A0A077Z4V4_TRITR Loading...

3'(2'),5'-bisphosphate nucleotidase 1

AlphaFold DB , UniProt , Accession A0A077Z4V4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 317 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
1M48.4Very low78.1Confident228 Ų22894.2 Ų94.2100%1.12348%0.476SS*.  024.60-137.5-178.1-76.100112.1
2T65.5Low79.7Confident120 Ų12089.6 Ų89.674%0.73646%0.457SS*.  trans-119.6-39.3-158.935.30000113.4A6T2-A6 PolarHBondContact O-N 2.58Å
3A64.6Low81.1Confident27 Ų2782.7 Ų82.722%0.22342%0.422CS..Hα-helixtrans-76.6-46.5-173.400000115R5 A6 W7 Y95A3-R5 PolarHBondContact O-N 2.85Å; A3-A6 WeakPolarHBondContact O-CB 3.27Å; A3-A6 PolarHBondContact O-N 2.9Å; A3-A6 VanDerWaalsContact O-N 3.1Å; A3-W7 PolarHBondContact O-N 3.39Å; A3-Y95 HydrophobicContact CB-CE2 4.07Å; A3-Y95 VanDerWaalsContact CB-OH 3.26Å; A3-Y95 WeakPolarHBondContact CB-OH 3.49Å
4K69.1Low82.3Confident180 Ų18076.8 Ų76.878%0.78339%0.392SS*.Hα-helixtrans-59.6-32.7177.5-75.9-170.6175.8-174.80112.9S8K4-S8 PolarHBondContact O-N 2.86Å; K4-S8 VanDerWaalsContact O-N 3.11Å; K4-S8 PolarHBondContact O-OG 3.44Å
5R66.2Low83.4Confident170 Ų17074.3 Ų74.364%0.64238%0.377SS*.Hα-helixtrans-68.8-45.8175.9-171.3175.1179.9179.50.5110.7A3 W7 S8 Q9A3-R5 PolarHBondContact O-N 2.85Å; R5-W7 PolarHBondContact O-N 3.19Å; R5-S8 PolarHBondContact O-N 2.81Å; R5-S8 PolarHBondContact O-OG 3.32Å; R5-Q9 WeakPolarHBondContact O-CG 3.21Å; R5-Q9 PolarHBondContact O-N 3.45Å
6A82.3Confident84.3Confident32 Ų3269.7 Ų69.726%0.26435%0.354SS..Hα-helixtrans-57.1-48.1174.400000111.4T2 A3 S8 Q9 C10 L100T2-A6 PolarHBondContact O-N 2.58Å; A3-A6 WeakPolarHBondContact O-CB 3.27Å; A3-A6 PolarHBondContact O-N 2.9Å; A3-A6 VanDerWaalsContact O-N 3.1Å; A6-S8 PolarHBondContact O-N 3.5Å; A6-Q9 PolarHBondContact O-N 3.15Å; A6-C10 PolarHBondContact O-N 2.76Å; A6-C10 PolarHBondContact O-SG 2.83Å; A6-L100 HydrophobicContact CB-CD1 4.26Å
7W90.6Very high85.1Confident63 Ų6365.6 Ų65.624%0.23933%0.333CS..Hα-helixtrans-53.8-53.1175.6177.4-92.6000111.6A3 R5 Q9 C10 K15 S19 F69 Y95 L100A3-W7 PolarHBondContact O-N 3.39Å; R5-W7 PolarHBondContact O-N 3.19Å; W7-Q9 PolarHBondContact O-N 3.26Å; W7-Q9 VanDerWaalsContact O-N 3.08Å; W7-C10 PolarHBondContact O-N 3.39Å; W7-C10 VanDerWaalsContact O-N 3.17Å; W7-K15 HydrophobicContact CD2-CG 4.13Å; W7-K15 HydrophobicContact CE3-CG 4.17Å; W7-K15 HydrophobicContact CH2-CB 3.66Å; W7-K15 HydrophobicContact CH2-CG 4Å; W7-K15 HydrophobicContact CZ2-CB 3.95Å; W7-K15 HydrophobicContact CZ2-CD 4.11Å; W7-K15 HydrophobicContact CZ2-CG 3.96Å; W7-K15 HydrophobicContact CZ3-CB 3.99Å; W7-K15 HydrophobicContact CZ3-CG 4.1Å; W7-K15 WeakPolarHBondContact O-CE 3.34Å; W7-K15 PolarHBondContact O-NZ 3.07Å; W7-S19 VanDerWaalsContact CH2-OG 3.28Å; W7-S19 WeakPolarHBondContact CH2-OG 3.43Å; W7-F69 HydrophobicContact CH2-CE1 4.2Å; W7-F69 AromaticContact CH2-CZ 3.93Å; W7-F69 HydrophobicContact CH2-CZ 3.93Å; W7-F69 HydrophobicContact CZ2-CE1 4.26Å; W7-F69 HydrophobicContact CZ2-CZ 4.4Å; W7-Y95 AromaticContact CE3-CD1 3.91Å; W7-Y95 HydrophobicContact CE3-CD1 3.91Å; W7-Y95 HydrophobicContact CE3-CD2 4.46Å; W7-Y95 AromaticContact CE3-CG 3.86Å; W7-Y95 HydrophobicContact CE3-CG 3.86Å; W7-Y95 HydrophobicContact CZ3-CD1 4.25Å; W7-Y95 HydrophobicContact CZ3-CG 4.12Å; W7-L100 HydrophobicContact CB-CD1 4.36Å; W7-L100 HydrophobicContact CE3-CD1 4.4Å; W7-L100 HydrophobicContact CE3-CD2 4.03Å
