A0A077YXE2_TRITR Loading...

tRNA pseudouridine(55) synthase

AlphaFold DB , UniProt , Accession A0A077YXE2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 419 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
1M27.8Very low37.7Very low210 Ų210136.8 Ų136.8100%1.03463%0.629SS**  0-41.70-88178.6-176.600113.1F3 K4M1-F3 PolarHBondContact O-N 3.41Å; M1-F3 VanDerWaalsContact O-N 3.12Å; M1-K4 PolarHBondContact O-N 3.04Å; M1-K4 VanDerWaalsContact O-N 3.07Å
2L28.2Very low39.5Very low109 Ų109130.2 Ų130.257%0.57161%0.608SS**THydrogen-bonded Turntrans-51.6-28.7175.4-94.9141.9000116.1W59L2-W59 HydrophobicContact CD2-CH2 3.32Å; L2-W59 HydrophobicContact CD2-CZ3 3.39Å; L2-W59 HydrophobicContact CG-CH2 4.2Å
3F31.7Very low41.4Very low162 Ų162127.8 Ų127.871%0.71160%0.597SS**THydrogen-bonded Turntrans-99-6.4179.6-78.4-85.7000114.8M1 W6M1-F3 PolarHBondContact O-N 3.41Å; M1-F3 VanDerWaalsContact O-N 3.12Å; F3-W6 AromaticContact CD1-NE1 3.94Å
4K29.5Very low43.3Very low196 Ų196123.5 Ų123.585%0.85259%0.588SS**SBendtrans-92.4-5.3-174.6-85.3-169173-174.10114.5M1M1-K4 PolarHBondContact O-N 3.04Å; M1-K4 VanDerWaalsContact O-N 3.07Å
5T35.1Very low45Very low85 Ų85115.8 Ų115.852%0.52155%0.552SS.*  trans-107.744.6174.444.50000111.3E7 R8T5-E7 PolarHBondContact O-N 3.42Å; T5-R8 PolarHBondContact O-N 3.47Å
6W36.6Very low46.8Very low162 Ų162110.9 Ų110.961%0.61453%0.528SS*.G310 helixtrans-70.1-4.7179.8-109.230.4000114.6F3 R8 W9F3-W6 AromaticContact CD1-NE1 3.94Å; W6-R8 PolarHBondContact O-N 3.26Å; W6-W9 AromaticContact CE2-NE1 3.91Å; W6-W9 WeakPolarHBondContact O-CB 3.49Å; W6-W9 PolarHBondContact O-N 3.02Å
7E37.3Very low48.8Very low184 Ų184106.1 Ų106.186%0.8652%0.515SS*.G310 helixtrans-60-12.5166.8-71.8-177.9155.200112.9T5 W9 T10T5-E7 PolarHBondContact O-N 3.42Å; E7-W9 VanDerWaalsContact C-N 3.31Å; E7-W9 PolarHBondContact O-N 3.31Å; E7-T10 PolarHBondContact O-OG1 2.81Å
8R44.7Very low50.6Low125 Ų125105.6 Ų105.647%0.47251%0.511SS..G310 helixtrans-77.9-2.5171.3-67.8-178.7177.7174.92115T5 W6 T10 F11T5-R8 PolarHBondContact O-N 3.47Å; W6-R8 PolarHBondContact O-N 3.26Å; R8-T10 PolarHBondContact O-N 2.95Å; R8-F11 WeakPolarHBondContact O-CB 3.48Å; R8-F11 PolarHBondContact O-N 3.47Å; R8-F11 VanDerWaalsContact O-N 3.17Å
9W42.7Very low52.5Low128 Ų128100.1 Ų100.149%0.48549%0.485SS..Hα-helixtrans-59.2-32.1175.7-117.371.9000112.2W6 E7 F11 C12 E13W6-W9 AromaticContact CE2-NE1 3.91Å; W6-W9 WeakPolarHBondContact O-CB 3.49Å; W6-W9 PolarHBondContact O-N 3.02Å; E7-W9 VanDerWaalsContact C-N 3.31Å; E7-W9 PolarHBondContact O-N 3.31Å; W9-F11 PolarHBondContact O-N 3.44Å; W9-F11 VanDerWaalsContact O-N 3.14Å; W9-C12 CarbonylContact O-C 3.52Å; W9-C12 WeakPolarHBondContact O-CA 3.44Å; W9-C12 WeakPolarHBondContact O-CB 3.26Å; W9-C12 PolarHBondContact O-N 3.37Å; W9-E13 HydrophobicContact CE3-CG 3.57Å; W9-E13 HydrophobicContact CZ3-CG 4.08Å; W9-E13 WeakPolarHBondContact O-CB 3.48Å; W9-E13 WeakPolarHBondContact O-CG 3.32Å; W9-E13 PolarHBondContact O-N 3.27Å
10T48.7Very low54.2Low93 Ų9395.7 Ų95.757%0.57146%0.464SS*.Hα-helixtrans-53.6-35.7175.451.30000113.5E7 R8 S14E7-T10 PolarHBondContact O-OG1 2.81Å; R8-T10 PolarHBondContact O-N 2.95Å; T10-S14 WeakPolarHBondContact O-CB 3.17Å; T10-S14 PolarHBondContact O-N 2.89Å
11F52.9Low55.8Low51 Ų5194.5 Ų94.522%0.22447%0.465CS..Hα-helixtrans-69.1-45.6176.2173.9-102.7000112.1R8 W9 T15 F91 P147 C148 V150R8-F11 WeakPolarHBondContact O-CB 3.48Å; R8-F11 PolarHBondContact O-N 3.47Å; R8-F11 VanDerWaalsContact O-N 3.17Å; W9-F11 PolarHBondContact O-N 3.44Å; W9-F11 VanDerWaalsContact O-N 3.14Å; F11-T15 VanDerWaalsContact O-CB 3.32Å; F11-T15 WeakPolarHBondContact O-CB 3.35Å; F11-T15 PolarHBondContact O-N 3.22Å; F11-T15 VanDerWaalsContact O-N 3.15Å; F11-T15 PolarHBondContact O-OG1 2.96Å; F11-F91 HydrophobicContact CE1-CD1 4.28Å; F11-F91 AromaticContact CE1-CE1 3.96Å; F11-F91 HydrophobicContact CE1-CE1 3.96Å; F11-F91 AromaticContact CZ-CD1 3.72Å; F11-F91 HydrophobicContact CZ-CD1 3.72Å; F11-F91 AromaticContact CZ-CE1 3.71Å; F11-F91 HydrophobicContact CZ-CE1 3.71Å; F11-P147 HydrophobicContact CD2-CB 3.82Å; F11-P147 HydrophobicContact CE2-CB 4.44Å; F11-C148 HydrophobicContact CE2-CB 3.82Å; F11-C148 VanDerWaalsContact CE2-O 3.29Å; F11-C148 WeakPolarHBondContact CE2-O 3.29Å; F11-C148 HydrophobicContact CZ-CB 3.82Å; F11-V150 HydrophobicContact CE2-CG2 3.74Å; F11-V150 HydrophobicContact CZ-CG2 3.61Å
12C58.3Low58.6Low57 Ų5786.6 Ų86.639%0.38543%0.43SS..Hα-helixtrans-63.5-43.8173.9-72.40000110.2W9 T15 F16W9-C12 CarbonylContact O-C 3.52Å; W9-C12 WeakPolarHBondContact O-CA 3.44Å; W9-C12 WeakPolarHBondContact O-CB 3.26Å; W9-C12 PolarHBondContact O-N 3.37Å; C12-T15 PolarHBondContact O-N 2.9Å; C12-F16 WeakPolarHBondContact O-CA 3.17Å; C12-F16 WeakPolarHBondContact O-CB 3.34Å; C12-F16 PolarHBondContact O-N 2.83Å
13E64.3Low61.5Low99 Ų9981.9 Ų81.946%0.46341%0.406SS..Hα-helixtrans-61.2-47.7179.1-75.7179.7159.700112.7W9 G17W9-E13 HydrophobicContact CE3-CG 3.57Å; W9-E13 HydrophobicContact CZ3-CG 4.08Å; W9-E13 WeakPolarHBondContact O-CB 3.48Å; W9-E13 WeakPolarHBondContact O-CG 3.32Å; W9-E13 PolarHBondContact O-N 3.27Å; E13-G17 WeakPolarHBondContact O-CA 3.31Å; E13-G17 PolarHBondContact O-N 3.2Å
14S68.1Low64.2Low68 Ų6880.7 Ų80.748%0.47640%0.403SS..Hα-helixtrans-65-46.7179.1178.40000111.4T10 G17 Q18T10-S14 WeakPolarHBondContact O-CB 3.17Å; T10-S14 PolarHBondContact O-N 2.89Å; S14-G17 PolarHBondContact O-N 2.96Å; S14-Q18 WeakPolarHBondContact O-CG 3.25Å; S14-Q18 PolarHBondContact O-N 3.11Å
15T68.5Low67.1Low8 Ų875.3 Ų75.35%0.04939%0.394CS..Hα-helixtrans-63-46.2179.6-59.90000111F11 C12 Q18 L19 F91 V150F11-T15 VanDerWaalsContact O-CB 3.32Å; F11-T15 WeakPolarHBondContact O-CB 3.35Å; F11-T15 PolarHBondContact O-N 3.22Å; F11-T15 VanDerWaalsContact O-N 3.15Å; F11-T15 PolarHBondContact O-OG1 2.96Å; C12-T15 PolarHBondContact O-N 2.9Å; T15-Q18 PolarHBondContact O-N 3.45Å; T15-L19 PolarHBondContact O-N 2.72Å; T15-F91 HydrophobicContact CG2-CE1 4.17Å; T15-F91 HydrophobicContact CG2-CZ 4.32Å; T15-V150 HydrophobicContact CG2-CB 3.79Å; T15-V150 HydrophobicContact CG2-CG1 3.49Å; T15-V150 VanDerWaalsContact CG2-CG1 3.49Å; T15-V150 HydrophobicContact CG2-CG2 3.83Å; T15-V150 VanDerWaalsContact OG1-CG2 3.26Å; T15-V150 WeakPolarHBondContact OG1-CG2 3.24Å
16F75.3Confident69.8Low37 Ų3774.3 Ų74.316%0.16238%0.384CS..Hα-helixtrans-66.3-42.8179.2-178.6-114.2000111.3C12 Q18 L19 M20 L70 Q74C12-F16 WeakPolarHBondContact O-CA 3.17Å; C12-F16 WeakPolarHBondContact O-CB 3.34Å; C12-F16 PolarHBondContact O-N 2.83Å; F16-Q18 VanDerWaalsContact C-N 3.31Å; F16-Q18 PolarHBondContact O-N 3.32Å; F16-L19 PolarHBondContact O-N 3.48Å; F16-L19 VanDerWaalsContact O-N 3.16Å; F16-M20 HydrophobicContact CD1-CG 3.95Å; F16-M20 HydrophobicContact CD2-CE 3.85Å; F16-M20 HydrophobicContact CD2-CG 3.89Å; F16-M20 HydrophobicContact CD2-SD 4.32Å; F16-M20 HydrophobicContact CE1-CG 3.69Å; F16-M20 HydrophobicContact CE1-SD 4.44Å; F16-M20 HydrophobicContact CE2-CE 3.44Å; F16-M20 VanDerWaalsContact CE2-CE 3.44Å; F16-M20 HydrophobicContact CE2-CG 3.57Å; F16-M20 HydrophobicContact CE2-SD 3.56Å; F16-M20 VanDerWaalsContact CE2-SD 3.56Å; F16-M20 HydrophobicContact CG-CG 4.08Å; F16-M20 HydrophobicContact CZ-CE 4.22Å; F16-M20 HydrophobicContact CZ-CG 3.55Å; F16-M20 HydrophobicContact CZ-SD 3.72Å; F16-M20 WeakPolarHBondContact O-CB 3.38Å; F16-M20 VanDerWaalsContact O-CG 3.26Å; F16-M20 WeakPolarHBondContact O-CG 3.3Å; F16-M20 PolarHBondContact O-N 3.4Å; F16-L70 HydrophobicContact CD2-CB 4.08Å; F16-L70 HydrophobicContact CD2-CD1 4.19Å; F16-L70 HydrophobicContact CE2-CB 3.45Å; F16-L70 VanDerWaalsContact CE2-CB 3.45Å; F16-L70 HydrophobicContact CE2-CD1 4.3Å; F16-L70 HydrophobicContact CE2-CD2 4.42Å; F16-L70 HydrophobicContact CE2-CG 4.28Å; F16-L70 HydrophobicContact CZ-CB 3.92Å; F16-L70 HydrophobicContact CZ-CD2 4.18Å; F16-Q74 HydrophobicContact CE1-CG 4.08Å; F16-Q74 HydrophobicContact CE2-CG 4.31Å; F16-Q74 HydrophobicContact CZ-CB 4.49Å; F16-Q74 HydrophobicContact CZ-CG 3.39Å
17G80.4Confident72.4Confident30 Ų3070.2 Ų70.231%0.30937%0.374SS..Hα-helixtrans-57.4-43.9175.600000111.8E13 S14 S21E13-G17 WeakPolarHBondContact O-CA 3.31Å; E13-G17 PolarHBondContact O-N 3.2Å; S14-G17 PolarHBondContact O-N 2.96Å; G17-S21 VanDerWaalsContact O-CB 3.24Å; G17-S21 WeakPolarHBondContact O-CB 3.48Å; G17-S21 PolarHBondContact O-N 3.31Å; G17-S21 PolarHBondContact O-OG 2.83Å
18Q81.2Confident75Confident96 Ų9662.5 Ų62.545%0.44934%0.337SS..Hα-helixtrans-65.1-44.3174.6-71175.912.100112.4S14 T15 F16 S21 S22S14-Q18 WeakPolarHBondContact O-CG 3.25Å; S14-Q18 PolarHBondContact O-N 3.11Å; T15-Q18 PolarHBondContact O-N 3.45Å; F16-Q18 VanDerWaalsContact C-N 3.31Å; F16-Q18 PolarHBondContact O-N 3.32Å; Q18-S21 PolarHBondContact O-N 2.8Å; Q18-S22 WeakPolarHBondContact O-CB 3.34Å; Q18-S22 PolarHBondContact O-N 3.5Å; Q18-S22 PolarHBondContact O-OG 3.48Å
19L86Confident77.2Confident1 Ų161 Ų611%0.00533%0.334CS..Hα-helixtrans-62.2-46.9177.9-179.959.7000111.3T15 F16 S22 L23 V71 I87 T152 L154T15-L19 PolarHBondContact O-N 2.72Å; F16-L19 PolarHBondContact O-N 3.48Å; F16-L19 VanDerWaalsContact O-N 3.16Å; L19-S22 PolarHBondContact O-N 3.25Å; L19-L23 HydrophobicContact CD1-CD1 4.16Å; L19-L23 HydrophobicContact CD1-CG 4.38Å; L19-L23 HydrophobicContact CG-CD1 4.01Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 3.3Å; L19-V71 HydrophobicContact CD2-CG2 3.92Å; L19-I87 HydrophobicContact CD1-CG2 3.63Å; L19-I87 HydrophobicContact CD2-CG2 4.34Å; L19-T152 HydrophobicContact CB-CG2 4.06Å; L19-T152 HydrophobicContact CD1-CG2 3.91Å; L19-T152 HydrophobicContact CG-CG2 4.49Å; L19-L154 HydrophobicContact CD1-CD2 4.11Å
20M86.7Confident79.4Confident13 Ų1355.5 Ų55.56%0.06431%0.314CS..Hα-helixtrans-65.6-43.6180-69.3-52.498.600110.7F16 S22 L23 Q24 V71 Q74F16-M20 HydrophobicContact CD1-CG 3.95Å; F16-M20 HydrophobicContact CD2-CE 3.85Å; F16-M20 HydrophobicContact CD2-CG 3.89Å; F16-M20 HydrophobicContact CD2-SD 4.32Å; F16-M20 HydrophobicContact CE1-CG 3.69Å; F16-M20 HydrophobicContact CE1-SD 4.44Å; F16-M20 HydrophobicContact CE2-CE 3.44Å; F16-M20 VanDerWaalsContact CE2-CE 3.44Å; F16-M20 HydrophobicContact CE2-CG 3.57Å; F16-M20 HydrophobicContact CE2-SD 3.56Å; F16-M20 VanDerWaalsContact CE2-SD 3.56Å; F16-M20 HydrophobicContact CG-CG 4.08Å; F16-M20 HydrophobicContact CZ-CE 4.22Å; F16-M20 HydrophobicContact CZ-CG 3.55Å; F16-M20 HydrophobicContact CZ-SD 3.72Å; F16-M20 WeakPolarHBondContact O-CB 3.38Å; F16-M20 VanDerWaalsContact O-CG 3.26Å; F16-M20 WeakPolarHBondContact O-CG 3.3Å; F16-M20 PolarHBondContact O-N 3.4Å; M20-S22 VanDerWaalsContact C-N 3.27Å; M20-S22 PolarHBondContact O-N 2.94Å; M20-L23 HydrophobicContact CE-CD1 3.53Å; M20-L23 PolarHBondContact O-N 3.17Å; M20-L23 HydrophobicContact SD-CD1 4.43Å; M20-Q24 VanDerWaalsContact O-CB 3.32Å; M20-Q24 WeakPolarHBondContact O-CB 3.27Å; M20-Q24 VanDerWaalsContact O-CG 3.25Å; M20-Q24 WeakPolarHBondContact O-CG 3.42Å; M20-Q24 PolarHBondContact O-N 3.4Å; M20-V71 HydrophobicContact CE-CG2 3.98Å; M20-Q74 HydrophobicContact CG-CG 4.41Å; M20-Q74 HydrophobicContact SD-CB 3.53Å; M20-Q74 VanDerWaalsContact SD-CB 3.53Å; M20-Q74 HydrophobicContact SD-CG 3.74Å
21S87.4Confident81.3Confident71 Ų7154.9 Ų54.950%0.49731%0.313SS..Hα-helixtrans-57.8-42.6174.3-59.60000111.1G17 Q18 A25G17-S21 VanDerWaalsContact O-CB 3.24Å; G17-S21 WeakPolarHBondContact O-CB 3.48Å; G17-S21 PolarHBondContact O-N 3.31Å; G17-S21 PolarHBondContact O-OG 2.83Å; Q18-S21 PolarHBondContact O-N 2.8Å; S21-A25 WeakPolarHBondContact O-CB 3.46Å; S21-A25 PolarHBondContact O-N 2.8Å
22S88Confident83.2Confident43 Ų4354.4 Ų54.430%0.30131%0.314SS..Hα-helixtrans-66.6-45.6177.6-55.90000112.1Q18 L19 M20 Q24 A25 E26Q18-S22 WeakPolarHBondContact O-CB 3.34Å; Q18-S22 PolarHBondContact O-N 3.5Å; Q18-S22 PolarHBondContact O-OG 3.48Å; L19-S22 PolarHBondContact O-N 3.25Å; M20-S22 VanDerWaalsContact C-N 3.27Å; M20-S22 PolarHBondContact O-N 2.94Å; S22-Q24 VanDerWaalsContact C-N 3.34Å; S22-Q24 PolarHBondContact O-N 3.31Å; S22-A25 PolarHBondContact O-N 2.85Å; S22-E26 WeakPolarHBondContact O-CB 3.32Å; S22-E26 VanDerWaalsContact O-CG 3.28Å; S22-E26 WeakPolarHBondContact O-CG 3.2Å; S22-E26 PolarHBondContact O-N 3.44Å
23L88.8Confident84.9Confident11 Ų1151.7 Ų51.76%0.05830%0.296CS..Hα-helixtrans-63.3-40.2177.9-76.4166.2000112.1L19 M20 N27 V71 T75 L85 I87 L154L19-L23 HydrophobicContact CD1-CD1 4.16Å; L19-L23 HydrophobicContact CD1-CG 4.38Å; L19-L23 HydrophobicContact CG-CD1 4.01Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 3.3Å; M20-L23 HydrophobicContact CE-CD1 3.53Å; M20-L23 PolarHBondContact O-N 3.17Å; M20-L23 HydrophobicContact SD-CD1 4.43Å; L23-N27 PolarHBondContact O-N 2.8Å; L23-V71 HydrophobicContact CD1-CG1 4.39Å; L23-T75 HydrophobicContact CD1-CG2 4.15Å; L23-L85 HydrophobicContact CD2-CD2 3.9Å; L23-I87 HydrophobicContact CD1-CD1 4.16Å; L23-I87 HydrophobicContact CD2-CD1 4.07Å; L23-L154 HydrophobicContact CD2-CD1 3.84Å; L23-L154 HydrophobicContact CD2-CD2 3.83Å; L23-L154 HydrophobicContact CG-CD1 4.09Å; L23-L154 HydrophobicContact CG-CD2 4.27Å
24Q87.9Confident86.4Confident137 Ų13748.9 Ų48.964%0.6428%0.283SS*.Hα-helixtrans-67.7-44.3176.5-73.7174.8-9.300111.7M20 S22 N27M20-Q24 VanDerWaalsContact O-CB 3.32Å; M20-Q24 WeakPolarHBondContact O-CB 3.27Å; M20-Q24 VanDerWaalsContact O-CG 3.25Å; M20-Q24 WeakPolarHBondContact O-CG 3.42Å; M20-Q24 PolarHBondContact O-N 3.4Å; S22-Q24 VanDerWaalsContact C-N 3.34Å; S22-Q24 PolarHBondContact O-N 3.31Å; Q24-N27 PolarHBondContact O-N 3.26Å
25A91Very high87.6Confident82 Ų8246 Ų4668%0.67826%0.262SS*.Hα-helixtrans-62.3-43.4178.700000111.9S21 S22S21-A25 WeakPolarHBondContact O-CB 3.46Å; S21-A25 PolarHBondContact O-N 2.8Å; S22-A25 PolarHBondContact O-N 2.85Å
26E90.9Very high88.8Confident65 Ų6549.3 Ų49.330%0.30428%0.279SS..Hα-helixtrans-75-32.7179.4-66.1-67.7165.700112.5S22 Y28 L154 R202 R235S22-E26 WeakPolarHBondContact O-CB 3.32Å; S22-E26 VanDerWaalsContact O-CG 3.28Å; S22-E26 WeakPolarHBondContact O-CG 3.2Å; S22-E26 PolarHBondContact O-N 3.44Å; E26-Y28 HydrophobicContact CB-CD2 3.62Å; E26-Y28 HydrophobicContact CB-CE2 3.27Å; E26-Y28 HydrophobicContact CG-CE2 3.79Å; E26-Y28 PolarHBondContact O-N 2.74Å; E26-L154 HydrophobicContact CG-CD1 4.1Å; E26-R202 PolarHBondContact O-NH2 3.08Å; E26-R235 WeakPolarHBondContact O-CG 3.38Å; E26-R235 IonicContact OE1-NH2 2.68Å; E26-R235 IonicContact OE2-CZ 2.73Å; E26-R235 IonicContact OE2-NE 2.73Å; E26-R235 PolarHBondContact OE2-NE 3.31Å; E26-R235 IonicContact OE2-NH2 3.71Å; E26-R235 PolarHBondContact OE2-NH2 3.3Å
27N90.9Very high89.4Confident76 Ų7647.9 Ų47.941%0.40627%0.273SS..THydrogen-bonded Turntrans51.457.6176.8-17623.5000112.3L23 Q24 K29 R202L23-N27 PolarHBondContact O-N 2.8Å; Q24-N27 PolarHBondContact O-N 3.26Å; N27-K29 PolarHBondContact OD1-NZ 2.93Å; N27-R202 PolarHBondContact O-NH1 3.03Å
28Y91.8Very high89.8Confident21 Ų2151.9 Ų51.98%0.08228%0.283CS..  trans-65.9130.2176.4-72-84.8000111.3E26 V30 L85 L154 T156 R235E26-Y28 HydrophobicContact CB-CD2 3.62Å; E26-Y28 HydrophobicContact CB-CE2 3.27Å; E26-Y28 HydrophobicContact CG-CE2 3.79Å; E26-Y28 PolarHBondContact O-N 2.74Å; Y28-V30 PolarHBondContact O-N 2.79Å; Y28-L85 HydrophobicContact CD1-CD1 4.12Å; Y28-L85 HydrophobicContact CD2-CD1 4.04Å; Y28-L85 HydrophobicContact CD2-CD2 4.3Å; Y28-L85 HydrophobicContact CE1-CD1 4.17Å; Y28-L85 HydrophobicContact CE2-CD1 4.04Å; Y28-L85 HydrophobicContact CG-CD1 4.09Å; Y28-L85 HydrophobicContact CG-CD2 4.34Å; Y28-L154 HydrophobicContact CD2-CD1 4.49Å; Y28-L154 HydrophobicContact CE2-CB 3.86Å; Y28-L154 HydrophobicContact CE2-CD1 3.85Å; Y28-L154 HydrophobicContact CE2-CG 4.47Å; Y28-T156 HydrophobicContact CD1-CG2 3.69Å; Y28-T156 HydrophobicContact CE1-CG2 3.54Å; Y28-R235 HydrophobicContact CD1-CB 4.11Å; Y28-R235 HydrophobicContact CD1-CG 3.78Å; Y28-R235 HydrophobicContact CE1-CB 4.39Å; Y28-R235 HydrophobicContact CE1-CG 3.68Å; Y28-R235 HydrophobicContact CG-CG 4.26Å
29K90.9Very high90Very high93 Ų9348.6 Ų48.640%0.40427%0.269SS..BIsolated β-bridgetrans-96.382.6169.5-57.3-51.5-171.4-164.60109.5N27 R235 E236 C237N27-K29 PolarHBondContact OD1-NZ 2.93Å; K29-R235 PolarHBondContact N-O 3.49Å; K29-E236 WeakPolarHBondContact CB-OE2 3.08Å; K29-E236 VanDerWaalsContact CG-CD 3.44Å; K29-E236 WeakPolarHBondContact CG-OE1 3.41Å; K29-E236 WeakPolarHBondContact CG-OE2 3.43Å; K29-C237 PolarHBondContact O-N 3Å
30V89.7Confident90Very high13 Ų1348.9 Ų48.98%0.07927%0.271CS..  trans-132.3150.4178.6-67.10000109.9Y28 I77 K84 L85 C237Y28-V30 PolarHBondContact O-N 2.79Å; V30-I77 HydrophobicContact CG2-CD1 3.74Å; V30-I77 HydrophobicContact CG2-CG1 4.35Å; V30-I77 HydrophobicContact CG2-CG2 4.04Å; V30-K84 HydrophobicContact CG1-CB 4.41Å; V30-L85 HydrophobicContact CB-CB 4.49Å; V30-L85 HydrophobicContact CG1-CB 4.33Å; V30-L85 HydrophobicContact CG2-CB 3.87Å; V30-L85 HydrophobicContact CG2-CD2 4.02Å; V30-C237 HydrophobicContact CG1-CB 3.86Å
31C88.3Confident89.8Confident80 Ų8049.6 Ų49.654%0.54128%0.276SS..SBendtrans-90.5-25.2174.8-60.40000112.9I77 R78 N238C31-I77 WeakPolarHBondContact O-CG2 3.39Å; C31-R78 PolarHBondContact O-N 2.72Å; C31-R78 VanDerWaalsContact O-N 3.12Å; C31-N238 PolarHBondContact SG-ND2 2.75Å
32T93Very high89.5Confident41 Ų4146.4 Ų46.425%0.25225%0.253SS..EExtended strand (participates in β ladder)trans-137.2147-173.3570000113.3R78 D80 G83 K84 L85T32-R78 CarbonylContact C-O 3.57Å; T32-R78 WeakPolarHBondContact CA-O 3.32Å; T32-D80 HydrophobicContact CG2-CB 3.97Å; T32-G83 WeakPolarHBondContact OG1-CA 3.31Å; T32-K84 PolarHBondContact O-N 3.42Å; T32-L85 PolarHBondContact O-N 2.87Å
33F94.7Very high89.1Confident0 Ų047.8 Ų47.80%025%0.254CS..EExtended strand (participates in β ladder)trans-132.2151.217479.8-81.1000112.3L35 I68 V71 E72 I77 R78 H79 D80 L85 I87F33-L35 HydrophobicContact CE2-CB 4.14Å; F33-I68 HydrophobicContact CE2-CG1 4.5Å; F33-I68 HydrophobicContact CZ-CG1 4.44Å; F33-I68 HydrophobicContact CZ-CG2 4.34Å; F33-V71 HydrophobicContact CD1-CG1 4.02Å; F33-V71 HydrophobicContact CD2-CG1 4.33Å; F33-V71 HydrophobicContact CE1-CB 4.13Å; F33-V71 HydrophobicContact CE1-CG1 3.59Å; F33-V71 HydrophobicContact CE2-CB 4.14Å; F33-V71 HydrophobicContact CE2-CG1 3.92Å; F33-V71 HydrophobicContact CE2-CG2 4.46Å; F33-V71 HydrophobicContact CG-CG1 4.37Å; F33-V71 HydrophobicContact CZ-CB 3.67Å; F33-V71 HydrophobicContact CZ-CG1 3.54Å; F33-V71 HydrophobicContact CZ-CG2 4.44Å; F33-E72 HydrophobicContact CE1-CG 3.94Å; F33-E72 HydrophobicContact CZ-CG 4.38Å; F33-I77 HydrophobicContact CB-CG2 4.12Å; F33-I77 HydrophobicContact CD1-CB 4.13Å; F33-I77 HydrophobicContact CD1-CG2 3.77Å; F33-I77 WeakPolarHBondContact CE1-O 3.39Å; F33-I77 HydrophobicContact CG-CG2 4.42Å; F33-R78 WeakPolarHBondContact CD1-O 3.35Å; F33-R78 PolarHBondContact N-O 3.06Å; F33-H79 HydrophobicContact CE1-CB 3.87Å; F33-H79 HydrophobicContact CE2-CB 4.48Å; F33-H79 AromaticContact CE2-CD2 3.93Å; F33-H79 HydrophobicContact CZ-CB 3.85Å; F33-H79 CarbonylContact O-C 3.56Å; F33-H79 WeakPolarHBondContact O-CA 3.43Å; F33-H79 PolarHBondContact O-CD2 2.82Å; F33-D80 CarbonylContact C-O 3.57Å; F33-D80 PolarHBondContact O-N 3.11Å; F33-L85 CarbonylContact C-O 3.44Å; F33-L85 WeakPolarHBondContact CA-O 3.15Å; F33-L85 HydrophobicContact CB-CB 4.02Å; F33-L85 HydrophobicContact CB-CD2 4.28Å; F33-L85 HydrophobicContact CB-CG 4.27Å; F33-L85 WeakPolarHBondContact CB-O 3.34Å; F33-I87 HydrophobicContact CB-CD1 4.35Å; F33-I87 HydrophobicContact CD2-CD1 3.58Å; F33-I87 HydrophobicContact CD2-CG1 4.05Å; F33-I87 HydrophobicContact CE2-CD1 4.12Å; F33-I87 HydrophobicContact CG-CD1 4.08Å
34K94.9Very high88.5Confident41 Ų4147.7 Ų47.718%0.17826%0.255CS..EExtended strand (participates in β ladder)trans-109.1134.4169.164.8-174.8172.8-1700110.2D80 L81 L85 S86 I87 E157K34-D80 WeakPolarHBondContact CA-O 3.5Å; K34-D80 VanDerWaalsContact CB-O 3.26Å; K34-D80 WeakPolarHBondContact CB-O 3.41Å; K34-L81 WeakPolarHBondContact CD-O 3.32Å; K34-L85 PolarHBondContact N-O 2.87Å; K34-S86 WeakPolarHBondContact CE-OG 3.37Å; K34-I87 PolarHBondContact O-N 2.9Å; K34-E157 IonicContact NZ-OE1 3.91Å; K34-E157 PolarHBondContact NZ-OE1 2.84Å
35L94.1Very high88.2Confident8 Ų841.4 Ų41.44%0.04223%0.225CC..EExtended strand (participates in β ladder)trans-98.5120.8176.9-172.771.9000111.5F33 T37 K64 L67 I68 I87F33-L35 HydrophobicContact CE2-CB 4.14Å; L35-T37 HydrophobicContact CD2-CG2 3.98Å; L35-T37 HydrophobicContact CG-CG2 4.02Å; L35-K64 HydrophobicContact CD2-CB 4.33Å; L35-K64 HydrophobicContact CD2-CG 4.25Å; L35-L67 HydrophobicContact CD2-CB 3.59Å; L35-L67 HydrophobicContact CD2-CD1 4.17Å; L35-I68 HydrophobicContact CB-CG1 4.04Å; L35-I68 HydrophobicContact CD2-CD1 4.44Å; L35-I68 HydrophobicContact CD2-CG1 3.8Å; L35-I87 HydrophobicContact CD1-CB 4.03Å; L35-I87 HydrophobicContact CD1-CG2 3.9Å
36L92.2Very high87.6Confident77 Ų7739.3 Ų39.340%0.40320%0.2SC..EExtended strand (participates in β ladder)trans-106132.3169.9-59.8175.6000108.8I87 L88 C89L36-I87 PolarHBondContact N-O 3.24Å; L36-L88 HydrophobicContact CB-CB 4.45Å; L36-L88 HydrophobicContact CB-CD1 3.76Å; L36-L88 WeakPolarHBondContact O-CA 3.46Å; L36-C89 PolarHBondContact O-N 3.14Å
37T89.4Confident86.8Confident7 Ų737.3 Ų37.34%0.04319%0.191CC..EExtended strand (participates in β ladder)trans-128.1129.1176.859.60000111.3L35 K60 K64 L67 C89L35-T37 HydrophobicContact CD2-CG2 3.98Å; L35-T37 HydrophobicContact CG-CG2 4.02Å; T37-K60 VanDerWaalsContact O-CE 3.25Å; T37-K60 WeakPolarHBondContact O-CE 3.33Å; T37-K60 PolarHBondContact O-NZ 3.41Å; T37-K60 WeakPolarHBondContact OG1-CE 3.1Å; T37-K64 HydrophobicContact CG2-CG 3.79Å; T37-K64 WeakPolarHBondContact OG1-CE 3.38Å; T37-K64 WeakPolarHBondContact OG1-CG 3.27Å; T37-L67 HydrophobicContact CG2-CD1 4.14Å; T37-C89 WeakPolarHBondContact CA-O 3.45Å; T37-C89 HydrophobicContact CG2-CB 4.44Å
38E88.5Confident86Confident113 Ų11339 Ų3953%0.52819%0.192SC..EExtended strand (participates in β ladder)trans-110.3129.6171.2-66.4177.4174.900108L88 C89 A90 F91E38-L88 HydrophobicContact CG-CD1 4.03Å; E38-C89 PolarHBondContact N-O 2.76Å; E38-A90 HydrophobicContact CB-CB 4.23Å; E38-F91 WeakPolarHBondContact O-CB 3.26Å; E38-F91 WeakPolarHBondContact O-CD2 3.48Å; E38-F91 PolarHBondContact O-N 2.87Å
39L85.5Confident85.2Confident28 Ų2839.7 Ų39.715%0.14720%0.197CC..  trans-120.8153.5-175.3-68.6178.5000110.2F43 K60 L63 F91L39-F43 HydrophobicContact CD1-CD1 3.75Å; L39-F43 HydrophobicContact CD1-CE1 3.93Å; L39-K60 HydrophobicContact CD1-CB 3.55Å; L39-K60 HydrophobicContact CD1-CD 4.09Å; L39-K60 HydrophobicContact CD1-CG 3.63Å; L39-L63 HydrophobicContact CD2-CD2 3.67Å; L39-F91 HydrophobicContact CD2-CB 3.95Å; L39-F91 HydrophobicContact CD2-CD2 3.73Å; L39-F91 HydrophobicContact CD2-CE2 4.48Å; L39-F91 HydrophobicContact CD2-CG 3.92Å
40P84.5Confident84.2Confident7 Ų738.1 Ų38.15%0.04520%0.201CC..  trans-53.1145.2172.5-2434.9000110.7C42 F43 S44 F91 N93P40-C42 VanDerWaalsContact C-N 3.3Å; P40-C42 PolarHBondContact O-N 2.82Å; P40-F43 HydrophobicContact CB-CB 4.45Å; P40-F43 WeakPolarHBondContact O-CB 3.47Å; P40-F43 PolarHBondContact O-N 3.44Å; P40-S44 PolarHBondContact O-N 2.95Å; P40-F91 VanDerWaalsContact CD-O 3.23Å; P40-F91 WeakPolarHBondContact CD-O 3.31Å; P40-N93 HydrophobicContact CB-CB 4.3Å; P40-N93 HydrophobicContact CG-CB 3.96Å
41V82.6Confident82.7Confident27 Ų2745.5 Ų45.516%0.16424%0.235CC..Hα-helixtrans-64.8-41.1-174.8-177.50000109.8F43 S44 I45 D97 L100 L120V41-F43 PolarHBondContact O-N 2.76Å; V41-S44 WeakPolarHBondContact O-CB 3.24Å; V41-S44 PolarHBondContact O-N 3.32Å; V41-S44 VanDerWaalsContact O-N 3.08Å; V41-I45 HydrophobicContact CG1-CG1 4.47Å; V41-I45 WeakPolarHBondContact O-CG1 3.47Å; V41-I45 PolarHBondContact O-N 2.92Å; V41-I45 VanDerWaalsContact O-N 3.12Å; V41-D97 PolarHBondContact N-OD1 3.2Å; V41-D97 PolarHBondContact N-OD2 3.02Å; V41-L100 HydrophobicContact CG1-CD2 4.43Å; V41-L120 HydrophobicContact CG1-CB 4.35Å; V41-L120 HydrophobicContact CG1-CD2 3.36Å; V41-L120 HydrophobicContact CG1-CG 4.47Å
42C81.3Confident81.3Confident4 Ų445.6 Ų45.63%0.02722%0.224CC..Hα-helixtrans-53.9-37.317661.80000113.2P40 I45 R46 E96 D97 L100P40-C42 VanDerWaalsContact C-N 3.3Å; P40-C42 PolarHBondContact O-N 2.82Å; C42-I45 PolarHBondContact O-N 3.32Å; C42-R46 WeakPolarHBondContact O-CG 3.26Å; C42-R46 PolarHBondContact O-N 2.93Å; C42-E96 VanDerWaalsContact SG-CB 3.6Å; C42-D97 WeakPolarHBondContact CB-OD1 3.38Å; C42-D97 PolarHBondContact N-OD1 3.31Å; C42-D97 PolarHBondContact SG-OD1 3.41Å; C42-L100 HydrophobicContact CB-CB 4.04Å; C42-L100 HydrophobicContact CB-CD2 3.94Å
43F79.4Confident79.6Confident72 Ų7249 Ų4932%0.31624%0.241SC..Hα-helixtrans-67.7-41.5179.8-164.9-97.9000111.8L39 P40 V41 I45 R46 D47 W59L39-F43 HydrophobicContact CD1-CD1 3.75Å; L39-F43 HydrophobicContact CD1-CE1 3.93Å; P40-F43 HydrophobicContact CB-CB 4.45Å; P40-F43 WeakPolarHBondContact O-CB 3.47Å; P40-F43 PolarHBondContact O-N 3.44Å; V41-F43 PolarHBondContact O-N 2.76Å; F43-I45 VanDerWaalsContact C-N 3.27Å; F43-I45 PolarHBondContact O-N 3.32Å; F43-R46 PolarHBondContact O-N 2.8Å; F43-D47 PolarHBondContact O-N 3.4Å; F43-D47 VanDerWaalsContact O-N 3.15Å; F43-W59 HydrophobicContact CD1-CB 4.34Å; F43-W59 HydrophobicContact CE1-CB 3.24Å; F43-W59 HydrophobicContact CE1-CG 4.13Å; F43-W59 HydrophobicContact CZ-CB 3.38Å; F43-W59 AromaticContact CZ-CG 3.9Å; F43-W59 HydrophobicContact CZ-CG 3.9Å
44S77.3Confident77.9Confident10 Ų1054.4 Ų54.47%0.0729%0.285CS..Hα-helixtrans-67.2-27.5175.7-65.50000113.1P40 V41 K117P40-S44 PolarHBondContact O-N 2.95Å; V41-S44 WeakPolarHBondContact O-CB 3.24Å; V41-S44 PolarHBondContact O-N 3.32Å; V41-S44 VanDerWaalsContact O-N 3.08Å; S44-K117 WeakPolarHBondContact OG-CE 3.39Å; S44-K117 PolarHBondContact OG-NZ 2.91Å
45I80.3Confident76.2Confident5 Ų558.2 Ų58.23%0.02631%0.312CS..Hα-helixtrans-77.5-47176-64-44.6000110.8V41 C42 F43 D47 R48 L49 L100 L120 I124 L139V41-I45 HydrophobicContact CG1-CG1 4.47Å; V41-I45 WeakPolarHBondContact O-CG1 3.47Å; V41-I45 PolarHBondContact O-N 2.92Å; V41-I45 VanDerWaalsContact O-N 3.12Å; C42-I45 PolarHBondContact O-N 3.32Å; F43-I45 VanDerWaalsContact C-N 3.27Å; F43-I45 PolarHBondContact O-N 3.32Å; I45-D47 VanDerWaalsContact C-N 3.33Å; I45-D47 PolarHBondContact O-N 3.3Å; I45-R48 PolarHBondContact O-N 3.47Å; I45-R48 VanDerWaalsContact O-N 3.12Å; I45-L49 HydrophobicContact CG2-CD1 3.72Å; I45-L49 HydrophobicContact CG2-CG 4.17Å; I45-L49 PolarHBondContact O-N 3.47Å; I45-L100 HydrophobicContact CG1-CD2 4.26Å; I45-L100 HydrophobicContact CG2-CD1 4.32Å; I45-L120 HydrophobicContact CD1-CD2 4.41Å; I45-L120 HydrophobicContact CG1-CD2 3.99Å; I45-I124 HydrophobicContact CB-CD1 4.23Å; I45-I124 HydrophobicContact CD1-CD1 3.41Å; I45-I124 VanDerWaalsContact CD1-CD1 3.41Å; I45-I124 HydrophobicContact CG1-CD1 3.61Å; I45-I124 HydrophobicContact CG2-CD1 3.56Å; I45-L139 HydrophobicContact CG2-CD1 3.99Å
46R78.8Confident75Confident38 Ų3863 Ų6314%0.14333%0.334CS..Hα-helixtrans-54.4-47176.5-79.2175170.3150.51.8112.6C42 F43 R48 L49 A50 E96 L139C42-R46 WeakPolarHBondContact O-CG 3.26Å; C42-R46 PolarHBondContact O-N 2.93Å; F43-R46 PolarHBondContact O-N 2.8Å; R46-R48 PolarHBondContact O-N 3.23Å; R46-L49 PolarHBondContact O-N 3.48Å; R46-A50 WeakPolarHBondContact O-CB 3.22Å; R46-A50 PolarHBondContact O-N 2.67Å; R46-E96 IonicContact CZ-OE2 3.22Å; R46-E96 VanDerWaalsContact CZ-OE2 3.22Å; R46-E96 IonicContact NH1-OE2 2.81Å; R46-E96 PolarHBondContact NH1-OE2 3.11Å; R46-E96 IonicContact NH2-OE2 2.74Å; R46-E96 PolarHBondContact NH2-OE2 3.11Å; R46-L139 HydrophobicContact CG-CB 4.3Å; R46-L139 PolarHBondContact NE-O 2.85Å; R46-L139 PolarHBondContact NH2-O 3.45Å; R46-L139 VanDerWaalsContact NH2-O 3.15Å
47D75.1Confident74.1Confident22 Ų2262.3 Ų62.312%0.11834%0.335CS..Hα-helixtrans-56.6-35180-170.557.4000112.5F43 I45 T58 W59F43-D47 PolarHBondContact O-N 3.4Å; F43-D47 VanDerWaalsContact O-N 3.15Å; I45-D47 VanDerWaalsContact C-N 3.33Å; I45-D47 PolarHBondContact O-N 3.3Å; D47-T58 WeakPolarHBondContact OD2-CA 3.42Å; D47-T58 WeakPolarHBondContact OD2-CB 3.36Å; D47-T58 VanDerWaalsContact OD2-CG2 3.25Å; D47-T58 WeakPolarHBondContact OD2-CG2 3.48Å; D47-W59 PolarHBondContact OD1-N 2.93Å
48R74.2Confident73.6Confident112 Ų11264.1 Ų64.142%0.42335%0.346SS..Hα-helixtrans-83.5-37.6177.4-82-168.3-88.8-141.15.2114.5I45 R46 A50 Q51I45-R48 PolarHBondContact O-N 3.47Å; I45-R48 VanDerWaalsContact O-N 3.12Å; R46-R48 PolarHBondContact O-N 3.23Å; R48-A50 PolarHBondContact O-N 2.97Å; R48-Q51 PolarHBondContact O-N 2.88Å
49L74.3Confident73Confident35 Ų3563 Ų6318%0.18334%0.337CS..Hα-helixtrans-65.9-25.4176.2-71174.9000112.3I45 R46 Q51 L135 A136 L139I45-L49 HydrophobicContact CG2-CD1 3.72Å; I45-L49 HydrophobicContact CG2-CG 4.17Å; I45-L49 PolarHBondContact O-N 3.47Å; R46-L49 PolarHBondContact O-N 3.48Å; L49-Q51 PolarHBondContact O-N 3.18Å; L49-L135 HydrophobicContact CD1-CD2 4.01Å; L49-L135 HydrophobicContact CD1-CG 3.88Å; L49-A136 HydrophobicContact CB-CB 4.11Å; L49-A136 HydrophobicContact CD1-CB 4.27Å; L49-L139 HydrophobicContact CD1-CD1 3.6Å
50A69.5Low72.8Confident60 Ų6064.7 Ų64.750%0.49634%0.343SS..THydrogen-bonded Turntrans-660.9176.500000114.8R46 R48 R52R46-A50 WeakPolarHBondContact O-CB 3.22Å; R46-A50 PolarHBondContact O-N 2.67Å; R48-A50 PolarHBondContact O-N 2.97Å; A50-R52 HydrophobicContact CB-CG 4.2Å; A50-R52 PolarHBondContact O-N 2.69Å
51Q59.7Low72.8Confident169 Ų16968.8 Ų68.879%0.7936%0.362SS*.THydrogen-bonded Turntrans4241.6178.2-65.2-173.82.600113.4R48 L49R48-Q51 PolarHBondContact O-N 2.88Å; L49-Q51 PolarHBondContact O-N 3.18Å
52R58.3Low72.8Confident82 Ų8271 Ų7131%0.30937%0.373SS..  trans-66.1138.7177.9-63.6-178.9107.2174.22.4108.7A50 A54 H56A50-R52 HydrophobicContact CB-CG 4.2Å; A50-R52 PolarHBondContact O-N 2.69Å; R52-A54 PolarHBondContact O-N 3.32Å; R52-H56 HydrophobicContact CB-CB 4.4Å
53D56.5Low72.9Confident113 Ų11372.6 Ų72.660%0.60438%0.381SS*.  trans-49.9138.3170.9-80.2-36.1000109.6T55 H56D53-T55 WeakPolarHBondContact CB-OG1 3.41Å; D53-T55 PolarHBondContact O-N 2.81Å; D53-H56 PolarHBondContact O-N 2.82Å
54A60.4Low73.3Confident113 Ų11372.1 Ų72.193%0.93438%0.379SS*.THydrogen-bonded Turntrans-58.3-10.1-17900000113.8R52R52-A54 PolarHBondContact O-N 3.32Å
55T58.8Low73.9Confident120 Ų12076.3 Ų76.374%0.73640%0.403SS*.THydrogen-bonded Turntrans-77.7-19173.656.60000113.4D53D53-T55 WeakPolarHBondContact CB-OG1 3.41Å; D53-T55 PolarHBondContact O-N 2.81Å
56H68.6Low74.2Confident110 Ų11078.4 Ų78.451%0.50942%0.421SS..SBendtrans-90.7132.5-178.8-72.5-60.6000112.1R52 D53 T58R52-H56 HydrophobicContact CB-CB 4.4Å; D53-H56 PolarHBondContact O-N 2.82Å; H56-T58 PolarHBondContact O-N 2.97Å
57S73.4Confident74.6Confident61 Ų6177.1 Ų77.143%0.42742%0.417SS..PPolyproline II helixtrans-59.4136.5173.7-53.80000111.7E61S57-E61 VanDerWaalsContact CA-OE2 3.29Å; S57-E61 WeakPolarHBondContact CA-OE2 3.36Å
58T78.8Confident75.4Confident46 Ų4677.4 Ų77.428%0.28242%0.419SS..PPolyproline II helixtrans-59.9154.8172.360.50000110.5D47 H56 K60 E61 L62D47-T58 WeakPolarHBondContact OD2-CA 3.42Å; D47-T58 WeakPolarHBondContact OD2-CB 3.36Å; D47-T58 VanDerWaalsContact OD2-CG2 3.25Å; D47-T58 WeakPolarHBondContact OD2-CG2 3.48Å; H56-T58 PolarHBondContact O-N 2.97Å; T58-K60 PolarHBondContact O-N 3.3Å; T58-K60 VanDerWaalsContact O-N 3.15Å; T58-E61 PolarHBondContact N-OE2 2.9Å; T58-E61 PolarHBondContact O-N 2.9Å; T58-E61 WeakPolarHBondContact OG1-CB 3.32Å; T58-E61 WeakPolarHBondContact OG1-CG 3.3Å; T58-E61 PolarHBondContact OG1-N 3.15Å; T58-E61 VanDerWaalsContact OG1-N 3.14Å; T58-E61 PolarHBondContact OG1-OE2 2.82Å; T58-L62 PolarHBondContact O-N 3.48Å
