.5Confident45 Ų4572.3 Ų72.327%0.27338%0.377SS..  trans-126.1128.8173.3-1770000107.8T276 P332 V504T276-V502 HydrophobicContact CG2-CB 4.32Å; T276-V502 HydrophobicContact CG2-CG2 3.58Å; P332-V502 WeakPolarHBondContact CB-O 3.23Å; V502-V504 PolarHBondContact O-N 2.77Å
503K76.2Confident79.5Confident116 Ų11677.1 Ų77.150%0.50440%0.402SS..  trans-57.2127.9175.7177.3170.6177.1155.80108.9R278 E333 V505R278-K503 PolarHBondContact NH1-O 2.82Å; E333-K503 HydrophobicContact CB-CG 4.2Å; E333-K503 HydrophobicContact CG-CD 4.32Å; E333-K503 HydrophobicContact CG-CG 4.2Å; E333-K503 VanDerWaalsContact OE1-CE 3.22Å; E333-K503 WeakPolarHBondContact OE1-CE 3.35Å; E333-K503 IonicContact OE1-NZ 3.02Å; E333-K503 PolarHBondContact OE1-NZ 2.89Å; E333-K503 IonicContact OE2-NZ 3.52Å; K503-V505 HydrophobicContact CG-CG2 4.45Å
504V74.1Confident78.4Confident6 Ų680.4 Ų80.44%0.03642%0.417CS..  trans-90.4129177.4-169.90000107.7R278 P332 E333 G334 F477 V502R278-V504 HydrophobicContact CB-CG1 4.08Å; R278-V504 HydrophobicContact CB-CG2 4.26Å; P332-V504 HydrophobicContact CB-CG2 4.24Å; E333-V504 PolarHBondContact O-N 3.49Å; G334-V504 WeakPolarHBondContact O-CB 3.44Å; F477-V504 HydrophobicContact CE1-CG1 4Å; F477-V504 HydrophobicContact CZ-CG1 4.23Å; V502-V504 PolarHBondContact O-N 2.77Å
505V70.7Confident77.1Confident91 Ų9176.9 Ų76.955%0.55241%0.407SS*.  trans-118.4133.6175.4-175.50000105.7K503 E507K503-V505 HydrophobicContact CG-CG2 4.45Å; V505-E507 PolarHBondContact O-N 3.44Å
506V62.4Low75.8Confident65 Ų6581.8 Ų81.839%0.39443%0.433SS..  trans-69.8111.2167.9173.10000105.8N368 Y421N368-V506 WeakPolarHBondContact ND2-CG2 3.49Å; Y421-V506 HydrophobicContact CE2-CG1 4.23Å; Y421-V506 VanDerWaalsContact OH-CG1 3.28Å; Y421-V506 WeakPolarHBondContact OH-CG1 3.41Å; Y421-V506 WeakPolarHBondContact OH-CG2 3.42Å
507E58.3Low74.4Confident163 Ų16388 Ų8876%0.76247%0.466SS*.  trans-76.40174.9-73.7-178.4165.900111.3S455 T476 V505S455-E507 PolarHBondContact OG-O 2.74Å; T476-E507 WeakPolarHBondContact CB-OE2 3.25Å; T476-E507 PolarHBondContact OG1-OE2 2.88Å; V505-E507 PolarHBondContact O-N 3.44Å

Retrieved 507 of 507 residues in 905 ms (Link to these results)

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