8S90.2Very high85.9Confident77 Ų7761.9 Ų61.954%0.53831%0.314SS..Hα-helixtrans-59.1-27.2-176.465.10000114.3K4 R5 A6K4-S8 PolarHBondContact O-N 2.86Å; K4-S8 VanDerWaalsContact O-N 3.11Å; K4-S8 PolarHBondContact O-OG 3.44Å; R5-S8 PolarHBondContact O-N 2.81Å; R5-S8 PolarHBondContact O-OG 3.32Å; A6-S8 PolarHBondContact O-N 3.5Å
9Q91Very high86.5Confident123 Ų12358.8 Ų58.858%0.57530%0.299SS*.Hα-helixtrans-87.7-15.9-176.5-69176.1-23.400114R5 A6 W7R5-Q9 WeakPolarHBondContact O-CG 3.21Å; R5-Q9 PolarHBondContact O-N 3.45Å; A6-Q9 PolarHBondContact O-N 3.15Å; W7-Q9 PolarHBondContact O-N 3.26Å; W7-Q9 VanDerWaalsContact O-N 3.08Å
10C95.4Very high87.1Confident7 Ų755.9 Ų55.95%0.04728%0.284CS..SBendtrans-79.2149.9-177.1-64.70000112.7A6 W7 V14 K15 L100 E103A6-C10 PolarHBondContact O-N 2.76Å; A6-C10 PolarHBondContact O-SG 2.83Å; W7-C10 PolarHBondContact O-N 3.39Å; W7-C10 VanDerWaalsContact O-N 3.17Å; C10-V14 HydrophobicContact CB-CB 4.12Å; C10-V14 HydrophobicContact CB-CG1 3.84Å; C10-K15 HydrophobicContact CB-CG 4.05Å; C10-K15 WeakPolarHBondContact O-CE 3.48Å; C10-K15 PolarHBondContact O-NZ 3.24Å; C10-L100 HydrophobicContact CB-CD2 4.33Å; C10-E103 VanDerWaalsContact CA-OE2 3.23Å; C10-E103 WeakPolarHBondContact CA-OE2 3.36Å; C10-E103 HydrophobicContact CB-CG 4.48Å; C10-E103 WeakPolarHBondContact CB-OE2 3.45Å
11C96.2Very high87.7Confident9 Ų953.3 Ų53.36%0.06127%0.271CS..  trans-67.5162.1172.7800000111.5L13 V14 K15 E103 K111C11-L13 VanDerWaalsContact C-N 3.31Å; C11-L13 PolarHBondContact O-N 3.18Å; C11-V14 PolarHBondContact O-N 3.28Å; C11-K15 WeakPolarHBondContact O-CG 3.46Å; C11-K15 PolarHBondContact O-N 3.3Å; C11-K15 VanDerWaalsContact O-N 3.11Å; C11-E103 PolarHBondContact N-OE1 3.01Å; C11-E103 PolarHBondContact N-OE2 3.11Å; C11-K111 WeakPolarHBondContact CB-O 3.49Å
12P97.2Very high90Very high39 Ų3942.9 Ų42.925%0.25322%0.221SC..Hα-helixtrans-52.7-42.6177.1-31.138.7000114.6V14 K15 V16 A113 L115P12-V14 PolarHBondContact O-N 2.87Å; P12-K15 PolarHBondContact O-N 2.88Å; P12-V16 VanDerWaalsContact O-CG2 3.3Å; P12-V16 WeakPolarHBondContact O-CG2 3.26Å; P12-V16 PolarHBondContact O-N 3.41Å; P12-A113 WeakPolarHBondContact CD-O 3.36Å; P12-A113 VanDerWaalsContact CG-O 3.3Å; P12-A113 WeakPolarHBondContact CG-O 3.15Å; P12-L115 HydrophobicContact CB-CD2 3.8Å; P12-L115 HydrophobicContact CB-CG 3.93Å; P12-L115 HydrophobicContact CG-CG 4.46Å
13L98.1Very high91.6Very high0 Ų037.2 Ų37.20%019%0.186CC..Hα-helixtrans-60.9-46.8-179.9173.561.3000112.4C11 K15 V16 L17 L110 A113 L118 V150 V157 A158 L183C11-L13 VanDerWaalsContact C-N 3.31Å; C11-L13 PolarHBondContact O-N 3.18Å; L13-K15 VanDerWaalsContact C-N 3.34Å; L13-K15 PolarHBondContact O-N 3.33Å; L13-V16 PolarHBondContact O-N 2.85Å; L13-L17 PolarHBondContact O-N 2.82Å; L13-L110 HydrophobicContact CD2-CB 3.94Å; L13-L110 HydrophobicContact CD2-CD2 4.08Å; L13-L110 HydrophobicContact CD2-CG 4.48Å; L13-A113 HydrophobicContact CB-CB 4.12Å; L13-L118 HydrophobicContact CB-CD1 4.35Å; L13-L118 HydrophobicContact CD1-CD1 4.49Å; L13-L118 HydrophobicContact CD1-CD2 4.16Å; L13-V150 HydrophobicContact CD1-CG1 3.98Å; L13-V157 HydrophobicContact CD1-CG2 3.64Å; L13-V157 HydrophobicContact CD2-CB 4.46Å; L13-V157 HydrophobicContact CD2-CG2 4.16Å; L13-A158 HydrophobicContact CD1-CB 4.37Å; L13-L183 HydrophobicContact CD1-CD1 4.45Å; L13-L183 HydrophobicContact CD2-CD1 3.89Å; L13-L183 HydrophobicContact CG-CD1 4.01Å