59W75Confident76.2Confident89 Ų8977.2 Ų77.234%0.33742%0.422SS..Hα-helixtrans-57.9-30.5172.9-67.6117.2000113.1L2 F43 D47 L62 L63L2-W59 HydrophobicContact CD2-CH2 3.32Å; L2-W59 HydrophobicContact CD2-CZ3 3.39Å; L2-W59 HydrophobicContact CG-CH2 4.2Å; F43-W59 HydrophobicContact CD1-CB 4.34Å; F43-W59 HydrophobicContact CE1-CB 3.24Å; F43-W59 HydrophobicContact CE1-CG 4.13Å; F43-W59 HydrophobicContact CZ-CB 3.38Å; F43-W59 AromaticContact CZ-CG 3.9Å; F43-W59 HydrophobicContact CZ-CG 3.9Å; D47-W59 PolarHBondContact OD1-N 2.93Å; W59-L62 HydrophobicContact CE3-CD1 3.84Å; W59-L62 HydrophobicContact CZ3-CD1 4.1Å; W59-L63 WeakPolarHBondContact O-CB 3.43Å; W59-L63 PolarHBondContact O-N 3.32Å
60K82.1Confident76.8Confident63 Ų6377.9 Ų77.927%0.27443%0.426SS..Hα-helixtrans-63.2-43.5174.4-177.9170.7-177.2169.50111.7T37 L39 T58 K64T37-K60 VanDerWaalsContact O-CE 3.25Å; T37-K60 WeakPolarHBondContact O-CE 3.33Å; T37-K60 PolarHBondContact O-NZ 3.41Å; T37-K60 WeakPolarHBondContact OG1-CE 3.1Å; L39-K60 HydrophobicContact CD1-CB 3.55Å; L39-K60 HydrophobicContact CD1-CD 4.09Å; L39-K60 HydrophobicContact CD1-CG 3.63Å; T58-K60 PolarHBondContact O-N 3.3Å; T58-K60 VanDerWaalsContact O-N 3.15Å; K60-K64 WeakPolarHBondContact O-CB 3.47Å; K60-K64 WeakPolarHBondContact O-CG 2.98Å; K60-K64 PolarHBondContact O-N 3.4Å
61E84.4Confident77.7Confident94 Ų9475 Ų7544%0.43940%0.402SS..Hα-helixtrans-67.7-44.7178-74.8158.7170.400111.3S57 T58 L63 K64 V65S57-E61 VanDerWaalsContact CA-OE2 3.29Å; S57-E61 WeakPolarHBondContact CA-OE2 3.36Å; T58-E61 PolarHBondContact N-OE2 2.9Å; T58-E61 PolarHBondContact O-N 2.9Å; T58-E61 WeakPolarHBondContact OG1-CB 3.32Å; T58-E61 WeakPolarHBondContact OG1-CG 3.3Å; T58-E61 PolarHBondContact OG1-N 3.15Å; T58-E61 VanDerWaalsContact OG1-N 3.14Å; T58-E61 PolarHBondContact OG1-OE2 2.82Å; E61-L63 VanDerWaalsContact C-N 3.3Å; E61-L63 PolarHBondContact O-N 2.84Å; E61-K64 WeakPolarHBondContact O-CB 3.36Å; E61-K64 PolarHBondContact O-N 3.25Å; E61-K64 VanDerWaalsContact O-N 3.12Å; E61-V65 WeakPolarHBondContact O-CG2 3.2Å; E61-V65 PolarHBondContact O-N 3.2Å
62L83.4Confident79.3Confident73 Ų7369.9 Ų69.938%0.38238%0.378SS..Hα-helixtrans-58.1-43.7176.1-67.5174.8000111.7T58 W59 V65 A66T58-L62 PolarHBondContact O-N 3.48Å; W59-L62 HydrophobicContact CE3-CD1 3.84Å; W59-L62 HydrophobicContact CZ3-CD1 4.1Å; L62-V65 PolarHBondContact O-N 2.64Å; L62-A66 WeakPolarHBondContact O-CB 3.34Å; L62-A66 PolarHBondContact O-N 3.42Å
63L83.1Confident80.8Confident37 Ų3770.9 Ų70.919%0.19439%0.389CS..Hα-helixtrans-63.6-44.4175179.367.2000111.8L39 W59 E61 A66 L67 F91L39-L63 HydrophobicContact CD2-CD2 3.67Å; W59-L63 WeakPolarHBondContact O-CB 3.43Å; W59-L63 PolarHBondContact O-N 3.32Å; E61-L63 VanDerWaalsContact C-N 3.3Å; E61-L63 PolarHBondContact O-N 2.84Å; L63-A66 PolarHBondContact O-N 3.06Å; L63-L67 HydrophobicContact CD1-CD1 4.13Å; L63-L67 HydrophobicContact CD1-CG 4.17Å; L63-L67 HydrophobicContact CD2-CD1 4.47Å; L63-L67 HydrophobicContact CG-CD1 3.93Å; L63-L67 HydrophobicContact CG-CG 4.36Å; L63-L67 WeakPolarHBondContact O-CB 3.36Å; L63-L67 WeakPolarHBondContact O-CG 3.35Å; L63-L67 PolarHBondContact O-N 3.49Å; L63-F91 HydrophobicContact CD2-CD2 4.29Å; L63-F91 HydrophobicContact CD2-CE1 4.46Å; L63-F91 HydrophobicContact CD2-CE2 3.81Å; L63-F91 HydrophobicContact CD2-CZ 3.93Å
64K88Confident82.2Confident63 Ų6370.7 Ų70.727%0.27438%0.384SS..Hα-helixtrans-59.1-48177.1-82.4-175169.5-162.20111.4L35 T37 K60 E61 A66 L67 I68L35-K64 HydrophobicContact CD2-CB 4.33Å; L35-K64 HydrophobicContact CD2-CG 4.25Å; T37-K64 HydrophobicContact CG2-CG 3.79Å; T37-K64 WeakPolarHBondContact OG1-CE 3.38Å; T37-K64 WeakPolarHBondContact OG1-CG 3.27Å; K60-K64 WeakPolarHBondContact O-CB 3.47Å; K60-K64 WeakPolarHBondContact O-CG 2.98Å; K60-K64 PolarHBondContact O-N 3.4Å; E61-K64 WeakPolarHBondContact O-CB 3.36Å; E61-K64 PolarHBondContact O-N 3.25Å; E61-K64 VanDerWaalsContact O-N 3.12Å; K64-A66 VanDerWaalsContact C-N 3.32Å; K64-A66 PolarHBondContact O-N 3.41Å; K64-L67 PolarHBondContact O-N 3.36Å; K64-I68 WeakPolarHBondContact O-CB 3.49Å; K64-I68 WeakPolarHBondContact O-CD1 3.42Å; K64-I68 WeakPolarHBondContact O-CG1 3.49Å; K64-I68 PolarHBondContact O-N 3.28Å
65V88.5Confident83.5Confident97 Ų9767.7 Ų67.759%0.58835%0.354SS*.Hα-helixtrans-59.4-45.4178.9171.30000110.6E61 L62 I68 H69E61-V65 WeakPolarHBondContact O-CG2 3.2Å; E61-V65 PolarHBondContact O-N 3.2Å; L62-V65 PolarHBondContact O-N 2.64Å; V65-I68 PolarHBondContact O-N 2.82Å; V65-H69 WeakPolarHBondContact O-CB 3.38Å; V65-H69 PolarHBondContact O-N 3.49Å
66A86.6Confident84.9Confident49 Ų4964.8 Ų64.841%0.40535%0.348SS..Hα-helixtrans-61.2-49.617700000112L62 L63 K64 I68 H69 L70L62-A66 WeakPolarHBondContact O-CB 3.34Å; L62-A66 PolarHBondContact O-N 3.42Å; L63-A66 PolarHBondContact O-N 3.06Å; K64-A66 VanDerWaalsContact C-N 3.32Å; K64-A66 PolarHBondContact O-N 3.41Å; A66-I68 PolarHBondContact O-N 3.1Å; A66-H69 PolarHBondContact O-N 3.21Å; A66-L70 WeakPolarHBondContact O-CB 3.35Å; A66-L70 WeakPolarHBondContact O-CG 3.41Å; A66-L70 PolarHBondContact O-N 3.5Å
67L88.4Confident86Confident12 Ų1260.4 Ų60.46%0.06333%0.328CS..Hα-helixtrans-63.2-40.7179-72.2174.3000112.4L35 T37 L63 K64 L70 V71 C89 F91L35-L67 HydrophobicContact CD2-CB 3.59Å; L35-L67 HydrophobicContact CD2-CD1 4.17Å; T37-L67 HydrophobicContact CG2-CD1 4.14Å; L63-L67 HydrophobicContact CD1-CD1 4.13Å; L63-L67 HydrophobicContact CD1-CG 4.17Å; L63-L67 HydrophobicContact CD2-CD1 4.47Å; L63-L67 HydrophobicContact CG-CD1 3.93Å; L63-L67 HydrophobicContact CG-CG 4.36Å; L63-L67 WeakPolarHBondContact O-CB 3.36Å; L63-L67 WeakPolarHBondContact O-CG 3.35Å; L63-L67 PolarHBondContact O-N 3.49Å; K64-L67 PolarHBondContact O-N 3.36Å; L67-L70 PolarHBondContact O-N 3.26Å; L67-V71 VanDerWaalsContact O-CG2 3.27Å; L67-V71 WeakPolarHBondContact O-CG2 3.35Å; L67-V71 PolarHBondContact O-N 3.32Å; L67-C89 HydrophobicContact CD1-CB 4.42Å; L67-F91 HydrophobicContact CD1-CE2 4.22Å; L67-F91 HydrophobicContact CD1-CZ 4.06Å
68I92Very high87Confident28 Ų2866.6 Ų66.614%0.14434%0.342CS..Hα-helixtrans-58-55.4176.1-75.9164.3000109.8F33 L35 K64 V65 A66 L70 V71 E72 H79F33-I68 HydrophobicContact CE2-CG1 4.5Å; F33-I68 HydrophobicContact CZ-CG1 4.44Å; F33-I68 HydrophobicContact CZ-CG2 4.34Å; L35-I68 HydrophobicContact CB-CG1 4.04Å; L35-I68 HydrophobicContact CD2-CD1 4.44Å; L35-I68 HydrophobicContact CD2-CG1 3.8Å; K64-I68 WeakPolarHBondContact O-CB 3.49Å; K64-I68 WeakPolarHBondContact O-CD1 3.42Å; K64-I68 WeakPolarHBondContact O-CG1 3.49Å; K64-I68 PolarHBondContact O-N 3.28Å; V65-I68 PolarHBondContact O-N 2.82Å; A66-I68 PolarHBondContact O-N 3.1Å; I68-L70 VanDerWaalsContact C-N 3.25Å; I68-L70 PolarHBondContact O-N 2.89Å; I68-V71 PolarHBondContact O-N 3.21Å; I68-V71 VanDerWaalsContact O-N 3.14Å; I68-E72 HydrophobicContact CG2-CG 4.32Å; I68-E72 WeakPolarHBondContact O-CG 3.43Å; I68-E72 PolarHBondContact O-N 2.87Å; I68-H79 HydrophobicContact CG1-CB 4.39Å; I68-H79 HydrophobicContact CG2-CB 3.52Å
69H90Very high87.8Confident108 Ų10867 Ų6750%0.534%0.341SS..Hα-helixtrans-61.4-38.2-175.9-16753.5000112V65 A66 E72 I73V65-H69 WeakPolarHBondContact O-CB 3.38Å; V65-H69 PolarHBondContact O-N 3.49Å; A66-H69 PolarHBondContact O-N 3.21Å; H69-E72 PolarHBondContact O-N 2.8Å; H69-I73 WeakPolarHBondContact NE2-CD1 3.29Å; H69-I73 WeakPolarHBondContact O-CB 3.44Å; H69-I73 VanDerWaalsContact O-CG1 3.27Å; H69-I73 WeakPolarHBondContact O-CG1 3.17Å; H69-I73 PolarHBondContact O-N 2.73Å
70L87.2Confident88.7Confident48 Ų4866.1 Ų66.125%0.25134%0.343SS..Hα-helixtrans-65.1-43.5176.5-74.7172.9000112.6F16 A66 L67 I68 Q74F16-L70 HydrophobicContact CD2-CB 4.08Å; F16-L70 HydrophobicContact CD2-CD1 4.19Å; F16-L70 HydrophobicContact CE2-CB 3.45Å; F16-L70 VanDerWaalsContact CE2-CB 3.45Å; F16-L70 HydrophobicContact CE2-CD1 4.3Å; F16-L70 HydrophobicContact CE2-CD2 4.42Å; F16-L70 HydrophobicContact CE2-CG 4.28Å; F16-L70 HydrophobicContact CZ-CB 3.92Å; F16-L70 HydrophobicContact CZ-CD2 4.18Å; A66-L70 WeakPolarHBondContact O-CB 3.35Å; A66-L70 WeakPolarHBondContact O-CG 3.41Å; A66-L70 PolarHBondContact O-N 3.5Å; L67-L70 PolarHBondContact O-N 3.26Å; I68-L70 VanDerWaalsContact C-N 3.25Å; I68-L70 PolarHBondContact O-N 2.89Å; L70-Q74 WeakPolarHBondContact O-CG 3.39Å; L70-Q74 PolarHBondContact O-N 3.14Å
71V89.7Confident89Confident0 Ų069.7 Ų69.70%036%0.364CS..Hα-helixtrans-63.4-44.1174.71730000110.5L19 M20 L23 F33 L67 I68 I73 Q74 T75 I87L19-V71 HydrophobicContact CD2-CG2 3.92Å; M20-V71 HydrophobicContact CE-CG2 3.98Å; L23-V71 HydrophobicContact CD1-CG1 4.39Å; F33-V71 HydrophobicContact CD1-CG1 4.02Å; F33-V71 HydrophobicContact CD2-CG1 4.33Å; F33-V71 HydrophobicContact CE1-CB 4.13Å; F33-V71 HydrophobicContact CE1-CG1 3.59Å; F33-V71 HydrophobicContact CE2-CB 4.14Å; F33-V71 HydrophobicContact CE2-CG1 3.92Å; F33-V71 HydrophobicContact CE2-CG2 4.46Å; F33-V71 HydrophobicContact CG-CG1 4.37Å; F33-V71 HydrophobicContact CZ-CB 3.67Å; F33-V71 HydrophobicContact CZ-CG1 3.54Å; F33-V71 HydrophobicContact CZ-CG2 4.44Å; L67-V71 VanDerWaalsContact O-CG2 3.27Å; L67-V71 WeakPolarHBondContact O-CG2 3.35Å; L67-V71 PolarHBondContact O-N 3.32Å; I68-V71 PolarHBondContact O-N 3.21Å; I68-V71 VanDerWaalsContact O-N 3.14Å; V71-I73 PolarHBondContact O-N 3.03Å; V71-Q74 PolarHBondContact O-N 3Å; V71-T75 HydrophobicContact CG1-CG2 4.31Å; V71-T75 WeakPolarHBondContact O-CB 3.42Å; V71-T75 WeakPolarHBondContact O-CG2 3.27Å; V71-T75 PolarHBondContact O-N 2.9Å; V71-T75 PolarHBondContact O-OG1 2.82Å; V71-I87 HydrophobicContact CG1-CD1 3.97Å; V71-I87 HydrophobicContact CG2-CD1 4.3Å
72E92.6Very high89.2Confident62 Ų6271.9 Ų71.929%0.2938%0.379SS..Hα-helixtrans-60.3-45.4178.4-72.2-176.8144.300112F33 I68 H69 Q74 G76 I77 H79F33-E72 HydrophobicContact CE1-CG 3.94Å; F33-E72 HydrophobicContact CZ-CG 4.38Å; I68-E72 HydrophobicContact CG2-CG 4.32Å; I68-E72 WeakPolarHBondContact O-CG 3.43Å; I68-E72 PolarHBondContact O-N 2.87Å; H69-E72 PolarHBondContact O-N 2.8Å; E72-Q74 PolarHBondContact O-N 3.39Å; E72-G76 VanDerWaalsContact O-CA 3.23Å; E72-G76 WeakPolarHBondContact O-CA 3.34Å; E72-G76 PolarHBondContact O-N 3.17Å; E72-I77 WeakPolarHBondContact CG-O 3.38Å; E72-H79 PolarHBondContact OE1-N 3.3Å
73I88.8Confident89.4Confident103 Ų10368.4 Ų68.453%0.52836%0.361SS..Hα-helixtrans-62.5-44.2178.9-73166.4000111.5H69 V71H69-I73 WeakPolarHBondContact NE2-CD1 3.29Å; H69-I73 WeakPolarHBondContact O-CB 3.44Å; H69-I73 VanDerWaalsContact O-CG1 3.27Å; H69-I73 WeakPolarHBondContact O-CG1 3.17Å; H69-I73 PolarHBondContact O-N 2.73Å; V71-I73 PolarHBondContact O-N 3.03Å
74Q85.7Confident89.6Confident109 Ų10970.3 Ų70.351%0.50937%0.367SS..Hα-helixtrans-80.8-32.2-173.8-68.7-60.3-41.900113.8F16 M20 L70 V71 E72F16-Q74 HydrophobicContact CE1-CG 4.08Å; F16-Q74 HydrophobicContact CE2-CG 4.31Å; F16-Q74 HydrophobicContact CZ-CB 4.49Å; F16-Q74 HydrophobicContact CZ-CG 3.39Å; M20-Q74 HydrophobicContact CG-CG 4.41Å; M20-Q74 HydrophobicContact SD-CB 3.53Å; M20-Q74 VanDerWaalsContact SD-CB 3.53Å; M20-Q74 HydrophobicContact SD-CG 3.74Å; L70-Q74 WeakPolarHBondContact O-CG 3.39Å; L70-Q74 PolarHBondContact O-N 3.14Å; V71-Q74 PolarHBondContact O-N 3Å; E72-Q74 PolarHBondContact O-N 3.39Å
75T88.1Confident89.9Confident50 Ų5067.3 Ų67.331%0.30735%0.354SS..Hα-helixtrans-107.8-20.6-172.468.70000113.2L23 V71 I77L23-T75 HydrophobicContact CD1-CG2 4.15Å; V71-T75 HydrophobicContact CG1-CG2 4.31Å; V71-T75 WeakPolarHBondContact O-CB 3.42Å; V71-T75 WeakPolarHBondContact O-CG2 3.27Å; V71-T75 PolarHBondContact O-N 2.9Å; V71-T75 PolarHBondContact O-OG1 2.82Å; T75-I77 PolarHBondContact O-N 3.33Å; T75-I77 WeakPolarHBondContact OG1-CB 3.47Å; T75-I77 WeakPolarHBondContact OG1-CG1 3.21Å; T75-I77 PolarHBondContact OG1-N 2.73Å; T75-I77 VanDerWaalsContact OG1-N 3.16Å
76G89.1Confident90.2Very high59 Ų5963 Ų6361%0.60833%0.328SS*.  trans69.6-1.9-169.200000114.3E72E72-G76 VanDerWaalsContact O-CA 3.23Å; E72-G76 WeakPolarHBondContact O-CA 3.34Å; E72-G76 PolarHBondContact O-N 3.17Å
77I91.4Very high90.5Very high18 Ų1860.7 Ų60.79%0.09231%0.309CS..PPolyproline II helixtrans-75.4128.7177.6-54.3168.5000107.8V30 C31 F33 E72 T75V30-I77 HydrophobicContact CG2-CD1 3.74Å; V30-I77 HydrophobicContact CG2-CG1 4.35Å; V30-I77 HydrophobicContact CG2-CG2 4.04Å; C31-I77 WeakPolarHBondContact O-CG2 3.39Å; F33-I77 HydrophobicContact CB-CG2 4.12Å; F33-I77 HydrophobicContact CD1-CB 4.13Å; F33-I77 HydrophobicContact CD1-CG2 3.77Å; F33-I77 WeakPolarHBondContact CE1-O 3.39Å; F33-I77 HydrophobicContact CG-CG2 4.42Å; E72-I77 WeakPolarHBondContact CG-O 3.38Å; T75-I77 PolarHBondContact O-N 3.33Å; T75-I77 WeakPolarHBondContact OG1-CB 3.47Å; T75-I77 WeakPolarHBondContact OG1-CG1 3.21Å; T75-I77 PolarHBondContact OG1-N 2.73Å; T75-I77 VanDerWaalsContact OG1-N 3.16Å
78R93.9Very high90.7Very high191 Ų19161.5 Ų61.572%0.72131%0.313SS*.EExtended strand (participates in β ladder)trans-82.5145.3-177.4-63.6-178.8-176.11750.6111.7C31 T32 F33C31-R78 PolarHBondContact O-N 2.72Å; C31-R78 VanDerWaalsContact O-N 3.12Å; T32-R78 CarbonylContact C-O 3.57Å; T32-R78 WeakPolarHBondContact CA-O 3.32Å; F33-R78 WeakPolarHBondContact CD1-O 3.35Å; F33-R78 PolarHBondContact N-O 3.06Å
79H95Very high90.7Very high55 Ų5560.2 Ų60.226%0.25531%0.307SS..EExtended strand (participates in β ladder)trans-75.4132.4172.7177.6-95.4000111.7F33 I68 E72F33-H79 HydrophobicContact CE1-CB 3.87Å; F33-H79 HydrophobicContact CE2-CB 4.48Å; F33-H79 AromaticContact CE2-CD2 3.93Å; F33-H79 HydrophobicContact CZ-CB 3.85Å; F33-H79 CarbonylContact O-C 3.56Å; F33-H79 WeakPolarHBondContact O-CA 3.43Å; F33-H79 PolarHBondContact O-CD2 2.82Å; I68-H79 HydrophobicContact CG1-CB 4.39Å; I68-H79 HydrophobicContact CG2-CB 3.52Å; E72-H79 PolarHBondContact OE1-N 3.3Å
80D93.9Very high90.7Very high69 Ų6956 Ų5637%0.36929%0.291SS..  trans-144.6139173.8-171.2-73.7000109.1T32 F33 K34 N82 G83T32-D80 HydrophobicContact CG2-CB 3.97Å; F33-D80 CarbonylContact C-O 3.57Å; F33-D80 PolarHBondContact O-N 3.11Å; K34-D80 WeakPolarHBondContact CA-O 3.5Å; K34-D80 VanDerWaalsContact CB-O 3.26Å; K34-D80 WeakPolarHBondContact CB-O 3.41Å; D80-N82 PolarHBondContact O-N 3.03Å; D80-N82 VanDerWaalsContact OD1-CA 3.31Å; D80-N82 WeakPolarHBondContact OD1-CA 3.48Å; D80-N82 WeakPolarHBondContact OD1-CB 3.2Å; D80-N82 PolarHBondContact OD1-N 3.47Å; D80-G83 PolarHBondContact O-N 3.34Å; D80-G83 PolarHBondContact OD1-N 3.4Å
81L90Very high90.7Very high138 Ų13854.4 Ų54.472%0.72328%0.282SS*.THydrogen-bonded Turntrans-63.8-26.2-179.1-65.9175.1000113K34K34-L81 WeakPolarHBondContact CD-O 3.32Å
82N87.6Confident90.5Very high141 Ų14156.9 Ų56.975%0.75430%0.302SS*.THydrogen-bonded Turntrans-102.818.2174.4-58.5-47.6000112D80 K84D80-N82 PolarHBondContact O-N 3.03Å; D80-N82 VanDerWaalsContact OD1-CA 3.31Å; D80-N82 WeakPolarHBondContact OD1-CA 3.48Å; D80-N82 WeakPolarHBondContact OD1-CB 3.2Å; D80-N82 PolarHBondContact OD1-N 3.47Å; N82-K84 PolarHBondContact O-N 2.68Å
83G87.1Confident90.1Very high0 Ų054.7 Ų54.70%029%0.293CS..  trans-53.5138.4179.800000112.6T32 D80 L85T32-G83 WeakPolarHBondContact OG1-CA 3.31Å; D80-G83 PolarHBondContact O-N 3.34Å; D80-G83 PolarHBondContact OD1-N 3.4Å; G83-L85 VanDerWaalsContact C-N 3.29Å; G83-L85 PolarHBondContact O-N 2.86Å
84K87.4Confident89.9Confident77 Ų7757.1 Ų57.134%0.33530%0.299SS..SBendtrans-64.6-34.7-177-70.4-162-178-168.20112.1V30 T32 N82 T156 E157 C237V30-K84 HydrophobicContact CG1-CB 4.41Å; T32-K84 PolarHBondContact O-N 3.42Å; N82-K84 PolarHBondContact O-N 2.68Å; K84-T156 WeakPolarHBondContact O-CA 3.34Å; K84-E157 PolarHBondContact O-N 3.3Å; K84-C237 HydrophobicContact CD-CB 3.81Å; K84-C237 PolarHBondContact NZ-O 3.11Å
85L94.1Very high89.7Confident0 Ų055.4 Ų55.40%029%0.292CS..EExtended strand (participates in β ladder)trans-90.5121.6173.5176.563.8000110.5L23 Y28 V30 T32 F33 K34 G83 I87 L154 T156L23-L85 HydrophobicContact CD2-CD2 3.9Å; Y28-L85 HydrophobicContact CD1-CD1 4.12Å; Y28-L85 HydrophobicContact CD2-CD1 4.04Å; Y28-L85 HydrophobicContact CD2-CD2 4.3Å; Y28-L85 HydrophobicContact CE1-CD1 4.17Å; Y28-L85 HydrophobicContact CE2-CD1 4.04Å; Y28-L85 HydrophobicContact CG-CD1 4.09Å; Y28-L85 HydrophobicContact CG-CD2 4.34Å; V30-L85 HydrophobicContact CB-CB 4.49Å; V30-L85 HydrophobicContact CG1-CB 4.33Å; V30-L85 HydrophobicContact CG2-CB 3.87Å; V30-L85 HydrophobicContact CG2-CD2 4.02Å; T32-L85 PolarHBondContact O-N 2.87Å; F33-L85 CarbonylContact C-O 3.44Å; F33-L85 WeakPolarHBondContact CA-O 3.15Å; F33-L85 HydrophobicContact CB-CB 4.02Å; F33-L85 HydrophobicContact CB-CD2 4.28Å; F33-L85 HydrophobicContact CB-CG 4.27Å; F33-L85 WeakPolarHBondContact CB-O 3.34Å; K34-L85 PolarHBondContact N-O 2.87Å; G83-L85 VanDerWaalsContact C-N 3.29Å; G83-L85 PolarHBondContact O-N 2.86Å; L85-I87 HydrophobicContact CD2-CD1 4.35Å; L85-I87 HydrophobicContact CD2-CG1 4.23Å; L85-I87 HydrophobicContact CG-CG1 4.12Å; L85-L154 HydrophobicContact CD1-CB 4.41Å; L85-T156 HydrophobicContact CB-CG2 4.47Å; L85-T156 HydrophobicContact CD1-CG2 3.94Å
86S94.8Very high89.5Confident5 Ų553.6 Ų53.64%0.03528%0.28CS..EExtended strand (participates in β ladder)trans-95122.3170.2-42.70000109.1K34 M155K34-S86 WeakPolarHBondContact CE-OG 3.37Å; S86-M155 WeakPolarHBondContact CA-O 3.19Å; S86-M155 VanDerWaalsContact CB-O 3.29Å; S86-M155 WeakPolarHBondContact CB-O 3.31Å; S86-M155 PolarHBondContact N-O 3.24Å; S86-M155 PolarHBondContact O-N 2.78Å; S86-M155 PolarHBondContact OG-O 3.04Å
87I94.3Very high89.4Confident1 Ų152.2 Ų52.21%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-105.7110.5171-55.6-177.1000107.1L19 L23 F33 K34 L35 L36 V71 L85 L154L19-I87 HydrophobicContact CD1-CG2 3.63Å; L19-I87 HydrophobicContact CD2-CG2 4.34Å; L23-I87 HydrophobicContact CD1-CD1 4.16Å; L23-I87 HydrophobicContact CD2-CD1 4.07Å; F33-I87 HydrophobicContact CB-CD1 4.35Å; F33-I87 HydrophobicContact CD2-CD1 3.58Å; F33-I87 HydrophobicContact CD2-CG1 4.05Å; F33-I87 HydrophobicContact CE2-CD1 4.12Å; F33-I87 HydrophobicContact CG-CD1 4.08Å; K34-I87 PolarHBondContact O-N 2.9Å; L35-I87 HydrophobicContact CD1-CB 4.03Å; L35-I87 HydrophobicContact CD1-CG2 3.9Å; L36-I87 PolarHBondContact N-O 3.24Å; V71-I87 HydrophobicContact CG1-CD1 3.97Å; V71-I87 HydrophobicContact CG2-CD1 4.3Å; L85-I87 HydrophobicContact CD2-CD1 4.35Å; L85-I87 HydrophobicContact CD2-CG1 4.23Å; L85-I87 HydrophobicContact CG-CG1 4.12Å; I87-L154 HydrophobicContact CB-CD2 4.3Å; I87-L154 HydrophobicContact CG1-CD2 3.9Å; I87-L154 HydrophobicContact CG2-CD2 4.02Å
88L93.2Very high89.2Confident30 Ų3056.4 Ų56.416%0.15728%0.278CS..EExtended strand (participates in β ladder)trans-96.6118.9171.517564.2000109.2L36 E38 T152 K153L36-L88 HydrophobicContact CB-CB 4.45Å; L36-L88 HydrophobicContact CB-CD1 3.76Å; L36-L88 WeakPolarHBondContact O-CA 3.46Å; E38-L88 HydrophobicContact CG-CD1 4.03Å; L88-T152 CarbonylContact O-C 3.53Å; L88-T152 VanDerWaalsContact O-CA 3.3Å; L88-T152 WeakPolarHBondContact O-CA 3.41Å; L88-K153 HydrophobicContact CB-CB 4.28Å; L88-K153 PolarHBondContact N-O 3.01Å; L88-K153 PolarHBondContact O-N 3.32Å
89C90.9Very high88.8Confident0 Ų050.3 Ų50.30%026%0.255CS..EExtended strand (participates in β ladder)trans-108105.8168.9-61.10000108.8L36 T37 E38 L67 F91L36-C89 PolarHBondContact O-N 3.14Å; T37-C89 WeakPolarHBondContact CA-O 3.45Å; T37-C89 HydrophobicContact CG2-CB 4.44Å; E38-C89 PolarHBondContact N-O 2.76Å; L67-C89 HydrophobicContact CD1-CB 4.42Å; C89-F91 HydrophobicContact CB-CD2 4.38Å; C89-F91 HydrophobicContact CB-CE2 3.58Å; C89-F91 HydrophobicContact CB-CZ 4.14Å; C89-F91 WeakPolarHBondContact O-CD2 3.39Å
90A89.4Confident88.5Confident21 Ų2147.7 Ų47.717%0.17424%0.243CC..EExtended strand (participates in β ladder)trans-99.4117.7178.600000110.2E38 V150 Q151E38-A90 HydrophobicContact CB-CB 4.23Å; A90-V150 WeakPolarHBondContact O-CA 3.37Å; A90-Q151 PolarHBondContact N-O 2.91Å; A90-Q151 PolarHBondContact O-N 3.38Å
91F87.2Confident88.3Confident13 Ų1345.6 Ų45.66%0.05723%0.231CC..EExtended strand (participates in β ladder)trans-104.7125.3180-62.3-96.3000109.1F11 T15 E38 L39 P40 L63 L67 C89 N149 V150F11-F91 HydrophobicContact CE1-CD1 4.28Å; F11-F91 AromaticContact CE1-CE1 3.96Å; F11-F91 HydrophobicContact CE1-CE1 3.96Å; F11-F91 AromaticContact CZ-CD1 3.72Å; F11-F91 HydrophobicContact CZ-CD1 3.72Å; F11-F91 AromaticContact CZ-CE1 3.71Å; F11-F91 HydrophobicContact CZ-CE1 3.71Å; T15-F91 HydrophobicContact CG2-CE1 4.17Å; T15-F91 HydrophobicContact CG2-CZ 4.32Å; E38-F91 WeakPolarHBondContact O-CB 3.26Å; E38-F91 WeakPolarHBondContact O-CD2 3.48Å; E38-F91 PolarHBondContact O-N 2.87Å; L39-F91 HydrophobicContact CD2-CB 3.95Å; L39-F91 HydrophobicContact CD2-CD2 3.73Å; L39-F91 HydrophobicContact CD2-CE2 4.48Å; L39-F91 HydrophobicContact CD2-CG 3.92Å; P40-F91 VanDerWaalsContact CD-O 3.23Å; P40-F91 WeakPolarHBondContact CD-O 3.31Å; L63-F91 HydrophobicContact CD2-CD2 4.29Å; L63-F91 HydrophobicContact CD2-CE1 4.46Å; L63-F91 HydrophobicContact CD2-CE2 3.81Å; L63-F91 HydrophobicContact CD2-CZ 3.93Å; L67-F91 HydrophobicContact CD1-CE2 4.22Å; L67-F91 HydrophobicContact CD1-CZ 4.06Å; C89-F91 HydrophobicContact CB-CD2 4.38Å; C89-F91 HydrophobicContact CB-CE2 3.58Å; C89-F91 HydrophobicContact CB-CZ 4.14Å; C89-F91 WeakPolarHBondContact O-CD2 3.39Å; F91-N149 WeakPolarHBondContact CA-O 3.33Å; F91-V150 HydrophobicContact CD1-CB 4.3Å; F91-V150 HydrophobicContact CD1-CG1 4Å; F91-V150 HydrophobicContact CD1-CG2 3.39Å; F91-V150 HydrophobicContact CE1-CB 4.31Å; F91-V150 HydrophobicContact CE1-CG1 3.81Å; F91-V150 HydrophobicContact CE1-CG2 3.49Å; F91-V150 VanDerWaalsContact CE1-CG2 3.49Å; F91-V150 HydrophobicContact CE2-CG1 4.49Å; F91-V150 HydrophobicContact CG-CG1 4.41Å; F91-V150 HydrophobicContact CG-CG2 4.35Å; F91-V150 HydrophobicContact CZ-CG1 4.06Å
92A85.4Confident88.3Confident52 Ų5241.9 Ų41.943%0.4322%0.22SC..EExtended strand (participates in β ladder)trans-125.3136.2179.700000110.9N149A92-N149 PolarHBondContact N-O 2.98Å; A92-N149 PolarHBondContact O-N 3.3Å
93N85.5Confident88.4Confident16 Ų1635.8 Ų35.89%0.08619%0.187CC..  trans-139.182.8169.8-168-28.6000108.9P40 M95 E96 D97 R146P40-N93 HydrophobicContact CB-CB 4.3Å; P40-N93 HydrophobicContact CG-CB 3.96Å; N93-M95 VanDerWaalsContact C-N 3.26Å; N93-M95 PolarHBondContact O-N 2.89Å; N93-E96 HydrophobicContact CB-CB 4.17Å; N93-E96 WeakPolarHBondContact ND2-CG 3.42Å; N93-E96 PolarHBondContact O-N 2.92Å; N93-E96 WeakPolarHBondContact OD1-CG 3.29Å; N93-E96 PolarHBondContact OD1-N 2.87Å; N93-E96 VanDerWaalsContact OD1-N 3.11Å; N93-D97 PolarHBondContact O-N 2.82Å; N93-R146 PolarHBondContact ND2-O 2.97Å
94K83.6Confident88.6Confident154 Ų15435.8 Ų35.867%0.6719%0.187SC*.Hα-helixtrans-56.7-41-175-176.4175.8171.6-179.60112.1D97 E98K94-D97 PolarHBondContact O-N 3.23Å; K94-E98 WeakPolarHBondContact CE-OE1 3.09Å; K94-E98 HydrophobicContact CG-CG 4.39Å; K94-E98 IonicContact NZ-OE1 3.72Å; K94-E98 WeakPolarHBondContact O-CB 3.48Å; K94-E98 VanDerWaalsContact O-CG 3.27Å; K94-E98 WeakPolarHBondContact O-CG 3.24Å; K94-E98 PolarHBondContact O-N 2.7Å
95M82.7Confident88.8Confident73 Ų7336.6 Ų36.636%0.3619%0.191SC..Hα-helixtrans-65.3-43.3-179.6-173.9-168.775.900112.2N93 E98 R99 R146N93-M95 VanDerWaalsContact C-N 3.26Å; N93-M95 PolarHBondContact O-N 2.89Å; M95-E98 PolarHBondContact O-N 3.12Å; M95-R99 WeakPolarHBondContact O-CB 3.42Å; M95-R99 PolarHBondContact O-N 3.38Å; M95-R146 HydrophobicContact CE-CB 4.17Å; M95-R146 HydrophobicContact CE-CG 3.99Å
96E83.7Confident88.7Confident12 Ų1241 Ų416%0.05622%0.221CC..Hα-helixtrans-70.9-33.9177.6-73.2-71.5114.500112.2C42 R46 N93 R99 L100C42-E96 VanDerWaalsContact SG-CB 3.6Å; R46-E96 IonicContact CZ-OE2 3.22Å; R46-E96 VanDerWaalsContact CZ-OE2 3.22Å; R46-E96 IonicContact NH1-OE2 2.81Å; R46-E96 PolarHBondContact NH1-OE2 3.11Å; R46-E96 IonicContact NH2-OE2 2.74Å; R46-E96 PolarHBondContact NH2-OE2 3.11Å; N93-E96 HydrophobicContact CB-CB 4.17Å; N93-E96 WeakPolarHBondContact ND2-CG 3.42Å; N93-E96 PolarHBondContact O-N 2.92Å; N93-E96 WeakPolarHBondContact OD1-CG 3.29Å; N93-E96 PolarHBondContact OD1-N 2.87Å; N93-E96 VanDerWaalsContact OD1-N 3.11Å; E96-R99 PolarHBondContact O-N 3.48Å; E96-R99 IonicContact OE1-NH1 3.49Å; E96-R99 PolarHBondContact OE1-NH1 2.91Å; E96-R99 IonicContact OE2-NH1 3.92Å; E96-L100 PolarHBondContact O-N 3.21Å
97D85.9Confident88.5Confident30 Ų3042.1 Ų42.116%0.1623%0.227CC..Hα-helixtrans-67.3-42.2172.3-73.5-20.2000111.1V41 C42 N93 K94 R99 L100 F101V41-D97 PolarHBondContact N-OD1 3.2Å; V41-D97 PolarHBondContact N-OD2 3.02Å; C42-D97 WeakPolarHBondContact CB-OD1 3.38Å; C42-D97 PolarHBondContact N-OD1 3.31Å; C42-D97 PolarHBondContact SG-OD1 3.41Å; N93-D97 PolarHBondContact O-N 2.82Å; K94-D97 PolarHBondContact O-N 3.23Å; D97-R99 PolarHBondContact O-N 2.92Å; D97-L100 WeakPolarHBondContact O-CB 3.43Å; D97-L100 PolarHBondContact O-N 2.88Å; D97-F101 WeakPolarHBondContact O-CD2 3.46Å; D97-F101 PolarHBondContact O-N 3.25Å; D97-F101 VanDerWaalsContact O-N 3.08Å
98E87.4Confident88.3Confident107 Ų10743.7 Ų43.750%0.524%0.236SC..Hα-helixtrans-61.9-41.3172.7-76.6171.4170.800112K94 M95 F101 A102K94-E98 WeakPolarHBondContact CE-OE1 3.09Å; K94-E98 HydrophobicContact CG-CG 4.39Å; K94-E98 IonicContact NZ-OE1 3.72Å; K94-E98 WeakPolarHBondContact O-CB 3.48Å; K94-E98 VanDerWaalsContact O-CG 3.27Å; K94-E98 WeakPolarHBondContact O-CG 3.24Å; K94-E98 PolarHBondContact O-N 2.7Å; M95-E98 PolarHBondContact O-N 3.12Å; E98-F101 PolarHBondContact O-N 3.11Å; E98-A102 WeakPolarHBondContact O-CB 3.41Å; E98-A102 PolarHBondContact O-N 3.36Å
99R86.7Confident88.1Confident62 Ų6245.3 Ų45.323%0.23426%0.26CS..Hα-helixtrans-60.8-44.1174.3178.2-179.5164.7-165.2-3.9111.6M95 E96 D97 F101 A102 I103 Q138 T140 T142M95-R99 WeakPolarHBondContact O-CB 3.42Å; M95-R99 PolarHBondContact O-N 3.38Å; E96-R99 PolarHBondContact O-N 3.48Å; E96-R99 IonicContact OE1-NH1 3.49Å; E96-R99 PolarHBondContact OE1-NH1 2.91Å; E96-R99 IonicContact OE2-NH1 3.92Å; D97-R99 PolarHBondContact O-N 2.92Å; R99-F101 VanDerWaalsContact C-N 3.33Å; R99-F101 PolarHBondContact O-N 2.99Å; R99-A102 PolarHBondContact O-N 3.41Å; R99-I103 HydrophobicContact CG-CD1 3.94Å; R99-I103 HydrophobicContact CG-CG1 4.5Å; R99-I103 VanDerWaalsContact O-CG1 3.29Å; R99-I103 WeakPolarHBondContact O-CG1 3.3Å; R99-I103 PolarHBondContact O-N 2.86Å; R99-Q138 PolarHBondContact NH2-O 3.11Å; R99-T140 PolarHBondContact NH2-O 2.68Å; R99-T142 PolarHBondContact NH1-OG1 3.44Å
100L87.7Confident87.9Confident0 Ų050.5 Ų50.50%029%0.285CS..Hα-helixtrans-56.5-48.1174.3167.670.9000111.2V41 C42 I45 E96 D97 A102 I103 L104 L120 L135 L139V41-L100 HydrophobicContact CG1-CD2 4.43Å; C42-L100 HydrophobicContact CB-CB 4.04Å; C42-L100 HydrophobicContact CB-CD2 3.94Å; I45-L100 HydrophobicContact CG1-CD2 4.26Å; I45-L100 HydrophobicContact CG2-CD1 4.32Å; E96-L100 PolarHBondContact O-N 3.21Å; D97-L100 WeakPolarHBondContact O-CB 3.43Å; D97-L100 PolarHBondContact O-N 2.88Å; L100-A102 VanDerWaalsContact C-N 3.34Å; L100-A102 PolarHBondContact O-N 2.99Å; L100-I103 PolarHBondContact O-N 2.87Å; L100-L104 HydrophobicContact CD1-CD1 4.17Å; L100-L104 HydrophobicContact CD1-CG 4.43Å; L100-L104 HydrophobicContact CG-CD1 4.2Å; L100-L104 WeakPolarHBondContact O-CG 3.3Å; L100-L104 PolarHBondContact O-N 2.84Å; L100-L120 HydrophobicContact CD2-CD2 3.44Å; L100-L120 VanDerWaalsContact CD2-CD2 3.44Å; L100-L120 HydrophobicContact CG-CD2 4.34Å; L100-L135 HydrophobicContact CD1-CD1 4.34Å; L100-L139 HydrophobicContact CB-CD2 4.24Å; L100-L139 HydrophobicContact CD1-CD1 3.65Å; L100-L139 HydrophobicContact CD1-CD2 3.73Å; L100-L139 HydrophobicContact CD1-CG 4.21Å
101F90.3Very high87.7Confident25 Ų2556.8 Ų56.811%0.1131%0.31CS..Hα-helixtrans-65.2-37.2178.9-70.2-59.7000112.3D97 E98 R99 L104 K105 L112 L115 L120D97-F101 WeakPolarHBondContact O-CD2 3.46Å; D97-F101 PolarHBondContact O-N 3.25Å; D97-F101 VanDerWaalsContact O-N 3.08Å; E98-F101 PolarHBondContact O-N 3.11Å; R99-F101 VanDerWaalsContact C-N 3.33Å; R99-F101 PolarHBondContact O-N 2.99Å; F101-L104 PolarHBondContact O-N 2.74Å; F101-K105 WeakPolarHBondContact O-CB 3.38Å; F101-K105 PolarHBondContact O-N 3.34Å; F101-L112 WeakPolarHBondContact CB-O 3.24Å; F101-L112 HydrophobicContact CD1-CB 3.99Å; F101-L115 HydrophobicContact CE1-CB 4.2Å; F101-L115 HydrophobicContact CZ-CB 4.41Å; F101-L120 HydrophobicContact CD1-CD1 4.38Å; F101-L120 HydrophobicContact CE1-CD1 3.78Å; F101-L120 HydrophobicContact CE1-CD2 4.17Å; F101-L120 HydrophobicContact CZ-CD2 4.43Å
102A89.6Confident87.5Confident60 Ų6057.4 Ų57.450%0.49631%0.314SS..Hα-helixtrans-64-4317500000112.4E98 R99 L100 K105 S106E98-A102 WeakPolarHBondContact O-CB 3.41Å; E98-A102 PolarHBondContact O-N 3.36Å; R99-A102 PolarHBondContact O-N 3.41Å; L100-A102 VanDerWaalsContact C-N 3.34Å; L100-A102 PolarHBondContact O-N 2.99Å; A102-K105 PolarHBondContact O-N 3.45Å; A102-S106 PolarHBondContact O-N 2.82Å
103I89.9Confident87.4Confident13 Ų1358.6 Ų58.67%0.06732%0.319CS..Hα-helixtrans-61.8-47.1175.2-67.6164.6000110.2R99 L100 K105 S106 I107 L135 Q138 L139R99-I103 HydrophobicContact CG-CD1 3.94Å; R99-I103 HydrophobicContact CG-CG1 4.5Å; R99-I103 VanDerWaalsContact O-CG1 3.29Å; R99-I103 WeakPolarHBondContact O-CG1 3.3Å; R99-I103 PolarHBondContact O-N 2.86Å; L100-I103 PolarHBondContact O-N 2.87Å; I103-K105 VanDerWaalsContact C-N 3.31Å; I103-K105 PolarHBondContact O-N 2.94Å; I103-S106 WeakPolarHBondContact O-CB 3.27Å; I103-S106 PolarHBondContact O-N 2.95Å; I103-S106 VanDerWaalsContact O-N 3.07Å; I103-I107 HydrophobicContact CG2-CD1 3.67Å; I103-I107 HydrophobicContact CG2-CG1 4.41Å; I103-I107 WeakPolarHBondContact O-CG1 3.37Å; I103-I107 PolarHBondContact O-N 3.09Å; I103-L135 HydrophobicContact CG2-CD1 3.64Å; I103-Q138 HydrophobicContact CD1-CB 3.98Å; I103-Q138 HydrophobicContact CG1-CB 4.25Å; I103-Q138 HydrophobicContact CG2-CB 3.83Å; I103-Q138 HydrophobicContact CG2-CG 4.49Å; I103-L139 HydrophobicContact CD1-CD2 4.14Å; I103-L139 HydrophobicContact CD1-CG 4.29Å
104L91.1Very high87.1Confident0 Ų065.1 Ų65.10%035%0.354CS..Hα-helixtrans-60.6-40177.9-73.1170.2000112.2L100 F101 S106 I107 T108 L112 L120 F123 I124 L127 L135L100-L104 HydrophobicContact CD1-CD1 4.17Å; L100-L104 HydrophobicContact CD1-CG 4.43Å; L100-L104 HydrophobicContact CG-CD1 4.2Å; L100-L104 WeakPolarHBondContact O-CG 3.3Å; L100-L104 PolarHBondContact O-N 2.84Å; F101-L104 PolarHBondContact O-N 2.74Å; L104-S106 VanDerWaalsContact C-N 3.32Å; L104-I107 PolarHBondContact O-N 2.67Å; L104-T108 WeakPolarHBondContact O-CB 3.02Å; L104-T108 WeakPolarHBondContact O-CG2 3.29Å; L104-T108 PolarHBondContact O-N 3.13Å; L104-T108 PolarHBondContact O-OG1 3.02Å; L104-L112 HydrophobicContact CB-CD1 4.01Å; L104-L112 HydrophobicContact CD1-CD1 4.26Å; L104-L120 HydrophobicContact CD1-CD1 3.56Å; L104-L120 HydrophobicContact CD1-CG 4.45Å; L104-F123 HydrophobicContact CD2-CD1 4.48Å; L104-F123 HydrophobicContact CD2-CE1 4.22Å; L104-I124 HydrophobicContact CD2-CG1 4.34Å; L104-L127 HydrophobicContact CD2-CD1 4.09Å; L104-L135 HydrophobicContact CD2-CD1 3.75Å; L104-L135 HydrophobicContact CD2-CD2 3.7Å; L104-L135 HydrophobicContact CD2-CG 4.34Å; L104-L135 HydrophobicContact CG-CD1 4.11Å
105K91Very high87Confident95 Ų9560 Ų6041%0.41333%0.333SS..Hα-helixtrans-61.8-40.9173.6-176.5175.1-179172.40111.5F101 A102 I103 G109 Q110 E111F101-K105 WeakPolarHBondContact O-CB 3.38Å; F101-K105 PolarHBondContact O-N 3.34Å; A102-K105 PolarHBondContact O-N 3.45Å; I103-K105 VanDerWaalsContact C-N 3.31Å; I103-K105 PolarHBondContact O-N 2.94Å; K105-G109 WeakPolarHBondContact O-CA 3.36Å; K105-G109 PolarHBondContact O-N 3.3Å; K105-Q110 WeakPolarHBondContact CA-O 3.48Å; K105-E111 IonicContact NZ-OE1 2.74Å; K105-E111 PolarHBondContact NZ-OE1 2.79Å
106S91.5Very high87Confident91 Ų9159.4 Ų59.464%0.63634%0.337SS*.Hα-helixtrans-65.1-37.8177-1710000113.1A102 I103 L104A102-S106 PolarHBondContact O-N 2.82Å; I103-S106 WeakPolarHBondContact O-CB 3.27Å; I103-S106 PolarHBondContact O-N 2.95Å; I103-S106 VanDerWaalsContact O-N 3.07Å; L104-S106 VanDerWaalsContact C-N 3.32Å
107I91Very high86.8Confident30 Ų3062.6 Ų62.615%0.15435%0.35CS..Hα-helixtrans-79.4-37.2-176.7-66.6170.6000111.5I103 L104 Q131 E134 L135I103-I107 HydrophobicContact CG2-CD1 3.67Å; I103-I107 HydrophobicContact CG2-CG1 4.41Å; I103-I107 WeakPolarHBondContact O-CG1 3.37Å; I103-I107 PolarHBondContact O-N 3.09Å; L104-I107 PolarHBondContact O-N 2.67Å; I107-Q131 HydrophobicContact CG2-CB 3.73Å; I107-Q131 HydrophobicContact CG2-CG 3.69Å; I107-E134 HydrophobicContact CD1-CB 4.18Å; I107-E134 HydrophobicContact CD1-CG 3.95Å; I107-E134 HydrophobicContact CG1-CG 4.01Å; I107-L135 HydrophobicContact CD1-CB 3.75Å; I107-L135 HydrophobicContact CD1-CD1 4.19Å
108T90.6Very high86.7Confident33 Ų3366.2 Ų66.220%0.20237%0.374CS..Hα-helixtrans-108.5-15.1-17066.40000114.2L104 Q110 F123 L127L104-T108 WeakPolarHBondContact O-CB 3.02Å; L104-T108 WeakPolarHBondContact O-CG2 3.29Å; L104-T108 PolarHBondContact O-N 3.13Å; L104-T108 PolarHBondContact O-OG1 3.02Å; T108-Q110 PolarHBondContact O-N 2.86Å; T108-Q110 PolarHBondContact OG1-N 3.26Å; T108-F123 HydrophobicContact CG2-CE1 4.04Å; T108-F123 HydrophobicContact CG2-CZ 3.96Å; T108-L127 HydrophobicContact CG2-CD2 3.45Å; T108-L127 VanDerWaalsContact CG2-CD2 3.45Å
109G88.8Confident86.7Confident64 Ų6467.9 Ų67.966%0.6638%0.379SS*.  trans70.4-4.7-16900000114.4K105K105-G109 WeakPolarHBondContact O-CA 3.36Å; K105-G109 PolarHBondContact O-N 3.3Å
110Q87.3Confident86.7Confident110 Ų11064.9 Ų64.951%0.51437%0.368SS..  trans-89.2134.1-176.1-61.1-171600111.4K105 T108 L112K105-Q110 WeakPolarHBondContact CA-O 3.48Å; T108-Q110 PolarHBondContact O-N 2.86Å; T108-Q110 PolarHBondContact OG1-N 3.26Å; Q110-L112 PolarHBondContact O-N 3.05Å
111E85.2Confident86.5Confident153 Ų15367.1 Ų67.172%0.71538%0.379SS*.  trans-80.6114.4176.3-170.5151.9-119.900110.6K105K105-E111 IonicContact NZ-OE1 2.74Å; K105-E111 PolarHBondContact NZ-OE1 2.79Å
112L83.3Confident86.3Confident26 Ų2667.8 Ų67.814%0.13639%0.388CS..  trans-123.9129.5-178.1-57.6165.7000108.6F101 L104 Q110 L115 F123F101-L112 WeakPolarHBondContact CB-O 3.24Å; F101-L112 HydrophobicContact CD1-CB 3.99Å; L104-L112 HydrophobicContact CB-CD1 4.01Å; L104-L112 HydrophobicContact CD1-CD1 4.26Å; Q110-L112 PolarHBondContact O-N 3.05Å; L112-L115 HydrophobicContact CB-CD1 4.18Å; L112-L115 HydrophobicContact CD2-CD1 3.8Å; L112-L115 HydrophobicContact CG-CD1 4.45Å; L112-F123 HydrophobicContact CD1-CD1 3.84Å; L112-F123 HydrophobicContact CD1-CD2 4.34Å; L112-F123 HydrophobicContact CD1-CE1 3.42Å; L112-F123 VanDerWaalsContact CD1-CE1 3.42Å; L112-F123 HydrophobicContact CD1-CE2 3.97Å; L112-F123 HydrophobicContact CD1-CG 4.29Å; L112-F123 HydrophobicContact CD1-CZ 3.5Å; L112-F123 HydrophobicContact CD2-CD2 4.27Å; L112-F123 HydrophobicContact CD2-CE2 4.07Å; L112-F123 HydrophobicContact CD2-CZ 4.4Å; L112-F123 HydrophobicContact CG-CZ 4.47Å
113S83.5Confident86.2Confident76 Ų7666.3 Ų66.353%0.53137%0.371SS..  trans-149.5152.4172.562.50000110.4L115S113-L115 PolarHBondContact O-N 3.12Å
114N78.7Confident86.1Confident153 Ų15366.4 Ų66.482%0.81837%0.371SS*.SBendtrans53.428.4172.6-58.9-36.5000115
115L82.1Confident85.8Confident46 Ų4672.1 Ų72.124%0.24140%0.398CS..  trans-74.8138.6176.6-67.9179.8000110.8F101 L112 S113 K119 L120F101-L115 HydrophobicContact CE1-CB 4.2Å; F101-L115 HydrophobicContact CZ-CB 4.41Å; L112-L115 HydrophobicContact CB-CD1 4.18Å; L112-L115 HydrophobicContact CD2-CD1 3.8Å; L112-L115 HydrophobicContact CG-CD1 4.45Å; S113-L115 PolarHBondContact O-N 3.12Å; L115-K119 HydrophobicContact CB-CB 4.41Å; L115-K119 HydrophobicContact CD2-CB 4.38Å; L115-K119 HydrophobicContact CD2-CD 4.31Å; L115-L120 HydrophobicContact CB-CB 4.3Å; L115-L120 HydrophobicContact CD1-CD1 4.09Å
116S81.9Confident85.8Confident61 Ų6177.6 Ų77.643%0.42742%0.416SS..  trans-63.8154.5171.370.20000110.8T118 K119 L120S116-T118 PolarHBondContact O-N 3.38Å; S116-T118 VanDerWaalsContact O-N 3.12Å; S116-K119 PolarHBondContact O-N 3.3Å; S116-K119 WeakPolarHBondContact OG-CG 3.11Å; S116-K119 PolarHBondContact OG-N 3.31Å; S116-L120 PolarHBondContact O-N 3.35Å
117K80.1Confident85.6Confident79 Ų7973.9 Ų73.934%0.34339%0.389SS..Hα-helixtrans-48-43.4177.7175.9174.3170.9165.10112.6S44 Q121S44-K117 WeakPolarHBondContact OG-CE 3.39Å; S44-K117 PolarHBondContact OG-NZ 2.91Å; K117-Q121 WeakPolarHBondContact O-CB 3.42Å; K117-Q121 PolarHBondContact O-N 2.89Å
118T83.8Confident85.6Confident106 Ų10676.2 Ų76.265%0.6540%0.402SS*.Hα-helixtrans-67.7-43.7-179.5-41.50000112.3S116 Q121 A122S116-T118 PolarHBondContact O-N 3.38Å; S116-T118 VanDerWaalsContact O-N 3.12Å; T118-Q121 PolarHBondContact O-N 3.02Å; T118-A122 PolarHBondContact O-N 2.85Å
119K87Confident85.4Confident142 Ų14277.9 Ų77.962%0.61742%0.415SS*.Hα-helixtrans-66.3-42.5178.5-74-177.3178.2-1770111.5L115 S116 Q121 A122 F123L115-K119 HydrophobicContact CB-CB 4.41Å; L115-K119 HydrophobicContact CD2-CB 4.38Å; L115-K119 HydrophobicContact CD2-CD 4.31Å; S116-K119 PolarHBondContact O-N 3.3Å; S116-K119 WeakPolarHBondContact OG-CG 3.11Å; S116-K119 PolarHBondContact OG-N 3.31Å; K119-Q121 VanDerWaalsContact C-N 3.32Å; K119-Q121 PolarHBondContact O-N 2.71Å; K119-A122 PolarHBondContact O-N 2.97Å; K119-F123 PolarHBondContact O-N 3.43Å
120L86Confident85.5Confident0 Ų081 Ų810%042%0.417CS..Hα-helixtrans-66-37.6177.7-168.366.3000111.7V41 I45 L100 F101 L104 L115 S116 F123 I124V41-L120 HydrophobicContact CG1-CB 4.35Å; V41-L120 HydrophobicContact CG1-CD2 3.36Å; V41-L120 HydrophobicContact CG1-CG 4.47Å; I45-L120 HydrophobicContact CD1-CD2 4.41Å; I45-L120 HydrophobicContact CG1-CD2 3.99Å; L100-L120 HydrophobicContact CD2-CD2 3.44Å; L100-L120 VanDerWaalsContact CD2-CD2 3.44Å; L100-L120 HydrophobicContact CG-CD2 4.34Å; F101-L120 HydrophobicContact CD1-CD1 4.38Å; F101-L120 HydrophobicContact CE1-CD1 3.78Å; F101-L120 HydrophobicContact CE1-CD2 4.17Å; F101-L120 HydrophobicContact CZ-CD2 4.43Å; L104-L120 HydrophobicContact CD1-CD1 3.56Å; L104-L120 HydrophobicContact CD1-CG 4.45Å; L115-L120 HydrophobicContact CB-CB 4.3Å; L115-L120 HydrophobicContact CD1-CD1 4.09Å; S116-L120 PolarHBondContact O-N 3.35Å; L120-F123 WeakPolarHBondContact O-CB 3.41Å; L120-F123 PolarHBondContact O-N 3.43Å; L120-I124 HydrophobicContact CD2-CD1 4.39Å; L120-I124 HydrophobicContact CG-CD1 3.98Å; L120-I124 WeakPolarHBondContact O-CG1 3.26Å; L120-I124 PolarHBondContact O-N 3.4Å
121Q83.4Confident85.6Confident47 Ų4778.2 Ų78.222%0.2240%0.403CS..Hα-helixtrans-62.5-49.3175.2-175.7-172-22.100111.6K117 T118 K119 F123 I124 E125K117-Q121 WeakPolarHBondContact O-CB 3.42Å; K117-Q121 PolarHBondContact O-N 2.89Å; T118-Q121 PolarHBondContact O-N 3.02Å; K119-Q121 VanDerWaalsContact C-N 3.32Å; K119-Q121 PolarHBondContact O-N 2.71Å; Q121-F123 PolarHBondContact O-N 2.93Å; Q121-I124 PolarHBondContact O-N 2.75Å; Q121-I124 VanDerWaalsContact O-N 3.09Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.43Å; Q121-E125 PolarHBondContact NE2-OE1 3.5Å; Q121-E125 WeakPolarHBondContact O-CG 3.32Å; Q121-E125 PolarHBondContact O-N 2.82Å
122A87.2Confident85.7Confident38 Ų3875.6 Ų75.631%0.31439%0.387SS..Hα-helixtrans-60.9-29.5176.900000112.4T118 K119 R126T118-A122 PolarHBondContact O-N 2.85Å; K119-A122 PolarHBondContact O-N 2.97Å; A122-R126 WeakPolarHBondContact O-CG 3.28Å
123F87.6Confident85.8Confident30 Ų3078.4 Ų78.413%0.13240%0.402CS..Hα-helixtrans-67.2-49.5172.3-176.5-91.7000111.6L104 T108 L112 K119 L120 Q121 E125 R126 L127L104-F123 HydrophobicContact CD2-CD1 4.48Å; L104-F123 HydrophobicContact CD2-CE1 4.22Å; T108-F123 HydrophobicContact CG2-CE1 4.04Å; T108-F123 HydrophobicContact CG2-CZ 3.96Å; L112-F123 HydrophobicContact CD1-CD1 3.84Å; L112-F123 HydrophobicContact CD1-CD2 4.34Å; L112-F123 HydrophobicContact CD1-CE1 3.42Å; L112-F123 VanDerWaalsContact CD1-CE1 3.42Å; L112-F123 HydrophobicContact CD1-CE2 3.97Å; L112-F123 HydrophobicContact CD1-CG 4.29Å; L112-F123 HydrophobicContact CD1-CZ 3.5Å; L112-F123 HydrophobicContact CD2-CD2 4.27Å; L112-F123 HydrophobicContact CD2-CE2 4.07Å; L112-F123 HydrophobicContact CD2-CZ 4.4Å; L112-F123 HydrophobicContact CG-CZ 4.47Å; K119-F123 PolarHBondContact O-N 3.43Å; L120-F123 WeakPolarHBondContact O-CB 3.41Å; L120-F123 PolarHBondContact O-N 3.43Å; Q121-F123 PolarHBondContact O-N 2.93Å; F123-E125 VanDerWaalsContact C-N 3.29Å; F123-E125 PolarHBondContact O-N 3.46Å; F123-R126 WeakPolarHBondContact O-CB 3.4Å; F123-R126 PolarHBondContact O-N 2.93Å; F123-R126 VanDerWaalsContact O-N 3.08Å; F123-L127 HydrophobicContact CE1-CD2 3.95Å; F123-L127 HydrophobicContact CZ-CD2 4.35Å
124I86.4Confident86.1Confident15 Ų1579 Ų798%0.07740%0.396CS..Hα-helixtrans-64.7-33.2-178.7-68.7162.5000111.9I45 L104 L120 Q121 R126 L127 L135I45-I124 HydrophobicContact CB-CD1 4.23Å; I45-I124 HydrophobicContact CD1-CD1 3.41Å; I45-I124 VanDerWaalsContact CD1-CD1 3.41Å; I45-I124 HydrophobicContact CG1-CD1 3.61Å; I45-I124 HydrophobicContact CG2-CD1 3.56Å; L104-I124 HydrophobicContact CD2-CG1 4.34Å; L120-I124 HydrophobicContact CD2-CD1 4.39Å; L120-I124 HydrophobicContact CG-CD1 3.98Å; L120-I124 WeakPolarHBondContact O-CG1 3.26Å; L120-I124 PolarHBondContact O-N 3.4Å; Q121-I124 PolarHBondContact O-N 2.75Å; Q121-I124 VanDerWaalsContact O-N 3.09Å; I124-R126 PolarHBondContact O-N 2.92Å; I124-L127 HydrophobicContact CB-CD1 4.49Å; I124-L127 HydrophobicContact CG1-CD1 4.41Å; I124-L127 HydrophobicContact CG2-CD1 4.46Å; I124-L127 WeakPolarHBondContact O-CB 3.45Å; I124-L127 PolarHBondContact O-N 2.79Å; I124-L135 HydrophobicContact CD1-CD2 4.35Å; I124-L135 HydrophobicContact CG1-CD2 4.11Å; I124-L135 HydrophobicContact CG2-CD2 4.16Å
125E86.3Confident86.5Confident120 Ų12071.7 Ų71.756%0.56136%0.357SS*.THydrogen-bonded Turntrans-66.9-19.7175.6-74.5168.6-171.400113.5Q121 F123Q121-E125 WeakPolarHBondContact CG-OE1 3.43Å; Q121-E125 PolarHBondContact NE2-OE1 3.5Å; Q121-E125 WeakPolarHBondContact O-CG 3.32Å; Q121-E125 PolarHBondContact O-N 2.82Å; F123-E125 VanDerWaalsContact C-N 3.29Å; F123-E125 PolarHBondContact O-N 3.46Å
126R89.4Confident86.6Confident210 Ų21070.9 Ų70.979%0.79236%0.358SS*.THydrogen-bonded Turntrans-88.2-11.7176.3-66.8170-174.8-173.4-0.7113.6A122 F123 I124A122-R126 WeakPolarHBondContact O-CG 3.28Å; F123-R126 WeakPolarHBondContact O-CB 3.4Å; F123-R126 PolarHBondContact O-N 2.93Å; F123-R126 VanDerWaalsContact O-N 3.08Å; I124-R126 PolarHBondContact O-N 2.92Å
127L88.4Confident86.8Confident12 Ų1272.9 Ų72.96%0.06336%0.364CS..SBendtrans-68.4142.7176.7-60.7179000109.7L104 T108 F123 I124 Q131 R132 L135L104-L127 HydrophobicContact CD2-CD1 4.09Å; T108-L127 HydrophobicContact CG2-CD2 3.45Å; T108-L127 VanDerWaalsContact CG2-CD2 3.45Å; F123-L127 HydrophobicContact CE1-CD2 3.95Å; F123-L127 HydrophobicContact CZ-CD2 4.35Å; I124-L127 HydrophobicContact CB-CD1 4.49Å; I124-L127 HydrophobicContact CG1-CD1 4.41Å; I124-L127 HydrophobicContact CG2-CD1 4.46Å; I124-L127 WeakPolarHBondContact O-CB 3.45Å; I124-L127 PolarHBondContact O-N 2.79Å; L127-Q131 HydrophobicContact CB-CB 3.97Å; L127-R132 HydrophobicContact CB-CG 3.74Å; L127-R132 PolarHBondContact O-NE 2.78Å; L127-L135 HydrophobicContact CD1-CD2 4.04Å
128D90.9Very high87.1Confident80 Ų8072.2 Ų72.243%0.42836%0.362SS..  trans-67.4172.9173.464.555.1000111.4D130 Q131 R132D128-D130 VanDerWaalsContact C-N 3.31Å; D128-D130 PolarHBondContact O-N 3.48Å; D128-D130 PolarHBondContact OD1-N 2.9Å; D128-Q131 WeakPolarHBondContact OD1-CB 3.41Å; D128-Q131 WeakPolarHBondContact OD1-CG 3.23Å; D128-Q131 PolarHBondContact OD1-N 2.87Å; D128-Q131 WeakPolarHBondContact OD2-CG 3.4Å; D128-Q131 PolarHBondContact OD2-OE1 3.18Å; D128-R132 WeakPolarHBondContact O-CB 3.04Å; D128-R132 WeakPolarHBondContact O-CG 2.98Å; D128-R132 PolarHBondContact O-N 2.87Å; D128-R132 PolarHBondContact O-NE 3.4Å
129S87.1Confident86.9Confident68 Ų6867.4 Ų67.448%0.47633%0.332SS..Hα-helixtrans-64.3-35.4-177-61.90000112.8R132 N133S129-R132 PolarHBondContact O-N 2.74Å; S129-R132 PolarHBondContact OG-NH2 2.82Å; S129-N133 WeakPolarHBondContact O-CB 3.19Å; S129-N133 PolarHBondContact O-N 2.88Å; S129-N133 PolarHBondContact O-ND2 2.99Å
130D89.8Confident86.3Confident130 Ų13064.9 Ų64.970%0.69533%0.329SS*.Hα-helixtrans-71.4-44.7-178.8-65.1-23.5000110.4D128 R132 N133 E134D128-D130 VanDerWaalsContact C-N 3.31Å; D128-D130 PolarHBondContact O-N 3.48Å; D128-D130 PolarHBondContact OD1-N 2.9Å; D130-R132 VanDerWaalsContact C-N 3.33Å; D130-R132 PolarHBondContact O-N 3.39Å; D130-N133 PolarHBondContact O-N 2.8Å; D130-E134 WeakPolarHBondContact O-CB 3.34Å; D130-E134 PolarHBondContact O-N 3.47Å
131Q90Very high85.4Confident50 Ų5069.5 Ų69.523%0.23435%0.353CS..Hα-helixtrans-59.9-40.5173.8-71.3179.5-24.800112.5I107 L127 D128 L135I107-Q131 HydrophobicContact CG2-CB 3.73Å; I107-Q131 HydrophobicContact CG2-CG 3.69Å; L127-Q131 HydrophobicContact CB-CB 3.97Å; D128-Q131 WeakPolarHBondContact OD1-CB 3.41Å; D128-Q131 WeakPolarHBondContact OD1-CG 3.23Å; D128-Q131 PolarHBondContact OD1-N 2.87Å; D128-Q131 WeakPolarHBondContact OD2-CG 3.4Å; D128-Q131 PolarHBondContact OD2-OE1 3.18Å; Q131-L135 VanDerWaalsContact O-CB 3.27Å; Q131-L135 WeakPolarHBondContact O-CB 3.24Å; Q131-L135 PolarHBondContact O-N 3.03Å
132R86.5Confident84.4Confident98 Ų9870 Ų7037%0.3736%0.359SS..Hα-helixtrans-68.3-39.2177.1-74.6-177.2-66.6176.52.3112.4L127 D128 S129 D130 L135 A136L127-R132 HydrophobicContact CB-CG 3.74Å; L127-R132 PolarHBondContact O-NE 2.78Å; D128-R132 WeakPolarHBondContact O-CB 3.04Å; D128-R132 WeakPolarHBondContact O-CG 2.98Å; D128-R132 PolarHBondContact O-N 2.87Å; D128-R132 PolarHBondContact O-NE 3.4Å; S129-R132 PolarHBondContact O-N 2.74Å; S129-R132 PolarHBondContact OG-NH2 2.82Å; D130-R132 VanDerWaalsContact C-N 3.33Å; D130-R132 PolarHBondContact O-N 3.39Å; R132-L135 PolarHBondContact O-N 3.2Å; R132-A136 WeakPolarHBondContact O-CB 3.48Å; R132-A136 PolarHBondContact O-N 2.73Å
133N86Confident83Confident86 Ų8675.7 Ų75.746%0.4639%0.39SS..Hα-helixtrans-65.3-44.1175.7-71.7-22.4000110.9S129 D130 L135 A136 N137S129-N133 WeakPolarHBondContact O-CB 3.19Å; S129-N133 PolarHBondContact O-N 2.88Å; S129-N133 PolarHBondContact O-ND2 2.99Å; D130-N133 PolarHBondContact O-N 2.8Å; N133-L135 PolarHBondContact O-N 2.81Å; N133-A136 PolarHBondContact O-N 2.73Å; N133-N137 VanDerWaalsContact O-CG 3.24Å; N133-N137 PolarHBondContact O-N 2.95Å; N133-N137 PolarHBondContact O-ND2 3.21Å
134E89.1Confident81.7Confident87 Ų8782.3 Ų82.341%0.40742%0.421SS..Hα-helixtrans-62.1-44.3176.3-173.456.6-153.300111.6I107 D130 A136 N137 Q138I107-E134 HydrophobicContact CD1-CB 4.18Å; I107-E134 HydrophobicContact CD1-CG 3.95Å; I107-E134 HydrophobicContact CG1-CG 4.01Å; D130-E134 WeakPolarHBondContact O-CB 3.34Å; D130-E134 PolarHBondContact O-N 3.47Å; E134-A136 VanDerWaalsContact C-N 3.34Å; E134-A136 PolarHBondContact O-N 3.32Å; E134-N137 PolarHBondContact O-N 3.17Å; E134-Q138 PolarHBondContact O-N 2.82Å; E134-Q138 PolarHBondContact OE1-NE2 2.94Å
135L88.5Confident80.4Confident0 Ų084.5 Ų84.50%044%0.435CS..Hα-helixtrans-59.2-44.9175.2179.462.6000111.6L49 L100 I103 L104 I107 I124 L127 Q131 R132 N133 L139L49-L135 HydrophobicContact CD1-CD2 4.01Å; L49-L135 HydrophobicContact CD1-CG 3.88Å; L100-L135 HydrophobicContact CD1-CD1 4.34Å; I103-L135 HydrophobicContact CG2-CD1 3.64Å; L104-L135 HydrophobicContact CD2-CD1 3.75Å; L104-L135 HydrophobicContact CD2-CD2 3.7Å; L104-L135 HydrophobicContact CD2-CG 4.34Å; L104-L135 HydrophobicContact CG-CD1 4.11Å; I107-L135 HydrophobicContact CD1-CB 3.75Å; I107-L135 HydrophobicContact CD1-CD1 4.19Å; I124-L135 HydrophobicContact CD1-CD2 4.35Å; I124-L135 HydrophobicContact CG1-CD2 4.11Å; I124-L135 HydrophobicContact CG2-CD2 4.16Å; L127-L135 HydrophobicContact CD1-CD2 4.04Å; Q131-L135 VanDerWaalsContact O-CB 3.27Å; Q131-L135 WeakPolarHBondContact O-CB 3.24Å; Q131-L135 PolarHBondContact O-N 3.03Å; R132-L135 PolarHBondContact O-N 3.2Å; N133-L135 PolarHBondContact O-N 2.81Å; L135-L139 HydrophobicContact CD1-CD1 3.53Å; L135-L139 HydrophobicContact CD1-CG 4.04Å; L135-L139 HydrophobicContact CD2-CD1 4.43Å; L135-L139 HydrophobicContact CG-CD1 3.68Å; L135-L139 WeakPolarHBondContact O-CB 3.17Å; L135-L139 WeakPolarHBondContact O-CG 3.37Å; L135-L139 PolarHBondContact O-N 2.69Å
136A84.3Confident79.4Confident30 Ų3086.5 Ų86.525%0.24844%0.437CS..Hα-helixtrans-62.8-41.8178.300000112.1L49 R132 N133 E134L49-A136 HydrophobicContact CB-CB 4.11Å; L49-A136 HydrophobicContact CD1-CB 4.27Å; R132-A136 WeakPolarHBondContact O-CB 3.48Å; R132-A136 PolarHBondContact O-N 2.73Å; N133-A136 PolarHBondContact O-N 2.73Å; E134-A136 VanDerWaalsContact C-N 3.34Å; E134-A136 PolarHBondContact O-N 3.32Å
137N85Confident78.5Confident103 Ų10380.9 Ų80.955%0.55143%0.428SS*.Hα-helixtrans-64-47.7178-71.3-22.8000111.8N133 E134 L139 T140N133-N137 VanDerWaalsContact O-CG 3.24Å; N133-N137 PolarHBondContact O-N 2.95Å; N133-N137 PolarHBondContact O-ND2 3.21Å; E134-N137 PolarHBondContact O-N 3.17Å; N137-L139 VanDerWaalsContact C-N 3.35Å; N137-L139 PolarHBondContact O-N 3.06Å; N137-T140 WeakPolarHBondContact O-CB 3.38Å; N137-T140 VanDerWaalsContact O-CG2 3.3Å; N137-T140 WeakPolarHBondContact O-CG2 3.49Å; N137-T140 PolarHBondContact O-N 3.37Å; N137-T140 PolarHBondContact O-OG1 2.98Å
138Q85.7Confident78Confident65 Ų6582 Ų8230%0.30444%0.437SS..Hα-helixtrans-73.3-25.7-179.1-67.2-16837.300113.7R99 I103 E134 T140R99-Q138 PolarHBondContact NH2-O 3.11Å; I103-Q138 HydrophobicContact CD1-CB 3.98Å; I103-Q138 HydrophobicContact CG1-CB 4.25Å; I103-Q138 HydrophobicContact CG2-CB 3.83Å; I103-Q138 HydrophobicContact CG2-CG 4.49Å; E134-Q138 PolarHBondContact O-N 2.82Å; E134-Q138 PolarHBondContact OE1-NE2 2.94Å; Q138-T140 PolarHBondContact O-N 2.97Å
139L81.3Confident77.5Confident5 Ų584.2 Ų84.23%0.02645%0.448CS..THydrogen-bonded Turntrans-79.40.9175.4-81.8169.8000113.9I45 R46 L49 L100 I103 L135 N137I45-L139 HydrophobicContact CG2-CD1 3.99Å; R46-L139 HydrophobicContact CG-CB 4.3Å; R46-L139 PolarHBondContact NE-O 2.85Å; R46-L139 PolarHBondContact NH2-O 3.45Å; R46-L139 VanDerWaalsContact NH2-O 3.15Å; L49-L139 HydrophobicContact CD1-CD1 3.6Å; L100-L139 HydrophobicContact CB-CD2 4.24Å; L100-L139 HydrophobicContact CD1-CD1 3.65Å; L100-L139 HydrophobicContact CD1-CD2 3.73Å; L100-L139 HydrophobicContact CD1-CG 4.21Å; I103-L139 HydrophobicContact CD1-CD2 4.14Å; I103-L139 HydrophobicContact CD1-CG 4.29Å; L135-L139 HydrophobicContact CD1-CD1 3.53Å; L135-L139 HydrophobicContact CD1-CG 4.04Å; L135-L139 HydrophobicContact CD2-CD1 4.43Å; L135-L139 HydrophobicContact CG-CD1 3.68Å; L135-L139 WeakPolarHBondContact O-CB 3.17Å; L135-L139 WeakPolarHBondContact O-CG 3.37Å; L135-L139 PolarHBondContact O-N 2.69Å; N137-L139 VanDerWaalsContact C-N 3.35Å; N137-L139 PolarHBondContact O-N 3.06Å
140T73.7Confident77.3Confident89 Ų8981.9 Ų81.955%0.54643%0.431SS..SBendtrans-53.7144.2172.649.40000111.4R99 N137 Q138 T142R99-T140 PolarHBondContact NH2-O 2.68Å; N137-T140 WeakPolarHBondContact O-CB 3.38Å; N137-T140 VanDerWaalsContact O-CG2 3.3Å; N137-T140 WeakPolarHBondContact O-CG2 3.49Å; N137-T140 PolarHBondContact O-N 3.37Å; N137-T140 PolarHBondContact O-OG1 2.98Å; Q138-T140 PolarHBondContact O-N 2.97Å; T140-T142 PolarHBondContact O-N 3.19Å
141L66Low77.1Confident96 Ų9683 Ų8350%0.50343%0.432SS..PPolyproline II helixtrans-62.7126.5-179.1-72.6168.1000109.1V145L141-V145 HydrophobicContact CD2-CG2 4.4Å
142T63Low77Confident58 Ų5882.3 Ų82.336%0.35643%0.431SS..PPolyproline II helixtrans-69.1154.5169.839.70000110.3R99 T140 E144 V145R99-T142 PolarHBondContact NH1-OG1 3.44Å; T140-T142 PolarHBondContact O-N 3.19Å; T142-E144 VanDerWaalsContact C-N 3.26Å; T142-E144 PolarHBondContact O-N 3.32Å; T142-E144 PolarHBondContact OG1-O 2.98Å; T142-V145 VanDerWaalsContact O-CG2 3.23Å; T142-V145 WeakPolarHBondContact O-CG2 3.13Å
143V57.2Low77.3Confident158 Ų15883.5 Ų83.596%0.95844%0.439SS*.SBendtrans-59.7-40.4178179.50000110.7V145V143-V145 PolarHBondContact O-N 3.01Å
144E60.4Low77.6Confident168 Ų16880.7 Ų80.779%0.78542%0.424SS*.SBendtrans-84.2105.4168-68.1-175.3176.900109.9T142T142-E144 VanDerWaalsContact C-N 3.26Å; T142-E144 PolarHBondContact O-N 3.32Å; T142-E144 PolarHBondContact OG1-O 2.98Å
145V60.3Low77.8Confident61 Ų6179.8 Ų79.837%0.3742%0.421SS..  trans-101.7111.4171.1-178.70000108.2L141 T142 V143L141-V145 HydrophobicContact CD2-CG2 4.4Å; T142-V145 VanDerWaalsContact O-CG2 3.23Å; T142-V145 WeakPolarHBondContact O-CG2 3.13Å; V143-V145 PolarHBondContact O-N 3.01Å
146R65.7Low78Confident163 Ų16380.4 Ų80.462%0.61542%0.424SS*.PPolyproline II helixtrans-70.1134.6170.8-71.6-167.6-176.6-176.5-1.4110.1N93 M95N93-R146 PolarHBondContact ND2-O 2.97Å; M95-R146 HydrophobicContact CE-CB 4.17Å; M95-R146 HydrophobicContact CE-CG 3.99Å
147P69.7Low78.3Confident92 Ų9282.4 Ų82.460%0.59743%0.429SS*.PPolyproline II helixtrans-62.2150.4177.325.1-31.9000110.8F11F11-P147 HydrophobicContact CD2-CB 3.82Å; F11-P147 HydrophobicContact CE2-CB 4.44Å
148C77.4Confident78.7Confident36 Ų3679.2 Ų79.224%0.24341%0.414CS..PPolyproline II helixtrans-71.3152.5173-63.50000110F11F11-C148 HydrophobicContact CE2-CB 3.82Å; F11-C148 VanDerWaalsContact CE2-O 3.29Å; F11-C148 WeakPolarHBondContact CE2-O 3.29Å; F11-C148 HydrophobicContact CZ-CB 3.82Å
149N81Confident79.1Confident126 Ų12676.4 Ų76.467%0.67440%0.401SS*.EExtended strand (participates in β ladder)trans-79136.2160.7-68.9-23.5000108F91 A92F91-N149 WeakPolarHBondContact CA-O 3.33Å; A92-N149 PolarHBondContact N-O 2.98Å; A92-N149 PolarHBondContact O-N 3.3Å
150V82.7Confident79.9Confident19 Ų1976.9 Ų76.912%0.11540%0.403CS..EExtended strand (participates in β ladder)trans-120.3134.2177.4-165.60000110F11 T15 A90 F91F11-V150 HydrophobicContact CE2-CG2 3.74Å; F11-V150 HydrophobicContact CZ-CG2 3.61Å; T15-V150 HydrophobicContact CG2-CB 3.79Å; T15-V150 HydrophobicContact CG2-CG1 3.49Å; T15-V150 VanDerWaalsContact CG2-CG1 3.49Å; T15-V150 HydrophobicContact CG2-CG2 3.83Å; T15-V150 VanDerWaalsContact OG1-CG2 3.26Å; T15-V150 WeakPolarHBondContact OG1-CG2 3.24Å; A90-V150 WeakPolarHBondContact O-CA 3.37Å; F91-V150 HydrophobicContact CD1-CB 4.3Å; F91-V150 HydrophobicContact CD1-CG1 4Å; F91-V150 HydrophobicContact CD1-CG2 3.39Å; F91-V150 HydrophobicContact CE1-CB 4.31Å; F91-V150 HydrophobicContact CE1-CG1 3.81Å; F91-V150 HydrophobicContact CE1-CG2 3.49Å; F91-V150 VanDerWaalsContact CE1-CG2 3.49Å; F91-V150 HydrophobicContact CE2-CG1 4.49Å; F91-V150 HydrophobicContact CG-CG1 4.41Å; F91-V150 HydrophobicContact CG-CG2 4.35Å; F91-V150 HydrophobicContact CZ-CG1 4.06Å
151Q86.2Confident81Confident152 Ų15272.6 Ų72.671%0.7138%0.377SS*.EExtended strand (participates in β ladder)trans-120.4134.8170.1-67.4-178.2-2.400108.4A90A90-Q151 PolarHBondContact N-O 2.91Å; A90-Q151 PolarHBondContact O-N 3.38Å
152T87.7Confident82.5Confident36 Ų3668.2 Ų68.222%0.22136%0.355CS..EExtended strand (participates in β ladder)trans-112.5136.2176.561.70000109.2L19 L88L19-T152 HydrophobicContact CB-CG2 4.06Å; L19-T152 HydrophobicContact CD1-CG2 3.91Å; L19-T152 HydrophobicContact CG-CG2 4.49Å; L88-T152 CarbonylContact O-C 3.53Å; L88-T152 VanDerWaalsContact O-CA 3.3Å; L88-T152 WeakPolarHBondContact O-CA 3.41Å
153K91.7Very high84Confident124 Ų12465.8 Ų65.854%0.53934%0.341SS..EExtended strand (participates in β ladder)trans-130.9123.8174.9-169.2-178.9-178.1-176.60109L88 M155L88-K153 HydrophobicContact CB-CB 4.28Å; L88-K153 PolarHBondContact N-O 3.01Å; L88-K153 PolarHBondContact O-N 3.32Å; K153-M155 HydrophobicContact CD-CG 4.1Å; K153-M155 HydrophobicContact CD-SD 3.72Å; K153-M155 WeakPolarHBondContact CE-SD 3.47Å; K153-M155 HydrophobicContact CG-CG 3.93Å; K153-M155 HydrophobicContact CG-SD 4.21Å
154L93.3Very high85.9Confident27 Ų2761.2 Ų61.214%0.14131%0.307CS..EExtended strand (participates in β ladder)trans-99.6128.9177.1-54.2179.4000108L19 L23 E26 Y28 L85 I87L19-L154 HydrophobicContact CD1-CD2 4.11Å; L23-L154 HydrophobicContact CD2-CD1 3.84Å; L23-L154 HydrophobicContact CD2-CD2 3.83Å; L23-L154 HydrophobicContact CG-CD1 4.09Å; L23-L154 HydrophobicContact CG-CD2 4.27Å; E26-L154 HydrophobicContact CG-CD1 4.1Å; Y28-L154 HydrophobicContact CD2-CD1 4.49Å; Y28-L154 HydrophobicContact CE2-CB 3.86Å; Y28-L154 HydrophobicContact CE2-CD1 3.85Å; Y28-L154 HydrophobicContact CE2-CG 4.47Å; L85-L154 HydrophobicContact CD1-CB 4.41Å; I87-L154 HydrophobicContact CB-CD2 4.3Å; I87-L154 HydrophobicContact CG1-CD2 3.9Å; I87-L154 HydrophobicContact CG2-CD2 4.02Å
155M93.1Very high87.6Confident67 Ų6753.2 Ų53.233%0.3327%0.269SS..EExtended strand (participates in β ladder)trans-143.5132.2-178.6-56.1-178.4-60.700109.5S86 K153S86-M155 WeakPolarHBondContact CA-O 3.19Å; S86-M155 VanDerWaalsContact CB-O 3.29Å; S86-M155 WeakPolarHBondContact CB-O 3.31Å; S86-M155 PolarHBondContact N-O 3.24Å; S86-M155 PolarHBondContact O-N 2.78Å; S86-M155 PolarHBondContact OG-O 3.04Å; K153-M155 HydrophobicContact CD-CG 4.1Å; K153-M155 HydrophobicContact CD-SD 3.72Å; K153-M155 WeakPolarHBondContact CE-SD 3.47Å; K153-M155 HydrophobicContact CG-CG 3.93Å; K153-M155 HydrophobicContact CG-SD 4.21Å
156T93.4Very high89.4Confident13 Ų1351.5 Ų51.58%0.0826%0.258CS..EExtended strand (participates in β ladder)trans-99.5145.5170.347.30000110.5Y28 K84 L85 G233 C234Y28-T156 HydrophobicContact CD1-CG2 3.69Å; Y28-T156 HydrophobicContact CE1-CG2 3.54Å; K84-T156 WeakPolarHBondContact O-CA 3.34Å; L85-T156 HydrophobicContact CB-CG2 4.47Å; L85-T156 HydrophobicContact CD1-CG2 3.94Å; T156-G233 WeakPolarHBondContact OG1-CA 3.48Å; T156-C234 VanDerWaalsContact CG2-O 3.32Å; T156-C234 WeakPolarHBondContact CG2-O 3.12Å; T156-C234 PolarHBondContact OG1-N 2.87Å; T156-C234 PolarHBondContact OG1-O 3.27Å
157E90.2Very high90.9Very high72 Ų7243.7 Ų43.734%0.33623%0.229SC..PPolyproline II helixtrans-58135.1165-70.1-70.8165.800108.2K34 K84 T159 K268K34-E157 IonicContact NZ-OE1 3.91Å; K34-E157 PolarHBondContact NZ-OE1 2.84Å; K84-E157 PolarHBondContact O-N 3.3Å; E157-T159 PolarHBondContact O-N 2.79Å; E157-K268 IonicContact OE1-NZ 3.88Å; E157-K268 WeakPolarHBondContact OE2-CE 3.43Å; E157-K268 IonicContact OE2-NZ 3Å; E157-K268 PolarHBondContact OE2-NZ 3.28Å
158P93.6Very high92.1Very high37 Ų3743.3 Ų43.324%0.2422%0.218CC..PPolyproline II helixtrans-60.1137.2-178.2-25.134.9000111.9L160 Q230 C231P158-L160 HydrophobicContact CB-CD2 4.24Å; P158-Q230 HydrophobicContact CB-CG 3.53Å; P158-Q230 HydrophobicContact CG-CG 4.31Å; P158-Q230 VanDerWaalsContact CG-NE2 3.33Å; P158-C231 CarbonylContact C-O 3.38Å; P158-C231 VanDerWaalsContact CA-O 3.23Å; P158-C231 WeakPolarHBondContact CA-O 3.45Å; P158-C231 WeakPolarHBondContact CB-O 3.38Å
159T94.7Very high93Very high6 Ų642.5 Ų42.54%0.03721%0.212CC..EExtended strand (participates in β ladder)trans-76.3124.7169.2-60.70000108.4E157 L161 L201 C231 C234 I239E157-T159 PolarHBondContact O-N 2.79Å; T159-L161 HydrophobicContact CG2-CD2 3.94Å; T159-L161 HydrophobicContact CG2-CG 4.27Å; T159-L201 HydrophobicContact CG2-CD1 4.22Å; T159-C231 PolarHBondContact N-O 2.68Å; T159-C231 PolarHBondContact O-N 3.17Å; T159-C234 PolarHBondContact OG1-SG 2.96Å; T159-C234 VanDerWaalsContact OG1-SG 3.34Å; T159-I239 HydrophobicContact CG2-CD1 3.41Å; T159-I239 VanDerWaalsContact CG2-CD1 3.41Å
160L96.1Very high93.7Very high14 Ų1438.1 Ų38.17%0.07319%0.186CC..EExtended strand (participates in β ladder)trans-108120.3-177.3-54.9179.1000108.8P158 Q230 E265 V266 K268 F271P158-L160 HydrophobicContact CB-CD2 4.24Å; L160-Q230 HydrophobicContact CD2-CB 3.88Å; L160-Q230 HydrophobicContact CD2-CG 3.7Å; L160-E265 WeakPolarHBondContact O-CA 3.44Å; L160-E265 WeakPolarHBondContact O-CG 3.25Å; L160-V266 HydrophobicContact CB-CG2 3.85Å; L160-V266 PolarHBondContact O-N 3.32Å; L160-K268 HydrophobicContact CD1-CB 4.32Å; L160-K268 HydrophobicContact CD1-CG 3.75Å; L160-F271 HydrophobicContact CB-CB 4.48Å; L160-F271 HydrophobicContact CB-CD2 3.86Å; L160-F271 HydrophobicContact CB-CE2 4.48Å; L160-F271 HydrophobicContact CB-CG 4.41Å; L160-F271 HydrophobicContact CD1-CB 3.81Å; L160-F271 HydrophobicContact CD1-CD2 4.19Å; L160-F271 HydrophobicContact CD1-CG 3.95Å; L160-F271 HydrophobicContact CD2-CD2 3.9Å; L160-F271 HydrophobicContact CD2-CE2 3.9Å; L160-F271 HydrophobicContact CD2-CG 4.28Å; L160-F271 HydrophobicContact CD2-CZ 4.32Å; L160-F271 HydrophobicContact CG-CD2 4.2Å; L160-F271 HydrophobicContact CG-CG 4.44Å
161L97.6Very high94.2Very high0 Ų044.9 Ų44.90%022%0.216CC..EExtended strand (participates in β ladder)trans-117.9153.3174.8-47.8173.7000109.8T159 L197 V228 V229 I244 M247 L263 R264 E265T159-L161 HydrophobicContact CG2-CD2 3.94Å; T159-L161 HydrophobicContact CG2-CG 4.27Å; L161-L197 HydrophobicContact CD1-CD2 3.67Å; L161-V228 CarbonylContact O-C 3.57Å; L161-V228 WeakPolarHBondContact O-CA 3.37Å; L161-V229 HydrophobicContact CB-CG1 3.65Å; L161-V229 HydrophobicContact CD1-CG1 4.36Å; L161-V229 HydrophobicContact CG-CG1 4.36Å; L161-V229 PolarHBondContact N-O 3.06Å; L161-V229 PolarHBondContact O-N 2.88Å; L161-I244 HydrophobicContact CD2-CD1 3.72Å; L161-M247 HydrophobicContact CD1-CE 4.42Å; L161-L263 HydrophobicContact CB-CD1 4.19Å; L161-R264 CarbonylContact C-O 3.53Å; L161-R264 VanDerWaalsContact CA-O 3.22Å; L161-R264 WeakPolarHBondContact CA-O 3.28Å; L161-E265 HydrophobicContact CD2-CB 3.96Å; L161-E265 HydrophobicContact CD2-CG 4.25Å
162A97Very high94.6Very high4 Ų437.8 Ų37.83%0.03318%0.183CC..EExtended strand (participates in β ladder)trans-134.5157171.100000109.9F227 V228 L263 R264 V266 L274A162-F227 WeakPolarHBondContact CA-O 3.48Å; A162-V228 HydrophobicContact CB-CG1 4.07Å; A162-L263 CarbonylContact O-C 3.54Å; A162-L263 WeakPolarHBondContact O-CA 3.21Å; A162-R264 PolarHBondContact N-O 3.47Å; A162-R264 PolarHBondContact O-N 3Å; A162-V266 HydrophobicContact CB-CG1 3.54Å; A162-V266 HydrophobicContact CB-CG2 4.2Å; A162-L274 HydrophobicContact CB-CD1 3.6Å
163G96.3Very high94.8Very high7 Ų740 Ų407%0.07219%0.188CC..EExtended strand (participates in β ladder)trans-172.9-164.917500000110.8P226 F227 D262G163-P226 CarbonylContact O-C 3.57Å; G163-P226 WeakPolarHBondContact O-CA 3.36Å; G163-F227 VanDerWaalsContact C-CE1 3.42Å; G163-F227 PolarHBondContact N-O 3.18Å; G163-F227 VanDerWaalsContact N-O 3.1Å; G163-F227 WeakPolarHBondContact O-CD1 3.44Å; G163-F227 PolarHBondContact O-N 3.49Å; G163-D262 WeakPolarHBondContact CA-O 3.46Å