14V97.7Very high93.2Very high0 Ų036 Ų360%018%0.176CC..Hα-helixtrans-64.8-40.1179.1170.30000110.8C10 C11 P12 S18 V99 L100 E103 I106 L183C10-V14 HydrophobicContact CB-CB 4.12Å; C10-V14 HydrophobicContact CB-CG1 3.84Å; C11-V14 PolarHBondContact O-N 3.28Å; P12-V14 PolarHBondContact O-N 2.87Å; V14-S18 WeakPolarHBondContact O-CB 3.44Å; V14-S18 PolarHBondContact O-N 3.07Å; V14-V99 HydrophobicContact CG1-CG1 4.26Å; V14-L100 HydrophobicContact CG1-CD2 4.17Å; V14-E103 WeakPolarHBondContact CG2-OE2 3.5Å; V14-I106 HydrophobicContact CG2-CD1 3.59Å; V14-L183 HydrophobicContact CG2-CD2 4.12Å
15K97.9Very high94.5Very high40 Ų4031 Ų3117%0.17416%0.156CC..Hα-helixtrans-61.4-48.1174.1-72169.9171.5150.60111.9W7 C10 C11 P12 L13 S18 S19 F69W7-K15 HydrophobicContact CD2-CG 4.13Å; W7-K15 HydrophobicContact CE3-CG 4.17Å; W7-K15 HydrophobicContact CH2-CB 3.66Å; W7-K15 HydrophobicContact CH2-CG 4Å; W7-K15 HydrophobicContact CZ2-CB 3.95Å; W7-K15 HydrophobicContact CZ2-CD 4.11Å; W7-K15 HydrophobicContact CZ2-CG 3.96Å; W7-K15 HydrophobicContact CZ3-CB 3.99Å; W7-K15 HydrophobicContact CZ3-CG 4.1Å; W7-K15 WeakPolarHBondContact O-CE 3.34Å; W7-K15 PolarHBondContact O-NZ 3.07Å; C10-K15 HydrophobicContact CB-CG 4.05Å; C10-K15 WeakPolarHBondContact O-CE 3.48Å; C10-K15 PolarHBondContact O-NZ 3.24Å; C11-K15 WeakPolarHBondContact O-CG 3.46Å; C11-K15 PolarHBondContact O-N 3.3Å; C11-K15 VanDerWaalsContact O-N 3.11Å; P12-K15 PolarHBondContact O-N 2.88Å; L13-K15 VanDerWaalsContact C-N 3.34Å; L13-K15 PolarHBondContact O-N 3.33Å; K15-S18 PolarHBondContact O-N 3.23Å; K15-S19 PolarHBondContact O-N 3.27Å; K15-S19 PolarHBondContact O-OG 3.41Å; K15-F69 HydrophobicContact CB-CE1 3.88Å; K15-F69 HydrophobicContact CB-CZ 4.22Å
16V98.4Very high96Very high0 Ų025.5 Ų25.50%014%0.135CC..Hα-helixtrans-60.3-48179.3170.70000110.7P12 L13 S18 S19 S20 F69 L73 L115 L118 V120 V150P12-V16 VanDerWaalsContact O-CG2 3.3Å; P12-V16 WeakPolarHBondContact O-CG2 3.26Å; P12-V16 PolarHBondContact O-N 3.41Å; L13-V16 PolarHBondContact O-N 2.85Å; V16-S18 PolarHBondContact O-N 3.5Å; V16-S19 PolarHBondContact O-N 2.82Å; V16-S20 WeakPolarHBondContact O-CB 3.2Å; V16-S20 PolarHBondContact O-N 2.93Å; V16-S20 PolarHBondContact O-OG 3.48Å; V16-F69 HydrophobicContact CB-CE2 4.48Å; V16-F69 HydrophobicContact CB-CZ 4.29Å; V16-F69 HydrophobicContact CG2-CD1 3.99Å; V16-F69 HydrophobicContact CG2-CD2 4.19Å; V16-F69 HydrophobicContact CG2-CE1 3.77Å; V16-F69 HydrophobicContact CG2-CE2 3.99Å; V16-F69 HydrophobicContact CG2-CG 4.2Å; V16-F69 HydrophobicContact CG2-CZ 3.78Å; V16-L73 HydrophobicContact CG1-CD2 4.32Å; V16-L73 HydrophobicContact CG2-CD1 4.15Å; V16-L73 HydrophobicContact CG2-CD2 4.03Å; V16-L115 HydrophobicContact CG2-CD2 3.94Å; V16-L118 HydrophobicContact CB-CD1 4.48Å; V16-L118 HydrophobicContact CG2-CD1 4.1Å; V16-V120 HydrophobicContact CG1-CG2 3.98Å; V16-V150 HydrophobicContact CG1-CG1 4.21Å; V16-V150 HydrophobicContact CG1-CG2 3.96Å