164R95.4Very high94.9Very high61 Ų6134.8 Ų34.823%0.2317%0.166CC..EExtended strand (participates in β ladder)trans-128.3140.5171.4-46.1-179.867.997.9-5.3109.9N223 G224 R225 I260 V261 E280R164-N223 VanDerWaalsContact CD-O 3.27Å; R164-N223 WeakPolarHBondContact CD-O 3.28Å; R164-N223 PolarHBondContact NE-O 3.32Å; R164-G224 PolarHBondContact NE-O 3.31Å; R164-G224 PolarHBondContact NH2-O 2.97Å; R164-R225 CarbonylContact C-O 3.39Å; R164-R225 WeakPolarHBondContact CA-O 3.34Å; R164-I260 WeakPolarHBondContact O-CA 3.33Å; R164-V261 HydrophobicContact CB-CG2 3.78Å; R164-V261 PolarHBondContact N-O 3.39Å; R164-V261 PolarHBondContact O-N 2.9Å; R164-E280 IonicContact NH2-OE1 3.76Å
165Y96.7Very high94.8Very high0 Ų035.8 Ų35.80%017%0.173CC..EExtended strand (participates in β ladder)trans-106.7136.4172.772.2-101.5000110.4K167 Q174 I189 F208 A210 E214 M220 G224 R225 F227 N259Y165-K167 HydrophobicContact CD2-CB 4.1Å; Y165-K167 HydrophobicContact CE2-CB 4.09Å; Y165-Q174 PolarHBondContact OH-NE2 2.96Å; Y165-I189 HydrophobicContact CD1-CD1 4.27Å; Y165-I189 HydrophobicContact CD1-CG2 4.25Å; Y165-I189 HydrophobicContact CD2-CD1 3.57Å; Y165-I189 HydrophobicContact CE1-CD1 4.11Å; Y165-I189 HydrophobicContact CE2-CD1 3.4Å; Y165-I189 HydrophobicContact CG-CD1 4.02Å; Y165-I189 HydrophobicContact CG-CG2 4.26Å; Y165-F208 HydrophobicContact CD1-CZ 4.11Å; Y165-F208 AromaticContact CE1-CZ 3.97Å; Y165-F208 HydrophobicContact CE1-CZ 3.97Å; Y165-A210 HydrophobicContact CE1-CB 4.18Å; Y165-E214 PolarHBondContact OH-OE1 3.32Å; Y165-E214 PolarHBondContact OH-OE2 2.94Å; Y165-E214 VanDerWaalsContact OH-OE2 3.04Å; Y165-M220 HydrophobicContact CD2-CG 4.48Å; Y165-M220 HydrophobicContact CE2-CB 4Å; Y165-M220 HydrophobicContact CE2-CG 4.03Å; Y165-G224 CarbonylContact O-C 3.58Å; Y165-G224 WeakPolarHBondContact O-CA 3.35Å; Y165-R225 HydrophobicContact CD1-CB 4.36Å; Y165-R225 HydrophobicContact CE1-CB 3.81Å; Y165-R225 HydrophobicContact CE1-CG 4.21Å; Y165-R225 HydrophobicContact CE2-CB 4.08Å; Y165-R225 PolarHBondContact N-O 2.78Å; Y165-R225 PolarHBondContact O-N 2.86Å; Y165-R225 WeakPolarHBondContact OH-CD 3.17Å; Y165-R225 PolarHBondContact OH-NE 3.29Å; Y165-F227 HydrophobicContact CD1-CB 4.35Å; Y165-F227 AromaticContact CD1-CD1 3.86Å; Y165-F227 HydrophobicContact CD1-CD1 3.86Å; Y165-F227 HydrophobicContact CD1-CG 4.42Å; Y165-N259 CarbonylContact C-O 3.55Å; Y165-N259 WeakPolarHBondContact CA-O 3.17Å
166I97.3Very high94.5Very high25 Ų2534.1 Ų34.113%0.12817%0.167CC..EExtended strand (participates in β ladder)trans-98.6129.7165-58172.6000105.8F168 M220 L221 I258 N259 V261I166-F168 HydrophobicContact CB-CE1 4.48Å; I166-F168 HydrophobicContact CB-CZ 4.17Å; I166-F168 HydrophobicContact CG2-CD1 4.01Å; I166-F168 HydrophobicContact CG2-CE1 3.35Å; I166-F168 HydrophobicContact CG2-CE2 4.24Å; I166-F168 HydrophobicContact CG2-CZ 3.49Å; I166-F168 VanDerWaalsContact CG2-CZ 3.49Å; I166-M220 CarbonylContact C-O 3.53Å; I166-M220 VanDerWaalsContact CA-O 3.3Å; I166-M220 WeakPolarHBondContact CA-O 3.21Å; I166-M220 WeakPolarHBondContact CG2-O 3.36Å; I166-L221 HydrophobicContact CG2-CD2 4.28Å; I166-I258 CarbonylContact O-C 3.59Å; I166-I258 WeakPolarHBondContact O-CA 3.48Å; I166-I258 VanDerWaalsContact O-CB 3.29Å; I166-I258 WeakPolarHBondContact O-CB 3.45Å; I166-N259 HydrophobicContact CB-CB 4.28Å; I166-N259 PolarHBondContact N-O 2.85Å; I166-N259 PolarHBondContact O-N 3.38Å; I166-V261 HydrophobicContact CD1-CG1 4.11Å
167K97Very high93.6Very high0 Ų039.7 Ų39.70%019%0.187CC..EExtended strand (participates in β ladder)trans-115.8111.4-178.1179.1-165.8175.5-157.30108.9Y165 S169 L172 D215 V216 V218 R219 M220 I258Y165-K167 HydrophobicContact CD2-CB 4.1Å; Y165-K167 HydrophobicContact CE2-CB 4.09Å; K167-S169 WeakPolarHBondContact CE-O 3.42Å; K167-L172 WeakPolarHBondContact CE-O 3.41Å; K167-L172 HydrophobicContact CG-CD2 4.15Å; K167-L172 PolarHBondContact NZ-O 3.26Å; K167-D215 PolarHBondContact NZ-O 2.82Å; K167-V216 PolarHBondContact NZ-O 2.77Å; K167-V218 WeakPolarHBondContact CE-O 3.46Å; K167-V218 PolarHBondContact NZ-O 2.87Å; K167-R219 WeakPolarHBondContact O-CA 3.45Å; K167-R219 WeakPolarHBondContact O-CB 3.22Å; K167-M220 HydrophobicContact CB-CB 3.74Å; K167-M220 PolarHBondContact N-O 2.84Å; K167-M220 PolarHBondContact O-N 2.93Å; K167-I258 HydrophobicContact CB-CG2 4.48Å
168F96.6Very high92.8Very high83 Ų8342.1 Ų42.136%0.36420%0.201SC..  trans-89.7-29.7179.4-53-65.8000112.4I166 R219 L221 D257 N259I166-F168 HydrophobicContact CB-CE1 4.48Å; I166-F168 HydrophobicContact CB-CZ 4.17Å; I166-F168 HydrophobicContact CG2-CD1 4.01Å; I166-F168 HydrophobicContact CG2-CE1 3.35Å; I166-F168 HydrophobicContact CG2-CE2 4.24Å; I166-F168 HydrophobicContact CG2-CZ 3.49Å; I166-F168 VanDerWaalsContact CG2-CZ 3.49Å; F168-R219 WeakPolarHBondContact O-CD 3.43Å; F168-R219 WeakPolarHBondContact O-CG 3.16Å; F168-L221 HydrophobicContact CD1-CD2 3.99Å; F168-L221 HydrophobicContact CE1-CD2 4.4Å; F168-D257 PolarHBondContact N-O 3.18Å; F168-N259 HydrophobicContact CE2-CB 3.91Å; F168-N259 HydrophobicContact CZ-CB 4.13Å
169S95.7Very high91.6Very high19 Ų1942.8 Ų42.813%0.13321%0.205CC..  trans-76142.1-177.71800000113.1K167 H171 D257K167-S169 WeakPolarHBondContact CE-O 3.42Å; S169-H171 VanDerWaalsContact C-N 3.35Å; S169-H171 PolarHBondContact OG-N 3.15Å; S169-H171 VanDerWaalsContact OG-N 3.11Å; S169-D257 WeakPolarHBondContact CB-OD1 3.23Å; S169-D257 PolarHBondContact N-O 2.84Å
170R95.3Very high90.1Very high35 Ų3546.9 Ų46.913%0.13225%0.248CC..SBendtrans-91.89.4169.3-63.5-165.8179.5-63.9-8.5113.2V216 D217 R219 E385 L386 D387R170-V216 CarbonylContact C-O 3.52Å; R170-V216 VanDerWaalsContact C-O 3.24Å; R170-V216 CarbonylContact O-C 3.55Å; R170-V216 VanDerWaalsContact O-O 3.1Å; R170-D217 WeakPolarHBondContact CG-O 3.46Å; R170-D217 PolarHBondContact NH1-O 3.02Å; R170-D217 WeakPolarHBondContact O-CA 3.35Å; R170-R219 HydrophobicContact CG-CG 4Å; R170-E385 VanDerWaalsContact CZ-CD 3.42Å; R170-E385 IonicContact CZ-OE1 2.97Å; R170-E385 IonicContact CZ-OE2 3.81Å; R170-E385 IonicContact NE-OE1 3.24Å; R170-E385 PolarHBondContact NE-OE1 3.01Å; R170-E385 IonicContact NE-OE2 3.64Å; R170-E385 PolarHBondContact NE-OE2 2.77Å; R170-E385 VanDerWaalsContact NH2-CD 3.25Å; R170-E385 IonicContact NH2-OE1 3.65Å; R170-E385 IonicContact NH2-OE2 3.18Å; R170-E385 PolarHBondContact NH2-OE2 3.46Å; R170-L386 PolarHBondContact NH1-O 2.92Å; R170-D387 IonicContact CZ-OD1 2.74Å; R170-D387 IonicContact NH1-OD1 2.69Å; R170-D387 PolarHBondContact NH1-OD1 2.91Å; R170-D387 VanDerWaalsContact NH1-OD1 3.14Å; R170-D387 IonicContact NH2-OD1 3.35Å; R170-D387 PolarHBondContact NH2-OD1 2.84Å; R170-D387 IonicContact NH2-OD2 2.67Å
171H93.4Very high88.8Confident160 Ų16051.9 Ų51.974%0.74128%0.275SS*.SBendtrans-131.325.2-176.7-54.8-57.3000111.9S169S169-H171 VanDerWaalsContact C-N 3.35Å; S169-H171 PolarHBondContact OG-N 3.15Å; S169-H171 VanDerWaalsContact OG-N 3.11Å
172L93.9Very high87.5Confident4 Ų454.6 Ų54.62%0.02130%0.303CS..  trans-115.7128.6-171.5-16880.1000112.1K167 G187 I189 Y192 D257 I258K167-L172 WeakPolarHBondContact CE-O 3.41Å; K167-L172 HydrophobicContact CG-CD2 4.15Å; K167-L172 PolarHBondContact NZ-O 3.26Å; L172-G187 WeakPolarHBondContact CD1-O 3.39Å; L172-I189 HydrophobicContact CD2-CD1 4.24Å; L172-I189 HydrophobicContact CD2-CG1 3.5Å; L172-I189 VanDerWaalsContact CD2-CG1 3.5Å; L172-I189 HydrophobicContact CG-CG1 4.16Å; L172-Y192 HydrophobicContact CD1-CE2 3.71Å; L172-Y192 HydrophobicContact CD2-CE2 4.44Å; L172-D257 HydrophobicContact CD1-CB 4.43Å; L172-D257 HydrophobicContact CD2-CB 4.13Å; L172-I258 HydrophobicContact CD2-CG2 3.31Å
173Y93.1Very high85.6Confident83 Ų8357.9 Ų57.933%0.32532%0.322SS..  trans-88.9155.8173.8-62.6-89.2000111.1W177 C188 I189 V216Y173-W177 HydrophobicContact CE1-CD2 4.36Å; Y173-W177 HydrophobicContact CE1-CE3 4Å; Y173-W177 HydrophobicContact CE2-CE3 4.29Å; Y173-W177 AromaticContact CZ-CE3 3.64Å; Y173-W177 VanDerWaalsContact OH-CZ3 3.29Å; Y173-W177 WeakPolarHBondContact OH-CZ3 3.45Å; Y173-C188 WeakPolarHBondContact O-CA 3.21Å; Y173-C188 WeakPolarHBondContact O-CB 3.34Å; Y173-I189 WeakPolarHBondContact O-CG1 3.25Å; Y173-I189 PolarHBondContact O-N 3.28Å; Y173-V216 HydrophobicContact CD1-CB 4.16Å; Y173-V216 HydrophobicContact CD1-CG2 3.95Å; Y173-V216 HydrophobicContact CD2-CG2 3.95Å; Y173-V216 HydrophobicContact CE1-CB 3.85Å; Y173-V216 HydrophobicContact CE1-CG1 4.45Å; Y173-V216 HydrophobicContact CE1-CG2 3.74Å; Y173-V216 HydrophobicContact CE2-CG2 3.73Å; Y173-V216 HydrophobicContact CG-CG2 4.06Å
174Q93Very high84.4Confident14 Ų1460.8 Ų60.87%0.06534%0.339CS..SBendtrans-72-43.2173.8-66.7-178.9-30.100112.3Y165 I189 Q190 F208 G212 E214Y165-Q174 PolarHBondContact OH-NE2 2.96Å; Q174-I189 HydrophobicContact CG-CD1 4.36Å; Q174-Q190 PolarHBondContact O-N 3.14Å; Q174-Q190 VanDerWaalsContact O-N 3.08Å; Q174-F208 HydrophobicContact CB-CE1 4.28Å; Q174-G212 PolarHBondContact NE2-O 2.84Å; Q174-E214 WeakPolarHBondContact CG-OE1 3.35Å; Q174-E214 PolarHBondContact NE2-OE1 2.66Å; Q174-E214 PolarHBondContact NE2-OE2 3.33Å
175T91.4Very high82.8Confident48 Ų4862.7 Ų62.729%0.29435%0.349SS..SBendtrans-130.9158.8-176.357.30000109.6W177 F208T175-W177 PolarHBondContact O-N 3.21Å; T175-F208 HydrophobicContact CG2-CD1 3.91Å
176P86.4Confident81.8Confident32 Ų3268.5 Ų68.521%0.20838%0.384CS..  trans-56.3134.1-179.4-24.234.1000110.8V184 C188P176-V184 HydrophobicContact CB-CG1 3.66Å; P176-C188 WeakPolarHBondContact CD-SG 3.2Å
177W74.1Confident81.1Confident129 Ų12968.9 Ų68.949%0.48939%0.394SS..EExtended strand (participates in β ladder)trans-91.7111.2177.1-169.520.7000109.2Y173 T175 F185Y173-W177 HydrophobicContact CE1-CD2 4.36Å; Y173-W177 HydrophobicContact CE1-CE3 4Å; Y173-W177 HydrophobicContact CE2-CE3 4.29Å; Y173-W177 AromaticContact CZ-CE3 3.64Å; Y173-W177 VanDerWaalsContact OH-CZ3 3.29Å; Y173-W177 WeakPolarHBondContact OH-CZ3 3.45Å; T175-W177 PolarHBondContact O-N 3.21Å; W177-F185 HydrophobicContact CB-CB 4.17Å; W177-F185 HydrophobicContact CB-CD2 4.21Å; W177-F185 HydrophobicContact CD2-CD2 4.34Å; W177-F185 AromaticContact CE3-CD2 3.82Å; W177-F185 HydrophobicContact CE3-CD2 3.82Å; W177-F185 AromaticContact CE3-CE2 3.92Å; W177-F185 HydrophobicContact CE3-CE2 3.92Å; W177-F185 HydrophobicContact CZ3-CE2 4.25Å; W177-F185 PolarHBondContact O-N 3.4Å
178L73.5Confident80.9Confident123 Ų12369 Ų6964%0.64440%0.395SS*.EExtended strand (participates in β ladder)trans-82.3113173.5-69.4160.6000108.9V184L178-V184 HydrophobicContact CD2-CG2 3.69Å
179V68.8Low80.9Confident52 Ų5265 Ų6532%0.31538%0.378SS..  trans-83.2145.8168.7-171.50000108.1N181 G182 V183 F185V179-N181 WeakPolarHBondContact CB-OD1 3.45Å; V179-N181 WeakPolarHBondContact CG1-OD1 2.99Å; V179-N181 PolarHBondContact O-N 3.22Å; V179-N181 PolarHBondContact O-OD1 2.87Å; V179-G182 PolarHBondContact O-N 3.44Å; V179-V183 HydrophobicContact CB-CB 4.34Å; V179-V183 PolarHBondContact N-O 2.9Å; V179-F185 HydrophobicContact CG2-CD2 3.74Å; V179-F185 HydrophobicContact CG2-CE2 3.44Å; V179-F185 VanDerWaalsContact CG2-CE2 3.44Å
180G63.7Low81Confident92 Ų9266 Ų6695%0.94838%0.38SS*.THydrogen-bonded Turntrans-56.9-12-171.700000116.4G182G180-G182 VanDerWaalsContact C-N 3.34Å
181N69.7Low80.9Confident119 Ų11966.1 Ų66.164%0.63638%0.383SS*.THydrogen-bonded Turntrans-89.48.2172.460.8-3.7000113.8V179 V183V179-N181 WeakPolarHBondContact CB-OD1 3.45Å; V179-N181 WeakPolarHBondContact CG1-OD1 2.99Å; V179-N181 PolarHBondContact O-N 3.22Å; V179-N181 PolarHBondContact O-OD1 2.87Å; N181-V183 VanDerWaalsContact C-N 3.3Å; N181-V183 PolarHBondContact O-N 2.96Å; N181-V183 WeakPolarHBondContact OD1-CB 3.34Å; N181-V183 VanDerWaalsContact OD1-CG2 3.3Å; N181-V183 WeakPolarHBondContact OD1-CG2 3.47Å; N181-V183 PolarHBondContact OD1-N 3.2Å
182G68.9Low81.1Confident56 Ų5660.6 Ų60.658%0.57736%0.356SS*.SBendtrans82.7-0.1-177.700000114.5V179 G180 V184V179-G182 PolarHBondContact O-N 3.44Å; G180-G182 VanDerWaalsContact C-N 3.34Å; G182-V184 PolarHBondContact O-N 3.37Å
183V56.7Low81.2Confident73 Ų7360.4 Ų60.444%0.44236%0.355SS..  trans-67.7120.7174.5176.50000108.9V179 N181V179-V183 HydrophobicContact CB-CB 4.34Å; V179-V183 PolarHBondContact N-O 2.9Å; N181-V183 VanDerWaalsContact C-N 3.3Å; N181-V183 PolarHBondContact O-N 2.96Å; N181-V183 WeakPolarHBondContact OD1-CB 3.34Å; N181-V183 VanDerWaalsContact OD1-CG2 3.3Å; N181-V183 WeakPolarHBondContact OD1-CG2 3.47Å; N181-V183 PolarHBondContact OD1-N 3.2Å
184V71.2Confident81.4Confident69 Ų6957.1 Ų57.142%0.41835%0.345SS..EExtended strand (participates in β ladder)trans-95.3116.2174.8-174.20000107.6P176 L178 G182 V186P176-V184 HydrophobicContact CB-CG1 3.66Å; L178-V184 HydrophobicContact CD2-CG2 3.69Å; G182-V184 PolarHBondContact O-N 3.37Å; V184-V186 PolarHBondContact O-N 2.86Å; V184-V186 VanDerWaalsContact O-N 3.14Å
185F62Low81.5Confident100 Ų10063.2 Ų63.244%0.43937%0.371SS..EExtended strand (participates in β ladder)trans-69.3110.5165.3-80.8-82.8000109.2W177 V179W177-F185 HydrophobicContact CB-CB 4.17Å; W177-F185 HydrophobicContact CB-CD2 4.21Å; W177-F185 HydrophobicContact CD2-CD2 4.34Å; W177-F185 AromaticContact CE3-CD2 3.82Å; W177-F185 HydrophobicContact CE3-CD2 3.82Å; W177-F185 AromaticContact CE3-CE2 3.92Å; W177-F185 HydrophobicContact CE3-CE2 3.92Å; W177-F185 HydrophobicContact CZ3-CE2 4.25Å; W177-F185 PolarHBondContact O-N 3.4Å; V179-F185 HydrophobicContact CG2-CD2 3.74Å; V179-F185 HydrophobicContact CG2-CE2 3.44Å; V179-F185 VanDerWaalsContact CG2-CE2 3.44Å
186V75.4Confident81.8Confident122 Ų12261.8 Ų61.874%0.73936%0.362SS*.  trans-84.4151.3172.5-123.50000109.9V184 D191V184-V186 PolarHBondContact O-N 2.86Å; V184-V186 VanDerWaalsContact O-N 3.14Å; V186-D191 WeakPolarHBondContact CA-OD2 3.29Å
187G83.9Confident82.3Confident34 Ų3460.2 Ų60.235%0.35135%0.353SS..  trans97.946-179.500000112.1L172 D191L172-G187 WeakPolarHBondContact CD1-O 3.39Å; G187-D191 PolarHBondContact N-OD2 3.45Å
188C93.3Very high83.4Confident2 Ų258.5 Ų58.51%0.01435%0.349CS..SBendtrans-106.9173.3170.271.70000111.3Y173 P176 Q190 D191 Y192Y173-C188 WeakPolarHBondContact O-CA 3.21Å; Y173-C188 WeakPolarHBondContact O-CB 3.34Å; P176-C188 WeakPolarHBondContact CD-SG 3.2Å; C188-Q190 VanDerWaalsContact C-N 3.3Å; C188-Q190 PolarHBondContact O-N 3.17Å; C188-D191 PolarHBondContact N-OD2 3.35Å; C188-D191 VanDerWaalsContact N-OD2 3.14Å; C188-D191 PolarHBondContact O-N 3.14Å; C188-D191 PolarHBondContact SG-N 3.31Å; C188-D191 VanDerWaalsContact SG-N 3.45Å; C188-D191 PolarHBondContact SG-OD2 2.93Å; C188-Y192 WeakPolarHBondContact O-CD2 3.16Å; C188-Y192 PolarHBondContact O-N 3.01Å
189I96.3Very high84.5Confident0 Ų060 Ų600%035%0.352CS..Hα-helixtrans-55.1-46.1177.9-59.5178.6000111.2Y165 L172 Y173 Q174 D191 Y192 L193 F208 I258Y165-I189 HydrophobicContact CD1-CD1 4.27Å; Y165-I189 HydrophobicContact CD1-CG2 4.25Å; Y165-I189 HydrophobicContact CD2-CD1 3.57Å; Y165-I189 HydrophobicContact CE1-CD1 4.11Å; Y165-I189 HydrophobicContact CE2-CD1 3.4Å; Y165-I189 HydrophobicContact CG-CD1 4.02Å; Y165-I189 HydrophobicContact CG-CG2 4.26Å; L172-I189 HydrophobicContact CD2-CD1 4.24Å; L172-I189 HydrophobicContact CD2-CG1 3.5Å; L172-I189 VanDerWaalsContact CD2-CG1 3.5Å; L172-I189 HydrophobicContact CG-CG1 4.16Å; Y173-I189 WeakPolarHBondContact O-CG1 3.25Å; Y173-I189 PolarHBondContact O-N 3.28Å; Q174-I189 HydrophobicContact CG-CD1 4.36Å; I189-D191 VanDerWaalsContact C-N 3.28Å; I189-D191 PolarHBondContact O-N 2.84Å; I189-Y192 PolarHBondContact O-N 2.88Å; I189-L193 HydrophobicContact CG2-CD1 3.94Å; I189-L193 PolarHBondContact O-N 3.14Å; I189-F208 HydrophobicContact CG2-CE2 4.13Å; I189-F208 HydrophobicContact CG2-CZ 3.97Å; I189-I258 HydrophobicContact CG1-CG2 4.14Å; I189-I258 HydrophobicContact CG2-CD1 4.19Å
190Q96.3Very high85.7Confident39 Ų3960.9 Ų60.918%0.18235%0.35CS..Hα-helixtrans-58.4-38.3176.5179.2-178-6000112.4Q174 C188 L193 A194 F208Q174-Q190 PolarHBondContact O-N 3.14Å; Q174-Q190 VanDerWaalsContact O-N 3.08Å; C188-Q190 VanDerWaalsContact C-N 3.3Å; C188-Q190 PolarHBondContact O-N 3.17Å; Q190-L193 PolarHBondContact O-N 3.04Å; Q190-A194 WeakPolarHBondContact O-CB 3.04Å; Q190-A194 PolarHBondContact O-N 3.34Å; Q190-F208 HydrophobicContact CB-CB 3.91Å; Q190-F208 HydrophobicContact CB-CD1 4.37Å; Q190-F208 HydrophobicContact CB-CG 4.17Å; Q190-F208 HydrophobicContact CG-CB 3.69Å; Q190-F208 HydrophobicContact CG-CG 4.47Å
191D94.8Very high87.3Confident37 Ų3756.5 Ų56.520%0.19831%0.305CS..Hα-helixtrans-68.3-40.3-178.1-64.2-29.5000111.5V186 G187 C188 I189 A194 K195V186-D191 WeakPolarHBondContact CA-OD2 3.29Å; G187-D191 PolarHBondContact N-OD2 3.45Å; C188-D191 PolarHBondContact N-OD2 3.35Å; C188-D191 VanDerWaalsContact N-OD2 3.14Å; C188-D191 PolarHBondContact O-N 3.14Å; C188-D191 PolarHBondContact SG-N 3.31Å; C188-D191 VanDerWaalsContact SG-N 3.45Å; C188-D191 PolarHBondContact SG-OD2 2.93Å; I189-D191 VanDerWaalsContact C-N 3.28Å; I189-D191 PolarHBondContact O-N 2.84Å; D191-A194 PolarHBondContact O-N 3.22Å; D191-K195 WeakPolarHBondContact O-CB 3.18Å; D191-K195 PolarHBondContact O-N 3.45Å
192Y96Very high88.5Confident45 Ų4554.9 Ų54.918%0.17629%0.29CS..Hα-helixtrans-61-44.9175.3-68.5-52.1000111.7L172 C188 I189 T255 D257 I258L172-Y192 HydrophobicContact CD1-CE2 3.71Å; L172-Y192 HydrophobicContact CD2-CE2 4.44Å; C188-Y192 WeakPolarHBondContact O-CD2 3.16Å; C188-Y192 PolarHBondContact O-N 3.01Å; I189-Y192 PolarHBondContact O-N 2.88Å; Y192-T255 HydrophobicContact CD1-CG2 3.92Å; Y192-T255 HydrophobicContact CD2-CG2 3.97Å; Y192-T255 HydrophobicContact CE1-CG2 3.96Å; Y192-T255 HydrophobicContact CE2-CG2 3.96Å; Y192-T255 HydrophobicContact CG-CG2 3.94Å; Y192-T255 PolarHBondContact OH-OG1 3.34Å; Y192-D257 HydrophobicContact CE2-CB 4.2Å; Y192-D257 PolarHBondContact OH-OD2 3.3Å; Y192-I258 HydrophobicContact CD2-CD1 3.94Å; Y192-I258 HydrophobicContact CD2-CG1 4.27Å; Y192-I258 HydrophobicContact CG-CD1 4.34Å
193L96.9Very high89.8Confident0 Ų052.6 Ų52.60%027%0.265CS..Hα-helixtrans-61.8-50.8172.2-79148.3000111.1I189 Q190 K195 V196 L197 F208 F227 I251 I260I189-L193 HydrophobicContact CG2-CD1 3.94Å; I189-L193 PolarHBondContact O-N 3.14Å; Q190-L193 PolarHBondContact O-N 3.04Å; L193-K195 VanDerWaalsContact C-N 3.29Å; L193-K195 PolarHBondContact O-N 3.48Å; L193-V196 PolarHBondContact O-N 3.36Å; L193-L197 HydrophobicContact CB-CD1 4.16Å; L193-L197 HydrophobicContact CD2-CD1 4.18Å; L193-L197 WeakPolarHBondContact O-CB 3.17Å; L193-L197 WeakPolarHBondContact O-CG 3.35Å; L193-L197 PolarHBondContact O-N 3.49Å; L193-F208 HydrophobicContact CD1-CD2 3.65Å; L193-F208 HydrophobicContact CD1-CE2 3.61Å; L193-F227 HydrophobicContact CD1-CE2 4.13Å; L193-F227 HydrophobicContact CD1-CZ 4.36Å; L193-F227 HydrophobicContact CD2-CE2 3.93Å; L193-F227 HydrophobicContact CD2-CZ 3.94Å; L193-I251 HydrophobicContact CD2-CD1 3.79Å; L193-I251 HydrophobicContact CG-CD1 4.49Å; L193-I260 HydrophobicContact CD2-CD1 4.43Å
194A96.5Very high91.7Very high13 Ų1353.8 Ų53.811%0.10727%0.269CS..Hα-helixtrans-62.1-36.9-17400000112.3Q190 D191 K198 V206Q190-A194 WeakPolarHBondContact O-CB 3.04Å; Q190-A194 PolarHBondContact O-N 3.34Å; D191-A194 PolarHBondContact O-N 3.22Å; A194-K198 WeakPolarHBondContact O-CB 3.13Å; A194-K198 WeakPolarHBondContact O-CG 3.4Å; A194-K198 PolarHBondContact O-N 3.25Å; A194-V206 HydrophobicContact CB-CB 3.96Å; A194-V206 HydrophobicContact CB-CG1 4.15Å; A194-V206 HydrophobicContact CB-CG2 4.12Å
195K95.4Very high92.8Very high142 Ų14251.4 Ų51.462%0.61726%0.258SS*.Hα-helixtrans-55.6-54.1176.2-178.1179.8176.6-1760111.3D191 L193 E199D191-K195 WeakPolarHBondContact O-CB 3.18Å; D191-K195 PolarHBondContact O-N 3.45Å; L193-K195 VanDerWaalsContact C-N 3.29Å; L193-K195 PolarHBondContact O-N 3.48Å; K195-E199 PolarHBondContact O-N 3.31Å
196V97.2Very high94.4Very high18 Ų1847.3 Ų47.311%0.10924%0.241CC..Hα-helixtrans-72.4-44.3-177.5178.10000111.6L193 E199 R200 M247 A250 I251L193-V196 PolarHBondContact O-N 3.36Å; V196-E199 PolarHBondContact O-N 2.89Å; V196-R200 WeakPolarHBondContact O-CB 3.22Å; V196-R200 PolarHBondContact O-N 3.28Å; V196-M247 HydrophobicContact CG1-CB 4.37Å; V196-M247 HydrophobicContact CG1-CG 4.39Å; V196-A250 HydrophobicContact CG1-CB 3.84Å; V196-A250 HydrophobicContact CG2-CB 4.31Å; V196-I251 HydrophobicContact CB-CD1 4.47Å; V196-I251 HydrophobicContact CB-CG1 3.7Å; V196-I251 HydrophobicContact CG1-CG1 3.99Å; V196-I251 HydrophobicContact CG2-CB 4.47Å; V196-I251 HydrophobicContact CG2-CG1 3.66Å
197L97.7Very high95.4Very high0 Ų045 Ų450%023%0.227CC..Hα-helixtrans-67.2-39.9-175.9-65.7175.5000112.1L161 L193 E199 L201 V206 V229 M247L161-L197 HydrophobicContact CD1-CD2 3.67Å; L193-L197 HydrophobicContact CB-CD1 4.16Å; L193-L197 HydrophobicContact CD2-CD1 4.18Å; L193-L197 WeakPolarHBondContact O-CB 3.17Å; L193-L197 WeakPolarHBondContact O-CG 3.35Å; L193-L197 PolarHBondContact O-N 3.49Å; L197-E199 VanDerWaalsContact C-N 3.32Å; L197-E199 PolarHBondContact O-N 2.93Å; L197-L201 HydrophobicContact CD2-CD1 4.43Å; L197-L201 VanDerWaalsContact O-CB 3.22Å; L197-L201 WeakPolarHBondContact O-CB 3.16Å; L197-L201 WeakPolarHBondContact O-CG 3.33Å; L197-L201 PolarHBondContact O-N 3.18Å; L197-V206 HydrophobicContact CB-CG2 4.39Å; L197-V206 HydrophobicContact CD1-CG1 4.4Å; L197-V229 HydrophobicContact CD1-CG1 4.03Å; L197-V229 HydrophobicContact CD1-CG2 3.97Å; L197-M247 HydrophobicContact CD2-SD 3.55Å; L197-M247 VanDerWaalsContact CD2-SD 3.55Å
198K97.1Very high96Very high93 Ų9344 Ų4440%0.40421%0.213SC..Hα-helixtrans-64.2-39.3177-74.7-175.7172.7-1600112.1A194 R202 C203 D204 V206A194-K198 WeakPolarHBondContact O-CB 3.13Å; A194-K198 WeakPolarHBondContact O-CG 3.4Å; A194-K198 PolarHBondContact O-N 3.25Å; K198-R202 WeakPolarHBondContact O-CA 3.18Å; K198-R202 PolarHBondContact O-N 3.21Å; K198-C203 PolarHBondContact O-N 2.94Å; K198-D204 WeakPolarHBondContact CE-O 3.47Å; K198-D204 PolarHBondContact NZ-O 3.27Å; K198-D204 VanDerWaalsContact NZ-O 3.17Å; K198-V206 HydrophobicContact CG-CG2 3.89Å
199E95.8Very high96Very high155 Ų15545.7 Ų45.772%0.72423%0.225SC*.Hα-helixtrans-67.8-52.9176.6-174174.4-179.800111.1K195 V196 L197K195-E199 PolarHBondContact O-N 3.31Å; V196-E199 PolarHBondContact O-N 2.89Å; L197-E199 VanDerWaalsContact C-N 3.32Å; L197-E199 PolarHBondContact O-N 2.93Å
200R95.6Very high95.8Very high69 Ų6946.2 Ų46.226%0.2623%0.23SC..Hα-helixtrans-68.9-39.3-175.6-179.660.4-17284.7-5.6113.3V196 D243 M247V196-R200 WeakPolarHBondContact O-CB 3.22Å; V196-R200 PolarHBondContact O-N 3.28Å; R200-D243 IonicContact CZ-OD1 3.3Å; R200-D243 IonicContact NE-OD1 2.87Å; R200-D243 IonicContact NH2-OD1 3.66Å; R200-D243 PolarHBondContact NH2-OD1 2.77Å; R200-D243 IonicContact NH2-OD2 3.6Å; R200-D243 PolarHBondContact NH2-OD2 3.43Å; R200-M247 HydrophobicContact CB-CG 3.97Å; R200-M247 HydrophobicContact CB-SD 3.93Å; R200-M247 HydrophobicContact CG-CG 3.63Å; R200-M247 HydrophobicContact CG-SD 3.6Å; R200-M247 VanDerWaalsContact CG-SD 3.6Å
201L96.2Very high95.3Very high0 Ų044.9 Ų44.90%023%0.226CC..Hα-helixtrans-96.1-8.8-175.4-56.1-176.2000113.5T159 L197 C203 C231 C234 R235 E236 I239 M247T159-L201 HydrophobicContact CG2-CD1 4.22Å; L197-L201 HydrophobicContact CD2-CD1 4.43Å; L197-L201 VanDerWaalsContact O-CB 3.22Å; L197-L201 WeakPolarHBondContact O-CB 3.16Å; L197-L201 WeakPolarHBondContact O-CG 3.33Å; L197-L201 PolarHBondContact O-N 3.18Å; L201-C203 HydrophobicContact CB-CB 4.33Å; L201-C203 PolarHBondContact O-N 2.84Å; L201-C231 HydrophobicContact CD1-CB 3.91Å; L201-C234 HydrophobicContact CB-CB 4.44Å; L201-C234 WeakPolarHBondContact O-CA 3.5Å; L201-R235 PolarHBondContact O-N 3.33Å; L201-R235 VanDerWaalsContact O-N 3.1Å; L201-E236 PolarHBondContact O-N 2.89Å; L201-E236 VanDerWaalsContact O-N 3.11Å; L201-I239 HydrophobicContact CD1-CD1 4.22Å; L201-I239 HydrophobicContact CD2-CD1 3.4Å; L201-I239 VanDerWaalsContact CD2-CD1 3.4Å; L201-I239 HydrophobicContact CD2-CG1 3.77Å; L201-I239 HydrophobicContact CG-CD1 4.46Å; L201-M247 HydrophobicContact CD2-CE 4.48Å; L201-M247 HydrophobicContact CD2-SD 4.13Å; L201-M247 HydrophobicContact CG-SD 4.22Å
202R96.3Very high94.9Very high85 Ų8543.5 Ų43.532%0.32122%0.221SC..THydrogen-bonded Turntrans49.647.5-172.7-65.2172.958.5-141.5-6.5110.6E26 N27 K198 R235 E236E26-R202 PolarHBondContact O-NH2 3.08Å; N27-R202 PolarHBondContact O-NH1 3.03Å; K198-R202 WeakPolarHBondContact O-CA 3.18Å; K198-R202 PolarHBondContact O-N 3.21Å; R202-R235 HydrophobicContact CB-CB 3.95Å; R202-R235 WeakPolarHBondContact O-CD 3.4Å; R202-R235 PolarHBondContact O-N 3.34Å; R202-R235 PolarHBondContact O-NH1 2.98Å; R202-E236 HydrophobicContact CB-CG 4.41Å; R202-E236 HydrophobicContact CG-CG 4.17Å; R202-E236 IonicContact NH1-OE1 3.84Å; R202-E236 PolarHBondContact NH1-OE1 3.33Å; R202-E236 VanDerWaalsContact NH1-OE1 3.1Å
203C96.4Very high94.5Very high9 Ų949 Ų496%0.06124%0.241CC..  trans-95.9150.1-17770.40000111.6K198 L201 C231 I232 C234K198-C203 PolarHBondContact O-N 2.94Å; L201-C203 HydrophobicContact CB-CB 4.33Å; L201-C203 PolarHBondContact O-N 2.84Å; C203-C231 HydrophobicContact CB-CB 4.12Å; C203-I232 WeakPolarHBondContact CB-O 3.32Å; C203-C234 HydrophobicContact CB-CB 4.4Å
204D94.9Very high94.2Very high97 Ų9750.2 Ų50.252%0.51925%0.247SC..SBendtrans-74.6-39.6-179.6-60.1-49.6000111.4K198 I232 R235K198-D204 WeakPolarHBondContact CE-O 3.47Å; K198-D204 PolarHBondContact NZ-O 3.27Å; K198-D204 VanDerWaalsContact NZ-O 3.17Å; D204-I232 PolarHBondContact N-O 3.07Å; D204-R235 IonicContact OD1-CZ 3.84Å; D204-R235 IonicContact OD1-NH1 3.48Å; D204-R235 PolarHBondContact OD1-NH1 2.87Å; D204-R235 IonicContact OD1-NH2 3.77Å; D204-R235 PolarHBondContact OD1-NH2 2.86Å; D204-R235 IonicContact OD2-CZ 3.34Å; D204-R235 IonicContact OD2-NH1 3.66Å; D204-R235 PolarHBondContact OD2-NH1 2.89Å; D204-R235 VanDerWaalsContact OD2-NH1 3.12Å; D204-R235 IonicContact OD2-NH2 2.94Å
205G94.9Very high94Very high19 Ų1951.6 Ų51.620%0.19625%0.252CS..EExtended strand (participates in β ladder)trans-141.4151.6-169.200000112.8C231 I232G205-C231 WeakPolarHBondContact O-CA 3.46Å; G205-I232 PolarHBondContact N-O 3.3Å; G205-I232 PolarHBondContact O-N 2.93Å
206V96.5Very high93.9Very high15 Ų1547 Ų479%0.09124%0.236CC..EExtended strand (participates in β ladder)trans-131.6121.2177176.30000107.6A194 L197 K198 V229 Q230A194-V206 HydrophobicContact CB-CB 3.96Å; A194-V206 HydrophobicContact CB-CG1 4.15Å; A194-V206 HydrophobicContact CB-CG2 4.12Å; L197-V206 HydrophobicContact CB-CG2 4.39Å; L197-V206 HydrophobicContact CD1-CG1 4.4Å; K198-V206 HydrophobicContact CG-CG2 3.89Å; V206-V229 HydrophobicContact CG1-CG2 3.31Å; V206-Q230 WeakPolarHBondContact CA-O 3.43Å
207V95.7Very high93.7Very high72 Ų7249.1 Ų49.144%0.43625%0.247SC..EExtended strand (participates in β ladder)trans-112.5115.1177.8-1800000108.3V229 Q230 I232V207-V229 CarbonylContact O-C 3.49Å; V207-V229 WeakPolarHBondContact O-CA 3.4Å; V207-Q230 HydrophobicContact CB-CB 4.28Å; V207-Q230 PolarHBondContact N-O 2.71Å; V207-Q230 PolarHBondContact O-N 2.9Å; V207-I232 HydrophobicContact CG2-CD1 3.73Å
208F95.3Very high93.7Very high15 Ų1549.3 Ų49.37%0.06625%0.248CC..EExtended strand (participates in β ladder)trans-103.5140-177.9172.6-92.3000111.3Y165 Q174 T175 I189 Q190 L193 A210 F227Y165-F208 HydrophobicContact CD1-CZ 4.11Å; Y165-F208 AromaticContact CE1-CZ 3.97Å; Y165-F208 HydrophobicContact CE1-CZ 3.97Å; Q174-F208 HydrophobicContact CB-CE1 4.28Å; T175-F208 HydrophobicContact CG2-CD1 3.91Å; I189-F208 HydrophobicContact CG2-CE2 4.13Å; I189-F208 HydrophobicContact CG2-CZ 3.97Å; Q190-F208 HydrophobicContact CB-CB 3.91Å; Q190-F208 HydrophobicContact CB-CD1 4.37Å; Q190-F208 HydrophobicContact CB-CG 4.17Å; Q190-F208 HydrophobicContact CG-CB 3.69Å; Q190-F208 HydrophobicContact CG-CG 4.47Å; L193-F208 HydrophobicContact CD1-CD2 3.65Å; L193-F208 HydrophobicContact CD1-CE2 3.61Å; F208-A210 HydrophobicContact CE1-CB 3.78Å; F208-A210 HydrophobicContact CZ-CB 4.01Å; F208-F227 HydrophobicContact CD2-CB 4.35Å; F208-F227 AromaticContact CD2-CD2 3.89Å; F208-F227 HydrophobicContact CD2-CD2 3.89Å; F208-F227 HydrophobicContact CD2-CG 4.33Å; F208-F227 HydrophobicContact CE2-CB 3.52Å; F208-F227 HydrophobicContact CE2-CD1 4.32Å; F208-F227 AromaticContact CE2-CD2 3.53Å; F208-F227 HydrophobicContact CE2-CD2 3.53Å; F208-F227 HydrophobicContact CE2-CE2 4.33Å; F208-F227 AromaticContact CE2-CG 3.53Å; F208-F227 HydrophobicContact CE2-CG 3.53Å; F208-F227 HydrophobicContact CZ-CB 3.82Å; F208-F227 HydrophobicContact CZ-CG 4.24Å
209S93.9Very high93.6Very high36 Ų3648.5 Ų48.525%0.25224%0.242SC..EExtended strand (participates in β ladder)trans-137.2115.2173.7-167.10000109.5F227 V228S209-F227 WeakPolarHBondContact O-CA 3.36Å; S209-V228 PolarHBondContact N-O 2.94Å; S209-V228 PolarHBondContact O-N 3.11Å
210A91.7Very high93.7Very high12 Ų1241.4 Ų41.410%0.09921%0.209CC..EExtended strand (participates in β ladder)trans-81.6150.317400000111.3Y165 F208 G212Y165-A210 HydrophobicContact CE1-CB 4.18Å; F208-A210 HydrophobicContact CE1-CB 3.78Å; F208-A210 HydrophobicContact CZ-CB 4.01Å; A210-G212 WeakPolarHBondContact CB-O 3.42Å; A210-G212 PolarHBondContact O-N 3.34Å
211G87.5Confident93.6Very high10 Ų1039.4 Ų39.410%0.10320%0.204CC..SBendtrans-75.363.4170.600000111.7R225 P226G211-R225 WeakPolarHBondContact O-CD 3.3Å; G211-R225 PolarHBondContact O-NH1 3.22Å; G211-P226 WeakPolarHBondContact CA-O 3.46Å; G211-P226 PolarHBondContact N-O 3.19Å
212G85.8Confident93.3Very high9 Ų940.3 Ų40.39%0.09321%0.213CC..SBendtrans100.4178.8-176.300000114.4Q174 A210 R225 E278Q174-G212 PolarHBondContact NE2-O 2.84Å; A210-G212 WeakPolarHBondContact CB-O 3.42Å; A210-G212 PolarHBondContact O-N 3.34Å; G212-R225 VanDerWaalsContact O-CD 3.31Å; G212-R225 WeakPolarHBondContact O-CD 3.34Å; G212-R225 PolarHBondContact O-NE 3.26Å; G212-E278 PolarHBondContact N-OE1 2.94Å
213R87.6Confident93Very high161 Ų16140.1 Ų40.161%0.60822%0.218SC*.  trans-121.9146.6-171.8-59.8-177.368982.7112.3R225R213-R225 PolarHBondContact O-NH2 3.12Å
214E90.1Very high92.8Very high25 Ų2540 Ų4012%0.11722%0.219CC..  trans-122.6160.9163.767-69.6149.700109.4Y165 Q174 V218 M220 R225Y165-E214 PolarHBondContact OH-OE1 3.32Å; Y165-E214 PolarHBondContact OH-OE2 2.94Å; Y165-E214 VanDerWaalsContact OH-OE2 3.04Å; Q174-E214 WeakPolarHBondContact CG-OE1 3.35Å; Q174-E214 PolarHBondContact NE2-OE1 2.66Å; Q174-E214 PolarHBondContact NE2-OE2 3.33Å; E214-V218 HydrophobicContact CB-CB 4.11Å; E214-V218 HydrophobicContact CB-CG1 4.07Å; E214-V218 HydrophobicContact CG-CB 4.36Å; E214-M220 HydrophobicContact CB-CE 4.35Å; E214-M220 HydrophobicContact CG-CE 4.35Å; E214-R225 IonicContact OE2-CZ 2.73Å; E214-R225 VanDerWaalsContact OE2-CZ 3.24Å; E214-R225 IonicContact OE2-NE 3.39Å; E214-R225 PolarHBondContact OE2-NE 2.92Å; E214-R225 IonicContact OE2-NH2 3.14Å; E214-R225 PolarHBondContact OE2-NH2 3.06Å
215D92.3Very high92.7Very high41 Ų4136 Ų3622%0.21920%0.196CC..  trans-71.2157.3172-66.2-43.6000109.9K167 D217 V218 R318 K359K167-D215 PolarHBondContact NZ-O 2.82Å; D215-D217 WeakPolarHBondContact CB-OD1 3.08Å; D215-D217 PolarHBondContact O-N 2.93Å; D215-V218 HydrophobicContact CB-CG2 3.88Å; D215-V218 WeakPolarHBondContact O-CB 3.49Å; D215-V218 PolarHBondContact O-N 2.65Å; D215-V218 VanDerWaalsContact O-N 3.11Å; D215-R318 IonicContact OD1-CZ 3.37Å; D215-R318 IonicContact OD1-NH1 2.71Å; D215-R318 PolarHBondContact OD1-NH1 2.89Å; D215-R318 IonicContact OD2-CZ 3.85Å; D215-R318 VanDerWaalsContact OD2-CZ 3.23Å; D215-R318 IonicContact OD2-NH1 2.68Å; D215-R318 PolarHBondContact OD2-NH1 2.74Å; D215-R318 IonicContact OD2-NH2 3.75Å; D215-R318 PolarHBondContact OD2-NH2 3.1Å; D215-K359 IonicContact OD2-NZ 3.39Å
216V92.5Very high92.6Very high47 Ų4736.8 Ų36.829%0.28520%0.198SC..THydrogen-bonded Turntrans-59.2-34-174.765.20000112.5K167 R170 Y173 V218K167-V216 PolarHBondContact NZ-O 2.77Å; R170-V216 CarbonylContact C-O 3.52Å; R170-V216 VanDerWaalsContact C-O 3.24Å; R170-V216 CarbonylContact O-C 3.55Å; R170-V216 VanDerWaalsContact O-O 3.1Å; Y173-V216 HydrophobicContact CD1-CB 4.16Å; Y173-V216 HydrophobicContact CD1-CG2 3.95Å; Y173-V216 HydrophobicContact CD2-CG2 3.95Å; Y173-V216 HydrophobicContact CE1-CB 3.85Å; Y173-V216 HydrophobicContact CE1-CG1 4.45Å; Y173-V216 HydrophobicContact CE1-CG2 3.74Å; Y173-V216 HydrophobicContact CE2-CG2 3.73Å; Y173-V216 HydrophobicContact CG-CG2 4.06Å; V216-V218 VanDerWaalsContact C-N 3.32Å; V216-V218 PolarHBondContact O-N 3.33Å
217D94.6Very high92.5Very high61 Ų6136.3 Ų36.333%0.32619%0.194SC..THydrogen-bonded Turntrans-82.4-2.7-178.961.8-27000115.1R170 D215 K359R170-D217 WeakPolarHBondContact CG-O 3.46Å; R170-D217 PolarHBondContact NH1-O 3.02Å; R170-D217 WeakPolarHBondContact O-CA 3.35Å; D215-D217 WeakPolarHBondContact CB-OD1 3.08Å; D215-D217 PolarHBondContact O-N 2.93Å; D217-K359 IonicContact OD1-NZ 2.87Å; D217-K359 PolarHBondContact OD1-NZ 3.27Å; D217-K359 IonicContact OD2-NZ 3.63Å; D217-K359 PolarHBondContact OD2-NZ 3.26Å
218V96.3Very high92.5Very high5 Ų533 Ų333%0.0318%0.175CC..  trans-96.9132.3-178177.90000110.6K167 E214 D215 V216 L386 V388K167-V218 WeakPolarHBondContact CE-O 3.46Å; K167-V218 PolarHBondContact NZ-O 2.87Å; E214-V218 HydrophobicContact CB-CB 4.11Å; E214-V218 HydrophobicContact CB-CG1 4.07Å; E214-V218 HydrophobicContact CG-CB 4.36Å; D215-V218 HydrophobicContact CB-CG2 3.88Å; D215-V218 WeakPolarHBondContact O-CB 3.49Å; D215-V218 PolarHBondContact O-N 2.65Å; D215-V218 VanDerWaalsContact O-N 3.11Å; V216-V218 VanDerWaalsContact C-N 3.32Å; V216-V218 PolarHBondContact O-N 3.33Å; V218-L386 WeakPolarHBondContact CA-O 3.43Å; V218-L386 HydrophobicContact CG1-CD2 4.45Å; V218-L386 HydrophobicContact CG1-CG 4.29Å; V218-L386 HydrophobicContact CG2-CB 4.14Å; V218-L386 HydrophobicContact CG2-CD2 3.9Å; V218-L386 HydrophobicContact CG2-CG 4.25Å; V218-V388 HydrophobicContact CG1-CG2 3.81Å
219R96.8Very high92.6Very high75 Ų7532.3 Ų32.328%0.28317%0.172SC..EExtended strand (participates in β ladder)trans-82.7148171.2-60.5-170.6-64.6-174.2-2.7110.9K167 F168 R170 L221 L386 D387 V388K167-R219 WeakPolarHBondContact O-CA 3.45Å; K167-R219 WeakPolarHBondContact O-CB 3.22Å; F168-R219 WeakPolarHBondContact O-CD 3.43Å; F168-R219 WeakPolarHBondContact O-CG 3.16Å; R170-R219 HydrophobicContact CG-CG 4Å; R219-L221 HydrophobicContact CB-CD1 4.28Å; R219-L221 HydrophobicContact CB-CD2 4.03Å; R219-L221 HydrophobicContact CB-CG 3.92Å; R219-L386 PolarHBondContact N-O 3.48Å; R219-D387 HydrophobicContact CB-CB 4.4Å; R219-D387 WeakPolarHBondContact CB-OD1 3.43Å; R219-D387 IonicContact CZ-OD1 2.93Å; R219-D387 IonicContact CZ-OD2 2.84Å; R219-D387 IonicContact NE-OD1 3.34Å; R219-D387 PolarHBondContact NE-OD1 3.4Å; R219-D387 IonicContact NE-OD2 3.55Å; R219-D387 PolarHBondContact NE-OD2 3.47Å; R219-D387 IonicContact NH2-OD1 2.88Å; R219-D387 IonicContact NH2-OD2 2.79Å; R219-D387 PolarHBondContact NH2-OD2 3.25Å; R219-V388 PolarHBondContact O-N 3.45Å
220M95.9Very high92.8Very high7 Ų733.2 Ų33.23%0.03417%0.172CC..EExtended strand (participates in β ladder)trans-112.697.1174.3-177.660.252.700108.2Y165 I166 K167 E214 R225 V388Y165-M220 HydrophobicContact CD2-CG 4.48Å; Y165-M220 HydrophobicContact CE2-CB 4Å; Y165-M220 HydrophobicContact CE2-CG 4.03Å; I166-M220 CarbonylContact C-O 3.53Å; I166-M220 VanDerWaalsContact CA-O 3.3Å; I166-M220 WeakPolarHBondContact CA-O 3.21Å; I166-M220 WeakPolarHBondContact CG2-O 3.36Å; K167-M220 HydrophobicContact CB-CB 3.74Å; K167-M220 PolarHBondContact N-O 2.84Å; K167-M220 PolarHBondContact O-N 2.93Å; E214-M220 HydrophobicContact CB-CE 4.35Å; E214-M220 HydrophobicContact CG-CE 4.35Å; M220-R225 HydrophobicContact CE-CB 4.26Å; M220-R225 HydrophobicContact CG-CB 3.76Å; M220-R225 HydrophobicContact SD-CB 3.91Å; M220-V388 HydrophobicContact CE-CB 3.6Å; M220-V388 HydrophobicContact CE-CG1 3.83Å; M220-V388 HydrophobicContact CE-CG2 3.54Å; M220-V388 HydrophobicContact SD-CB 3.67Å; M220-V388 HydrophobicContact SD-CG1 3.66Å; M220-V388 HydrophobicContact SD-CG2 4.31Å
221L94.6Very high93.1Very high26 Ų2632.7 Ų32.714%0.13617%0.167CC..EExtended strand (participates in β ladder)trans-108-167.9-172.1-56-176.8000111I166 F168 R219 N223 G224 D387 V388 Q389I166-L221 HydrophobicContact CG2-CD2 4.28Å; F168-L221 HydrophobicContact CD1-CD2 3.99Å; F168-L221 HydrophobicContact CE1-CD2 4.4Å; R219-L221 HydrophobicContact CB-CD1 4.28Å; R219-L221 HydrophobicContact CB-CD2 4.03Å; R219-L221 HydrophobicContact CB-CG 3.92Å; L221-N223 PolarHBondContact O-N 2.86Å; L221-G224 PolarHBondContact O-N 3.07Å; L221-D387 HydrophobicContact CD1-CB 4.02Å; L221-V388 WeakPolarHBondContact CA-O 3.36Å; L221-V388 WeakPolarHBondContact CB-O 3.37Å; L221-V388 PolarHBondContact N-O 2.88Å; L221-Q389 VanDerWaalsContact CD1-NE2 3.33Å
222G89.8Confident93.5Very high19 Ų1935.4 Ų35.420%0.19618%0.179CC..EExtended strand (participates in β ladder)trans63.7-126.4-17700000112.1G224 S390 N393G222-G224 PolarHBondContact O-N 2.94Å; G222-S390 WeakPolarHBondContact CA-OG 3.28Å; G222-N393 WeakPolarHBondContact CA-ND2 3.49Å
223N89.9Confident93.9Very high82 Ų8235.5 Ų35.544%0.43918%0.179SC..EExtended strand (participates in β ladder)trans-76.80.6-178.2-58.32.6000112.7R164 L221 S390R164-N223 VanDerWaalsContact CD-O 3.27Å; R164-N223 WeakPolarHBondContact CD-O 3.28Å; R164-N223 PolarHBondContact NE-O 3.32Å; L221-N223 PolarHBondContact O-N 2.86Å; N223-S390 PolarHBondContact N-OG 2.8Å; N223-S390 VanDerWaalsContact N-OG 3.12Å; N223-S390 PolarHBondContact OD1-OG 3.29Å
224G92.9Very high94.3Very high6 Ų627.8 Ų27.86%0.06215%0.15CC..EExtended strand (participates in β ladder)trans72.2174.7-176.100000113.6R164 Y165 L221 G222R164-G224 PolarHBondContact NE-O 3.31Å; R164-G224 PolarHBondContact NH2-O 2.97Å; Y165-G224 CarbonylContact O-C 3.58Å; Y165-G224 WeakPolarHBondContact O-CA 3.35Å; L221-G224 PolarHBondContact O-N 3.07Å; G222-G224 PolarHBondContact O-N 2.94Å
225R91.8Very high94.5Very high13 Ų1327.9 Ų27.95%0.04915%0.15CC..EExtended strand (participates in β ladder)trans-93.9133.2176.2-174.8-174.5-66.3-73.72.8110.2R164 Y165 G211 G212 R213 E214 M220R164-R225 CarbonylContact C-O 3.39Å; R164-R225 WeakPolarHBondContact CA-O 3.34Å; Y165-R225 HydrophobicContact CD1-CB 4.36Å; Y165-R225 HydrophobicContact CE1-CB 3.81Å; Y165-R225 HydrophobicContact CE1-CG 4.21Å; Y165-R225 HydrophobicContact CE2-CB 4.08Å; Y165-R225 PolarHBondContact N-O 2.78Å; Y165-R225 PolarHBondContact O-N 2.86Å; Y165-R225 WeakPolarHBondContact OH-CD 3.17Å; Y165-R225 PolarHBondContact OH-NE 3.29Å; G211-R225 WeakPolarHBondContact O-CD 3.3Å; G211-R225 PolarHBondContact O-NH1 3.22Å; G212-R225 VanDerWaalsContact O-CD 3.31Å; G212-R225 WeakPolarHBondContact O-CD 3.34Å; G212-R225 PolarHBondContact O-NE 3.26Å; R213-R225 PolarHBondContact O-NH2 3.12Å; E214-R225 IonicContact OE2-CZ 2.73Å; E214-R225 VanDerWaalsContact OE2-CZ 3.24Å; E214-R225 IonicContact OE2-NE 3.39Å; E214-R225 PolarHBondContact OE2-NE 2.92Å; E214-R225 IonicContact OE2-NH2 3.14Å; E214-R225 PolarHBondContact OE2-NH2 3.06Å; M220-R225 HydrophobicContact CE-CB 4.26Å; M220-R225 HydrophobicContact CG-CB 3.76Å; M220-R225 HydrophobicContact SD-CB 3.91Å
226P93Very high94.6Very high35 Ų3527.9 Ų27.923%0.22715%0.148CC..EExtended strand (participates in β ladder)trans-63.6146173.128.7-33.8000111G163 G211G163-P226 CarbonylContact O-C 3.57Å; G163-P226 WeakPolarHBondContact O-CA 3.36Å; G211-P226 WeakPolarHBondContact CA-O 3.46Å; G211-P226 PolarHBondContact N-O 3.19Å
227F95.1Very high94.3Very high5 Ų525.7 Ų25.72%0.02214%0.135CC..EExtended strand (participates in β ladder)trans-144.6161.4172.171.4-90.6000110.3A162 G163 Y165 L193 F208 S209 V229 I260 L263A162-F227 WeakPolarHBondContact CA-O 3.48Å; G163-F227 VanDerWaalsContact C-CE1 3.42Å; G163-F227 PolarHBondContact N-O 3.18Å; G163-F227 VanDerWaalsContact N-O 3.1Å; G163-F227 WeakPolarHBondContact O-CD1 3.44Å; G163-F227 PolarHBondContact O-N 3.49Å; Y165-F227 HydrophobicContact CD1-CB 4.35Å; Y165-F227 AromaticContact CD1-CD1 3.86Å; Y165-F227 HydrophobicContact CD1-CD1 3.86Å; Y165-F227 HydrophobicContact CD1-CG 4.42Å; L193-F227 HydrophobicContact CD1-CE2 4.13Å; L193-F227 HydrophobicContact CD1-CZ 4.36Å; L193-F227 HydrophobicContact CD2-CE2 3.93Å; L193-F227 HydrophobicContact CD2-CZ 3.94Å; F208-F227 HydrophobicContact CD2-CB 4.35Å; F208-F227 AromaticContact CD2-CD2 3.89Å; F208-F227 HydrophobicContact CD2-CD2 3.89Å; F208-F227 HydrophobicContact CD2-CG 4.33Å; F208-F227 HydrophobicContact CE2-CB 3.52Å; F208-F227 HydrophobicContact CE2-CD1 4.32Å; F208-F227 AromaticContact CE2-CD2 3.53Å; F208-F227 HydrophobicContact CE2-CD2 3.53Å; F208-F227 HydrophobicContact CE2-CE2 4.33Å; F208-F227 AromaticContact CE2-CG 3.53Å; F208-F227 HydrophobicContact CE2-CG 3.53Å; F208-F227 HydrophobicContact CZ-CB 3.82Å; F208-F227 HydrophobicContact CZ-CG 4.24Å; S209-F227 WeakPolarHBondContact O-CA 3.36Å; F227-V229 HydrophobicContact CD2-CB 4.49Å; F227-V229 HydrophobicContact CE2-CB 4.42Å; F227-V229 HydrophobicContact CE2-CG1 4.12Å; F227-I260 HydrophobicContact CE1-CD1 3.87Å; F227-I260 HydrophobicContact CE1-CG2 4.17Å; F227-I260 HydrophobicContact CZ-CD1 4.08Å; F227-I260 HydrophobicContact CZ-CG2 4.02Å; F227-L263 HydrophobicContact CZ-CD1 4.22Å
228V96.4Very high93.8Very high4 Ų426.5 Ų26.52%0.02414%0.14CC..EExtended strand (participates in β ladder)trans-124.8147.5167.4-610000109.6L161 A162 S209 F271 L274 K275L161-V228 CarbonylContact O-C 3.57Å; L161-V228 WeakPolarHBondContact O-CA 3.37Å; A162-V228 HydrophobicContact CB-CG1 4.07Å; S209-V228 PolarHBondContact N-O 2.94Å; S209-V228 PolarHBondContact O-N 3.11Å; V228-F271 HydrophobicContact CB-CD2 3.69Å; V228-F271 HydrophobicContact CB-CE2 3.47Å; V228-F271 VanDerWaalsContact CB-CE2 3.47Å; V228-F271 HydrophobicContact CB-CZ 4.18Å; V228-F271 HydrophobicContact CG1-CD2 4.16Å; V228-F271 HydrophobicContact CG1-CE2 4.41Å; V228-F271 HydrophobicContact CG2-CD2 4.06Å; V228-F271 HydrophobicContact CG2-CE1 4.35Å; V228-F271 HydrophobicContact CG2-CE2 3.55Å; V228-F271 HydrophobicContact CG2-CZ 3.71Å; V228-L274 HydrophobicContact CG1-CB 3.65Å; V228-L274 HydrophobicContact CG1-CD1 4.2Å; V228-K275 HydrophobicContact CG2-CB 4.48Å
229V97.4Very high93.5Very high0 Ų027.3 Ų27.30%014%0.143CC..EExtended strand (participates in β ladder)trans-135134.3177.963.70000110.3L161 L197 V206 V207 F227L161-V229 HydrophobicContact CB-CG1 3.65Å; L161-V229 HydrophobicContact CD1-CG1 4.36Å; L161-V229 HydrophobicContact CG-CG1 4.36Å; L161-V229 PolarHBondContact N-O 3.06Å; L161-V229 PolarHBondContact O-N 2.88Å; L197-V229 HydrophobicContact CD1-CG1 4.03Å; L197-V229 HydrophobicContact CD1-CG2 3.97Å; V206-V229 HydrophobicContact CG1-CG2 3.31Å; V207-V229 CarbonylContact O-C 3.49Å; V207-V229 WeakPolarHBondContact O-CA 3.4Å; F227-V229 HydrophobicContact CD2-CB 4.49Å; F227-V229 HydrophobicContact CE2-CB 4.42Å; F227-V229 HydrophobicContact CE2-CG1 4.12Å
230Q97.2Very high93.2Very high55 Ų5527.9 Ų27.926%0.25715%0.152SC..EExtended strand (participates in β ladder)trans-110.4118177.1176.7177.438.600109P158 L160 V206 V207 I232 F271P158-Q230 HydrophobicContact CB-CG 3.53Å; P158-Q230 HydrophobicContact CG-CG 4.31Å; P158-Q230 VanDerWaalsContact CG-NE2 3.33Å; L160-Q230 HydrophobicContact CD2-CB 3.88Å; L160-Q230 HydrophobicContact CD2-CG 3.7Å; V206-Q230 WeakPolarHBondContact CA-O 3.43Å; V207-Q230 HydrophobicContact CB-CB 4.28Å; V207-Q230 PolarHBondContact N-O 2.71Å; V207-Q230 PolarHBondContact O-N 2.9Å; Q230-I232 HydrophobicContact CG-CG1 4.02Å; Q230-F271 HydrophobicContact CB-CE2 4.3Å; Q230-F271 HydrophobicContact CB-CZ 4.16Å
231C97.6Very high93.2Very high0 Ų033 Ų330%018%0.176CC..EExtended strand (participates in β ladder)trans-96.2121.4173.6-600000109P158 T159 L201 C203 G205 C234P158-C231 CarbonylContact C-O 3.38Å; P158-C231 VanDerWaalsContact CA-O 3.23Å; P158-C231 WeakPolarHBondContact CA-O 3.45Å; P158-C231 WeakPolarHBondContact CB-O 3.38Å; T159-C231 PolarHBondContact N-O 2.68Å; T159-C231 PolarHBondContact O-N 3.17Å; L201-C231 HydrophobicContact CD1-CB 3.91Å; C203-C231 HydrophobicContact CB-CB 4.12Å; G205-C231 WeakPolarHBondContact O-CA 3.46Å; C231-C234 VanDerWaalsContact CB-SG 3.51Å
232I96.1Very high93.2Very high68 Ų6836.5 Ų36.535%0.34919%0.194SC..EExtended strand (participates in β ladder)trans-105.8133.4-170.8-56.8173.9000109C203 D204 G205 V207 Q230C203-I232 WeakPolarHBondContact CB-O 3.32Å; D204-I232 PolarHBondContact N-O 3.07Å; G205-I232 PolarHBondContact N-O 3.3Å; G205-I232 PolarHBondContact O-N 2.93Å; V207-I232 HydrophobicContact CG2-CD1 3.73Å; Q230-I232 HydrophobicContact CG-CG1 4.02Å
233G94.8Very high93.5Very high10 Ų1036.3 Ų36.310%0.10319%0.189CC..SBendtrans69.936177.400000113.1T156 R235T156-G233 WeakPolarHBondContact OG1-CA 3.48Å; G233-R235 VanDerWaalsContact O-CD 3.24Å; G233-R235 WeakPolarHBondContact O-CD 3.35Å; G233-R235 PolarHBondContact O-N 3.14Å; G233-R235 PolarHBondContact O-NH1 2.86Å
234C95.7Very high93.8Very high0 Ų032.7 Ų32.70%017%0.169CC..  trans-60.8133.5176.6-56.50000110.2T156 T159 L201 C203 C231 C237T156-C234 VanDerWaalsContact CG2-O 3.32Å; T156-C234 WeakPolarHBondContact CG2-O 3.12Å; T156-C234 PolarHBondContact OG1-N 2.87Å; T156-C234 PolarHBondContact OG1-O 3.27Å; T159-C234 PolarHBondContact OG1-SG 2.96Å; T159-C234 VanDerWaalsContact OG1-SG 3.34Å; L201-C234 HydrophobicContact CB-CB 4.44Å; L201-C234 WeakPolarHBondContact O-CA 3.5Å; C203-C234 HydrophobicContact CB-CB 4.4Å; C231-C234 VanDerWaalsContact CB-SG 3.51Å; C234-C237 PolarHBondContact O-SG 3.1Å; C234-C237 VanDerWaalsContact O-SG 3.39Å
235R94.8Very high94.1Very high27 Ų2737 Ų3710%0.10219%0.188CC..SBendtrans-91.8-25.8167.2-76.857.5165.8-155.60111.1E26 Y28 K29 L201 R202 D204 G233E26-R235 WeakPolarHBondContact O-CG 3.38Å; E26-R235 IonicContact OE1-NH2 2.68Å; E26-R235 IonicContact OE2-CZ 2.73Å; E26-R235 IonicContact OE2-NE 2.73Å; E26-R235 PolarHBondContact OE2-NE 3.31Å; E26-R235 IonicContact OE2-NH2 3.71Å; E26-R235 PolarHBondContact OE2-NH2 3.3Å; Y28-R235 HydrophobicContact CD1-CB 4.11Å; Y28-R235 HydrophobicContact CD1-CG 3.78Å; Y28-R235 HydrophobicContact CE1-CB 4.39Å; Y28-R235 HydrophobicContact CE1-CG 3.68Å; Y28-R235 HydrophobicContact CG-CG 4.26Å; K29-R235 PolarHBondContact N-O 3.49Å; L201-R235 PolarHBondContact O-N 3.33Å; L201-R235 VanDerWaalsContact O-N 3.1Å; R202-R235 HydrophobicContact CB-CB 3.95Å; R202-R235 WeakPolarHBondContact O-CD 3.4Å; R202-R235 PolarHBondContact O-N 3.34Å; R202-R235 PolarHBondContact O-NH1 2.98Å; D204-R235 IonicContact OD1-CZ 3.84Å; D204-R235 IonicContact OD1-NH1 3.48Å; D204-R235 PolarHBondContact OD1-NH1 2.87Å; D204-R235 IonicContact OD1-NH2 3.77Å; D204-R235 PolarHBondContact OD1-NH2 2.86Å; D204-R235 IonicContact OD2-CZ 3.34Å; D204-R235 IonicContact OD2-NH1 3.66Å; D204-R235 PolarHBondContact OD2-NH1 2.89Å; D204-R235 VanDerWaalsContact OD2-NH1 3.12Å; D204-R235 IonicContact OD2-NH2 2.94Å; G233-R235 VanDerWaalsContact O-CD 3.24Å; G233-R235 WeakPolarHBondContact O-CD 3.35Å; G233-R235 PolarHBondContact O-N 3.14Å; G233-R235 PolarHBondContact O-NH1 2.86Å
236E93.4Very high94.4Very high40 Ų4041.1 Ų41.119%0.18721%0.207CC..BIsolated β-bridgetrans-99.995.7173.6-55.7-63.1147.300109.6K29 L201 R202K29-E236 WeakPolarHBondContact CB-OE2 3.08Å; K29-E236 VanDerWaalsContact CG-CD 3.44Å; K29-E236 WeakPolarHBondContact CG-OE1 3.41Å; K29-E236 WeakPolarHBondContact CG-OE2 3.43Å; L201-E236 PolarHBondContact O-N 2.89Å; L201-E236 VanDerWaalsContact O-N 3.11Å; R202-E236 HydrophobicContact CB-CG 4.41Å; R202-E236 HydrophobicContact CG-CG 4.17Å; R202-E236 IonicContact NH1-OE1 3.84Å; R202-E236 PolarHBondContact NH1-OE1 3.33Å; R202-E236 VanDerWaalsContact NH1-OE1 3.1Å
237C85.9Confident94.6Very high2 Ų239.6 Ų39.61%0.01420%0.197CC..  trans-105.4-7.4-175.9-53.30000114.1K29 V30 K84 C234 I239K29-C237 PolarHBondContact O-N 3Å; V30-C237 HydrophobicContact CG1-CB 3.86Å; K84-C237 HydrophobicContact CD-CB 3.81Å; K84-C237 PolarHBondContact NZ-O 3.11Å; C234-C237 PolarHBondContact O-SG 3.1Å; C234-C237 VanDerWaalsContact O-SG 3.39Å; C237-I239 PolarHBondContact O-N 3.1Å
238N84.9Confident94.8Very high78 Ų7841.7 Ų41.742%0.41721%0.207SC..  trans-92.480.8178-68.7-17.9000108.6C31C31-N238 PolarHBondContact SG-ND2 2.75Å
239I89.3Confident94.9Very high21 Ų2144.8 Ų44.811%0.10823%0.229CC..  trans-100.3130.8-178.8-52.5166.8000107.6T159 L201 C237 D243 I244 M247T159-I239 HydrophobicContact CG2-CD1 3.41Å; T159-I239 VanDerWaalsContact CG2-CD1 3.41Å; L201-I239 HydrophobicContact CD1-CD1 4.22Å; L201-I239 HydrophobicContact CD2-CD1 3.4Å; L201-I239 VanDerWaalsContact CD2-CD1 3.4Å; L201-I239 HydrophobicContact CD2-CG1 3.77Å; L201-I239 HydrophobicContact CG-CD1 4.46Å; C237-I239 PolarHBondContact O-N 3.1Å; I239-D243 HydrophobicContact CG2-CB 3.75Å; I239-I244 HydrophobicContact CG2-CD1 3.73Å; I239-I244 HydrophobicContact CG2-CG1 3.9Å; I239-M247 HydrophobicContact CG2-CE 4.11Å
240N92.1Very high94.9Very high87 Ų8746.9 Ų46.947%0.46525%0.247SC..  trans-112.4179.2172.165.947.8000110.8L242 D243 I244N240-L242 VanDerWaalsContact C-N 3.32Å; N240-L242 PolarHBondContact O-N 2.85Å; N240-L242 WeakPolarHBondContact OD1-CA 3.5Å; N240-L242 VanDerWaalsContact OD1-CB 3.26Å; N240-L242 WeakPolarHBondContact OD1-CB 3.3Å; N240-L242 PolarHBondContact OD1-N 2.9Å; N240-D243 PolarHBondContact N-OD2 3.24Å; N240-D243 PolarHBondContact ND2-OD2 3.34Å; N240-D243 VanDerWaalsContact ND2-OD2 3.15Å; N240-D243 WeakPolarHBondContact O-CB 3.49Å; N240-D243 PolarHBondContact O-N 2.82Å; N240-D243 PolarHBondContact OD1-N 2.9Å; N240-D243 PolarHBondContact OD1-OD2 3.3Å; N240-I244 WeakPolarHBondContact O-CG1 3.21Å; N240-I244 PolarHBondContact O-N 2.98Å
241Q94Very high94.9Very high116 Ų11644.3 Ų44.354%0.54223%0.234SC..Hα-helixtrans-61.1-38-178.9-175.957.232.200113.3D243 I244 E245Q241-D243 VanDerWaalsContact C-N 3.31Å; Q241-D243 PolarHBondContact O-N 3.11Å; Q241-I244 WeakPolarHBondContact O-CB 3.22Å; Q241-I244 PolarHBondContact O-N 3.36Å; Q241-E245 WeakPolarHBondContact CG-OE1 3.42Å; Q241-E245 PolarHBondContact NE2-OE1 2.96Å; Q241-E245 WeakPolarHBondContact O-CG 3.43Å; Q241-E245 PolarHBondContact O-N 3.05Å
242L95.8Very high95Very high99 Ų9946.1 Ų46.152%0.51824%0.244SC..Hα-helixtrans-63.9-39177.3-179.968.9000111.2N240 I244 E245 Q246N240-L242 VanDerWaalsContact C-N 3.32Å; N240-L242 PolarHBondContact O-N 2.85Å; N240-L242 WeakPolarHBondContact OD1-CA 3.5Å; N240-L242 VanDerWaalsContact OD1-CB 3.26Å; N240-L242 WeakPolarHBondContact OD1-CB 3.3Å; N240-L242 PolarHBondContact OD1-N 2.9Å; L242-I244 VanDerWaalsContact C-N 3.32Å; L242-I244 PolarHBondContact O-N 3.31Å; L242-E245 PolarHBondContact O-N 3.36Å; L242-Q246 WeakPolarHBondContact O-CB 3.49Å; L242-Q246 VanDerWaalsContact O-CG 3.29Å; L242-Q246 WeakPolarHBondContact O-CG 3.24Å; L242-Q246 PolarHBondContact O-N 3.18Å
243D95.4Very high95Very high14 Ų1447.4 Ų47.48%0.07526%0.26CS..Hα-helixtrans-63.5-40.5177-59.8-46.9000111.7R200 I239 N240 Q241 Q246 M247R200-D243 IonicContact CZ-OD1 3.3Å; R200-D243 IonicContact NE-OD1 2.87Å; R200-D243 IonicContact NH2-OD1 3.66Å; R200-D243 PolarHBondContact NH2-OD1 2.77Å; R200-D243 IonicContact NH2-OD2 3.6Å; R200-D243 PolarHBondContact NH2-OD2 3.43Å; I239-D243 HydrophobicContact CG2-CB 3.75Å; N240-D243 PolarHBondContact N-OD2 3.24Å; N240-D243 PolarHBondContact ND2-OD2 3.34Å; N240-D243 VanDerWaalsContact ND2-OD2 3.15Å; N240-D243 WeakPolarHBondContact O-CB 3.49Å; N240-D243 PolarHBondContact O-N 2.82Å; N240-D243 PolarHBondContact OD1-N 2.9Å; N240-D243 PolarHBondContact OD1-OD2 3.3Å; Q241-D243 VanDerWaalsContact C-N 3.31Å; Q241-D243 PolarHBondContact O-N 3.11Å; D243-Q246 PolarHBondContact O-N 3.37Å; D243-M247 WeakPolarHBondContact O-CG 3.26Å; D243-M247 PolarHBondContact O-N 3.46Å
244I97.6Very high95Very high6 Ų649.1 Ų49.13%0.03127%0.27CS..Hα-helixtrans-62.3-46.6175.7-64.1-69.5000110.6L161 I239 N240 Q241 L242 Q246 M247 Q248 L263L161-I244 HydrophobicContact CD2-CD1 3.72Å; I239-I244 HydrophobicContact CG2-CD1 3.73Å; I239-I244 HydrophobicContact CG2-CG1 3.9Å; N240-I244 WeakPolarHBondContact O-CG1 3.21Å; N240-I244 PolarHBondContact O-N 2.98Å; Q241-I244 WeakPolarHBondContact O-CB 3.22Å; Q241-I244 PolarHBondContact O-N 3.36Å; L242-I244 VanDerWaalsContact C-N 3.32Å; L242-I244 PolarHBondContact O-N 3.31Å; I244-Q246 VanDerWaalsContact C-N 3.35Å; I244-Q246 PolarHBondContact O-N 2.86Å; I244-M247 HydrophobicContact CD1-CE 3.71Å; I244-M247 HydrophobicContact CG1-CE 4.45Å; I244-M247 PolarHBondContact O-N 3.36Å; I244-Q248 PolarHBondContact O-N 3.38Å; I244-L263 HydrophobicContact CG2-CB 4.12Å; I244-L263 HydrophobicContact CG2-CD2 4.33Å; I244-L263 HydrophobicContact CG2-CG 4.06Å; I244-L263 WeakPolarHBondContact CG2-O 3.49Å
245E97.9Very high95Very high97 Ų9750 Ų5045%0.45328%0.275SS..Hα-helixtrans-62-42.2178.4-72.8167.1-168.700112Q241 L242 Q248 S249Q241-E245 WeakPolarHBondContact CG-OE1 3.42Å; Q241-E245 PolarHBondContact NE2-OE1 2.96Å; Q241-E245 WeakPolarHBondContact O-CG 3.43Å; Q241-E245 PolarHBondContact O-N 3.05Å; L242-E245 PolarHBondContact O-N 3.36Å; E245-Q248 PolarHBondContact O-N 2.91Å; E245-S249 WeakPolarHBondContact O-CB 3.33Å; E245-S249 PolarHBondContact O-N 2.68Å
246Q97.9Very high95Very high99 Ų9956.1 Ų56.146%0.46331%0.31SS..Hα-helixtrans-63.2-44.2175.2-74175.4-200112L242 D243 I244 S249 A250L242-Q246 WeakPolarHBondContact O-CB 3.49Å; L242-Q246 VanDerWaalsContact O-CG 3.29Å; L242-Q246 WeakPolarHBondContact O-CG 3.24Å; L242-Q246 PolarHBondContact O-N 3.18Å; D243-Q246 PolarHBondContact O-N 3.37Å; I244-Q246 VanDerWaalsContact C-N 3.35Å; I244-Q246 PolarHBondContact O-N 2.86Å; Q246-S249 PolarHBondContact O-N 2.78Å; Q246-A250 VanDerWaalsContact O-CB 3.24Å; Q246-A250 WeakPolarHBondContact O-CB 3.47Å; Q246-A250 PolarHBondContact O-N 3.27Å
247M98Very high95.2Very high3 Ų356.4 Ų56.42%0.01531%0.313CS..Hα-helixtrans-61.4-45.4175.9-74.1-174.3-67.700111.5L161 V196 L197 R200 L201 I239 D243 I244 A250 I251 L263L161-M247 HydrophobicContact CD1-CE 4.42Å; V196-M247 HydrophobicContact CG1-CB 4.37Å; V196-M247 HydrophobicContact CG1-CG 4.39Å; L197-M247 HydrophobicContact CD2-SD 3.55Å; L197-M247 VanDerWaalsContact CD2-SD 3.55Å; R200-M247 HydrophobicContact CB-CG 3.97Å; R200-M247 HydrophobicContact CB-SD 3.93Å; R200-M247 HydrophobicContact CG-CG 3.63Å; R200-M247 HydrophobicContact CG-SD 3.6Å; R200-M247 VanDerWaalsContact CG-SD 3.6Å; L201-M247 HydrophobicContact CD2-CE 4.48Å; L201-M247 HydrophobicContact CD2-SD 4.13Å; L201-M247 HydrophobicContact CG-SD 4.22Å; I239-M247 HydrophobicContact CG2-CE 4.11Å; D243-M247 WeakPolarHBondContact O-CG 3.26Å; D243-M247 PolarHBondContact O-N 3.46Å; I244-M247 HydrophobicContact CD1-CE 3.71Å; I244-M247 HydrophobicContact CG1-CE 4.45Å; I244-M247 PolarHBondContact O-N 3.36Å; M247-A250 PolarHBondContact O-N 3.18Å; M247-I251 WeakPolarHBondContact O-CD1 3.36Å; M247-I251 VanDerWaalsContact O-CG1 3.24Å; M247-I251 WeakPolarHBondContact O-CG1 3.32Å; M247-I251 PolarHBondContact O-N 3.46Å; M247-L263 HydrophobicContact CB-CD2 4.15Å
248Q98.5Very high95.7Very high49 Ų4956.3 Ų56.323%0.22931%0.312CS..Hα-helixtrans-59.8-48.9176.7-175.2176.5-84.200111.3I244 E245 A250 I251 N252 I260 L263I244-Q248 PolarHBondContact O-N 3.38Å; E245-Q248 PolarHBondContact O-N 2.91Å; Q248-A250 VanDerWaalsContact C-N 3.33Å; Q248-A250 PolarHBondContact O-N 2.82Å; Q248-I251 PolarHBondContact O-N 2.86Å; Q248-N252 VanDerWaalsContact O-CG 3.26Å; Q248-N252 PolarHBondContact O-N 2.95Å; Q248-N252 PolarHBondContact O-OD1 3.34Å; Q248-I260 HydrophobicContact CG-CB 4.23Å; Q248-I260 HydrophobicContact CG-CG2 4.22Å; Q248-I260 WeakPolarHBondContact CG-O 3.32Å; Q248-L263 HydrophobicContact CB-CB 4.16Å; Q248-L263 HydrophobicContact CB-CD2 4.1Å; Q248-L263 HydrophobicContact CG-CB 4.37Å
249S98.3Very high96.4Very high69 Ų6955.3 Ų55.348%0.48331%0.307SS..Hα-helixtrans-61.5-41178.8-1710000112.1E245 Q246 N252 S253E245-S249 WeakPolarHBondContact O-CB 3.33Å; E245-S249 PolarHBondContact O-N 2.68Å; Q246-S249 PolarHBondContact O-N 2.78Å; S249-N252 PolarHBondContact O-N 3.48Å; S249-S253 WeakPolarHBondContact O-CB 3.48Å; S249-S253 PolarHBondContact O-N 3.4Å; S249-S253 PolarHBondContact O-OG 2.83Å
250A98.2Very high96.8Very high45 Ų4554.3 Ų54.337%0.37230%0.302SS..Hα-helixtrans-65.4-40.7178.200000111.9V196 Q246 M247 Q248 S253 S254V196-A250 HydrophobicContact CG1-CB 3.84Å; V196-A250 HydrophobicContact CG2-CB 4.31Å; Q246-A250 VanDerWaalsContact O-CB 3.24Å; Q246-A250 WeakPolarHBondContact O-CB 3.47Å; Q246-A250 PolarHBondContact O-N 3.27Å; M247-A250 PolarHBondContact O-N 3.18Å; Q248-A250 VanDerWaalsContact C-N 3.33Å; Q248-A250 PolarHBondContact O-N 2.82Å; A250-S253 PolarHBondContact O-N 2.94Å; A250-S254 WeakPolarHBondContact O-CB 3.23Å; A250-S254 PolarHBondContact O-N 3.47Å; A250-S254 VanDerWaalsContact O-N 3.13Å
251I97.7Very high97Very high0 Ų052.1 Ų52.10%029%0.291CS..Hα-helixtrans-62.9-49.4175.2-64.3158.5000110L193 V196 M247 Q248 S253 S254 I258 I260L193-I251 HydrophobicContact CD2-CD1 3.79Å; L193-I251 HydrophobicContact CG-CD1 4.49Å; V196-I251 HydrophobicContact CB-CD1 4.47Å; V196-I251 HydrophobicContact CB-CG1 3.7Å; V196-I251 HydrophobicContact CG1-CG1 3.99Å; V196-I251 HydrophobicContact CG2-CB 4.47Å; V196-I251 HydrophobicContact CG2-CG1 3.66Å; M247-I251 WeakPolarHBondContact O-CD1 3.36Å; M247-I251 VanDerWaalsContact O-CG1 3.24Å; M247-I251 WeakPolarHBondContact O-CG1 3.32Å; M247-I251 PolarHBondContact O-N 3.46Å; Q248-I251 PolarHBondContact O-N 2.86Å; I251-S253 PolarHBondContact O-N 2.76Å; I251-S254 WeakPolarHBondContact O-CB 3.43Å; I251-S254 PolarHBondContact O-N 2.76Å; I251-S254 PolarHBondContact O-OG 2.71Å; I251-I258 HydrophobicContact CG2-CD1 4.36Å; I251-I260 HydrophobicContact CB-CG1 4.26Å; I251-I260 HydrophobicContact CD1-CG1 4.38Å; I251-I260 HydrophobicContact CG2-CG1 3.57Å
252N98.2Very high97.1Very high38 Ų3852.2 Ų52.220%0.20330%0.295CS..Hα-helixtrans-65-29.2-178-65.4-3.4000112.7Q248 S249 S254 I260Q248-N252 VanDerWaalsContact O-CG 3.26Å; Q248-N252 PolarHBondContact O-N 2.95Å; Q248-N252 PolarHBondContact O-OD1 3.34Å; S249-N252 PolarHBondContact O-N 3.48Å; N252-S254 VanDerWaalsContact C-N 3.34Å; N252-I260 PolarHBondContact ND2-O 3.03Å; N252-I260 PolarHBondContact OD1-N 2.84Å; N252-I260 PolarHBondContact OD1-O 3.45Å
253S97.4Very high97.2Very high96 Ų9647.8 Ų47.867%0.67127%0.272SS*.Hα-helixtrans-82.3-13.7176-530000112.9S249 A250 I251S249-S253 WeakPolarHBondContact O-CB 3.48Å; S249-S253 PolarHBondContact O-N 3.4Å; S249-S253 PolarHBondContact O-OG 2.83Å; A250-S253 PolarHBondContact O-N 2.94Å; I251-S253 PolarHBondContact O-N 2.76Å
254S95.2Very high97.3Very high46 Ų4652 Ų5232%0.32229%0.287SS..SBendtrans-82.8-15.3-175.275.90000114.1A250 I251 N252A250-S254 WeakPolarHBondContact O-CB 3.23Å; A250-S254 PolarHBondContact O-N 3.47Å; A250-S254 VanDerWaalsContact O-N 3.13Å; I251-S254 WeakPolarHBondContact O-CB 3.43Å; I251-S254 PolarHBondContact O-N 2.76Å; I251-S254 PolarHBondContact O-OG 2.71Å; N252-S254 VanDerWaalsContact C-N 3.34Å
255T94.9Very high97.2Very high17 Ų1755.5 Ų55.510%0.10430%0.303CS..  trans-159.2152.4-176.5-178.80000111Y192 D257 I258Y192-T255 HydrophobicContact CD1-CG2 3.92Å; Y192-T255 HydrophobicContact CD2-CG2 3.97Å; Y192-T255 HydrophobicContact CE1-CG2 3.96Å; Y192-T255 HydrophobicContact CE2-CG2 3.96Å; Y192-T255 HydrophobicContact CG-CG2 3.94Å; Y192-T255 PolarHBondContact OH-OG1 3.34Å; T255-D257 WeakPolarHBondContact OG1-CB 3.44Å; T255-D257 PolarHBondContact OG1-N 3.12Å; T255-D257 PolarHBondContact OG1-OD2 3.42Å; T255-I258 HydrophobicContact CG2-CG1 3.69Å
256N95.7Very high97Very high156 Ų15651.3 Ų51.383%0.83429%0.285SS*.SBendtrans-92-1.4169.9-63.6-43.3000112.3
257D96.4Very high96.8Very high47 Ų4750.2 Ų50.225%0.25129%0.285SS..SBendtrans-80.4-27.3-173.6-67.8-37.4000113.3F168 S169 L172 Y192 T255F168-D257 PolarHBondContact N-O 3.18Å; S169-D257 WeakPolarHBondContact CB-OD1 3.23Å; S169-D257 PolarHBondContact N-O 2.84Å; L172-D257 HydrophobicContact CD1-CB 4.43Å; L172-D257 HydrophobicContact CD2-CB 4.13Å; Y192-D257 HydrophobicContact CE2-CB 4.2Å; Y192-D257 PolarHBondContact OH-OD2 3.3Å; T255-D257 WeakPolarHBondContact OG1-CB 3.44Å; T255-D257 PolarHBondContact OG1-N 3.12Å; T255-D257 PolarHBondContact OG1-OD2 3.42Å
258I97.3Very high96.5Very high0 Ų056 Ų560%031%0.31CS..EExtended strand (participates in β ladder)trans-142.5156.5-176.864.4171.4000112.6I166 K167 L172 I189 Y192 I251 T255 I260I166-I258 CarbonylContact O-C 3.59Å; I166-I258 WeakPolarHBondContact O-CA 3.48Å; I166-I258 VanDerWaalsContact O-CB 3.29Å; I166-I258 WeakPolarHBondContact O-CB 3.45Å; K167-I258 HydrophobicContact CB-CG2 4.48Å; L172-I258 HydrophobicContact CD2-CG2 3.31Å; I189-I258 HydrophobicContact CG1-CG2 4.14Å; I189-I258 HydrophobicContact CG2-CD1 4.19Å; Y192-I258 HydrophobicContact CD2-CD1 3.94Å; Y192-I258 HydrophobicContact CD2-CG1 4.27Å; Y192-I258 HydrophobicContact CG-CD1 4.34Å; I251-I258 HydrophobicContact CG2-CD1 4.36Å; T255-I258 HydrophobicContact CG2-CG1 3.69Å; I258-I260 HydrophobicContact CD1-CD1 4.15Å
259N97.9Very high96.2Very high57 Ų5760.6 Ų60.631%0.30533%0.331SS..EExtended strand (participates in β ladder)trans-123.6133.7159.5-85.7-12.4000109.8Y165 I166 F168Y165-N259 CarbonylContact C-O 3.55Å; Y165-N259 WeakPolarHBondContact CA-O 3.17Å; I166-N259 HydrophobicContact CB-CB 4.28Å; I166-N259 PolarHBondContact N-O 2.85Å; I166-N259 PolarHBondContact O-N 3.38Å; F168-N259 HydrophobicContact CE2-CB 3.91Å; F168-N259 HydrophobicContact CZ-CB 4.13Å
260I98.2Very high95.8Very high0 Ų060.2 Ų60.20%032%0.322CS..EExtended strand (participates in β ladder)trans-90.1133.9165.3-54.7-54.8000108.7R164 L193 F227 Q248 I251 N252 I258 L263R164-I260 WeakPolarHBondContact O-CA 3.33Å; L193-I260 HydrophobicContact CD2-CD1 4.43Å; F227-I260 HydrophobicContact CE1-CD1 3.87Å; F227-I260 HydrophobicContact CE1-CG2 4.17Å; F227-I260 HydrophobicContact CZ-CD1 4.08Å; F227-I260 HydrophobicContact CZ-CG2 4.02Å; Q248-I260 HydrophobicContact CG-CB 4.23Å; Q248-I260 HydrophobicContact CG-CG2 4.22Å; Q248-I260 WeakPolarHBondContact CG-O 3.32Å; I251-I260 HydrophobicContact CB-CG1 4.26Å; I251-I260 HydrophobicContact CD1-CG1 4.38Å; I251-I260 HydrophobicContact CG2-CG1 3.57Å; N252-I260 PolarHBondContact ND2-O 3.03Å; N252-I260 PolarHBondContact OD1-N 2.84Å; N252-I260 PolarHBondContact OD1-O 3.45Å; I258-I260 HydrophobicContact CD1-CD1 4.15Å; I260-L263 HydrophobicContact CG2-CB 4.06Å; I260-L263 HydrophobicContact CG2-CD1 4.35Å
261V96.4Very high95.5Very high40 Ų4059.1 Ų59.124%0.24231%0.309CS..EExtended strand (participates in β ladder)trans-130.1155.2174.5-58.90000109.7R164 I166 L263R164-V261 HydrophobicContact CB-CG2 3.78Å; R164-V261 PolarHBondContact N-O 3.39Å; R164-V261 PolarHBondContact O-N 2.9Å; I166-V261 HydrophobicContact CD1-CG1 4.11Å; V261-L263 PolarHBondContact O-N 3.17Å
262D95.8Very high95Very high118 Ų11863.5 Ų63.563%0.63134%0.335SS*.EExtended strand (participates in β ladder)trans50.936.4179.4-56.2-26.4000114.2G163 R264G163-D262 WeakPolarHBondContact CA-O 3.46Å; D262-R264 PolarHBondContact O-N 3.19Å