17L98.5Very high96.7Very high0 Ų024 Ų240%012%0.122CC..Hα-helixtrans-62.3-43.1175.817559.2000112L13 S19 S20 V21 V99 A158 V160 W181 L183L13-L17 PolarHBondContact O-N 2.82Å; L17-S19 VanDerWaalsContact C-N 3.35Å; L17-S19 PolarHBondContact O-N 2.76Å; L17-S20 WeakPolarHBondContact O-CB 3.49Å; L17-S20 PolarHBondContact O-N 3.5Å; L17-S20 VanDerWaalsContact O-N 3.14Å; L17-V21 HydrophobicContact CD1-CG2 4.12Å; L17-V21 WeakPolarHBondContact O-CG2 3.34Å; L17-V21 PolarHBondContact O-N 3.5Å; L17-V99 HydrophobicContact CB-CG1 4.04Å; L17-V99 HydrophobicContact CD2-CG1 3.84Å; L17-V99 HydrophobicContact CG-CG1 3.75Å; L17-V99 HydrophobicContact CG-CG2 4.24Å; L17-A158 HydrophobicContact CB-CB 4.24Å; L17-A158 HydrophobicContact CD1-CB 4.11Å; L17-A158 HydrophobicContact CD2-CB 3.95Å; L17-A158 HydrophobicContact CG-CB 4.31Å; L17-V160 HydrophobicContact CD1-CG2 3.52Å; L17-W181 HydrophobicContact CD2-CE3 4.1Å; L17-W181 HydrophobicContact CD2-CZ3 4.38Å; L17-L183 HydrophobicContact CD2-CB 3.62Å; L17-L183 HydrophobicContact CD2-CD1 4.14Å; L17-L183 HydrophobicContact CD2-CD2 4.17Å; L17-L183 HydrophobicContact CD2-CG 4.2Å
18S98.1Very high96.9Very high0 Ų021 Ų210%011%0.111CC..Hα-helixtrans-62.3-42.5-178-177.90000111.9V14 K15 V16 A22 Y95 S96 L100V14-S18 WeakPolarHBondContact O-CB 3.44Å; V14-S18 PolarHBondContact O-N 3.07Å; K15-S18 PolarHBondContact O-N 3.23Å; V16-S18 PolarHBondContact O-N 3.5Å; S18-A22 PolarHBondContact O-N 3.34Å; S18-Y95 WeakPolarHBondContact OG-CB 3.4Å; S18-S96 PolarHBondContact O-N 3.02Å; S18-S96 PolarHBondContact OG-N 3.24Å; S18-S96 PolarHBondContact OG-O 2.76Å; S18-L100 WeakPolarHBondContact OG-CD2 3.48Å
19S98.2Very high97.1Very high2 Ų221.2 Ų21.21%0.01410%0.103CC..Hα-helixtrans-64.8-46.5170.5-71.20000111.5W7 K15 V16 L17 V21 A22 I23W7-S19 VanDerWaalsContact CH2-OG 3.28Å; W7-S19 WeakPolarHBondContact CH2-OG 3.43Å; K15-S19 PolarHBondContact O-N 3.27Å; K15-S19 PolarHBondContact O-OG 3.41Å; V16-S19 PolarHBondContact O-N 2.82Å; L17-S19 VanDerWaalsContact C-N 3.35Å; L17-S19 PolarHBondContact O-N 2.76Å; S19-V21 VanDerWaalsContact C-N 3.29Å; S19-V21 PolarHBondContact O-N 3.21Å; S19-A22 PolarHBondContact O-N 3.32Å; S19-A22 VanDerWaalsContact O-N 3.16Å; S19-I23 VanDerWaalsContact O-CB 3.25Å; S19-I23 WeakPolarHBondContact O-CB 3.35Å; S19-I23 WeakPolarHBondContact O-CD1 3.24Å; S19-I23 WeakPolarHBondContact O-CG1 3.35Å; S19-I23 PolarHBondContact O-N 3.18Å
20S98.7Very high97.2Very high0 Ų015.6 Ų15.60%08%0.077CC..Hα-helixtrans-57.3-38.5-179.8-690000113.2V16 L17 I23 A24V16-S20 WeakPolarHBondContact O-CB 3.2Å; V16-S20 PolarHBondContact O-N 2.93Å; V16-S20 PolarHBondContact O-OG 3.48Å; L17-S20 WeakPolarHBondContact O-CB 3.49Å; L17-S20 PolarHBondContact O-N 3.5Å; L17-S20 VanDerWaalsContact O-N 3.14Å; S20-I23 PolarHBondContact O-N 2.95Å; S20-A24 VanDerWaalsContact O-CB 3.26Å; S20-A24 WeakPolarHBondContact O-CB 3.45Å; S20-A24 PolarHBondContact O-N 3.41Å
21V98.6Very high97.1Very high2 Ų215.3 Ų15.31%0.0128%0.075CC..Hα-helixtrans-60.4-53.5174.2167.10000111L17 S19 I23 A24 E25 V99 V160 T179 W181L17-V21 HydrophobicContact CD1-CG2 4.12Å; L17-V21 WeakPolarHBondContact O-CG2 3.34Å; L17-V21 PolarHBondContact O-N 3.5Å; S19-V21 VanDerWaalsContact C-N 3.29Å; S19-V21 PolarHBondContact O-N 3.21Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 2.95Å; V21-A24 PolarHBondContact O-N 2.92Å; V21-E25 WeakPolarHBondContact O-CG 3.34Å; V21-E25 PolarHBondContact O-N 2.63Å; V21-E25 VanDerWaalsContact O-N 3.14Å; V21-V99 HydrophobicContact CB-CG2 4.48Å; V21-V99 HydrophobicContact CG2-CG2 3.91Å; V21-V160 HydrophobicContact CG2-CG1 4.4Å; V21-V160 HydrophobicContact CG2-CG2 3.79Å; V21-T179 HydrophobicContact CG1-CG2 4.25Å; V21-W181 HydrophobicContact CG2-CB 3.93Å; V21-W181 HydrophobicContact CG2-CD2 4.14Å; V21-W181 HydrophobicContact CG2-CG 3.66Å