263L98Very high94.5Very high7 Ų765.4 Ų65.44%0.03735%0.346CS..EExtended strand (participates in β ladder)trans-62.8131.4173.4-170.966.8000109.3L161 A162 F227 I244 M247 Q248 I260 V261L161-L263 HydrophobicContact CB-CD1 4.19Å; A162-L263 CarbonylContact O-C 3.54Å; A162-L263 WeakPolarHBondContact O-CA 3.21Å; F227-L263 HydrophobicContact CZ-CD1 4.22Å; I244-L263 HydrophobicContact CG2-CB 4.12Å; I244-L263 HydrophobicContact CG2-CD2 4.33Å; I244-L263 HydrophobicContact CG2-CG 4.06Å; I244-L263 WeakPolarHBondContact CG2-O 3.49Å; M247-L263 HydrophobicContact CB-CD2 4.15Å; Q248-L263 HydrophobicContact CB-CB 4.16Å; Q248-L263 HydrophobicContact CB-CD2 4.1Å; Q248-L263 HydrophobicContact CG-CB 4.37Å; I260-L263 HydrophobicContact CG2-CB 4.06Å; I260-L263 HydrophobicContact CG2-CD1 4.35Å; V261-L263 PolarHBondContact O-N 3.17Å
264R97.1Very high93.9Very high101 Ų10163.6 Ų63.638%0.38133%0.328SS..EExtended strand (participates in β ladder)trans-154.2154.5177.664.9-176.2-173.9102-4112.1L161 A162 D262 V266 E270L161-R264 CarbonylContact C-O 3.53Å; L161-R264 VanDerWaalsContact CA-O 3.22Å; L161-R264 WeakPolarHBondContact CA-O 3.28Å; A162-R264 PolarHBondContact N-O 3.47Å; A162-R264 PolarHBondContact O-N 3Å; D262-R264 PolarHBondContact O-N 3.19Å; R264-V266 HydrophobicContact CG-CG1 4.08Å; R264-E270 IonicContact CZ-OE1 3.38Å; R264-E270 IonicContact NH1-OE1 2.68Å; R264-E270 PolarHBondContact NH1-OE1 3.43Å; R264-E270 IonicContact NH1-OE2 3.18Å; R264-E270 IonicContact NH2-OE1 2.76Å; R264-E270 PolarHBondContact NH2-OE1 2.76Å
265E95.7Very high92.9Very high80 Ų8066.9 Ų66.937%0.37434%0.336SS..EExtended strand (participates in β ladder)trans-70.6142.1164.9-167.2175.1-154.400109.7L160 L161L160-E265 WeakPolarHBondContact O-CA 3.44Å; L160-E265 WeakPolarHBondContact O-CG 3.25Å; L161-E265 HydrophobicContact CD2-CB 3.96Å; L161-E265 HydrophobicContact CD2-CG 4.25Å
266V95Very high91.8Very high10 Ų1069.9 Ų69.96%0.06136%0.358CS..  trans-129.6151.7-179.9-64.70000111.2L160 A162 R264 E270 F271 L274L160-V266 HydrophobicContact CB-CG2 3.85Å; L160-V266 PolarHBondContact O-N 3.32Å; A162-V266 HydrophobicContact CB-CG1 3.54Å; A162-V266 HydrophobicContact CB-CG2 4.2Å; R264-V266 HydrophobicContact CG-CG1 4.08Å; V266-E270 HydrophobicContact CB-CB 4.01Å; V266-F271 HydrophobicContact CG2-CB 4.05Å; V266-F271 HydrophobicContact CG2-CD2 4.24Å; V266-L274 HydrophobicContact CG1-CD1 4.12Å
267T93.6Very high90.2Very high76 Ų7666.5 Ų66.547%0.46635%0.346SS..  trans-71164.5172.462.20000111.5E269 E270 F271T267-E269 PolarHBondContact O-N 3.12Å; T267-E270 PolarHBondContact N-OE2 2.86Å; T267-E270 PolarHBondContact O-N 3.38Å; T267-E270 WeakPolarHBondContact OG1-CB 3.44Å; T267-E270 VanDerWaalsContact OG1-CG 3.28Å; T267-E270 WeakPolarHBondContact OG1-CG 3.5Å; T267-E270 PolarHBondContact OG1-N 3.48Å; T267-E270 PolarHBondContact OG1-OE2 2.88Å; T267-F271 VanDerWaalsContact O-CB 3.3Å; T267-F271 WeakPolarHBondContact O-CB 3.39Å; T267-F271 PolarHBondContact O-N 3.27Å
268K91.7Very high88.3Confident123 Ų12368.7 Ų68.754%0.53536%0.355SS..Hα-helixtrans-58-38.8173.7-72.6179.8177.9-179.30112.2E157 L160 V272E157-K268 IonicContact OE1-NZ 3.88Å; E157-K268 WeakPolarHBondContact OE2-CE 3.43Å; E157-K268 IonicContact OE2-NZ 3Å; E157-K268 PolarHBondContact OE2-NZ 3.28Å; L160-K268 HydrophobicContact CD1-CB 4.32Å; L160-K268 HydrophobicContact CD1-CG 3.75Å; K268-V272 WeakPolarHBondContact O-CG2 3.39Å; K268-V272 PolarHBondContact O-N 2.94Å; K268-V272 VanDerWaalsContact O-N 3.11Å
269E91.7Very high86.3Confident146 Ų14673.9 Ų73.968%0.68239%0.386SS*.Hα-helixtrans-66.5-50.5178.3-174.7179.8172.100111.1T267 F271 V272 N273T267-E269 PolarHBondContact O-N 3.12Å; E269-F271 VanDerWaalsContact C-N 3.3Å; E269-F271 PolarHBondContact O-N 2.95Å; E269-V272 PolarHBondContact O-N 3.17Å; E269-N273 WeakPolarHBondContact O-CB 3.41Å; E269-N273 VanDerWaalsContact O-CG 3.26Å; E269-N273 PolarHBondContact O-N 3.35Å; E269-N273 PolarHBondContact O-ND2 2.99Å
270E90.7Very high84.8Confident61 Ų6176.1 Ų76.129%0.28540%0.395SS..Hα-helixtrans-58.9-41.3174.9-74.2173.7111.300112.1R264 V266 T267 V272 N273 L274R264-E270 IonicContact CZ-OE1 3.38Å; R264-E270 IonicContact NH1-OE1 2.68Å; R264-E270 PolarHBondContact NH1-OE1 3.43Å; R264-E270 IonicContact NH1-OE2 3.18Å; R264-E270 IonicContact NH2-OE1 2.76Å; R264-E270 PolarHBondContact NH2-OE1 2.76Å; V266-E270 HydrophobicContact CB-CB 4.01Å; T267-E270 PolarHBondContact N-OE2 2.86Å; T267-E270 PolarHBondContact O-N 3.38Å; T267-E270 WeakPolarHBondContact OG1-CB 3.44Å; T267-E270 VanDerWaalsContact OG1-CG 3.28Å; T267-E270 WeakPolarHBondContact OG1-CG 3.5Å; T267-E270 PolarHBondContact OG1-N 3.48Å; T267-E270 PolarHBondContact OG1-OE2 2.88Å; E270-V272 PolarHBondContact O-N 3.49Å; E270-N273 PolarHBondContact O-N 2.9Å; E270-L274 VanDerWaalsContact O-CB 3.28Å; E270-L274 WeakPolarHBondContact O-CB 3.29Å; E270-L274 WeakPolarHBondContact O-CG 3.41Å; E270-L274 PolarHBondContact O-N 3.46Å
271F90.2Very high83.8Confident23 Ų2385 Ų8510%0.10143%0.433CS..Hα-helixtrans-59.5-45.3178-178.3-87.1000111.8L160 V228 Q230 V266 T267 E269 K275L160-F271 HydrophobicContact CB-CB 4.48Å; L160-F271 HydrophobicContact CB-CD2 3.86Å; L160-F271 HydrophobicContact CB-CE2 4.48Å; L160-F271 HydrophobicContact CB-CG 4.41Å; L160-F271 HydrophobicContact CD1-CB 3.81Å; L160-F271 HydrophobicContact CD1-CD2 4.19Å; L160-F271 HydrophobicContact CD1-CG 3.95Å; L160-F271 HydrophobicContact CD2-CD2 3.9Å; L160-F271 HydrophobicContact CD2-CE2 3.9Å; L160-F271 HydrophobicContact CD2-CG 4.28Å; L160-F271 HydrophobicContact CD2-CZ 4.32Å; L160-F271 HydrophobicContact CG-CD2 4.2Å; L160-F271 HydrophobicContact CG-CG 4.44Å; V228-F271 HydrophobicContact CB-CD2 3.69Å; V228-F271 HydrophobicContact CB-CE2 3.47Å; V228-F271 VanDerWaalsContact CB-CE2 3.47Å; V228-F271 HydrophobicContact CB-CZ 4.18Å; V228-F271 HydrophobicContact CG1-CD2 4.16Å; V228-F271 HydrophobicContact CG1-CE2 4.41Å; V228-F271 HydrophobicContact CG2-CD2 4.06Å; V228-F271 HydrophobicContact CG2-CE1 4.35Å; V228-F271 HydrophobicContact CG2-CE2 3.55Å; V228-F271 HydrophobicContact CG2-CZ 3.71Å; Q230-F271 HydrophobicContact CB-CE2 4.3Å; Q230-F271 HydrophobicContact CB-CZ 4.16Å; V266-F271 HydrophobicContact CG2-CB 4.05Å; V266-F271 HydrophobicContact CG2-CD2 4.24Å; T267-F271 VanDerWaalsContact O-CB 3.3Å; T267-F271 WeakPolarHBondContact O-CB 3.39Å; T267-F271 PolarHBondContact O-N 3.27Å; E269-F271 VanDerWaalsContact C-N 3.3Å; E269-F271 PolarHBondContact O-N 2.95Å; F271-K275 HydrophobicContact CE1-CD 4.4Å; F271-K275 VanDerWaalsContact O-CB 3.26Å; F271-K275 WeakPolarHBondContact O-CB 2.82Å; F271-K275 PolarHBondContact O-N 2.71Å
272V88.8Confident83.5Confident92 Ų9286.2 Ų86.256%0.55844%0.441SS*.Hα-helixtrans-64.8-44.5176.5172.30000110.6K268 E269 E270 K275 S276K268-V272 WeakPolarHBondContact O-CG2 3.39Å; K268-V272 PolarHBondContact O-N 2.94Å; K268-V272 VanDerWaalsContact O-N 3.11Å; E269-V272 PolarHBondContact O-N 3.17Å; E270-V272 PolarHBondContact O-N 3.49Å; V272-K275 WeakPolarHBondContact O-CB 3.37Å; V272-K275 PolarHBondContact O-N 2.77Å; V272-S276 PolarHBondContact O-N 3.38Å
273N86.2Confident83.2Confident78 Ų7881.8 Ų81.842%0.41742%0.416SS..Hα-helixtrans-62.5-48.1179-69.6-19.4000111.4E269 E270 K275 S276 C277E269-N273 WeakPolarHBondContact O-CB 3.41Å; E269-N273 VanDerWaalsContact O-CG 3.26Å; E269-N273 PolarHBondContact O-N 3.35Å; E269-N273 PolarHBondContact O-ND2 2.99Å; E270-N273 PolarHBondContact O-N 2.9Å; N273-K275 VanDerWaalsContact C-N 3.29Å; N273-K275 PolarHBondContact O-N 3.4Å; N273-S276 CarbonylContact O-C 3.51Å; N273-S276 WeakPolarHBondContact O-CA 3.1Å; N273-S276 WeakPolarHBondContact O-CB 3.42Å; N273-S276 PolarHBondContact O-N 3.36Å; N273-S276 PolarHBondContact O-OG 3.16Å; N273-C277 PolarHBondContact O-N 3.17Å; N273-C277 PolarHBondContact O-SG 2.86Å
274L84.7Confident83Confident57 Ų5781.8 Ų81.830%0.29842%0.417SS..Hα-helixtrans-63.2-34.7177.6-72.5170.3000112.3A162 V228 V266 E270 S276 C277A162-L274 HydrophobicContact CB-CD1 3.6Å; V228-L274 HydrophobicContact CG1-CB 3.65Å; V228-L274 HydrophobicContact CG1-CD1 4.2Å; V266-L274 HydrophobicContact CG1-CD1 4.12Å; E270-L274 VanDerWaalsContact O-CB 3.28Å; E270-L274 WeakPolarHBondContact O-CB 3.29Å; E270-L274 WeakPolarHBondContact O-CG 3.41Å; E270-L274 PolarHBondContact O-N 3.46Å; L274-S276 VanDerWaalsContact C-N 3.26Å; L274-S276 PolarHBondContact O-N 2.67Å; L274-C277 PolarHBondContact O-N 3.33Å
275K75.6Confident82.9Confident115 Ų11578 Ų7850%0.540%0.403SS..Hα-helixtrans-66-29.8172.4-166.2174.8-176.4178.80112.1V228 F271 V272 N273V228-K275 HydrophobicContact CG2-CB 4.48Å; F271-K275 HydrophobicContact CE1-CD 4.4Å; F271-K275 VanDerWaalsContact O-CB 3.26Å; F271-K275 WeakPolarHBondContact O-CB 2.82Å; F271-K275 PolarHBondContact O-N 2.71Å; V272-K275 WeakPolarHBondContact O-CB 3.37Å; V272-K275 PolarHBondContact O-N 2.77Å; N273-K275 VanDerWaalsContact C-N 3.29Å; N273-K275 PolarHBondContact O-N 3.4Å
276S71Confident83Confident80 Ų8075.1 Ų75.156%0.55939%0.39SS*.Hα-helixtrans-86.7-22.9177.776.40000114.5V272 N273 L274 E278V272-S276 PolarHBondContact O-N 3.38Å; N273-S276 CarbonylContact O-C 3.51Å; N273-S276 WeakPolarHBondContact O-CA 3.1Å; N273-S276 WeakPolarHBondContact O-CB 3.42Å; N273-S276 PolarHBondContact O-N 3.36Å; N273-S276 PolarHBondContact O-OG 3.16Å; L274-S276 VanDerWaalsContact C-N 3.26Å; L274-S276 PolarHBondContact O-N 2.67Å; S276-E278 PolarHBondContact O-N 3.49Å
277C61.9Low83.1Confident85 Ų8574.7 Ų74.757%0.57439%0.387SS*.  trans-71.528.5176.3-700000113.6N273 L274 T279N273-C277 PolarHBondContact O-N 3.17Å; N273-C277 PolarHBondContact O-SG 2.86Å; L274-C277 PolarHBondContact O-N 3.33Å; C277-T279 PolarHBondContact O-N 2.68Å
278E56.7Low83.3Confident94 Ų9472.6 Ų72.644%0.43937%0.373SS..  trans-66.8-12.2-170.6-148.4176.5-176.900113.7G212 S276G212-E278 PolarHBondContact N-OE1 2.94Å; S276-E278 PolarHBondContact O-N 3.49Å
279T56Low83.6Confident108 Ų10866.8 Ų66.866%0.66335%0.348SS*.  trans-126.984.3-17157.90000111.8C277 K281C277-T279 PolarHBondContact O-N 2.68Å; T279-K281 PolarHBondContact O-N 2.95Å
280E65Low83.9Confident105 Ų10566.1 Ų66.149%0.49134%0.339SS..  trans-48.9130.5151-70.1173.6173.500107.8R164 T282 A354R164-E280 IonicContact NH2-OE1 3.76Å; E280-T282 PolarHBondContact O-N 2.93Å; E280-A354 WeakPolarHBondContact O-CB 3.21Å
281K77.7Confident84.2Confident186 Ų18663.5 Ų63.581%0.80933%0.328SS*.SBendtrans-61.2-34.1-176.6-72.7-174.1178.6-179.10111.7T279 E353 A354T279-K281 PolarHBondContact O-N 2.95Å; K281-E353 WeakPolarHBondContact O-CA 3.41Å; K281-A354 PolarHBondContact O-N 3.02Å
282T89.5Confident84.6Confident65 Ų6566.5 Ų66.540%0.39936%0.357SS..EExtended strand (participates in β ladder)trans-126.4153179.857.10000111E280 E333 T352E280-T282 PolarHBondContact O-N 2.93Å; T282-E333 HydrophobicContact CG2-CG 4.18Å; T282-T352 CarbonylContact C-O 3.52Å; T282-T352 WeakPolarHBondContact CA-O 3.42Å; T282-T352 WeakPolarHBondContact CB-O 3.47Å
283K90.8Very high85Confident26 Ų2662.9 Ų62.911%0.11334%0.338CS..EExtended strand (participates in β ladder)trans-133.7144.1175.2-69.2-171.7173.4-176.60109.9Y285 T351 T352 A354K283-Y285 HydrophobicContact CB-CE2 3.58Å; K283-Y285 WeakPolarHBondContact CB-OH 3.37Å; K283-Y285 WeakPolarHBondContact CD-OH 3.33Å; K283-T351 CarbonylContact O-C 3.55Å; K283-T351 WeakPolarHBondContact O-CA 3.44Å; K283-T352 PolarHBondContact N-O 3.3Å; K283-T352 PolarHBondContact O-N 3.23Å; K283-A354 HydrophobicContact CD-CB 4.48Å; K283-A354 HydrophobicContact CG-CB 4.49Å
284T93.8Very high85.5Confident7 Ų762.4 Ų62.44%0.04334%0.339CS..EExtended strand (participates in β ladder)trans-112.4138177.7-57.60000110.1L349 I350 T351 Q389 I394T284-L349 HydrophobicContact CG2-CD1 3.44Å; T284-L349 VanDerWaalsContact CG2-CD1 3.44Å; T284-L349 HydrophobicContact CG2-CG 4.39Å; T284-I350 CarbonylContact C-O 3.55Å; T284-I350 VanDerWaalsContact CA-O 3.27Å; T284-I350 WeakPolarHBondContact CA-O 3.5Å; T284-T351 PolarHBondContact OG1-OG1 3.42Å; T284-Q389 HydrophobicContact CG2-CB 4.49Å; T284-Q389 PolarHBondContact O-N 3.49Å; T284-I394 HydrophobicContact CG2-CD1 4.13Å
285Y95.6Very high86Confident22 Ų2259.8 Ų59.89%0.08633%0.325CS..EExtended strand (participates in β ladder)trans-132147.1-179.2-51-95.9000110.6K283 L349 I350 I358 L386 D387 V388K283-Y285 HydrophobicContact CB-CE2 3.58Å; K283-Y285 WeakPolarHBondContact CB-OH 3.37Å; K283-Y285 WeakPolarHBondContact CD-OH 3.33Å; Y285-L349 CarbonylContact O-C 3.59Å; Y285-L349 WeakPolarHBondContact O-CA 3.41Å; Y285-I350 HydrophobicContact CD2-CG2 4.23Å; Y285-I350 PolarHBondContact N-O 2.84Å; Y285-I350 PolarHBondContact O-N 3.11Å; Y285-I358 HydrophobicContact CD1-CG1 4.19Å; Y285-I358 HydrophobicContact CD2-CD1 3.7Å; Y285-I358 HydrophobicContact CD2-CG1 3.71Å; Y285-I358 HydrophobicContact CE1-CG1 4.17Å; Y285-I358 HydrophobicContact CE2-CD1 3.68Å; Y285-I358 HydrophobicContact CE2-CG1 3.7Å; Y285-I358 HydrophobicContact CG-CD1 4.4Å; Y285-I358 HydrophobicContact CG-CG1 3.96Å; Y285-L386 HydrophobicContact CD1-CD1 4.04Å; Y285-L386 HydrophobicContact CD1-CD2 4.36Å; Y285-L386 HydrophobicContact CD1-CG 4.31Å; Y285-L386 HydrophobicContact CG-CD1 4.19Å; Y285-D387 CarbonylContact C-O 3.54Å; Y285-D387 WeakPolarHBondContact CA-O 3.23Å; Y285-V388 HydrophobicContact CD1-CG2 3.88Å; Y285-V388 HydrophobicContact CE1-CG2 3.77Å
286V96.6Very high86.9Confident19 Ų1959.8 Ų59.812%0.11533%0.327CS..EExtended strand (participates in β ladder)trans-110.2126.1162.81760000107F347 I348 L349 D387 Q389V286-F347 HydrophobicContact CG1-CD1 4.33Å; V286-I348 CarbonylContact C-O 3.55Å; V286-I348 VanDerWaalsContact CA-O 3.29Å; V286-I348 WeakPolarHBondContact CA-O 3.38Å; V286-L349 HydrophobicContact CG2-CB 4.49Å; V286-L349 HydrophobicContact CG2-CD1 3.61Å; V286-D387 PolarHBondContact N-O 3.34Å; V286-D387 PolarHBondContact O-N 3.32Å; V286-Q389 HydrophobicContact CB-CG 4.48Å; V286-Q389 HydrophobicContact CG2-CG 3.86Å
287A97.1Very high87.9Confident0 Ų060.2 Ų60.20%033%0.327CS..EExtended strand (participates in β ladder)trans-122.1139.9175.100000110.8F347 I348 L383 E385 L386A287-F347 CarbonylContact O-C 3.6Å; A287-F347 VanDerWaalsContact O-CA 3.26Å; A287-F347 WeakPolarHBondContact O-CA 2.87Å; A287-I348 HydrophobicContact CB-CD1 4.08Å; A287-I348 HydrophobicContact CB-CG1 3.67Å; A287-I348 PolarHBondContact N-O 3.47Å; A287-I348 PolarHBondContact O-N 2.87Å; A287-L383 HydrophobicContact CB-CD1 3.78Å; A287-L383 HydrophobicContact CB-CG 4.24Å; A287-E385 CarbonylContact C-O 3.48Å; A287-E385 WeakPolarHBondContact CA-O 2.97Å; A287-L386 HydrophobicContact CB-CD1 3.81Å
288L97.6Very high89.5Confident33 Ų3362.1 Ų62.117%0.17333%0.327CS..EExtended strand (participates in β ladder)trans-90.6120.7162.7174.861.1000107.5D345 F347 V384 E385L288-D345 HydrophobicContact CD1-CB 4.3Å; L288-F347 HydrophobicContact CB-CD1 4.21Å; L288-F347 HydrophobicContact CB-CE1 3.95Å; L288-F347 HydrophobicContact CD1-CD1 4.25Å; L288-F347 HydrophobicContact CD1-CE1 3.88Å; L288-F347 HydrophobicContact CD1-CE2 4.23Å; L288-F347 HydrophobicContact CD1-CZ 3.88Å; L288-F347 HydrophobicContact CG-CE1 4.4Å; L288-V384 HydrophobicContact CB-CB 4.4Å; L288-V384 HydrophobicContact CD2-CB 4.11Å; L288-V384 HydrophobicContact CD2-CG1 4.1Å; L288-V384 HydrophobicContact CG-CB 4.03Å; L288-V384 HydrophobicContact CG-CG2 4.4Å; L288-V384 PolarHBondContact O-N 3.09Å; L288-E385 HydrophobicContact CB-CB 4.13Å; L288-E385 PolarHBondContact N-O 2.99Å; L288-E385 PolarHBondContact O-N 3.23Å
289C98.1Very high91.3Very high0 Ų059.9 Ų59.90%032%0.317CS..EExtended strand (participates in β ladder)trans-111.8145.2179.4-60.80000109.5D345 F346 V381 D382C289-D345 WeakPolarHBondContact O-CA 3.47Å; C289-F346 HydrophobicContact CB-CD1 4.15Å; C289-F346 HydrophobicContact CB-CD2 4.08Å; C289-F346 HydrophobicContact CB-CE1 3.74Å; C289-F346 HydrophobicContact CB-CE2 3.68Å; C289-F346 HydrophobicContact CB-CG 4.31Å; C289-F346 HydrophobicContact CB-CZ 3.5Å; C289-F346 PolarHBondContact N-O 2.94Å; C289-F346 PolarHBondContact O-N 3Å; C289-V381 HydrophobicContact CB-CG1 3.88Å; C289-D382 WeakPolarHBondContact CA-O 3.38Å
290R98.2Very high93.1Very high133 Ų13355 Ų5550%0.50229%0.287SS..EExtended strand (participates in β ladder)trans-123.3122.4173.1175.6163.9-72.6-177.9-3.9109.7C344 D345 V381 D382 V384R290-C344 WeakPolarHBondContact CA-O 3.32Å; R290-D345 WeakPolarHBondContact CB-OD1 3.37Å; R290-D345 IonicContact CZ-OD1 3.94Å; R290-D345 IonicContact CZ-OD2 3.63Å; R290-D345 IonicContact NE-OD1 3.88Å; R290-D345 PolarHBondContact NE-OD1 3.05Å; R290-D345 IonicContact NE-OD2 3.75Å; R290-D345 IonicContact NH2-OD1 3.23Å; R290-D345 PolarHBondContact NH2-OD1 2.99Å; R290-D345 IonicContact NH2-OD2 2.69Å; R290-D345 PolarHBondContact NH2-OD2 3.47Å; R290-V381 WeakPolarHBondContact O-CA 3.38Å; R290-D382 PolarHBondContact N-O 2.9Å; R290-D382 PolarHBondContact O-N 3.36Å; R290-V384 HydrophobicContact CB-CG2 3.62Å
291A98.1Very high94.5Very high6 Ų653.1 Ų53.15%0.0529%0.285CS..EExtended strand (participates in β ladder)trans-88.2158172.400000111.3G293 V295 C344 F346 I379 A380 V381A291-G293 VanDerWaalsContact CB-O 3.24Å; A291-G293 WeakPolarHBondContact CB-O 3.24Å; A291-G293 PolarHBondContact O-N 3.22Å; A291-V295 HydrophobicContact CB-CG2 3.51Å; A291-C344 PolarHBondContact N-O 2.72Å; A291-F346 HydrophobicContact CB-CE1 4.29Å; A291-I379 HydrophobicContact CB-CG2 4.15Å; A291-A380 CarbonylContact C-O 3.54Å; A291-A380 VanDerWaalsContact CA-O 3.31Å; A291-A380 WeakPolarHBondContact CA-O 3.31Å; A291-V381 HydrophobicContact CB-CG2 4.15Å
292A97.5Very high95.2Very high86 Ų8649 Ų4971%0.71127%0.267SS*.SBendtrans-73.4-5.2173.600000113.8I379 A380A292-I379 HydrophobicContact CB-CG2 4.1Å; A292-A380 HydrophobicContact CB-CB 3.95Å; A292-A380 PolarHBondContact N-O 2.68Å
293G96.8Very high95.4Very high15 Ų1546 Ų4616%0.15525%0.248CC..SBendtrans-156.5174176.100000110.8A291A291-G293 VanDerWaalsContact CB-O 3.24Å; A291-G293 WeakPolarHBondContact CB-O 3.24Å; A291-G293 PolarHBondContact O-N 3.22Å
294P96.6Very high95.5Very high68 Ų6847.5 Ų47.544%0.44226%0.257SS..  trans-61.2140.9-178.726.4-34.4000111.2L343P294-L343 WeakPolarHBondContact CA-O 3.44Å; P294-L343 HydrophobicContact CB-CB 3.9Å
295V95.8Very high95.4Very high2 Ų251.4 Ų51.41%0.01229%0.285CS..  trans-109.8120.1176.4-175.50000108.7A291 Q299 L300 H339 L343 F346 L377A291-V295 HydrophobicContact CB-CG2 3.51Å; V295-Q299 HydrophobicContact CG1-CB 3.97Å; V295-L300 HydrophobicContact CG1-CD2 3.61Å; V295-L300 HydrophobicContact CG1-CG 3.98Å; V295-H339 PolarHBondContact O-NE2 2.88Å; V295-L343 PolarHBondContact N-O 3Å; V295-F346 HydrophobicContact CB-CD1 4.47Å; V295-F346 HydrophobicContact CG2-CD1 4.02Å; V295-F346 HydrophobicContact CG2-CE1 4.01Å; V295-L377 HydrophobicContact CG1-CD1 4.23Å; V295-L377 HydrophobicContact CG1-CD2 4.32Å; V295-L377 HydrophobicContact CG2-CD1 4.43Å
296E94.3Very high95.2Very high116 Ų11652.5 Ų52.554%0.54229%0.292SS..  trans-77.5154-177.1-63-59.815100112.3E298 Q299 L300E296-E298 PolarHBondContact O-N 2.81Å; E296-Q299 HydrophobicContact CB-CG 4.36Å; E296-Q299 WeakPolarHBondContact O-CB 3.26Å; E296-Q299 PolarHBondContact O-N 3.48Å; E296-L300 PolarHBondContact O-N 2.76Å; E296-L300 VanDerWaalsContact O-N 3.11Å
297T93.3Very high95Very high89 Ų8952.6 Ų52.655%0.54630%0.295SS..Hα-helixtrans-56.3-34.4177.1-51.30000112.7L300 S301 H339T297-L300 PolarHBondContact O-N 2.89Å; T297-S301 WeakPolarHBondContact O-CB 3.48Å; T297-S301 PolarHBondContact O-N 2.81Å; T297-S301 PolarHBondContact O-OG 2.99Å; T297-H339 PolarHBondContact OG1-CE1 2.85Å; T297-H339 VanDerWaalsContact OG1-CE1 3.3Å
298E94Very high95Very high124 Ų12456.7 Ų56.758%0.57932%0.321SS*.Hα-helixtrans-65.7-39.4175.8-166.7-170.9156.300111.6E296 S301 K302E296-E298 PolarHBondContact O-N 2.81Å; E298-S301 PolarHBondContact O-N 2.89Å; E298-K302 VanDerWaalsContact O-CG 3.32Å; E298-K302 WeakPolarHBondContact O-CG 3.27Å; E298-K302 PolarHBondContact O-N 3.14Å; E298-K302 WeakPolarHBondContact OE1-CE 3.4Å; E298-K302 IonicContact OE1-NZ 3.69Å; E298-K302 PolarHBondContact OE1-NZ 3.41Å
299Q94.1Very high94.9Very high47 Ų4756.6 Ų56.622%0.2232%0.321CS..Hα-helixtrans-65.9-42.7176.9-66.7175.1-74.700111.1V295 E296 S301 K302 L303 L377V295-Q299 HydrophobicContact CG1-CB 3.97Å; E296-Q299 HydrophobicContact CB-CG 4.36Å; E296-Q299 WeakPolarHBondContact O-CB 3.26Å; E296-Q299 PolarHBondContact O-N 3.48Å; Q299-S301 VanDerWaalsContact C-N 3.34Å; Q299-S301 PolarHBondContact O-N 2.95Å; Q299-K302 PolarHBondContact O-N 3.27Å; Q299-L303 WeakPolarHBondContact O-CB 3.36Å; Q299-L303 PolarHBondContact O-N 3.36Å; Q299-L377 HydrophobicContact CB-CD2 3.83Å; Q299-L377 PolarHBondContact NE2-O 2.94Å
300L94.4Very high94.9Very high6 Ų661.2 Ų61.23%0.03135%0.345CS..Hα-helixtrans-62.9-40.1174-62.9-174.1000111.8V295 E296 T297 K302 L303 I304 A337 F346V295-L300 HydrophobicContact CG1-CD2 3.61Å; V295-L300 HydrophobicContact CG1-CG 3.98Å; E296-L300 PolarHBondContact O-N 2.76Å; E296-L300 VanDerWaalsContact O-N 3.11Å; T297-L300 PolarHBondContact O-N 2.89Å; L300-K302 VanDerWaalsContact C-N 3.35Å; L300-K302 PolarHBondContact O-N 3.03Å; L300-L303 WeakPolarHBondContact O-CB 3.27Å; L300-L303 PolarHBondContact O-N 3.39Å; L300-I304 WeakPolarHBondContact O-CG1 3.49Å; L300-I304 PolarHBondContact O-N 3.45Å; L300-A337 HydrophobicContact CB-CB 4.3Å; L300-A337 HydrophobicContact CD2-CB 4.19Å; L300-F346 HydrophobicContact CD1-CB 4.3Å; L300-F346 HydrophobicContact CD2-CB 4.03Å; L300-F346 HydrophobicContact CD2-CD2 3.78Å; L300-F346 HydrophobicContact CD2-CE2 4.37Å; L300-F346 HydrophobicContact CD2-CG 3.9Å
301S94Very high94.9Very high66 Ų6654.9 Ų54.946%0.46232%0.321SS..Hα-helixtrans-63.5-41.3176.7-59.30000111.8T297 E298 Q299 I304 S305T297-S301 WeakPolarHBondContact O-CB 3.48Å; T297-S301 PolarHBondContact O-N 2.81Å; T297-S301 PolarHBondContact O-OG 2.99Å; E298-S301 PolarHBondContact O-N 2.89Å; Q299-S301 VanDerWaalsContact C-N 3.34Å; Q299-S301 PolarHBondContact O-N 2.95Å; S301-I304 WeakPolarHBondContact O-CB 3.42Å; S301-I304 PolarHBondContact O-N 3.4Å; S301-S305 PolarHBondContact O-N 2.91Å
302K92.8Very high94.9Very high100 Ų10058.6 Ų58.644%0.43534%0.338SS..Hα-helixtrans-65.7-38.4173.7-69.3174.2-178.8165.40111.5E298 Q299 L300 I304 S305 L306 F376E298-K302 VanDerWaalsContact O-CG 3.32Å; E298-K302 WeakPolarHBondContact O-CG 3.27Å; E298-K302 PolarHBondContact O-N 3.14Å; E298-K302 WeakPolarHBondContact OE1-CE 3.4Å; E298-K302 IonicContact OE1-NZ 3.69Å; E298-K302 PolarHBondContact OE1-NZ 3.41Å; Q299-K302 PolarHBondContact O-N 3.27Å; L300-K302 VanDerWaalsContact C-N 3.35Å; L300-K302 PolarHBondContact O-N 3.03Å; K302-I304 VanDerWaalsContact C-N 3.31Å; K302-I304 PolarHBondContact O-N 2.73Å; K302-S305 PolarHBondContact O-N 3.46Å; K302-S305 VanDerWaalsContact O-N 3.1Å; K302-S305 PolarHBondContact O-OG 3.28Å; K302-L306 PolarHBondContact O-N 3.02Å; K302-F376 HydrophobicContact CB-CE1 4.18Å; K302-F376 HydrophobicContact CB-CZ 3.73Å
303L93.4Very high94.9Very high0 Ų054.6 Ų54.60%030%0.304CS..Hα-helixtrans-59.4-41.5176.1-177.471000111.8Q299 L300 S305 L306 I335 A337 F346 I348 I373 F376Q299-L303 WeakPolarHBondContact O-CB 3.36Å; Q299-L303 PolarHBondContact O-N 3.36Å; L300-L303 WeakPolarHBondContact O-CB 3.27Å; L300-L303 PolarHBondContact O-N 3.39Å; L303-S305 VanDerWaalsContact C-N 3.28Å; L303-S305 PolarHBondContact O-N 3.07Å; L303-L306 HydrophobicContact CD1-CD1 3.82Å; L303-L306 WeakPolarHBondContact O-CB 3.48Å; L303-L306 PolarHBondContact O-N 3.42Å; L303-I335 HydrophobicContact CG-CG2 4.25Å; L303-A337 HydrophobicContact CD2-CB 3.97Å; L303-F346 HydrophobicContact CD2-CE2 4.23Å; L303-I348 HydrophobicContact CD2-CG2 4.03Å; L303-I373 HydrophobicContact CD1-CB 4.44Å; L303-I373 HydrophobicContact CD1-CD1 4.3Å; L303-I373 HydrophobicContact CD1-CG1 4.04Å; L303-I373 HydrophobicContact CD1-CG2 4Å; L303-I373 HydrophobicContact CD2-CD1 4.46Å; L303-I373 HydrophobicContact CD2-CG2 4.33Å; L303-F376 VanDerWaalsContact CA-CE1 3.49Å; L303-F376 HydrophobicContact CB-CD1 4.39Å; L303-F376 HydrophobicContact CB-CE1 3.88Å; L303-F376 HydrophobicContact CD1-CD1 3.78Å; L303-F376 HydrophobicContact CD1-CE1 4.08Å
304I93Very high95Very high59 Ų5958.2 Ų58.230%0.30332%0.316SS..Hα-helixtrans-59.6-41.2175.3-66.2170.7000110.9L300 S301 K302 L306 A307 I335 A337L300-I304 WeakPolarHBondContact O-CG1 3.49Å; L300-I304 PolarHBondContact O-N 3.45Å; S301-I304 WeakPolarHBondContact O-CB 3.42Å; S301-I304 PolarHBondContact O-N 3.4Å; K302-I304 VanDerWaalsContact C-N 3.31Å; K302-I304 PolarHBondContact O-N 2.73Å; I304-L306 PolarHBondContact O-N 3.16Å; I304-A307 PolarHBondContact O-N 2.77Å; I304-I335 WeakPolarHBondContact CG2-O 3.01Å; I304-A337 HydrophobicContact CG1-CB 4.16Å
305S92.9Very high94.9Very high89 Ų8955 Ų5562%0.62230%0.295SS*.THydrogen-bonded Turntrans-70-9.5-178.475.30000114.8S301 K302 L303 A307S301-S305 PolarHBondContact O-N 2.91Å; K302-S305 PolarHBondContact O-N 3.46Å; K302-S305 VanDerWaalsContact O-N 3.1Å; K302-S305 PolarHBondContact O-OG 3.28Å; L303-S305 VanDerWaalsContact C-N 3.28Å; L303-S305 PolarHBondContact O-N 3.07Å; S305-A307 VanDerWaalsContact C-N 3.33Å; S305-A307 PolarHBondContact O-N 3Å
306L90.7Very high95Very high44 Ų4454.9 Ų54.923%0.2329%0.294CS..THydrogen-bonded Turntrans-67.4-31.8176.8-73.3-177.1000113.3K302 L303 I304 P308 M309 I335 F376K302-L306 PolarHBondContact O-N 3.02Å; L303-L306 HydrophobicContact CD1-CD1 3.82Å; L303-L306 WeakPolarHBondContact O-CB 3.48Å; L303-L306 PolarHBondContact O-N 3.42Å; I304-L306 PolarHBondContact O-N 3.16Å; L306-P308 CarbonylContact O-C 3.54Å; L306-M309 HydrophobicContact CB-SD 3.85Å; L306-M309 HydrophobicContact CD1-SD 4.3Å; L306-M309 WeakPolarHBondContact O-CB 3.26Å; L306-I335 HydrophobicContact CB-CD1 4.26Å; L306-F376 HydrophobicContact CD1-CB 4.37Å; L306-F376 HydrophobicContact CD1-CD1 3.95Å; L306-F376 HydrophobicContact CD1-CD2 3.73Å; L306-F376 HydrophobicContact CD1-CE1 4.11Å; L306-F376 HydrophobicContact CD1-CE2 3.9Å; L306-F376 HydrophobicContact CD1-CG 3.73Å; L306-F376 HydrophobicContact CD1-CZ 4.04Å; L306-F376 HydrophobicContact CD2-CD2 3.76Å; L306-F376 HydrophobicContact CD2-CE2 3.41Å; L306-F376 VanDerWaalsContact CD2-CE2 3.41Å; L306-F376 HydrophobicContact CD2-CZ 3.99Å; L306-F376 HydrophobicContact CG-CD2 4.12Å; L306-F376 HydrophobicContact CG-CE1 4.38Å; L306-F376 HydrophobicContact CG-CE2 3.79Å; L306-F376 HydrophobicContact CG-CZ 3.89Å
307A93.1Very high95.1Very high22 Ų2252.6 Ų52.618%0.18229%0.288CS..  trans-89141-176.900000111.4I304 S305 I332 I335I304-A307 PolarHBondContact O-N 2.77Å; S305-A307 VanDerWaalsContact C-N 3.33Å; S305-A307 PolarHBondContact O-N 3Å; A307-I332 HydrophobicContact CB-CG2 4.34Å; A307-I335 HydrophobicContact CB-CB 4.22Å; A307-I335 HydrophobicContact CB-CD1 4.11Å; A307-I335 HydrophobicContact CB-CG1 3.94Å
308P96.4Very high95.2Very high85 Ų8552.6 Ų52.655%0.55228%0.278SS*.SBendcis-81.1142.53.932.2-35000113.4L306 I332L306-P308 CarbonylContact O-C 3.54Å; P308-I332 VanDerWaalsContact CA-O 3.28Å; P308-I332 WeakPolarHBondContact CA-O 3.46Å
309M96.3Very high95.1Very high32 Ų3247 Ų4716%0.15825%0.252CS..EExtended strand (participates in β ladder)trans-147.6161.6177.961.2177.3-56.600112.7L306 I311 I332 F361 P371L306-M309 HydrophobicContact CB-SD 3.85Å; L306-M309 HydrophobicContact CD1-SD 4.3Å; L306-M309 WeakPolarHBondContact O-CB 3.26Å; M309-I311 HydrophobicContact CE-CG2 3.82Å; M309-I311 HydrophobicContact SD-CG2 4.46Å; M309-I332 HydrophobicContact CG-CB 3.88Å; M309-I332 HydrophobicContact CG-CG1 4.13Å; M309-I332 PolarHBondContact N-O 2.79Å; M309-I332 PolarHBondContact O-N 3.02Å; M309-F361 HydrophobicContact SD-CZ 4.45Å; M309-P371 HydrophobicContact CE-CB 3.84Å; M309-P371 HydrophobicContact CE-CG 3.48Å; M309-P371 VanDerWaalsContact CE-CG 3.48Å
310N97.7Very high95Very high97 Ų9747.9 Ų47.952%0.51926%0.258SS..EExtended strand (participates in β ladder)trans-101144.2168.2-66.8-29.3000110.3R330N310-R330 CarbonylContact C-O 3.24Å; N310-R330 WeakPolarHBondContact CA-O 3.34Å
311I97.8Very high94.8Very high0 Ų054.4 Ų54.40%029%0.288CS..EExtended strand (participates in β ladder)trans-124.7150.3173.166.4168.9000109.5M309 Q313 S329 R330 I332 T356 F361 T369M309-I311 HydrophobicContact CE-CG2 3.82Å; M309-I311 HydrophobicContact SD-CG2 4.46Å; I311-Q313 VanDerWaalsContact CD1-CD 3.47Å; I311-Q313 HydrophobicContact CD1-CG 3.59Å; I311-Q313 HydrophobicContact CG1-CG 3.95Å; I311-S329 CarbonylContact O-C 3.54Å; I311-S329 WeakPolarHBondContact O-CA 3.37Å; I311-R330 HydrophobicContact CD1-CB 4.37Å; I311-R330 HydrophobicContact CG1-CB 3.85Å; I311-R330 WeakPolarHBondContact CG1-O 3.46Å; I311-R330 PolarHBondContact N-O 3Å; I311-R330 PolarHBondContact O-N 2.89Å; I311-I332 HydrophobicContact CD1-CD1 4.01Å; I311-I332 HydrophobicContact CD1-CG1 4.44Å; I311-I332 HydrophobicContact CG1-CD1 4.47Å; I311-I332 HydrophobicContact CG2-CG1 3.99Å; I311-T356 HydrophobicContact CD1-CG2 3.99Å; I311-F361 HydrophobicContact CD1-CB 4.19Å; I311-F361 HydrophobicContact CD1-CD2 3.7Å; I311-F361 HydrophobicContact CD1-CE2 4.46Å; I311-F361 HydrophobicContact CD1-CG 4.15Å; I311-F361 HydrophobicContact CG2-CD2 3.92Å; I311-F361 HydrophobicContact CG2-CE2 3.69Å; I311-T369 HydrophobicContact CD1-CG2 4.19Å
312E98.3Very high94.6Very high84 Ų8458 Ų5839%0.39329%0.292SS..EExtended strand (participates in β ladder)trans-106.5114.7173.6-66.9-56.414100109.6T327 S329 T369 L370E312-T327 HydrophobicContact CB-CG2 4.14Å; E312-S329 WeakPolarHBondContact OE1-CA 3.46Å; E312-S329 WeakPolarHBondContact OE1-CB 3.19Å; E312-S329 PolarHBondContact OE1-OG 3Å; E312-S329 PolarHBondContact OE2-N 2.89Å; E312-T369 WeakPolarHBondContact O-CA 3.47Å; E312-L370 PolarHBondContact N-O 2.87Å; E312-L370 PolarHBondContact O-N 3.42Å
313Q97.9Very high94.4Very high1 Ų159.6 Ų59.61%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-113.1116.1-179.5-55-161.3-74.300110.8I311 T327 R328 Y357 T369I311-Q313 VanDerWaalsContact CD1-CD 3.47Å; I311-Q313 HydrophobicContact CD1-CG 3.59Å; I311-Q313 HydrophobicContact CG1-CG 3.95Å; Q313-T327 CarbonylContact O-C 3.5Å; Q313-T327 WeakPolarHBondContact O-CA 3.38Å; Q313-R328 PolarHBondContact N-O 3.37Å; Q313-R328 PolarHBondContact O-N 3.47Å; Q313-Y357 HydrophobicContact CB-CD2 4.38Å; Q313-Y357 PolarHBondContact NE2-O 3.17Å; Q313-T369 HydrophobicContact CG-CG2 3.85Å; Q313-T369 PolarHBondContact NE2-OG1 2.83Å
314K97.7Very high94.4Very high91 Ų9165.3 Ų65.340%0.39633%0.33SS..EExtended strand (participates in β ladder)trans-69.4149.5161.1-64173.4-176.2169.10108.7P316 A326 T327 R368K314-P316 WeakPolarHBondContact O-CD 3.3Å; K314-P316 VanDerWaalsContact O-N 3.11Å; K314-A326 CarbonylContact C-O 3.55Å; K314-A326 WeakPolarHBondContact CA-O 3.43Å; K314-T327 HydrophobicContact CG-CG2 4.37Å; K314-R368 HydrophobicContact CB-CB 4.09Å; K314-R368 HydrophobicContact CD-CB 4.4Å; K314-R368 HydrophobicContact CD-CG 4.39Å; K314-R368 PolarHBondContact N-O 2.86Å
315T96.3Very high94.5Very high0 Ų067.9 Ų67.90%034%0.344CS..PPolyproline II helixtrans-48.5120.1173.2-61.70000110V319 L320 R323 T324 A326 R328 R368T315-V319 HydrophobicContact CG2-CG2 3.86Å; T315-L320 HydrophobicContact CG2-CD2 3.8Å; T315-R323 HydrophobicContact CG2-CB 3.55Å; T315-T324 PolarHBondContact OG1-O 2.92Å; T315-A326 PolarHBondContact N-O 3.44Å; T315-A326 PolarHBondContact OG1-N 3.45Å; T315-A326 VanDerWaalsContact OG1-N 3.14Å; T315-A326 PolarHBondContact OG1-O 3.03Å; T315-R328 PolarHBondContact OG1-NH1 3.47Å; T315-R368 PolarHBondContact O-NH2 3.32Å