22A97.8Very high96.9Very high10 Ų1016.5 Ų16.58%0.0838%0.078CC..Hα-helixtrans-66-34.6-179.300000112.7S18 S19 R26 K94S18-A22 PolarHBondContact O-N 3.34Å; S19-A22 PolarHBondContact O-N 3.32Å; S19-A22 VanDerWaalsContact O-N 3.16Å; A22-R26 PolarHBondContact O-N 3.29Å; A22-K94 HydrophobicContact CB-CB 3.95Å; A22-K94 WeakPolarHBondContact CB-O 3.28Å
23I98.3Very high96.6Very high1 Ų119.8 Ų19.81%0.0059%0.09CC..Hα-helixtrans-68.2-44.4176.5-72.5167.2000110.7S19 S20 V21 E25 R26 A27 I61 S64 L65 T92 I148S19-I23 VanDerWaalsContact O-CB 3.25Å; S19-I23 WeakPolarHBondContact O-CB 3.35Å; S19-I23 WeakPolarHBondContact O-CD1 3.24Å; S19-I23 WeakPolarHBondContact O-CG1 3.35Å; S19-I23 PolarHBondContact O-N 3.18Å; S20-I23 PolarHBondContact O-N 2.95Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 2.95Å; I23-E25 VanDerWaalsContact C-N 3.31Å; I23-E25 PolarHBondContact O-N 3.38Å; I23-R26 PolarHBondContact O-N 3.3Å; I23-A27 WeakPolarHBondContact O-CB 3.39Å; I23-A27 PolarHBondContact O-N 2.74Å; I23-I61 HydrophobicContact CG2-CB 3.97Å; I23-I61 HydrophobicContact CG2-CG1 3.77Å; I23-I61 HydrophobicContact CG2-CG2 4.04Å; I23-S64 VanDerWaalsContact CD1-CB 3.48Å; I23-L65 HydrophobicContact CD1-CD2 3.75Å; I23-L65 HydrophobicContact CD1-CG 3.9Å; I23-T92 HydrophobicContact CB-CG2 4.31Å; I23-T92 HydrophobicContact CG1-CG2 3.66Å; I23-I148 HydrophobicContact CG2-CD1 4.43Å
24A98.5Very high96.1Very high0 Ų020.1 Ų20.10%09%0.092CC..Hα-helixtrans-62.2-39.3177.400000111.6S20 V21 A27 G28 I148 V160 H162S20-A24 VanDerWaalsContact O-CB 3.26Å; S20-A24 WeakPolarHBondContact O-CB 3.45Å; S20-A24 PolarHBondContact O-N 3.41Å; V21-A24 PolarHBondContact O-N 2.92Å; A24-A27 PolarHBondContact O-N 2.85Å; A24-G28 PolarHBondContact O-N 2.71Å; A24-I148 HydrophobicContact CB-CD1 3.94Å; A24-V160 HydrophobicContact CB-CG1 3.81Å; A24-H162 HydrophobicContact CB-CB 3.82Å; A24-H162 PolarHBondContact O-CD2 3.29Å
25E97.2Very high95.6Very high77 Ų7723.8 Ų23.836%0.3611%0.107SC..Hα-helixtrans-63.8-42.9173.8-72.5171.1-179.200112.4V21 I23 G28 Q29 T179V21-E25 WeakPolarHBondContact O-CG 3.34Å; V21-E25 PolarHBondContact O-N 2.63Å; V21-E25 VanDerWaalsContact O-N 3.14Å; I23-E25 VanDerWaalsContact C-N 3.31Å; I23-E25 PolarHBondContact O-N 3.38Å; E25-G28 PolarHBondContact O-N 2.88Å; E25-Q29 WeakPolarHBondContact O-CG 3.49Å; E25-Q29 PolarHBondContact O-N 2.87Å; E25-T179 WeakPolarHBondContact CG-OG1 3.2Å; E25-T179 PolarHBondContact OE1-OG1 3.49Å
26R96.6Very high94.8Very high54 Ų5425.5 Ų25.520%0.20414%0.136CC..Hα-helixtrans-63.8-45.6175.4177.357.7-180156.1-0.4111.3A22 I23 G28 Q29 L30 T89 T92A22-R26 PolarHBondContact O-N 3.29Å; I23-R26 PolarHBondContact O-N 3.3Å; R26-G28 VanDerWaalsContact C-N 3.31Å; R26-G28 PolarHBondContact O-N 3.03Å; R26-Q29 WeakPolarHBondContact O-CB 3.37Å; R26-Q29 PolarHBondContact O-N 3.16Å; R26-L30 WeakPolarHBondContact O-CG 3.15Å; R26-L30 PolarHBondContact O-N 2.81Å; R26-T89 PolarHBondContact NH2-O 3.49Å; R26-T92 HydrophobicContact CB-CG2 3.75Å; R26-T92 HydrophobicContact CG-CG2 3.95Å