316P97.4Very high94.6Very high0 Ų065.4 Ų65.40%033%0.328CS..PPolyproline II helixtrans-60.8147.3-171.1-30.335.3000114.6K314 R318 V319 L320 Y357 E360 D365K314-P316 WeakPolarHBondContact O-CD 3.3Å; K314-P316 VanDerWaalsContact O-N 3.11Å; P316-R318 VanDerWaalsContact C-N 3.26Å; P316-R318 HydrophobicContact CB-CG 4.15Å; P316-R318 PolarHBondContact O-N 3.15Å; P316-V319 HydrophobicContact CB-CG2 4.07Å; P316-V319 HydrophobicContact CG-CG2 4.27Å; P316-V319 WeakPolarHBondContact O-CG2 3.42Å; P316-V319 PolarHBondContact O-N 2.83Å; P316-L320 WeakPolarHBondContact O-CG 3.37Å; P316-L320 PolarHBondContact O-N 3.01Å; P316-Y357 VanDerWaalsContact CD-CD2 3.46Å; P316-Y357 HydrophobicContact CG-CD1 3.63Å; P316-Y357 HydrophobicContact CG-CD2 3.56Å; P316-Y357 HydrophobicContact CG-CE1 3.96Å; P316-Y357 HydrophobicContact CG-CE2 3.9Å; P316-Y357 HydrophobicContact CG-CG 3.41Å; P316-Y357 VanDerWaalsContact CG-CG 3.41Å; P316-E360 HydrophobicContact CB-CG 3.65Å; P316-E360 VanDerWaalsContact CB-OE1 3.24Å; P316-E360 WeakPolarHBondContact CB-OE1 3.29Å; P316-E360 HydrophobicContact CG-CB 4.47Å; P316-E360 HydrophobicContact CG-CG 3.67Å; P316-D365 WeakPolarHBondContact CA-OD2 3.5Å
317V96.6Very high94.9Very high69 Ų6967.1 Ų67.142%0.41834%0.341SS..G310 helixtrans-51.5-47.5-179.5176.50000111.4V319 L320 D365 R368V317-V319 PolarHBondContact O-N 2.85Å; V317-L320 HydrophobicContact CG2-CD1 4.5Å; V317-L320 WeakPolarHBondContact O-CB 3.41Å; V317-L320 PolarHBondContact O-N 3.47Å; V317-L320 VanDerWaalsContact O-N 3.12Å; V317-D365 PolarHBondContact N-OD2 3.22Å; V317-R368 VanDerWaalsContact CG2-CD 3.48Å
318R94Very high95Very high89 Ų8969.8 Ų69.834%0.33635%0.346SS..G310 helixtrans-60-20.9-177.865.1170.2-174.2106.4-7.6114.7D215 P316 H321 E360D215-R318 IonicContact OD1-CZ 3.37Å; D215-R318 IonicContact OD1-NH1 2.71Å; D215-R318 PolarHBondContact OD1-NH1 2.89Å; D215-R318 IonicContact OD2-CZ 3.85Å; D215-R318 VanDerWaalsContact OD2-CZ 3.23Å; D215-R318 IonicContact OD2-NH1 2.68Å; D215-R318 PolarHBondContact OD2-NH1 2.74Å; D215-R318 IonicContact OD2-NH2 3.75Å; D215-R318 PolarHBondContact OD2-NH2 3.1Å; P316-R318 VanDerWaalsContact C-N 3.26Å; P316-R318 HydrophobicContact CB-CG 4.15Å; P316-R318 PolarHBondContact O-N 3.15Å; R318-H321 PolarHBondContact O-CE1 2.93Å; R318-H321 PolarHBondContact O-ND1 3.12Å; R318-E360 WeakPolarHBondContact CD-OE1 3.48Å; R318-E360 IonicContact CZ-OE1 3.1Å; R318-E360 IonicContact NE-OE1 2.76Å; R318-E360 PolarHBondContact NE-OE1 2.99Å; R318-E360 IonicContact NE-OE2 2.8Å; R318-E360 IonicContact NH2-OE1 3.4Å; R318-E360 IonicContact NH2-OE2 3.15Å
319V92.8Very high95.1Very high5 Ų568.3 Ų68.33%0.0334%0.338CS..G310 helixtrans-111.7-0.1179-58.10000114T315 P316 V317 H321 R322 R323 Y357T315-V319 HydrophobicContact CG2-CG2 3.86Å; P316-V319 HydrophobicContact CB-CG2 4.07Å; P316-V319 HydrophobicContact CG-CG2 4.27Å; P316-V319 WeakPolarHBondContact O-CG2 3.42Å; P316-V319 PolarHBondContact O-N 2.83Å; V317-V319 PolarHBondContact O-N 2.85Å; V319-H321 PolarHBondContact O-N 3.06Å; V319-R322 WeakPolarHBondContact O-CG 3.35Å; V319-R322 PolarHBondContact O-N 2.92Å; V319-R322 VanDerWaalsContact O-N 3.11Å; V319-R323 HydrophobicContact CB-CG 4.08Å; V319-R323 HydrophobicContact CG2-CB 4.27Å; V319-R323 HydrophobicContact CG2-CG 4Å; V319-R323 WeakPolarHBondContact O-CB 3.18Å; V319-R323 PolarHBondContact O-N 2.84Å; V319-Y357 HydrophobicContact CG2-CE1 4.5Å
320L91.8Very high95.1Very high66 Ų6669.1 Ų69.135%0.34634%0.339SS..THydrogen-bonded Turntrans-57.5-32.7-178.2-77.4176.2000113.4T315 P316 V317 R322 L325T315-L320 HydrophobicContact CG2-CD2 3.8Å; P316-L320 WeakPolarHBondContact O-CG 3.37Å; P316-L320 PolarHBondContact O-N 3.01Å; V317-L320 HydrophobicContact CG2-CD1 4.5Å; V317-L320 WeakPolarHBondContact O-CB 3.41Å; V317-L320 PolarHBondContact O-N 3.47Å; V317-L320 VanDerWaalsContact O-N 3.12Å; L320-R322 PolarHBondContact O-N 2.97Å; L320-L325 HydrophobicContact CD2-CB 4.46Å; L320-L325 HydrophobicContact CD2-CD1 3.89Å
321H89.8Confident95Very high144 Ų14469.4 Ų69.467%0.66733%0.333SS*.THydrogen-bonded Turntrans-60.5-16.6179.465.6-90.4000114.1R318 V319R318-H321 PolarHBondContact O-CE1 2.93Å; R318-H321 PolarHBondContact O-ND1 3.12Å; V319-H321 PolarHBondContact O-N 3.06Å
322R89.4Confident95Very high141 Ų14169.4 Ų69.453%0.53233%0.333SS..THydrogen-bonded Turntrans-134.8-2.6-177.265.7-179.6-179.3-164.6-0.7114.4V319 L320V319-R322 WeakPolarHBondContact O-CG 3.35Å; V319-R322 PolarHBondContact O-N 2.92Å; V319-R322 VanDerWaalsContact O-N 3.11Å; L320-R322 PolarHBondContact O-N 2.97Å
323R89.4Confident94.9Very high134 Ų13467.6 Ų67.651%0.50633%0.325SS..SBendtrans-126.1135.8-176.9-67.9-63.7-169.9158.11.3109.9T315 V319 L325T315-R323 HydrophobicContact CG2-CB 3.55Å; V319-R323 HydrophobicContact CB-CG 4.08Å; V319-R323 HydrophobicContact CG2-CB 4.27Å; V319-R323 HydrophobicContact CG2-CG 4Å; V319-R323 WeakPolarHBondContact O-CB 3.18Å; V319-R323 PolarHBondContact O-N 2.84Å; R323-L325 PolarHBondContact O-N 3.36Å
324T92.8Very high94.7Very high119 Ų11974 Ų7473%0.7335%0.349SS*.  trans-58.1135.2173.5-42.20000110.7T315 A326T315-T324 PolarHBondContact OG1-O 2.92Å; T324-A326 PolarHBondContact O-N 2.87Å
325L95Very high94.6Very high114 Ų11469.9 Ų69.960%0.59733%0.331SS*.  trans-63.8120.3171.9-178.966.1000109.4L320 R323L320-L325 HydrophobicContact CD2-CB 4.46Å; L320-L325 HydrophobicContact CD2-CD1 3.89Å; R323-L325 PolarHBondContact O-N 3.36Å
326A95.1Very high94.6Very high36 Ų3674.3 Ų74.330%0.29835%0.351SS..  trans-156.7149.6172.800000109.4K314 T315 T324K314-A326 CarbonylContact C-O 3.55Å; K314-A326 WeakPolarHBondContact CA-O 3.43Å; T315-A326 PolarHBondContact N-O 3.44Å; T315-A326 PolarHBondContact OG1-N 3.45Å; T315-A326 VanDerWaalsContact OG1-N 3.14Å; T315-A326 PolarHBondContact OG1-O 3.03Å; T324-A326 PolarHBondContact O-N 2.87Å
327T96.7Very high94.5Very high81 Ų8174.9 Ų74.950%0.49736%0.357SS..EExtended strand (participates in β ladder)trans-90.6135.8166.6-49.20000108.7E312 Q313 K314E312-T327 HydrophobicContact CB-CG2 4.14Å; Q313-T327 CarbonylContact O-C 3.5Å; Q313-T327 WeakPolarHBondContact O-CA 3.38Å; K314-T327 HydrophobicContact CG-CG2 4.37Å
328R96.3Very high94.4Very high77 Ų7773.9 Ų73.929%0.29135%0.345SS..EExtended strand (participates in β ladder)trans-132.8128.9179.2-61.8-179.9-174.276.80.9109.4Q313 T315Q313-R328 PolarHBondContact N-O 3.37Å; Q313-R328 PolarHBondContact O-N 3.47Å; T315-R328 PolarHBondContact OG1-NH1 3.47Å
329S97.3Very high94.5Very high55 Ų5572.4 Ų72.439%0.38534%0.342SS..EExtended strand (participates in β ladder)trans-69.6135.4166.8-152.50000109.4I311 E312I311-S329 CarbonylContact O-C 3.54Å; I311-S329 WeakPolarHBondContact O-CA 3.37Å; E312-S329 WeakPolarHBondContact OE1-CA 3.46Å; E312-S329 WeakPolarHBondContact OE1-CB 3.19Å; E312-S329 PolarHBondContact OE1-OG 3Å; E312-S329 PolarHBondContact OE2-N 2.89Å
330R96.4Very high94.4Very high48 Ų4873.1 Ų73.118%0.18135%0.351CS..EExtended strand (participates in β ladder)trans-136.7140.4178.1-69-68.7175.9-109.217.3109.6N310 I311 G355 T356N310-R330 CarbonylContact C-O 3.24Å; N310-R330 WeakPolarHBondContact CA-O 3.34Å; I311-R330 HydrophobicContact CD1-CB 4.37Å; I311-R330 HydrophobicContact CG1-CB 3.85Å; I311-R330 WeakPolarHBondContact CG1-O 3.46Å; I311-R330 PolarHBondContact N-O 3Å; I311-R330 PolarHBondContact O-N 2.89Å; R330-G355 PolarHBondContact NE-O 3.4Å; R330-T356 HydrophobicContact CB-CG2 4.31Å
331R96.6Very high94.3Very high103 Ų10378 Ų7839%0.38937%0.372SS..EExtended strand (participates in β ladder)trans-95.8129.2177.7-164.5163-178.6-117.20.8111.9E333 T352 E353R331-E333 VanDerWaalsContact CD-OE1 3.23Å; R331-E333 WeakPolarHBondContact CD-OE1 3.38Å; R331-E333 WeakPolarHBondContact CG-OE1 3.39Å; R331-E333 IonicContact CZ-OE1 2.8Å; R331-E333 IonicContact CZ-OE2 3.81Å; R331-E333 IonicContact NE-OE1 3.32Å; R331-E333 IonicContact NH1-OE1 4Å; R331-E333 PolarHBondContact NH1-OE1 3.28Å; R331-E333 IonicContact NH1-OE2 2.66Å; R331-E333 PolarHBondContact NH1-OE2 3.28Å; R331-E333 IonicContact NH2-OE2 3.33Å; R331-T352 WeakPolarHBondContact O-CA 3.38Å; R331-E353 PolarHBondContact N-OE2 3.14Å; R331-E353 PolarHBondContact O-N 3.09Å
332I97.4Very high94.5Very high0 Ų075 Ų750%036%0.361CS..EExtended strand (participates in β ladder)trans-93.2118.1164.1-50.3-57.5000106.9A307 P308 M309 I311 I335 I350 T352 T356 F361A307-I332 HydrophobicContact CB-CG2 4.34Å; P308-I332 VanDerWaalsContact CA-O 3.28Å; P308-I332 WeakPolarHBondContact CA-O 3.46Å; M309-I332 HydrophobicContact CG-CB 3.88Å; M309-I332 HydrophobicContact CG-CG1 4.13Å; M309-I332 PolarHBondContact N-O 2.79Å; M309-I332 PolarHBondContact O-N 3.02Å; I311-I332 HydrophobicContact CD1-CD1 4.01Å; I311-I332 HydrophobicContact CD1-CG1 4.44Å; I311-I332 HydrophobicContact CG1-CD1 4.47Å; I311-I332 HydrophobicContact CG2-CG1 3.99Å; I332-I335 HydrophobicContact CG2-CD1 3.89Å; I332-I335 HydrophobicContact CG2-CG1 3.72Å; I332-I350 HydrophobicContact CD1-CD1 4.09Å; I332-I350 HydrophobicContact CG2-CD1 3.84Å; I332-I350 HydrophobicContact CG2-CG1 3.88Å; I332-T352 HydrophobicContact CD1-CG2 3.44Å; I332-T352 VanDerWaalsContact CD1-CG2 3.44Å; I332-T356 HydrophobicContact CD1-CG2 3.97Å; I332-F361 HydrophobicContact CD1-CD1 4.38Å; I332-F361 HydrophobicContact CD1-CE1 4.38Å; I332-F361 HydrophobicContact CD1-CG 4.48Å; I332-F361 HydrophobicContact CD1-CZ 4.5Å; I332-F361 HydrophobicContact CG1-CE1 4.43Å; I332-F361 HydrophobicContact CG1-CE2 4.29Å; I332-F361 HydrophobicContact CG1-CZ 4.13Å
333E95.4Very high94.7Very high46 Ų4673.9 Ų73.922%0.21536%0.364CS..EExtended strand (participates in β ladder)trans-87.5-45-174.4-64.7-65159.600111.8T282 R331 T351T282-E333 HydrophobicContact CG2-CG 4.18Å; R331-E333 VanDerWaalsContact CD-OE1 3.23Å; R331-E333 WeakPolarHBondContact CD-OE1 3.38Å; R331-E333 WeakPolarHBondContact CG-OE1 3.39Å; R331-E333 IonicContact CZ-OE1 2.8Å; R331-E333 IonicContact CZ-OE2 3.81Å; R331-E333 IonicContact NE-OE1 3.32Å; R331-E333 IonicContact NH1-OE1 4Å; R331-E333 PolarHBondContact NH1-OE1 3.28Å; R331-E333 IonicContact NH1-OE2 2.66Å; R331-E333 PolarHBondContact NH1-OE2 3.28Å; R331-E333 IonicContact NH2-OE2 3.33Å; E333-T351 HydrophobicContact CB-CG2 4.24Å; E333-T351 WeakPolarHBondContact CB-O 3.36Å; E333-T351 PolarHBondContact N-O 2.99Å
334R95.4Very high95.1Very high135 Ų13569 Ų6951%0.50935%0.35SS..EExtended strand (participates in β ladder)trans-148.2144.9-178.3-65.7-171.2175.393.31.7110.8I350 T351R334-I350 WeakPolarHBondContact O-CA 3.48Å; R334-T351 PolarHBondContact N-O 3.17Å; R334-T351 PolarHBondContact O-N 3.49Å
335I95.6Very high95.3Very high5 Ų564 Ų643%0.02632%0.319CS..EExtended strand (participates in β ladder)trans-130.5133.6170-63165.2000107.4L303 I304 L306 A307 I332 L349 I350 F361L303-I335 HydrophobicContact CG-CG2 4.25Å; I304-I335 WeakPolarHBondContact CG2-O 3.01Å; L306-I335 HydrophobicContact CB-CD1 4.26Å; A307-I335 HydrophobicContact CB-CB 4.22Å; A307-I335 HydrophobicContact CB-CD1 4.11Å; A307-I335 HydrophobicContact CB-CG1 3.94Å; I332-I335 HydrophobicContact CG2-CD1 3.89Å; I332-I335 HydrophobicContact CG2-CG1 3.72Å; I335-L349 CarbonylContact C-O 3.48Å; I335-L349 WeakPolarHBondContact CA-O 3.5Å; I335-I350 HydrophobicContact CG1-CD1 4.18Å; I335-I350 HydrophobicContact CG1-CG1 4Å; I335-F361 HydrophobicContact CD1-CE1 4.33Å; I335-F361 HydrophobicContact CD1-CZ 4.26Å
336H95.3Very high95.4Very high93 Ų9358.6 Ų58.643%0.43129%0.291SS..EExtended strand (participates in β ladder)trans-121.5148.1159.4-66.7-74.3000108.2W338 I348 L349H336-W338 HydrophobicContact CB-CZ3 4.34Å; H336-I348 CarbonylContact O-C 3.54Å; H336-I348 VanDerWaalsContact O-CA 3.3Å; H336-I348 WeakPolarHBondContact O-CA 3.26Å; H336-L349 HydrophobicContact CB-CB 4.2Å; H336-L349 PolarHBondContact N-O 3.14Å; H336-L349 PolarHBondContact O-N 3.38Å
337A95.6Very high95.5Very high13 Ų1359.2 Ų59.211%0.10729%0.287CS..EExtended strand (participates in β ladder)trans-144.9146-179.900000111.3L300 L303 I304 F347 I348L300-A337 HydrophobicContact CB-CB 4.3Å; L300-A337 HydrophobicContact CD2-CB 4.19Å; L303-A337 HydrophobicContact CD2-CB 3.97Å; I304-A337 HydrophobicContact CG1-CB 4.16Å; A337-F347 VanDerWaalsContact CA-O 3.22Å; A337-F347 WeakPolarHBondContact CA-O 3.32Å; A337-I348 HydrophobicContact CB-CG2 4.21Å
338W94.9Very high95.4Very high47 Ų4755.4 Ų55.418%0.17826%0.264CS..EExtended strand (participates in β ladder)trans-155.7156.617761.891.9000110.4H336 F346 F347 L349 L401H336-W338 HydrophobicContact CB-CZ3 4.34Å; W338-F346 CarbonylContact O-C 3.58Å; W338-F346 WeakPolarHBondContact O-CA 3.45Å; W338-F346 WeakPolarHBondContact O-CB 3.34Å; W338-F347 AromaticContact CD1-CD2 3.91Å; W338-F347 HydrophobicContact CD2-CB 3.91Å; W338-F347 AromaticContact CE2-CG 3.89Å; W338-F347 HydrophobicContact CE3-CB 4.5Å; W338-F347 HydrophobicContact CG-CB 4.38Å; W338-F347 HydrophobicContact CH2-CB 4.07Å; W338-F347 HydrophobicContact CZ2-CB 3.41Å; W338-F347 VanDerWaalsContact CZ2-CB 3.41Å; W338-F347 AromaticContact CZ2-CG 3.97Å; W338-F347 HydrophobicContact CZ2-CG 3.97Å; W338-F347 PolarHBondContact N-O 2.87Å; W338-F347 VanDerWaalsContact N-O 3.15Å; W338-F347 AromaticContact NE1-CD2 3.34Å; W338-F347 VanDerWaalsContact NE1-CD2 3.34Å; W338-F347 AromaticContact NE1-CG 3.62Å; W338-F347 PolarHBondContact O-N 2.87Å; W338-L349 HydrophobicContact CH2-CB 3.87Å; W338-L349 HydrophobicContact CZ3-CB 3.75Å; W338-L401 HydrophobicContact CZ2-CD1 3.77Å; W338-L401 HydrophobicContact CZ2-CD2 4.22Å
339H95.4Very high95.4Very high58 Ų5852.4 Ų52.427%0.26925%0.253SS..EExtended strand (participates in β ladder)trans-63.1147.1-179.1-70.792.2000113.4V295 T297V295-H339 PolarHBondContact O-NE2 2.88Å; T297-H339 PolarHBondContact OG1-CE1 2.85Å; T297-H339 VanDerWaalsContact OG1-CE1 3.3Å
340G91.8Very high95.3Very high21 Ų2149.8 Ų49.822%0.21624%0.235CC..  trans-83.2-159.9165.100000111.6D345G340-D345 WeakPolarHBondContact CA-O 3.49Å; G340-D345 PolarHBondContact N-O 3.47Å
341Q89.4Confident95.3Very high169 Ų16947.9 Ų47.979%0.7923%0.229SC*.SBendtrans-75.2-31.8177.6-67.6-178.2-600112.7
342D93.3Very high95.2Very high81 Ų8143 Ų4343%0.43321%0.21SC..SBendtrans-101.9150.7175.4-169-83.1000110C344 D345D342-C344 PolarHBondContact O-N 3.02Å; D342-C344 VanDerWaalsContact OD1-CB 3.27Å; D342-C344 WeakPolarHBondContact OD1-CB 3.47Å; D342-C344 PolarHBondContact OD1-N 3.39Å; D342-C344 PolarHBondContact OD1-SG 2.9Å; D342-D345 HydrophobicContact CB-CB 4.2Å; D342-D345 PolarHBondContact O-N 3.15Å; D342-D345 VanDerWaalsContact O-O 3.04Å
343L93.5Very high95Very high116 Ų11646.6 Ų46.661%0.60723%0.227SC*.THydrogen-bonded Turntrans-65.6-21.4178.4-66175.2000113.1P294 V295P294-L343 WeakPolarHBondContact CA-O 3.44Å; P294-L343 HydrophobicContact CB-CB 3.9Å; V295-L343 PolarHBondContact N-O 3Å
344C97.1Very high94.6Very high31 Ų3145.3 Ų45.321%0.20923%0.225CC..THydrogen-bonded Turntrans-84.9-14.2174-50.40000112.4R290 A291 D342R290-C344 WeakPolarHBondContact CA-O 3.32Å; A291-C344 PolarHBondContact N-O 2.72Å; D342-C344 PolarHBondContact O-N 3.02Å; D342-C344 VanDerWaalsContact OD1-CB 3.27Å; D342-C344 WeakPolarHBondContact OD1-CB 3.47Å; D342-C344 PolarHBondContact OD1-N 3.39Å; D342-C344 PolarHBondContact OD1-SG 2.9Å
345D96.9Very high94.4Very high15 Ų1540.9 Ų40.98%0.0822%0.22CC..EExtended strand (participates in β ladder)trans-99.4137.9-179.7-69.8-21.1000110.6L288 C289 R290 G340 D342L288-D345 HydrophobicContact CD1-CB 4.3Å; C289-D345 WeakPolarHBondContact O-CA 3.47Å; R290-D345 WeakPolarHBondContact CB-OD1 3.37Å; R290-D345 IonicContact CZ-OD1 3.94Å; R290-D345 IonicContact CZ-OD2 3.63Å; R290-D345 IonicContact NE-OD1 3.88Å; R290-D345 PolarHBondContact NE-OD1 3.05Å; R290-D345 IonicContact NE-OD2 3.75Å; R290-D345 IonicContact NH2-OD1 3.23Å; R290-D345 PolarHBondContact NH2-OD1 2.99Å; R290-D345 IonicContact NH2-OD2 2.69Å; R290-D345 PolarHBondContact NH2-OD2 3.47Å; G340-D345 WeakPolarHBondContact CA-O 3.49Å; G340-D345 PolarHBondContact N-O 3.47Å; D342-D345 HydrophobicContact CB-CB 4.2Å; D342-D345 PolarHBondContact O-N 3.15Å; D342-D345 VanDerWaalsContact O-O 3.04Å
346F97.2Very high94.4Very high0 Ų041 Ų410%022%0.222CC..EExtended strand (participates in β ladder)trans-149.7153.5173.363.8-81.8000110.7C289 A291 V295 L300 L303 W338 I348 I373 L377 V381C289-F346 HydrophobicContact CB-CD1 4.15Å; C289-F346 HydrophobicContact CB-CD2 4.08Å; C289-F346 HydrophobicContact CB-CE1 3.74Å; C289-F346 HydrophobicContact CB-CE2 3.68Å; C289-F346 HydrophobicContact CB-CG 4.31Å; C289-F346 HydrophobicContact CB-CZ 3.5Å; C289-F346 PolarHBondContact N-O 2.94Å; C289-F346 PolarHBondContact O-N 3Å; A291-F346 HydrophobicContact CB-CE1 4.29Å; V295-F346 HydrophobicContact CB-CD1 4.47Å; V295-F346 HydrophobicContact CG2-CD1 4.02Å; V295-F346 HydrophobicContact CG2-CE1 4.01Å; L300-F346 HydrophobicContact CD1-CB 4.3Å; L300-F346 HydrophobicContact CD2-CB 4.03Å; L300-F346 HydrophobicContact CD2-CD2 3.78Å; L300-F346 HydrophobicContact CD2-CE2 4.37Å; L300-F346 HydrophobicContact CD2-CG 3.9Å; L303-F346 HydrophobicContact CD2-CE2 4.23Å; W338-F346 CarbonylContact O-C 3.58Å; W338-F346 WeakPolarHBondContact O-CA 3.45Å; W338-F346 WeakPolarHBondContact O-CB 3.34Å; F346-I348 HydrophobicContact CD2-CG2 3.9Å; F346-I348 HydrophobicContact CE2-CG2 3.74Å; F346-I373 HydrophobicContact CE2-CG2 4.48Å; F346-I373 HydrophobicContact CZ-CG2 4.21Å; F346-L377 HydrophobicContact CE1-CD1 4.21Å; F346-L377 HydrophobicContact CZ-CD1 3.8Å; F346-V381 HydrophobicContact CE1-CG1 4Å; F346-V381 HydrophobicContact CE1-CG2 4.47Å; F346-V381 HydrophobicContact CZ-CG1 3.78Å; F346-V381 HydrophobicContact CZ-CG2 4.39Å
347F97.1Very high94.4Very high50 Ų5038.6 Ų38.622%0.21921%0.209CC..EExtended strand (participates in β ladder)trans-98.6146.6174.3-68-86000110.3V286 A287 L288 A337 W338 L401V286-F347 HydrophobicContact CG1-CD1 4.33Å; A287-F347 CarbonylContact O-C 3.6Å; A287-F347 VanDerWaalsContact O-CA 3.26Å; A287-F347 WeakPolarHBondContact O-CA 2.87Å; L288-F347 HydrophobicContact CB-CD1 4.21Å; L288-F347 HydrophobicContact CB-CE1 3.95Å; L288-F347 HydrophobicContact CD1-CD1 4.25Å; L288-F347 HydrophobicContact CD1-CE1 3.88Å; L288-F347 HydrophobicContact CD1-CE2 4.23Å; L288-F347 HydrophobicContact CD1-CZ 3.88Å; L288-F347 HydrophobicContact CG-CE1 4.4Å; A337-F347 VanDerWaalsContact CA-O 3.22Å; A337-F347 WeakPolarHBondContact CA-O 3.32Å; W338-F347 AromaticContact CD1-CD2 3.91Å; W338-F347 HydrophobicContact CD2-CB 3.91Å; W338-F347 AromaticContact CE2-CG 3.89Å; W338-F347 HydrophobicContact CE3-CB 4.5Å; W338-F347 HydrophobicContact CG-CB 4.38Å; W338-F347 HydrophobicContact CH2-CB 4.07Å; W338-F347 HydrophobicContact CZ2-CB 3.41Å; W338-F347 VanDerWaalsContact CZ2-CB 3.41Å; W338-F347 AromaticContact CZ2-CG 3.97Å; W338-F347 HydrophobicContact CZ2-CG 3.97Å; W338-F347 PolarHBondContact N-O 2.87Å; W338-F347 VanDerWaalsContact N-O 3.15Å; W338-F347 AromaticContact NE1-CD2 3.34Å; W338-F347 VanDerWaalsContact NE1-CD2 3.34Å; W338-F347 AromaticContact NE1-CG 3.62Å; W338-F347 PolarHBondContact O-N 2.87Å; F347-L401 HydrophobicContact CD2-CD2 4.46Å; F347-L401 HydrophobicContact CE2-CD2 4.31Å
348I96Very high94.5Very high1 Ų138.2 Ų38.21%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-121.4133.5165.160.9174.8000109.8V286 A287 L303 H336 A337 F346 V362 I373V286-I348 CarbonylContact C-O 3.55Å; V286-I348 VanDerWaalsContact CA-O 3.29Å; V286-I348 WeakPolarHBondContact CA-O 3.38Å; A287-I348 HydrophobicContact CB-CD1 4.08Å; A287-I348 HydrophobicContact CB-CG1 3.67Å; A287-I348 PolarHBondContact N-O 3.47Å; A287-I348 PolarHBondContact O-N 2.87Å; L303-I348 HydrophobicContact CD2-CG2 4.03Å; H336-I348 CarbonylContact O-C 3.54Å; H336-I348 VanDerWaalsContact O-CA 3.3Å; H336-I348 WeakPolarHBondContact O-CA 3.26Å; A337-I348 HydrophobicContact CB-CG2 4.21Å; F346-I348 HydrophobicContact CD2-CG2 3.9Å; F346-I348 HydrophobicContact CE2-CG2 3.74Å; I348-V362 HydrophobicContact CD1-CG2 3.86Å; I348-I373 HydrophobicContact CD1-CD1 3.66Å; I348-I373 HydrophobicContact CG2-CD1 4.4Å
349L96Very high94.6Very high13 Ų1337.4 Ų37.47%0.06820%0.203CC..EExtended strand (participates in β ladder)trans-105.7111.1163.8169.972000107.4T284 Y285 V286 I335 H336 W338 I394T284-L349 HydrophobicContact CG2-CD1 3.44Å; T284-L349 VanDerWaalsContact CG2-CD1 3.44Å; T284-L349 HydrophobicContact CG2-CG 4.39Å; Y285-L349 CarbonylContact O-C 3.59Å; Y285-L349 WeakPolarHBondContact O-CA 3.41Å; V286-L349 HydrophobicContact CG2-CB 4.49Å; V286-L349 HydrophobicContact CG2-CD1 3.61Å; I335-L349 CarbonylContact C-O 3.48Å; I335-L349 WeakPolarHBondContact CA-O 3.5Å; H336-L349 HydrophobicContact CB-CB 4.2Å; H336-L349 PolarHBondContact N-O 3.14Å; H336-L349 PolarHBondContact O-N 3.38Å; W338-L349 HydrophobicContact CH2-CB 3.87Å; W338-L349 HydrophobicContact CZ3-CB 3.75Å; L349-I394 HydrophobicContact CD1-CD1 4.4Å; L349-I394 HydrophobicContact CD1-CG1 4.25Å; L349-I394 HydrophobicContact CD2-CB 4.44Å; L349-I394 HydrophobicContact CD2-CD1 4.2Å; L349-I394 HydrophobicContact CD2-CG1 4.16Å; L349-I394 HydrophobicContact CD2-CG2 3.48Å; L349-I394 VanDerWaalsContact CD2-CG2 3.48Å
350I95.3Very high94.7Very high1 Ų134.7 Ų34.71%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-123.8132.5-171-169.4173.7000110.9T284 Y285 I332 R334 I335 T352 I358 F361T284-I350 CarbonylContact C-O 3.55Å; T284-I350 VanDerWaalsContact CA-O 3.27Å; T284-I350 WeakPolarHBondContact CA-O 3.5Å; Y285-I350 HydrophobicContact CD2-CG2 4.23Å; Y285-I350 PolarHBondContact N-O 2.84Å; Y285-I350 PolarHBondContact O-N 3.11Å; I332-I350 HydrophobicContact CD1-CD1 4.09Å; I332-I350 HydrophobicContact CG2-CD1 3.84Å; I332-I350 HydrophobicContact CG2-CG1 3.88Å; R334-I350 WeakPolarHBondContact O-CA 3.48Å; I335-I350 HydrophobicContact CG1-CD1 4.18Å; I335-I350 HydrophobicContact CG1-CG1 4Å; I350-T352 HydrophobicContact CD1-CG2 3.82Å; I350-T352 HydrophobicContact CG1-CG2 3.68Å; I350-I358 HydrophobicContact CG2-CD1 4.38Å; I350-I358 HydrophobicContact CG2-CG2 4.38Å; I350-F361 HydrophobicContact CD1-CD1 3.52Å; I350-F361 HydrophobicContact CD1-CE1 3.36Å; I350-F361 HydrophobicContact CD1-CZ 4.48Å
351T95.4Very high95Very high7 Ų733.8 Ų33.84%0.04318%0.18CC..EExtended strand (participates in β ladder)trans-111.6126.9170.7-57.40000109.1K283 T284 E333 R334K283-T351 CarbonylContact O-C 3.55Å; K283-T351 WeakPolarHBondContact O-CA 3.44Å; T284-T351 PolarHBondContact OG1-OG1 3.42Å; E333-T351 HydrophobicContact CB-CG2 4.24Å; E333-T351 WeakPolarHBondContact CB-O 3.36Å; E333-T351 PolarHBondContact N-O 2.99Å; R334-T351 PolarHBondContact N-O 3.17Å; R334-T351 PolarHBondContact O-N 3.49Å
352T95Very high95.5Very high0 Ų025.7 Ų25.70%014%0.143CC..EExtended strand (participates in β ladder)trans-134.3166.2-174.874.20000110.9T282 K283 R331 I332 I350 T356 I358T282-T352 CarbonylContact C-O 3.52Å; T282-T352 WeakPolarHBondContact CA-O 3.42Å; T282-T352 WeakPolarHBondContact CB-O 3.47Å; K283-T352 PolarHBondContact N-O 3.3Å; K283-T352 PolarHBondContact O-N 3.23Å; R331-T352 WeakPolarHBondContact O-CA 3.38Å; I332-T352 HydrophobicContact CD1-CG2 3.44Å; I332-T352 VanDerWaalsContact CD1-CG2 3.44Å; I350-T352 HydrophobicContact CD1-CG2 3.82Å; I350-T352 HydrophobicContact CG1-CG2 3.68Å; T352-T356 HydrophobicContact CG2-CG2 4.15Å; T352-T356 WeakPolarHBondContact OG1-CB 3.25Å; T352-T356 PolarHBondContact OG1-OG1 3.28Å; T352-I358 HydrophobicContact CG2-CD1 3.68Å
353E93.1Very high95.7Very high76 Ų7624.6 Ų24.636%0.35514%0.135SC..EExtended strand (participates in β ladder)trans-54.8151160.2-165.3-175.817000111.1K281 R331 T356K281-E353 WeakPolarHBondContact O-CA 3.41Å; R331-E353 PolarHBondContact N-OE2 3.14Å; R331-E353 PolarHBondContact O-N 3.09Å; E353-T356 PolarHBondContact O-N 3.42Å; E353-T356 PolarHBondContact O-OG1 2.86Å
354A88.2Confident95.9Very high20 Ų2019.2 Ų19.217%0.16511%0.107CC..THydrogen-bonded Turntrans-63.8141.5173.100000112.5E280 K281 K283 T356E280-A354 WeakPolarHBondContact O-CB 3.21Å; K281-A354 PolarHBondContact O-N 3.02Å; K283-A354 HydrophobicContact CD-CB 4.48Å; K283-A354 HydrophobicContact CG-CB 4.49Å; A354-T356 VanDerWaalsContact C-N 3.32Å
355G90.2Very high95.9Very high41 Ų4118 Ų1842%0.42310%0.099SC..THydrogen-bonded Turntrans80.312.3-179.100000114.3R330R330-G355 PolarHBondContact NE-O 3.4Å
356T95.2Very high95.8Very high8 Ų826.2 Ų26.25%0.04913%0.134CC..  trans-69.5132163.7-560000110.2I311 R330 I332 T352 E353 A354 I358I311-T356 HydrophobicContact CD1-CG2 3.99Å; R330-T356 HydrophobicContact CB-CG2 4.31Å; I332-T356 HydrophobicContact CD1-CG2 3.97Å; T352-T356 HydrophobicContact CG2-CG2 4.15Å; T352-T356 WeakPolarHBondContact OG1-CB 3.25Å; T352-T356 PolarHBondContact OG1-OG1 3.28Å; E353-T356 PolarHBondContact O-N 3.42Å; E353-T356 PolarHBondContact O-OG1 2.86Å; A354-T356 VanDerWaalsContact C-N 3.32Å; T356-I358 HydrophobicContact CG2-CD1 3.96Å; T356-I358 PolarHBondContact O-N 3.44Å
357Y96.2Very high95.8Very high42 Ų4228.1 Ų28.117%0.16515%0.153CC..  trans-86.393.2178.6-66.9-66.1000109.4Q313 P316 V319 E360 F361Q313-Y357 HydrophobicContact CB-CD2 4.38Å; Q313-Y357 PolarHBondContact NE2-O 3.17Å; P316-Y357 VanDerWaalsContact CD-CD2 3.46Å; P316-Y357 HydrophobicContact CG-CD1 3.63Å; P316-Y357 HydrophobicContact CG-CD2 3.56Å; P316-Y357 HydrophobicContact CG-CE1 3.96Å; P316-Y357 HydrophobicContact CG-CE2 3.9Å; P316-Y357 HydrophobicContact CG-CG 3.41Å; P316-Y357 VanDerWaalsContact CG-CG 3.41Å; V319-Y357 HydrophobicContact CG2-CE1 4.5Å; Y357-E360 VanDerWaalsContact CB-OE2 3.29Å; Y357-E360 WeakPolarHBondContact CB-OE2 3.23Å; Y357-E360 PolarHBondContact O-N 3.08Å; Y357-F361 PolarHBondContact O-N 3.4Å
358I97.3Very high95.8Very high6 Ų628 Ų283%0.03115%0.152CC..Hα-helixtrans-66.5-42.4-170-54.9-59.6000112.3Y285 I350 T352 T356 E360 F361 V362 L383 L386Y285-I358 HydrophobicContact CD1-CG1 4.19Å; Y285-I358 HydrophobicContact CD2-CD1 3.7Å; Y285-I358 HydrophobicContact CD2-CG1 3.71Å; Y285-I358 HydrophobicContact CE1-CG1 4.17Å; Y285-I358 HydrophobicContact CE2-CD1 3.68Å; Y285-I358 HydrophobicContact CE2-CG1 3.7Å; Y285-I358 HydrophobicContact CG-CD1 4.4Å; Y285-I358 HydrophobicContact CG-CG1 3.96Å; I350-I358 HydrophobicContact CG2-CD1 4.38Å; I350-I358 HydrophobicContact CG2-CG2 4.38Å; T352-I358 HydrophobicContact CG2-CD1 3.68Å; T356-I358 HydrophobicContact CG2-CD1 3.96Å; T356-I358 PolarHBondContact O-N 3.44Å; I358-E360 PolarHBondContact O-N 3.15Å; I358-F361 PolarHBondContact O-N 3.48Å; I358-F361 VanDerWaalsContact O-N 3.12Å; I358-V362 WeakPolarHBondContact O-CG2 3.41Å; I358-V362 PolarHBondContact O-N 3.5Å; I358-L383 HydrophobicContact CG2-CD1 4.21Å; I358-L386 HydrophobicContact CB-CD1 4.46Å; I358-L386 HydrophobicContact CB-CD2 4.23Å; I358-L386 HydrophobicContact CG2-CD1 3.9Å; I358-L386 HydrophobicContact CG2-CD2 4.48Å
359K97.4Very high95.9Very high29 Ų2928 Ų2813%0.12615%0.151CC..Hα-helixtrans-55.2-47.8177.7-55.1-171.8-176.8-169.10109.5D215 D217 F361 V362 H363 L383D215-K359 IonicContact OD2-NZ 3.39Å; D217-K359 IonicContact OD1-NZ 2.87Å; D217-K359 PolarHBondContact OD1-NZ 3.27Å; D217-K359 IonicContact OD2-NZ 3.63Å; D217-K359 PolarHBondContact OD2-NZ 3.26Å; K359-F361 PolarHBondContact O-N 3.41Å; K359-V362 WeakPolarHBondContact O-CA 3.45Å; K359-V362 WeakPolarHBondContact O-CB 3.29Å; K359-V362 PolarHBondContact O-N 3.2Å; K359-H363 PolarHBondContact O-CD2 3.06Å; K359-H363 PolarHBondContact O-N 2.92Å; K359-H363 PolarHBondContact O-NE2 3.12Å; K359-L383 HydrophobicContact CG-CD1 4.23Å; K359-L383 HydrophobicContact CG-CD2 4.36Å
360E97.9Very high95.9Very high1 Ų131.7 Ų31.71%0.00517%0.171CC..Hα-helixtrans-71.4-27.2-178.7-65.279-174.300113.8P316 R318 Y357 I358 V362 G364 D365 T369P316-E360 HydrophobicContact CB-CG 3.65Å; P316-E360 VanDerWaalsContact CB-OE1 3.24Å; P316-E360 WeakPolarHBondContact CB-OE1 3.29Å; P316-E360 HydrophobicContact CG-CB 4.47Å; P316-E360 HydrophobicContact CG-CG 3.67Å; R318-E360 WeakPolarHBondContact CD-OE1 3.48Å; R318-E360 IonicContact CZ-OE1 3.1Å; R318-E360 IonicContact NE-OE1 2.76Å; R318-E360 PolarHBondContact NE-OE1 2.99Å; R318-E360 IonicContact NE-OE2 2.8Å; R318-E360 IonicContact NH2-OE1 3.4Å; R318-E360 IonicContact NH2-OE2 3.15Å; Y357-E360 VanDerWaalsContact CB-OE2 3.29Å; Y357-E360 WeakPolarHBondContact CB-OE2 3.23Å; Y357-E360 PolarHBondContact O-N 3.08Å; I358-E360 PolarHBondContact O-N 3.15Å; E360-V362 VanDerWaalsContact C-N 3.29Å; E360-G364 WeakPolarHBondContact O-CA 3.05Å; E360-G364 PolarHBondContact O-N 3.07Å; E360-D365 HydrophobicContact CB-CB 3.91Å; E360-D365 HydrophobicContact CG-CB 3.6Å; E360-T369 WeakPolarHBondContact O-CB 3.48Å
361F98.1Very high96Very high2 Ų234.7 Ų34.71%0.00919%0.191CC..Hα-helixtrans-69-28.6168.3178.1-116.2000112.4M309 I311 I332 I335 I350 Y357 I358 K359 T369 N372 I373M309-F361 HydrophobicContact SD-CZ 4.45Å; I311-F361 HydrophobicContact CD1-CB 4.19Å; I311-F361 HydrophobicContact CD1-CD2 3.7Å; I311-F361 HydrophobicContact CD1-CE2 4.46Å; I311-F361 HydrophobicContact CD1-CG 4.15Å; I311-F361 HydrophobicContact CG2-CD2 3.92Å; I311-F361 HydrophobicContact CG2-CE2 3.69Å; I332-F361 HydrophobicContact CD1-CD1 4.38Å; I332-F361 HydrophobicContact CD1-CE1 4.38Å; I332-F361 HydrophobicContact CD1-CG 4.48Å; I332-F361 HydrophobicContact CD1-CZ 4.5Å; I332-F361 HydrophobicContact CG1-CE1 4.43Å; I332-F361 HydrophobicContact CG1-CE2 4.29Å; I332-F361 HydrophobicContact CG1-CZ 4.13Å; I335-F361 HydrophobicContact CD1-CE1 4.33Å; I335-F361 HydrophobicContact CD1-CZ 4.26Å; I350-F361 HydrophobicContact CD1-CD1 3.52Å; I350-F361 HydrophobicContact CD1-CE1 3.36Å; I350-F361 HydrophobicContact CD1-CZ 4.48Å; Y357-F361 PolarHBondContact O-N 3.4Å; I358-F361 PolarHBondContact O-N 3.48Å; I358-F361 VanDerWaalsContact O-N 3.12Å; K359-F361 PolarHBondContact O-N 3.41Å; F361-T369 HydrophobicContact CD2-CG2 4.47Å; F361-N372 CarbonylContact O-C 3.53Å; F361-N372 VanDerWaalsContact O-CA 3.3Å; F361-N372 WeakPolarHBondContact O-CA 3.49Å; F361-N372 VanDerWaalsContact O-CB 3.24Å; F361-N372 WeakPolarHBondContact O-CB 3.32Å; F361-I373 HydrophobicContact CD1-CD1 4.19Å; F361-I373 HydrophobicContact CD1-CG1 4.16Å; F361-I373 HydrophobicContact CE1-CD1 3.87Å; F361-I373 HydrophobicContact CE1-CG1 3.75Å; F361-I373 HydrophobicContact CZ-CG1 4.02Å; F361-I373 PolarHBondContact O-N 3.08Å
362V98.3Very high96.1Very high0 Ų034.5 Ų34.50%019%0.189CC..Hα-helixtrans-74.7-58.4174.3176.50000110.9I348 I358 K359 E360 I373 S374 V381 L383I348-V362 HydrophobicContact CD1-CG2 3.86Å; I358-V362 WeakPolarHBondContact O-CG2 3.41Å; I358-V362 PolarHBondContact O-N 3.5Å; K359-V362 WeakPolarHBondContact O-CA 3.45Å; K359-V362 WeakPolarHBondContact O-CB 3.29Å; K359-V362 PolarHBondContact O-N 3.2Å; E360-V362 VanDerWaalsContact C-N 3.29Å; V362-I373 HydrophobicContact CG2-CD1 4.16Å; V362-S374 PolarHBondContact O-N 3Å; V362-V381 HydrophobicContact CG1-CB 4.2Å; V362-V381 HydrophobicContact CG1-CG1 3.53Å; V362-L383 HydrophobicContact CB-CB 4.37Å; V362-L383 HydrophobicContact CG1-CB 4.31Å; V362-L383 HydrophobicContact CG2-CB 4.48Å; V362-L383 HydrophobicContact CG2-CD1 4Å
363H98Very high96.2Very high57 Ų5734.5 Ų34.526%0.26419%0.189SC..Hα-helixtrans-98.40.3-16969.671.1000114.9K359 D365 V381K359-H363 PolarHBondContact O-CD2 3.06Å; K359-H363 PolarHBondContact O-N 2.92Å; K359-H363 PolarHBondContact O-NE2 3.12Å; H363-D365 WeakPolarHBondContact ND1-CA 3.19Å; H363-D365 PolarHBondContact ND1-N 3.12Å; H363-D365 PolarHBondContact O-N 3.04Å; H363-D365 VanDerWaalsContact O-N 3.09Å; H363-V381 WeakPolarHBondContact CA-O 3.37Å; H363-V381 WeakPolarHBondContact CB-O 3.4Å