27A96.8Very high94.2Very high0 Ų032 Ų320%016%0.164CC..Hα-helixtrans-60.8-42.3176.600000110.8I23 A24 Q29 L30 V31 C60 I61 I146I23-A27 WeakPolarHBondContact O-CB 3.39Å; I23-A27 PolarHBondContact O-N 2.74Å; A24-A27 PolarHBondContact O-N 2.85Å; A27-Q29 VanDerWaalsContact C-N 3.34Å; A27-Q29 PolarHBondContact O-N 3.14Å; A27-L30 WeakPolarHBondContact O-CB 3.25Å; A27-L30 PolarHBondContact O-N 3.08Å; A27-L30 VanDerWaalsContact O-N 3.08Å; A27-V31 WeakPolarHBondContact O-CG2 3.4Å; A27-V31 PolarHBondContact O-N 3.49Å; A27-C60 HydrophobicContact CB-CB 4.49Å; A27-I61 HydrophobicContact CB-CD1 4.07Å; A27-I61 HydrophobicContact CB-CG1 3.86Å; A27-I146 HydrophobicContact CB-CD1 3.6Å
28G95.9Very high93.6Very high0 Ų038.3 Ų38.30%020%0.198CC..Hα-helixtrans-60.6-39.5173.900000113.3A24 E25 R26 L30 V31 R32A24-G28 PolarHBondContact O-N 2.71Å; E25-G28 PolarHBondContact O-N 2.88Å; R26-G28 VanDerWaalsContact C-N 3.31Å; R26-G28 PolarHBondContact O-N 3.03Å; G28-L30 VanDerWaalsContact C-N 3.35Å; G28-V31 PolarHBondContact O-N 2.77Å; G28-R32 WeakPolarHBondContact O-CG 3.43Å; G28-R32 PolarHBondContact O-N 3.11Å; G28-R32 PolarHBondContact O-NH1 2.95Å
29Q94.2Very high92.9Very high81 Ų8139.5 Ų39.538%0.37920%0.204SC..Hα-helixtrans-60.8-43171.9-68.8165.97.200111.9E25 R26 A27 R32 Q33E25-Q29 WeakPolarHBondContact O-CG 3.49Å; E25-Q29 PolarHBondContact O-N 2.87Å; R26-Q29 WeakPolarHBondContact O-CB 3.37Å; R26-Q29 PolarHBondContact O-N 3.16Å; A27-Q29 VanDerWaalsContact C-N 3.34Å; A27-Q29 PolarHBondContact O-N 3.14Å; Q29-R32 PolarHBondContact O-N 3.29Å; Q29-Q33 WeakPolarHBondContact O-CG 3.44Å; Q29-Q33 PolarHBondContact O-N 2.78Å
30L93.9Very high92.4Very high6 Ų644.9 Ų44.93%0.03123%0.227CC..Hα-helixtrans-65.2-42.9177.7-65.5170.1000111.4R26 A27 G28 R32 Q33 T34 C60 I90R26-L30 WeakPolarHBondContact O-CG 3.15Å; R26-L30 PolarHBondContact O-N 2.81Å; A27-L30 WeakPolarHBondContact O-CB 3.25Å; A27-L30 PolarHBondContact O-N 3.08Å; A27-L30 VanDerWaalsContact O-N 3.08Å; G28-L30 VanDerWaalsContact C-N 3.35Å; L30-R32 VanDerWaalsContact C-N 3.31Å; L30-R32 PolarHBondContact O-N 3.39Å; L30-Q33 WeakPolarHBondContact O-CB 3.4Å; L30-Q33 PolarHBondContact O-N 2.81Å; L30-T34 PolarHBondContact O-N 3.42Å; L30-C60 HydrophobicContact CD1-CB 3.54Å; L30-I90 HydrophobicContact CD1-CB 3.86Å; L30-I90 HydrophobicContact CD1-CG2 4.24Å; L30-I90 HydrophobicContact CD2-CG2 4.19Å
31V93.2Very high91.9Very high0 Ų048 Ų480%025%0.246CC..Hα-helixtrans-55.4-47.8172.9169.80000110.2A27 G28 Q33 T34 A53 L125 F131 I146 P164 Y165A27-V31 WeakPolarHBondContact O-CG2 3.4Å; A27-V31 PolarHBondContact O-N 3.49Å; G28-V31 PolarHBondContact O-N 2.77Å; V31-Q33 VanDerWaalsContact C-N 3.27Å; V31-Q33 PolarHBondContact O-N 3.37Å; V31-T34 PolarHBondContact O-N 3.17Å; V31-T34 PolarHBondContact O-OG1 3.18Å; V31-A53 HydrophobicContact CG1-CB 4.43Å; V31-A53 HydrophobicContact CG2-CB 4.4Å; V31-L125 HydrophobicContact CB-CD1 4.3Å; V31-L125 HydrophobicContact CG1-CD1 3.63Å; V31-L125 HydrophobicContact CG2-CD1 3.63Å; V31-F131 HydrophobicContact CG1-CE2 4.3Å; V31-F131 HydrophobicContact CG1-CZ 4.32Å; V31-I146 HydrophobicContact CG2-CD1 4.18Å; V31-P164 HydrophobicContact CB-CG 4.42Å; V31-P164 HydrophobicContact CG1-CB 4.23Å; V31-P164 HydrophobicContact CG1-CG 4.16Å; V31-Y165 HydrophobicContact CG1-CE2 4.18Å