364G97.3Very high96.4Very high3 Ų331.7 Ų31.73%0.03118%0.178CC..THydrogen-bonded Turntrans76.9-11.7175.300000117E360 F366 G367 R368 T369 N372E360-G364 WeakPolarHBondContact O-CA 3.05Å; E360-G364 PolarHBondContact O-N 3.07Å; G364-F366 PolarHBondContact O-N 3.4Å; G364-G367 PolarHBondContact O-N 3.12Å; G364-R368 PolarHBondContact O-N 3.37Å; G364-T369 PolarHBondContact O-N 3.12Å; G364-N372 WeakPolarHBondContact CA-ND2 2.9Å
365D97.4Very high96.8Very high6 Ų635.4 Ų35.43%0.03220%0.195CC..THydrogen-bonded Turntrans48.750.1-178.3-16940.3000113P316 V317 E360 H363 G367 R368P316-D365 WeakPolarHBondContact CA-OD2 3.5Å; V317-D365 PolarHBondContact N-OD2 3.22Å; E360-D365 HydrophobicContact CB-CB 3.91Å; E360-D365 HydrophobicContact CG-CB 3.6Å; H363-D365 WeakPolarHBondContact ND1-CA 3.19Å; H363-D365 PolarHBondContact ND1-N 3.12Å; H363-D365 PolarHBondContact O-N 3.04Å; H363-D365 VanDerWaalsContact O-N 3.09Å; D365-G367 PolarHBondContact O-N 3.42Å; D365-R368 HydrophobicContact CB-CB 3.99Å; D365-R368 WeakPolarHBondContact O-CB 3.38Å; D365-R368 WeakPolarHBondContact O-CD 3.48Å; D365-R368 WeakPolarHBondContact O-CG 3.4Å; D365-R368 PolarHBondContact O-N 2.96Å; D365-R368 VanDerWaalsContact OD2-CD 3.25Å; D365-R368 WeakPolarHBondContact OD2-CD 3.38Å; D365-R368 IonicContact OD2-NE 3.12Å; D365-R368 PolarHBondContact OD2-NE 2.8Å
366F96.1Very high97Very high188 Ų18837 Ų3783%0.82519%0.191SC*.THydrogen-bonded Turntrans57.346.7-177.8-48.2-77.6000113.1G364 R368G364-F366 PolarHBondContact O-N 3.4Å; F366-R368 VanDerWaalsContact C-N 3.31Å; F366-R368 PolarHBondContact O-N 3.49Å
367G95.9Very high97Very high39 Ų3937.2 Ų37.240%0.40219%0.191SC..THydrogen-bonded Turntrans74.518.6179.600000114.1G364 D365G364-G367 PolarHBondContact O-N 3.12Å; D365-G367 PolarHBondContact O-N 3.42Å
368R97.6Very high96.9Very high48 Ų4838.4 Ų38.418%0.18122%0.216CC..THydrogen-bonded Turntrans-92.8-13.1178.2-64.717468.580.14.1113.1K314 T315 V317 G364 D365 F366K314-R368 HydrophobicContact CB-CB 4.09Å; K314-R368 HydrophobicContact CD-CB 4.4Å; K314-R368 HydrophobicContact CD-CG 4.39Å; K314-R368 PolarHBondContact N-O 2.86Å; T315-R368 PolarHBondContact O-NH2 3.32Å; V317-R368 VanDerWaalsContact CG2-CD 3.48Å; G364-R368 PolarHBondContact O-N 3.37Å; D365-R368 HydrophobicContact CB-CB 3.99Å; D365-R368 WeakPolarHBondContact O-CB 3.38Å; D365-R368 WeakPolarHBondContact O-CD 3.48Å; D365-R368 WeakPolarHBondContact O-CG 3.4Å; D365-R368 PolarHBondContact O-N 2.96Å; D365-R368 VanDerWaalsContact OD2-CD 3.25Å; D365-R368 WeakPolarHBondContact OD2-CD 3.38Å; D365-R368 IonicContact OD2-NE 3.12Å; D365-R368 PolarHBondContact OD2-NE 2.8Å; F366-R368 VanDerWaalsContact C-N 3.31Å; F366-R368 PolarHBondContact O-N 3.49Å
369T98.2Very high96.9Very high0 Ų040.2 Ų40.20%023%0.225CC..EExtended strand (participates in β ladder)trans-121.4123.1169.5-66.60000110.1I311 E312 Q313 E360 F361 G364 N372I311-T369 HydrophobicContact CD1-CG2 4.19Å; E312-T369 WeakPolarHBondContact O-CA 3.47Å; Q313-T369 HydrophobicContact CG-CG2 3.85Å; Q313-T369 PolarHBondContact NE2-OG1 2.83Å; E360-T369 WeakPolarHBondContact O-CB 3.48Å; F361-T369 HydrophobicContact CD2-CG2 4.47Å; G364-T369 PolarHBondContact O-N 3.12Å; T369-N372 HydrophobicContact CG2-CB 4.29Å; T369-N372 PolarHBondContact O-ND2 2.83Å
370L96.8Very high96.9Very high91 Ų9141.9 Ų41.948%0.47625%0.245SC..EExtended strand (participates in β ladder)trans-138.5132.9179.8-68.3172000111.3E312 D375E312-L370 PolarHBondContact N-O 2.87Å; E312-L370 PolarHBondContact O-N 3.42Å; L370-D375 WeakPolarHBondContact CD2-OD2 3.5Å
371P96.6Very high96.9Very high65 Ų6542.1 Ų42.142%0.42225%0.246SC..SBendcis-64.3166.7-16.2-15.929.4000112.2M309M309-P371 HydrophobicContact CE-CB 3.84Å; M309-P371 HydrophobicContact CE-CG 3.48Å; M309-P371 VanDerWaalsContact CE-CG 3.48Å
372N97.5Very high96.9Very high2 Ų246.8 Ų46.81%0.01127%0.271CS..  trans-139.3166.5171.464.475.3000110.3F361 G364 T369 S374 D375 F376F361-N372 CarbonylContact O-C 3.53Å; F361-N372 VanDerWaalsContact O-CA 3.3Å; F361-N372 WeakPolarHBondContact O-CA 3.49Å; F361-N372 VanDerWaalsContact O-CB 3.24Å; F361-N372 WeakPolarHBondContact O-CB 3.32Å; G364-N372 WeakPolarHBondContact CA-ND2 2.9Å; T369-N372 HydrophobicContact CG2-CB 4.29Å; T369-N372 PolarHBondContact O-ND2 2.83Å; N372-S374 WeakPolarHBondContact OD1-CB 3.25Å; N372-S374 PolarHBondContact OD1-N 2.74Å; N372-S374 VanDerWaalsContact OD1-N 3.17Å; N372-D375 VanDerWaalsContact ND2-CG 3.25Å; N372-D375 PolarHBondContact ND2-OD2 2.97Å; N372-D375 PolarHBondContact OD1-N 3.5Å; N372-F376 WeakPolarHBondContact O-CB 3.39Å; N372-F376 PolarHBondContact O-N 2.74Å; N372-F376 VanDerWaalsContact O-N 3.14Å
373I97.7Very high96.8Very high1 Ų147.7 Ų47.71%0.00528%0.276CS..Hα-helixtrans-66.1-41-176-61.4-171.6000111.5L303 F346 I348 F361 V362 F376 L377L303-I373 HydrophobicContact CD1-CB 4.44Å; L303-I373 HydrophobicContact CD1-CD1 4.3Å; L303-I373 HydrophobicContact CD1-CG1 4.04Å; L303-I373 HydrophobicContact CD1-CG2 4Å; L303-I373 HydrophobicContact CD2-CD1 4.46Å; L303-I373 HydrophobicContact CD2-CG2 4.33Å; F346-I373 HydrophobicContact CE2-CG2 4.48Å; F346-I373 HydrophobicContact CZ-CG2 4.21Å; I348-I373 HydrophobicContact CD1-CD1 3.66Å; I348-I373 HydrophobicContact CG2-CD1 4.4Å; F361-I373 HydrophobicContact CD1-CD1 4.19Å; F361-I373 HydrophobicContact CD1-CG1 4.16Å; F361-I373 HydrophobicContact CE1-CD1 3.87Å; F361-I373 HydrophobicContact CE1-CG1 3.75Å; F361-I373 HydrophobicContact CZ-CG1 4.02Å; F361-I373 PolarHBondContact O-N 3.08Å; V362-I373 HydrophobicContact CG2-CD1 4.16Å; I373-F376 PolarHBondContact O-N 3.29Å; I373-L377 HydrophobicContact CG2-CD1 3.76Å; I373-L377 HydrophobicContact CG2-CG 4.11Å; I373-L377 WeakPolarHBondContact O-CG 3.48Å; I373-L377 PolarHBondContact O-N 3.39Å
374S97.5Very high96.7Very high17 Ų1748.6 Ų48.612%0.11929%0.285CS..Hα-helixtrans-60.8-48.2-179.2-172.30000112.3V362 N372 F376 L377 G378 I379 A380 V381V362-S374 PolarHBondContact O-N 3Å; N372-S374 WeakPolarHBondContact OD1-CB 3.25Å; N372-S374 PolarHBondContact OD1-N 2.74Å; N372-S374 VanDerWaalsContact OD1-N 3.17Å; S374-F376 VanDerWaalsContact C-N 3.29Å; S374-F376 PolarHBondContact O-N 2.81Å; S374-L377 PolarHBondContact O-N 3.15Å; S374-G378 PolarHBondContact O-N 3.27Å; S374-I379 CarbonylContact C-O 3.56Å; S374-I379 WeakPolarHBondContact CA-O 3.27Å; S374-I379 PolarHBondContact O-N 3.06Å; S374-I379 VanDerWaalsContact O-O 3.06Å; S374-I379 PolarHBondContact OG-O 3.27Å; S374-A380 VanDerWaalsContact OG-CA 3.27Å; S374-A380 WeakPolarHBondContact OG-CA 3.36Å; S374-V381 PolarHBondContact OG-N 2.97Å
375D95.6Very high96.7Very high97 Ų9752.2 Ų52.252%0.51930%0.301SS..Hα-helixtrans-62.4-39.3176-72.6-11.2000111.3L370 N372 G378L370-D375 WeakPolarHBondContact CD2-OD2 3.5Å; N372-D375 VanDerWaalsContact ND2-CG 3.25Å; N372-D375 PolarHBondContact ND2-OD2 2.97Å; N372-D375 PolarHBondContact OD1-N 3.5Å; D375-G378 PolarHBondContact O-N 3.01Å
376F94.8Very high96.7Very high76 Ų7652.4 Ų52.433%0.33330%0.303SS..Hα-helixtrans-65.9-43.5179.3175.3-98.7000113K302 L303 L306 N372 I373 S374 G378K302-F376 HydrophobicContact CB-CE1 4.18Å; K302-F376 HydrophobicContact CB-CZ 3.73Å; L303-F376 VanDerWaalsContact CA-CE1 3.49Å; L303-F376 HydrophobicContact CB-CD1 4.39Å; L303-F376 HydrophobicContact CB-CE1 3.88Å; L303-F376 HydrophobicContact CD1-CD1 3.78Å; L303-F376 HydrophobicContact CD1-CE1 4.08Å; L306-F376 HydrophobicContact CD1-CB 4.37Å; L306-F376 HydrophobicContact CD1-CD1 3.95Å; L306-F376 HydrophobicContact CD1-CD2 3.73Å; L306-F376 HydrophobicContact CD1-CE1 4.11Å; L306-F376 HydrophobicContact CD1-CE2 3.9Å; L306-F376 HydrophobicContact CD1-CG 3.73Å; L306-F376 HydrophobicContact CD1-CZ 4.04Å; L306-F376 HydrophobicContact CD2-CD2 3.76Å; L306-F376 HydrophobicContact CD2-CE2 3.41Å; L306-F376 VanDerWaalsContact CD2-CE2 3.41Å; L306-F376 HydrophobicContact CD2-CZ 3.99Å; L306-F376 HydrophobicContact CG-CD2 4.12Å; L306-F376 HydrophobicContact CG-CE1 4.38Å; L306-F376 HydrophobicContact CG-CE2 3.79Å; L306-F376 HydrophobicContact CG-CZ 3.89Å; N372-F376 WeakPolarHBondContact O-CB 3.39Å; N372-F376 PolarHBondContact O-N 2.74Å; N372-F376 VanDerWaalsContact O-N 3.14Å; I373-F376 PolarHBondContact O-N 3.29Å; S374-F376 VanDerWaalsContact C-N 3.29Å; S374-F376 PolarHBondContact O-N 2.81Å; F376-G378 PolarHBondContact O-N 3.41Å
377L95.3Very high96.7Very high11 Ų1144.1 Ų44.16%0.05827%0.267CS..Hα-helixtrans-75.3-16.3178.2-66.4-178.6000112.4V295 Q299 F346 I373 S374 I379 V381V295-L377 HydrophobicContact CG1-CD1 4.23Å; V295-L377 HydrophobicContact CG1-CD2 4.32Å; V295-L377 HydrophobicContact CG2-CD1 4.43Å; Q299-L377 HydrophobicContact CB-CD2 3.83Å; Q299-L377 PolarHBondContact NE2-O 2.94Å; F346-L377 HydrophobicContact CE1-CD1 4.21Å; F346-L377 HydrophobicContact CZ-CD1 3.8Å; I373-L377 HydrophobicContact CG2-CD1 3.76Å; I373-L377 HydrophobicContact CG2-CG 4.11Å; I373-L377 WeakPolarHBondContact O-CG 3.48Å; I373-L377 PolarHBondContact O-N 3.39Å; S374-L377 PolarHBondContact O-N 3.15Å; L377-I379 PolarHBondContact O-N 2.97Å; L377-V381 HydrophobicContact CD1-CG2 3.99Å
378G94.6Very high96.6Very high67 Ų6742.9 Ų42.969%0.69125%0.251SS*.THydrogen-bonded Turntrans69.917.7-174.700000113.2S374 D375 F376S374-G378 PolarHBondContact O-N 3.27Å; D375-G378 PolarHBondContact O-N 3.01Å; F376-G378 PolarHBondContact O-N 3.41Å
379I95.9Very high96.2Very high44 Ų4442.2 Ų42.223%0.22625%0.25CS..SBendtrans-136.2142.2-175.6-56.2172.5000107.4A291 A292 S374 L377 V381A291-I379 HydrophobicContact CB-CG2 4.15Å; A292-I379 HydrophobicContact CB-CG2 4.1Å; S374-I379 CarbonylContact C-O 3.56Å; S374-I379 WeakPolarHBondContact CA-O 3.27Å; S374-I379 PolarHBondContact O-N 3.06Å; S374-I379 VanDerWaalsContact O-O 3.06Å; S374-I379 PolarHBondContact OG-O 3.27Å; L377-I379 PolarHBondContact O-N 2.97Å; I379-V381 PolarHBondContact O-N 2.97Å
380A97.5Very high95Very high64 Ų6443.2 Ų43.253%0.52926%0.257SS..  trans-59.7127.3172.700000110.1A291 A292 S374A291-A380 CarbonylContact C-O 3.54Å; A291-A380 VanDerWaalsContact CA-O 3.31Å; A291-A380 WeakPolarHBondContact CA-O 3.31Å; A292-A380 HydrophobicContact CB-CB 3.95Å; A292-A380 PolarHBondContact N-O 2.68Å; S374-A380 VanDerWaalsContact OG-CA 3.27Å; S374-A380 WeakPolarHBondContact OG-CA 3.36Å
381V98Very high93Very high7 Ų744.6 Ų44.64%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-128.1136.2177.3-174.40000109.6C289 R290 A291 F346 V362 H363 S374 L377 I379C289-V381 HydrophobicContact CB-CG1 3.88Å; R290-V381 WeakPolarHBondContact O-CA 3.38Å; A291-V381 HydrophobicContact CB-CG2 4.15Å; F346-V381 HydrophobicContact CE1-CG1 4Å; F346-V381 HydrophobicContact CE1-CG2 4.47Å; F346-V381 HydrophobicContact CZ-CG1 3.78Å; F346-V381 HydrophobicContact CZ-CG2 4.39Å; V362-V381 HydrophobicContact CG1-CB 4.2Å; V362-V381 HydrophobicContact CG1-CG1 3.53Å; H363-V381 WeakPolarHBondContact CA-O 3.37Å; H363-V381 WeakPolarHBondContact CB-O 3.4Å; S374-V381 PolarHBondContact OG-N 2.97Å; L377-V381 HydrophobicContact CD1-CG2 3.99Å; I379-V381 PolarHBondContact O-N 2.97Å
382D97.5Very high90.8Very high99 Ų9950.4 Ų50.453%0.52928%0.279SS..EExtended strand (participates in β ladder)trans-117.9158.7170.5-153.8-3.8000111.4C289 R290C289-D382 WeakPolarHBondContact CA-O 3.38Å; R290-D382 PolarHBondContact N-O 2.9Å; R290-D382 PolarHBondContact O-N 3.36Å
383L97.4Very high88.5Confident20 Ų2053 Ų5311%0.10529%0.292CS..EExtended strand (participates in β ladder)trans-95.5116.6175.3-173.5150000109A287 I358 K359 V362 L386A287-L383 HydrophobicContact CB-CD1 3.78Å; A287-L383 HydrophobicContact CB-CG 4.24Å; I358-L383 HydrophobicContact CG2-CD1 4.21Å; K359-L383 HydrophobicContact CG-CD1 4.23Å; K359-L383 HydrophobicContact CG-CD2 4.36Å; V362-L383 HydrophobicContact CB-CB 4.37Å; V362-L383 HydrophobicContact CG1-CB 4.31Å; V362-L383 HydrophobicContact CG2-CB 4.48Å; V362-L383 HydrophobicContact CG2-CD1 4Å; L383-L386 HydrophobicContact CD1-CB 4.29Å; L383-L386 HydrophobicContact CD1-CD1 4.2Å; L383-L386 HydrophobicContact CD2-CB 3.8Å
384V96.7Very high86.3Confident75 Ų7554.6 Ų54.646%0.45530%0.301SS..EExtended strand (participates in β ladder)trans-84.9-49.9-179.4-173.80000110.6L288 R290L288-V384 HydrophobicContact CB-CB 4.4Å; L288-V384 HydrophobicContact CD2-CB 4.11Å; L288-V384 HydrophobicContact CD2-CG1 4.1Å; L288-V384 HydrophobicContact CG-CB 4.03Å; L288-V384 HydrophobicContact CG-CG2 4.4Å; L288-V384 PolarHBondContact O-N 3.09Å; R290-V384 HydrophobicContact CB-CG2 3.62Å
385E96.9Very high83.9Confident79 Ų7961.6 Ų61.637%0.36933%0.329SS..EExtended strand (participates in β ladder)trans-141.2146.4-178.3-67-160.1148.100111.3R170 A287 L288R170-E385 VanDerWaalsContact CZ-CD 3.42Å; R170-E385 IonicContact CZ-OE1 2.97Å; R170-E385 IonicContact CZ-OE2 3.81Å; R170-E385 IonicContact NE-OE1 3.24Å; R170-E385 PolarHBondContact NE-OE1 3.01Å; R170-E385 IonicContact NE-OE2 3.64Å; R170-E385 PolarHBondContact NE-OE2 2.77Å; R170-E385 VanDerWaalsContact NH2-CD 3.25Å; R170-E385 IonicContact NH2-OE1 3.65Å; R170-E385 IonicContact NH2-OE2 3.18Å; R170-E385 PolarHBondContact NH2-OE2 3.46Å; A287-E385 CarbonylContact C-O 3.48Å; A287-E385 WeakPolarHBondContact CA-O 2.97Å; L288-E385 HydrophobicContact CB-CB 4.13Å; L288-E385 PolarHBondContact N-O 2.99Å; L288-E385 PolarHBondContact O-N 3.23Å
386L97.4Very high81.6Confident11 Ų1163.7 Ų63.76%0.05833%0.334CS..EExtended strand (participates in β ladder)trans-136.2135.9178.5-178.168.4000110.7R170 V218 R219 Y285 A287 I358 L383R170-L386 PolarHBondContact NH1-O 2.92Å; V218-L386 WeakPolarHBondContact CA-O 3.43Å; V218-L386 HydrophobicContact CG1-CD2 4.45Å; V218-L386 HydrophobicContact CG1-CG 4.29Å; V218-L386 HydrophobicContact CG2-CB 4.14Å; V218-L386 HydrophobicContact CG2-CD2 3.9Å; V218-L386 HydrophobicContact CG2-CG 4.25Å; R219-L386 PolarHBondContact N-O 3.48Å; Y285-L386 HydrophobicContact CD1-CD1 4.04Å; Y285-L386 HydrophobicContact CD1-CD2 4.36Å; Y285-L386 HydrophobicContact CD1-CG 4.31Å; Y285-L386 HydrophobicContact CG-CD1 4.19Å; A287-L386 HydrophobicContact CB-CD1 3.81Å; I358-L386 HydrophobicContact CB-CD1 4.46Å; I358-L386 HydrophobicContact CB-CD2 4.23Å; I358-L386 HydrophobicContact CG2-CD1 3.9Å; I358-L386 HydrophobicContact CG2-CD2 4.48Å; L383-L386 HydrophobicContact CD1-CB 4.29Å; L383-L386 HydrophobicContact CD1-CD1 4.2Å; L383-L386 HydrophobicContact CD2-CB 3.8Å
387D96.3Very high79.5Confident13 Ų1361.5 Ų61.57%0.0733%0.33CS..EExtended strand (participates in β ladder)trans-128.9138.7175.3-58.8-22000109.8R170 R219 L221 Y285 V286R170-D387 IonicContact CZ-OD1 2.74Å; R170-D387 IonicContact NH1-OD1 2.69Å; R170-D387 PolarHBondContact NH1-OD1 2.91Å; R170-D387 VanDerWaalsContact NH1-OD1 3.14Å; R170-D387 IonicContact NH2-OD1 3.35Å; R170-D387 PolarHBondContact NH2-OD1 2.84Å; R170-D387 IonicContact NH2-OD2 2.67Å; R219-D387 HydrophobicContact CB-CB 4.4Å; R219-D387 WeakPolarHBondContact CB-OD1 3.43Å; R219-D387 IonicContact CZ-OD1 2.93Å; R219-D387 IonicContact CZ-OD2 2.84Å; R219-D387 IonicContact NE-OD1 3.34Å; R219-D387 PolarHBondContact NE-OD1 3.4Å; R219-D387 IonicContact NE-OD2 3.55Å; R219-D387 PolarHBondContact NE-OD2 3.47Å; R219-D387 IonicContact NH2-OD1 2.88Å; R219-D387 IonicContact NH2-OD2 2.79Å; R219-D387 PolarHBondContact NH2-OD2 3.25Å; L221-D387 HydrophobicContact CD1-CB 4.02Å; Y285-D387 CarbonylContact C-O 3.54Å; Y285-D387 WeakPolarHBondContact CA-O 3.23Å; V286-D387 PolarHBondContact N-O 3.34Å; V286-D387 PolarHBondContact O-N 3.32Å
388V93.8Very high77.4Confident13 Ų1365.8 Ų65.88%0.07935%0.348CS..EExtended strand (participates in β ladder)trans-86134.8167-173.40000108.7V218 R219 M220 L221 Y285V218-V388 HydrophobicContact CG1-CG2 3.81Å; R219-V388 PolarHBondContact O-N 3.45Å; M220-V388 HydrophobicContact CE-CB 3.6Å; M220-V388 HydrophobicContact CE-CG1 3.83Å; M220-V388 HydrophobicContact CE-CG2 3.54Å; M220-V388 HydrophobicContact SD-CB 3.67Å; M220-V388 HydrophobicContact SD-CG1 3.66Å; M220-V388 HydrophobicContact SD-CG2 4.31Å; L221-V388 WeakPolarHBondContact CA-O 3.36Å; L221-V388 WeakPolarHBondContact CB-O 3.37Å; L221-V388 PolarHBondContact N-O 2.88Å; Y285-V388 HydrophobicContact CD1-CG2 3.88Å; Y285-V388 HydrophobicContact CE1-CG2 3.77Å
389Q87.6Confident75.4Confident34 Ų3465 Ų6516%0.15933%0.33CS..EExtended strand (participates in β ladder)trans-127155.2-178.8-67.5-68-11.100111.5L221 T284 V286L221-Q389 VanDerWaalsContact CD1-NE2 3.33Å; T284-Q389 HydrophobicContact CG2-CB 4.49Å; T284-Q389 PolarHBondContact O-N 3.49Å; V286-Q389 HydrophobicContact CB-CG 4.48Å; V286-Q389 HydrophobicContact CG2-CG 3.86Å
390S72.9Confident73.1Confident21 Ų2165.5 Ų65.515%0.14734%0.337CS..  trans-92.6142.2165.859.50000110.4G222 N223 F392 N393G222-S390 WeakPolarHBondContact CA-OG 3.28Å; N223-S390 PolarHBondContact N-OG 2.8Å; N223-S390 VanDerWaalsContact N-OG 3.12Å; N223-S390 PolarHBondContact OD1-OG 3.29Å; S390-F392 PolarHBondContact O-N 3.27Å; S390-F392 VanDerWaalsContact O-N 3.11Å; S390-N393 PolarHBondContact O-N 3.33Å; S390-N393 VanDerWaalsContact O-N 3.11Å; S390-N393 PolarHBondContact OG-ND2 3.37Å
391F54.8Low70.9Confident120 Ų12064.7 Ų64.753%0.52632%0.324SS..G310 helixtrans-56-33.5-174.9-157-93.6000113.1N393 I394F391-N393 PolarHBondContact O-N 3Å; F391-I394 HydrophobicContact CB-CD1 4.34Å; F391-I394 HydrophobicContact CD1-CD1 4.39Å; F391-I394 HydrophobicContact CD2-CD1 3.56Å; F391-I394 HydrophobicContact CE2-CD1 3.87Å; F391-I394 HydrophobicContact CG-CD1 3.85Å; F391-I394 HydrophobicContact CZ-CD1 4.41Å; F391-I394 WeakPolarHBondContact O-CB 3.35Å; F391-I394 WeakPolarHBondContact O-CD1 3.45Å; F391-I394 WeakPolarHBondContact O-CG1 3.47Å; F391-I394 PolarHBondContact O-N 2.94Å
392F51.3Low68.6Low188 Ų18868.5 Ų68.583%0.82534%0.343SS*.G310 helixtrans-65.8-25-177.1-150-96.6000113.5S390S390-F392 PolarHBondContact O-N 3.27Å; S390-F392 VanDerWaalsContact O-N 3.11Å
393N49Very low66.2Low55 Ų5570.2 Ų70.229%0.29435%0.346SS..G310 helixtrans-89.8-0.9-179.2-84.7-48.5000114.4G222 S390 F391 F395 F396 A397G222-N393 WeakPolarHBondContact CA-ND2 3.49Å; S390-N393 PolarHBondContact O-N 3.33Å; S390-N393 VanDerWaalsContact O-N 3.11Å; S390-N393 PolarHBondContact OG-ND2 3.37Å; F391-N393 PolarHBondContact O-N 3Å; N393-F395 VanDerWaalsContact C-N 3.33Å; N393-F395 PolarHBondContact O-N 3.18Å; N393-F396 PolarHBondContact O-N 3.01Å; N393-A397 WeakPolarHBondContact O-CB 3.44Å; N393-A397 PolarHBondContact O-N 2.71Å
394I50.7Low63.9Low36 Ų3672 Ų7219%0.18536%0.363CS..Hα-helixtrans-62.3-39.8-176.2-68168.5000111.6T284 L349 F391 F396 A397 F398T284-I394 HydrophobicContact CG2-CD1 4.13Å; L349-I394 HydrophobicContact CD1-CD1 4.4Å; L349-I394 HydrophobicContact CD1-CG1 4.25Å; L349-I394 HydrophobicContact CD2-CB 4.44Å; L349-I394 HydrophobicContact CD2-CD1 4.2Å; L349-I394 HydrophobicContact CD2-CG1 4.16Å; L349-I394 HydrophobicContact CD2-CG2 3.48Å; L349-I394 VanDerWaalsContact CD2-CG2 3.48Å; F391-I394 HydrophobicContact CB-CD1 4.34Å; F391-I394 HydrophobicContact CD1-CD1 4.39Å; F391-I394 HydrophobicContact CD2-CD1 3.56Å; F391-I394 HydrophobicContact CE2-CD1 3.87Å; F391-I394 HydrophobicContact CG-CD1 3.85Å; F391-I394 HydrophobicContact CZ-CD1 4.41Å; F391-I394 WeakPolarHBondContact O-CB 3.35Å; F391-I394 WeakPolarHBondContact O-CD1 3.45Å; F391-I394 WeakPolarHBondContact O-CG1 3.47Å; F391-I394 PolarHBondContact O-N 2.94Å; I394-F396 VanDerWaalsContact C-N 3.34Å; I394-F396 PolarHBondContact O-N 3.41Å; I394-A397 PolarHBondContact O-N 3.41Å; I394-F398 VanDerWaalsContact O-CB 3.26Å; I394-F398 WeakPolarHBondContact O-CB 3.29Å; I394-F398 PolarHBondContact O-N 3.34Å
395F47.4Very low61.7Low164 Ų16472 Ų7272%0.71936%0.363SS*.Hα-helixtrans-66.5-38.9179.7-159.4-97.5000111.4N393 V399N393-F395 VanDerWaalsContact C-N 3.33Å; N393-F395 PolarHBondContact O-N 3.18Å; F395-V399 HydrophobicContact CD1-CG2 4.16Å; F395-V399 HydrophobicContact CE1-CG2 4.05Å; F395-V399 WeakPolarHBondContact O-CB 3.4Å; F395-V399 WeakPolarHBondContact O-CG2 3.47Å; F395-V399 PolarHBondContact O-N 3.46Å
396F47.8Very low59.4Low140 Ų14071.2 Ų71.261%0.61436%0.364SS*.Hα-helixtrans-72.5-40.9177.4-160.2-96.8000111.9N393 I394 F398 V399 C400N393-F396 PolarHBondContact O-N 3.01Å; I394-F396 VanDerWaalsContact C-N 3.34Å; I394-F396 PolarHBondContact O-N 3.41Å; F396-F398 VanDerWaalsContact C-N 3.34Å; F396-F398 PolarHBondContact O-N 2.94Å; F396-V399 PolarHBondContact O-N 3.39Å; F396-C400 VanDerWaalsContact CD1-SG 3.59Å; F396-C400 WeakPolarHBondContact CE1-SG 3.44Å; F396-C400 VanDerWaalsContact O-CB 3.31Å; F396-C400 WeakPolarHBondContact O-CB 3.3Å; F396-C400 PolarHBondContact O-N 2.98Å; F396-C400 PolarHBondContact O-SG 3.26Å; F396-C400 VanDerWaalsContact O-SG 3.41Å
397A50.5Low57Low31 Ų3174.9 Ų74.926%0.25638%0.384SS..Hα-helixtrans-61.3-43.2174.600000111.3N393 I394 C400 L401N393-A397 WeakPolarHBondContact O-CB 3.44Å; N393-A397 PolarHBondContact O-N 2.71Å; I394-A397 PolarHBondContact O-N 3.41Å; A397-C400 PolarHBondContact O-N 2.94Å; A397-L401 WeakPolarHBondContact O-CB 3.22Å; A397-L401 WeakPolarHBondContact O-CD1 3.35Å; A397-L401 PolarHBondContact O-N 3.47Å
398F51.7Low54.6Low100 Ų10077.8 Ų77.844%0.43940%0.398SS..Hα-helixtrans-63.9-43.3176.1-163.8-104.8000111.6I394 F396 L401 L402I394-F398 VanDerWaalsContact O-CB 3.26Å; I394-F398 WeakPolarHBondContact O-CB 3.29Å; I394-F398 PolarHBondContact O-N 3.34Å; F396-F398 VanDerWaalsContact C-N 3.34Å; F396-F398 PolarHBondContact O-N 2.94Å; F398-L401 PolarHBondContact O-N 3.48Å; F398-L402 HydrophobicContact CD1-CD1 3.47Å; F398-L402 VanDerWaalsContact CD1-CD1 3.47Å; F398-L402 HydrophobicContact CE1-CD1 3.35Å; F398-L402 HydrophobicContact CE1-CG 4.36Å; F398-L402 HydrophobicContact CG-CD1 4.36Å; F398-L402 HydrophobicContact CZ-CD1 4.14Å; F398-L402 VanDerWaalsContact O-CB 3.32Å; F398-L402 WeakPolarHBondContact O-CB 3.27Å; F398-L402 PolarHBondContact O-N 3.32Å
399V51.3Low52.5Low50 Ų5083.2 Ų83.230%0.30342%0.422SS..Hα-helixtrans-65.6-37.9174.5170.50000112.1F395 F396 K403F395-V399 HydrophobicContact CD1-CG2 4.16Å; F395-V399 HydrophobicContact CE1-CG2 4.05Å; F395-V399 WeakPolarHBondContact O-CB 3.4Å; F395-V399 WeakPolarHBondContact O-CG2 3.47Å; F395-V399 PolarHBondContact O-N 3.46Å; F396-V399 PolarHBondContact O-N 3.39Å; V399-K403 WeakPolarHBondContact O-CB 3.4Å; V399-K403 WeakPolarHBondContact O-CG 3.33Å; V399-K403 PolarHBondContact O-N 3.08Å
400C48.2Very low50.2Low56 Ų5685.5 Ų85.538%0.37844%0.435SS..Hα-helixtrans-69.6-39.6176-79.70000112.2F396 A397 K403 A404F396-C400 VanDerWaalsContact CD1-SG 3.59Å; F396-C400 WeakPolarHBondContact CE1-SG 3.44Å; F396-C400 VanDerWaalsContact O-CB 3.31Å; F396-C400 WeakPolarHBondContact O-CB 3.3Å; F396-C400 PolarHBondContact O-N 2.98Å; F396-C400 PolarHBondContact O-SG 3.26Å; F396-C400 VanDerWaalsContact O-SG 3.41Å; A397-C400 PolarHBondContact O-N 2.94Å; C400-K403 PolarHBondContact O-N 3.32Å; C400-A404 WeakPolarHBondContact O-CB 3.39Å; C400-A404 PolarHBondContact O-N 2.74Å
401L51.4Low48.3Very low47 Ų4789.6 Ų89.625%0.24645%0.454CS..Hα-helixtrans-65.4-45.3173.2-95.4136.5000111W338 F347 A397 F398 K403 A404 V405W338-L401 HydrophobicContact CZ2-CD1 3.77Å; W338-L401 HydrophobicContact CZ2-CD2 4.22Å; F347-L401 HydrophobicContact CD2-CD2 4.46Å; F347-L401 HydrophobicContact CE2-CD2 4.31Å; A397-L401 WeakPolarHBondContact O-CB 3.22Å; A397-L401 WeakPolarHBondContact O-CD1 3.35Å; A397-L401 PolarHBondContact O-N 3.47Å; F398-L401 PolarHBondContact O-N 3.48Å; L401-K403 PolarHBondContact O-N 3.25Å; L401-A404 PolarHBondContact O-N 3.07Å; L401-V405 VanDerWaalsContact O-CG2 3.3Å; L401-V405 WeakPolarHBondContact O-CG2 3.46Å; L401-V405 PolarHBondContact O-N 2.84Å
402L49.9Very low47.6Very low87 Ų8791.8 Ų91.846%0.45546%0.459SS..Hα-helixtrans-58.8-45.4172.2-88.1158.3000111.5F398 A404 V405 V406F398-L402 HydrophobicContact CD1-CD1 3.47Å; F398-L402 VanDerWaalsContact CD1-CD1 3.47Å; F398-L402 HydrophobicContact CE1-CD1 3.35Å; F398-L402 HydrophobicContact CE1-CG 4.36Å; F398-L402 HydrophobicContact CG-CD1 4.36Å; F398-L402 HydrophobicContact CZ-CD1 4.14Å; F398-L402 VanDerWaalsContact O-CB 3.32Å; F398-L402 WeakPolarHBondContact O-CB 3.27Å; F398-L402 PolarHBondContact O-N 3.32Å; L402-A404 PolarHBondContact O-N 2.98Å; L402-V405 PolarHBondContact O-N 3.37Å; L402-V406 VanDerWaalsContact O-CB 3.31Å; L402-V406 WeakPolarHBondContact O-CB 3.49Å; L402-V406 WeakPolarHBondContact O-CG2 3.38Å; L402-V406 PolarHBondContact O-N 3.34Å
403K48.1Very low47.4Very low134 Ų13485.8 Ų85.858%0.58344%0.44SS*.Hα-helixtrans-61.3-43.8175.1-87.2-173.5173.4-1750112V399 C400 L401 V405 V406 D407V399-K403 WeakPolarHBondContact O-CB 3.4Å; V399-K403 WeakPolarHBondContact O-CG 3.33Å; V399-K403 PolarHBondContact O-N 3.08Å; C400-K403 PolarHBondContact O-N 3.32Å; L401-K403 PolarHBondContact O-N 3.25Å; K403-V405 VanDerWaalsContact C-N 3.3Å; K403-V405 PolarHBondContact O-N 3.29Å; K403-V406 PolarHBondContact O-N 3.36Å; K403-D407 WeakPolarHBondContact O-CB 3.18Å; K403-D407 PolarHBondContact O-N 2.96Å
404A48.5Very low47Very low57 Ų5788.8 Ų88.847%0.47146%0.456SS..Hα-helixtrans-63.7-37.3178.400000112.2C400 L401 L402 M408C400-A404 WeakPolarHBondContact O-CB 3.39Å; C400-A404 PolarHBondContact O-N 2.74Å; L401-A404 PolarHBondContact O-N 3.07Å; L402-A404 PolarHBondContact O-N 2.98Å; A404-M408 VanDerWaalsContact O-CB 3.32Å; A404-M408 WeakPolarHBondContact O-CB 3.41Å; A404-M408 VanDerWaalsContact O-CG 3.25Å; A404-M408 WeakPolarHBondContact O-CG 3.42Å; A404-M408 PolarHBondContact O-N 2.7Å; A404-M408 VanDerWaalsContact O-N 3.11Å
405V50.7Low46.6Very low75 Ų7591.9 Ų91.946%0.45548%0.48SS..Hα-helixtrans-69.2-46.7174.6173.50000110.8L401 L402 K403 M408 E409L401-V405 VanDerWaalsContact O-CG2 3.3Å; L401-V405 WeakPolarHBondContact O-CG2 3.46Å; L401-V405 PolarHBondContact O-N 2.84Å; L402-V405 PolarHBondContact O-N 3.37Å; K403-V405 VanDerWaalsContact C-N 3.3Å; K403-V405 PolarHBondContact O-N 3.29Å; V405-M408 WeakPolarHBondContact O-CB 3.48Å; V405-M408 PolarHBondContact O-N 2.98Å; V405-E409 PolarHBondContact O-N 3.17Å
406V49.1Very low46.6Very low64 Ų6489.2 Ų89.239%0.38848%0.477SS..Hα-helixtrans-65.8-41.8178.8172.20000111.5L402 K403 M408 E409 I410L402-V406 VanDerWaalsContact O-CB 3.31Å; L402-V406 WeakPolarHBondContact O-CB 3.49Å; L402-V406 WeakPolarHBondContact O-CG2 3.38Å; L402-V406 PolarHBondContact O-N 3.34Å; K403-V406 PolarHBondContact O-N 3.36Å; V406-M408 VanDerWaalsContact C-N 3.32Å; V406-M408 PolarHBondContact O-N 3.19Å; V406-E409 PolarHBondContact O-N 2.99Å; V406-I410 HydrophobicContact CG1-CD1 3.73Å; V406-I410 HydrophobicContact CG1-CG1 4.32Å; V406-I410 WeakPolarHBondContact O-CB 3.4Å; V406-I410 VanDerWaalsContact O-CG1 3.26Å; V406-I410 WeakPolarHBondContact O-CG1 3.45Å; V406-I410 PolarHBondContact O-N 2.71Å
407D45.9Very low46.3Very low88 Ų8888 Ų8847%0.47148%0.481SS..Hα-helixtrans-65.3-36.7177.1-72.6-24.4000110.8K403 I410 L411K403-D407 WeakPolarHBondContact O-CB 3.18Å; K403-D407 PolarHBondContact O-N 2.96Å; D407-I410 PolarHBondContact O-N 3.35Å; D407-L411 WeakPolarHBondContact O-CB 3.32Å; D407-L411 PolarHBondContact O-N 3.28Å
408M46.7Very low45.5Very low74 Ų7495.8 Ų95.837%0.36551%0.509SS..Hα-helixtrans-65.8-39.9171.9-83.6-84.8-78.700112.5A404 V405 V406 R412A404-M408 VanDerWaalsContact O-CB 3.32Å; A404-M408 WeakPolarHBondContact O-CB 3.41Å; A404-M408 VanDerWaalsContact O-CG 3.25Å; A404-M408 WeakPolarHBondContact O-CG 3.42Å; A404-M408 PolarHBondContact O-N 2.7Å; A404-M408 VanDerWaalsContact O-N 3.11Å; V405-M408 WeakPolarHBondContact O-CB 3.48Å; V405-M408 PolarHBondContact O-N 2.98Å; V406-M408 VanDerWaalsContact C-N 3.32Å; V406-M408 PolarHBondContact O-N 3.19Å; M408-R412 WeakPolarHBondContact O-CB 3.41Å; M408-R412 WeakPolarHBondContact O-CG 3.43Å; M408-R412 PolarHBondContact O-N 3.32Å
409E48.1Very low44.8Very low127 Ų127101 Ų10159%0.59355%0.548SS*.Hα-helixtrans-67.2-41.5174.2-76.9-174.8163.500112.1V405 V406 R412 S413V405-E409 PolarHBondContact O-N 3.17Å; V406-E409 PolarHBondContact O-N 2.99Å; E409-R412 PolarHBondContact O-N 2.96Å; E409-S413 PolarHBondContact O-N 2.93Å
410I39.7Very low44.5Very low81 Ų81103.5 Ų103.542%0.41556%0.561SS.*Hα-helixtrans-62.4-46.5175.4-69.1168000110.2V406 D407 R412 S413 L414V406-I410 HydrophobicContact CG1-CD1 3.73Å; V406-I410 HydrophobicContact CG1-CG1 4.32Å; V406-I410 WeakPolarHBondContact O-CB 3.4Å; V406-I410 VanDerWaalsContact O-CG1 3.26Å; V406-I410 WeakPolarHBondContact O-CG1 3.45Å; V406-I410 PolarHBondContact O-N 2.71Å; D407-I410 PolarHBondContact O-N 3.35Å; I410-R412 VanDerWaalsContact C-N 3.35Å; I410-R412 PolarHBondContact O-N 3.49Å; I410-S413 PolarHBondContact O-N 3.43Å; I410-S413 PolarHBondContact O-OG 2.91Å; I410-L414 HydrophobicContact CG2-CD1 3.9Å; I410-L414 WeakPolarHBondContact O-CG 3.45Å; I410-L414 PolarHBondContact O-N 3.27Å
411L32.7Very low44.3Very low107 Ų107106 Ų10656%0.5657%0.57SS**Hα-helixtrans-60.3-41.1174.7-92.9153.1000112.5D407 L414 C415D407-L411 WeakPolarHBondContact O-CB 3.32Å; D407-L411 PolarHBondContact O-N 3.28Å; L411-L414 PolarHBondContact O-N 3.02Å; L411-C415 PolarHBondContact O-N 3.03Å; L411-C415 PolarHBondContact O-SG 2.8Å
412R41.9Very low43.9Very low166 Ų166109.3 Ų109.363%0.62659%0.588SS**Hα-helixtrans-63.8-40.9175.3-79.3179.5178.1-179.90.3112M408 E409 I410 C415 T416M408-R412 WeakPolarHBondContact O-CB 3.41Å; M408-R412 WeakPolarHBondContact O-CG 3.43Å; M408-R412 PolarHBondContact O-N 3.32Å; E409-R412 PolarHBondContact O-N 2.96Å; I410-R412 VanDerWaalsContact C-N 3.35Å; I410-R412 PolarHBondContact O-N 3.49Å; R412-C415 PolarHBondContact O-N 3.46Å; R412-T416 PolarHBondContact O-N 3.3Å; R412-T416 PolarHBondContact O-OG1 3.18Å
413S47Very low43.6Very low62 Ų62110.6 Ų110.643%0.43460%0.596SS.*Hα-helixtrans-69.6-30.417774.50000113.6E409 I410 T416E409-S413 PolarHBondContact O-N 2.93Å; I410-S413 PolarHBondContact O-N 3.43Å; I410-S413 PolarHBondContact O-OG 2.91Å; S413-T416 PolarHBondContact O-OG1 3Å
414L40.1Very low43.3Very low119 Ų119109.1 Ų109.162%0.62360%0.597SS**Hα-helixtrans-75.6-32.4175.1-76.2165000112I410 L411 T416 V417I410-L414 HydrophobicContact CG2-CD1 3.9Å; I410-L414 WeakPolarHBondContact O-CG 3.45Å; I410-L414 PolarHBondContact O-N 3.27Å; L411-L414 PolarHBondContact O-N 3.02Å; L414-T416 VanDerWaalsContact C-N 3.29Å; L414-T416 PolarHBondContact O-N 3.42Å; L414-V417 PolarHBondContact O-N 3.43Å
415C42.3Very low42.9Very low101 Ų101112.6 Ų112.668%0.68261%0.605SS**Hα-helixtrans-71.4-21.2174.8-76.60000113.5L411 R412L411-C415 PolarHBondContact O-N 3.03Å; L411-C415 PolarHBondContact O-SG 2.8Å; R412-C415 PolarHBondContact O-N 3.46Å
416T46.4Very low42.4Very low108 Ų108115.3 Ų115.366%0.66362%0.616SS**THydrogen-bonded Turntrans-85.9-2.6175.443.40000114.4R412 S413 L414R412-T416 PolarHBondContact O-N 3.3Å; R412-T416 PolarHBondContact O-OG1 3.18Å; S413-T416 PolarHBondContact O-OG1 3Å; L414-T416 VanDerWaalsContact C-N 3.29Å; L414-T416 PolarHBondContact O-N 3.42Å
417V41.8Very low41.9Very low115 Ų115119.2 Ų119.270%0.69763%0.633SS**THydrogen-bonded Turntrans-107.932.7177.1-167.80000112.3L414L414-V417 PolarHBondContact O-N 3.43Å
418K33.6Very low41.5Very low193 Ų193121.8 Ų121.884%0.83965%0.647SS**  trans-129.671.7161.6-80.3-171.8176.5178.40110.5
419V38.2Very low41.1Very low209 Ų209126.2 Ų126.2100%1.26767%0.673SS**  trans-127.20149.8-172.30000105.2

Retrieved 419 of 419 residues in 597.1 ms (Link to these results)

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