32R91.3Very high91.5Very high35 Ų3552.4 Ų52.413%0.13227%0.269CS..Hα-helixtrans-59.8-34.7176-70.7-162.5-67.2-73.4-0.2113.7G28 Q29 L30 T34 Y35 P164 Y165 M174 E175G28-R32 WeakPolarHBondContact O-CG 3.43Å; G28-R32 PolarHBondContact O-N 3.11Å; G28-R32 PolarHBondContact O-NH1 2.95Å; Q29-R32 PolarHBondContact O-N 3.29Å; L30-R32 VanDerWaalsContact C-N 3.31Å; L30-R32 PolarHBondContact O-N 3.39Å; R32-T34 PolarHBondContact O-N 3.08Å; R32-Y35 VanDerWaalsContact O-CB 3.24Å; R32-Y35 WeakPolarHBondContact O-CB 3.44Å; R32-Y35 PolarHBondContact O-N 2.79Å; R32-Y35 VanDerWaalsContact O-N 3.12Å; R32-P164 VanDerWaalsContact CD-O 3.24Å; R32-P164 WeakPolarHBondContact CD-O 3.39Å; R32-P164 HydrophobicContact CG-CB 4.17Å; R32-P164 PolarHBondContact NH1-O 3.13Å; R32-Y165 WeakPolarHBondContact CA-OH 3.45Å; R32-Y165 HydrophobicContact CG-CD1 4.32Å; R32-Y165 HydrophobicContact CG-CE1 3.76Å; R32-Y165 HydrophobicContact CG-CE2 4.47Å; R32-M174 WeakPolarHBondContact CD-O 3.36Å; R32-E175 PolarHBondContact NE-O 3.39Å; R32-E175 PolarHBondContact NH2-O 3.03Å
33Q90.4Very high91.1Very high108 Ų10857.2 Ų57.251%0.50530%0.298SS..Hα-helixtrans-67.7-15.9176-69.7172.23.200113.7Q29 L30 V31 K37Q29-Q33 WeakPolarHBondContact O-CG 3.44Å; Q29-Q33 PolarHBondContact O-N 2.78Å; L30-Q33 WeakPolarHBondContact O-CB 3.4Å; L30-Q33 PolarHBondContact O-N 2.81Å; V31-Q33 VanDerWaalsContact C-N 3.27Å; V31-Q33 PolarHBondContact O-N 3.37Å; Q33-K37 WeakPolarHBondContact O-CD 3.34Å; Q33-K37 WeakPolarHBondContact O-CE 3.3Å; Q33-K37 PolarHBondContact O-NZ 3.31Å
34T88.9Confident90.5Very high6 Ų661.1 Ų61.14%0.03731%0.314CS..Hα-helixtrans-87.9-13.1173.771.40000113.2L30 V31 R32 G36 K37 A53 L56L30-T34 PolarHBondContact O-N 3.42Å; V31-T34 PolarHBondContact O-N 3.17Å; V31-T34 PolarHBondContact O-OG1 3.18Å; R32-T34 PolarHBondContact O-N 3.08Å; T34-G36 PolarHBondContact O-N 2.81Å; T34-K37 WeakPolarHBondContact O-CB 3.4Å; T34-K37 PolarHBondContact O-N 2.84Å; T34-K37 VanDerWaalsContact O-N 3.12Å; T34-A53 HydrophobicContact CG2-CB 4.09Å; T34-A53 WeakPolarHBondContact OG1-CB 3.28Å; T34-L56 HydrophobicContact CG2-CD1 3.86Å
35Y85.6Confident89.9Confident77 Ų7762.5 Ų62.530%0.30233%0.329SS..THydrogen-bonded Turntrans-58.3132.4-176.7-168.6-95.4000112R32 K37 F131 E134 V141 Y165 M174R32-Y35 VanDerWaalsContact O-CB 3.24Å; R32-Y35 WeakPolarHBondContact O-CB 3.44Å; R32-Y35 PolarHBondContact O-N 2.79Å; R32-Y35 VanDerWaalsContact O-N 3.12Å; Y35-K37 PolarHBondContact O-N 3.3Å; Y35-F131 HydrophobicContact CD2-CE2 4.44Å; Y35-E134 HydrophobicContact CE2-CG 3.91Å; Y35-V141 HydrophobicContact CD2-CG1 4.27Å; Y35-V141 HydrophobicContact CE2-CB 4.4Å; Y35-V141 HydrophobicContact CE2-CG1 3.73Å; Y35-V141 HydrophobicContact CE2-CG2 4.15Å; Y35-Y165 WeakPolarHBondContact CB-OH 3.36Å; Y35-Y165 AromaticContact CD2-CE1 3.79Å; Y35-Y165 HydrophobicContact CD2-CE1 3.79Å; Y35-Y165 AromaticContact CD2-CZ 3.75Å; Y35-Y165 WeakPolarHBondContact CD2-OH 3.06Å; Y35-Y165 HydrophobicContact CE2-CE1 4.33Å; Y35-Y165 HydrophobicContact CG-CE1 4.23Å; Y35-M174 HydrophobicContact CD1-CE 3.95Å; Y35-M174 HydrophobicContact CD1-SD 3.74Å; Y35-M174 HydrophobicContact CE1-CE 4.03Å; Y35-M174 HydrophobicContact CE1-SD 3.58Å; Y35-M174 VanDerWaalsContact CE1-SD 3.58Å; Y35-M174 HydrophobicContact CG-SD 4.39Å
36G81.6Confident89.1Confident77 Ų7767.8 Ų67.879%0.79435%0.347SS*.THydrogen-bonded Turntrans72.52.6179.900000115.4T34T34-G36 PolarHBondContact O-N 2.81Å
37K85.3Confident88.4Confident136 Ų13669.3 Ų69.359%0.59135%0.353SS*.SBendtrans-90.9167.9172-60.3-178.8179165.20110.6Q33 T34 Y35 L39Q33-K37 WeakPolarHBondContact O-CD 3.34Å; Q33-K37 WeakPolarHBondContact O-CE 3.3Å; Q33-K37 PolarHBondContact O-NZ 3.31Å; T34-K37 WeakPolarHBondContact O-CB 3.4Å; T34-K37 PolarHBondContact O-N 2.84Å; T34-K37 VanDerWaalsContact O-N 3.12Å; Y35-K37 PolarHBondContact O-N 3.3Å; K37-L39 PolarHBondContact O-N 3.49Å; K37-L39 VanDerWaalsContact O-N 3.11Å
38D85.6Confident88Confident132 Ų13272.1 Ų72.171%0.70637%0.368SS*.  trans-63.3111.8164.7-178.1-2.5000108.9K40D38-K40 PolarHBondContact O-N 3.06Å; D38-K40 PolarHBondContact OD1-N 2.95Å; D38-K40 VanDerWaalsContact OD1-N 3.1Å
39L84.8Confident87.8Confident26 Ų2673.1 Ų73.114%0.13637%0.373CS..  trans-75.4-4.1-172.8-67.3-176.9000113.4K37 V41 T51 E52 F131K37-L39 PolarHBondContact O-N 3.49Å; K37-L39 VanDerWaalsContact O-N 3.11Å; L39-V41 VanDerWaalsContact C-N 3.3Å; L39-V41 HydrophobicContact CB-CG2 3.86Å; L39-V41 PolarHBondContact O-N 3.47Å; L39-T51 HydrophobicContact CB-CG2 4.25Å; L39-T51 HydrophobicContact CD1-CG2 4.38Å; L39-E52 PolarHBondContact O-N 3.13Å; L39-F131 HydrophobicContact CD1-CD1 3.96Å; L39-F131 HydrophobicContact CD1-CE1 3.79Å; L39-F131 HydrophobicContact CD2-CE1 3.68Å; L39-F131 HydrophobicContact CD2-CZ 4.16Å; L39-F131 HydrophobicContact CG-CE1 4.39Å
40K87.2Confident87.7Confident115 Ų11569.9 Ų69.950%0.536%0.358SS..  trans44.557.7-178-58.5-178.4-167.91340111.2D38 E52 R55D38-K40 PolarHBondContact O-N 3.06Å; D38-K40 PolarHBondContact OD1-N 2.95Å; D38-K40 VanDerWaalsContact OD1-N 3.1Å; K40-E52 WeakPolarHBondContact CD-OE2 3.1Å; K40-E52 WeakPolarHBondContact CE-OE2 2.73Å; K40-E52 IonicContact NZ-OE1 2.76Å; K40-E52 IonicContact NZ-OE2 3.99Å; K40-E52 PolarHBondContact NZ-OE2 3.16Å; K40-R55 PolarHBondContact O-NH2 2.86Å
41V88.4Confident87.6Confident65 Ų6569.6 Ų69.639%0.39436%0.356SS..  trans-69.3127.6-174-173.80000110L39 L49 Q50 T51L39-V41 VanDerWaalsContact C-N 3.3Å; L39-V41 HydrophobicContact CB-CG2 3.86Å; L39-V41 PolarHBondContact O-N 3.47Å; V41-L49 HydrophobicContact CG1-CB 4.16Å; V41-L49 HydrophobicContact CG1-CD1 4.18Å; V41-L49 HydrophobicContact CG1-CD2 4.1Å; V41-L49 HydrophobicContact CG1-CG 4.38Å; V41-Q50 CarbonylContact C-O 3.56Å; V41-Q50 WeakPolarHBondContact CA-O 3.4Å; V41-T51 HydrophobicContact CG2-CG2 4.07Å
42L89.6Confident87.6Confident94 Ų9472.2 Ų72.249%0.49237%0.369SS..EExtended strand (participates in β ladder)trans-104.2142.3168.9-58.6-177.8000108.8L49 Q50L42-L49 CarbonylContact O-C 3.54Å; L42-L49 WeakPolarHBondContact O-CA 3.3Å; L42-Q50 HydrophobicContact CB-CB 4.42Å; L42-Q50 PolarHBondContact N-O 2.89Å; L42-Q50 PolarHBondContact O-N 3.16Å
43T89.1Confident87.7Confident111 Ų11170.5 Ų70.568%0.68136%0.362SS*.EExtended strand (participates in β ladder)trans-102.3114.3176.7-56.20000109G45 L49T43-G45 VanDerWaalsContact CG2-O 3.28Å; T43-G45 WeakPolarHBondContact CG2-O 3.45Å; T43-L49 HydrophobicContact CG2-CD2 4.19Å
44K86.9Confident87.9Confident83 Ų8365.4 Ų65.436%0.36134%0.338SS..EExtended strand (participates in β ladder)trans-87.7-25.4175.6-63.5-176.7-65.1-1740111.4D48 Q50 E78 E79K44-D48 HydrophobicContact CB-CB 4.34Å; K44-D48 WeakPolarHBondContact CB-OD2 3.36Å; K44-D48 WeakPolarHBondContact CE-OD1 3.31Å; K44-D48 PolarHBondContact N-O 3.37Å; K44-D48 IonicContact NZ-OD1 2.85Å; K44-Q50 HydrophobicContact CD-CB 4.09Å; K44-Q50 HydrophobicContact CG-CB 4.38Å; K44-E78 IonicContact NZ-OE1 3.52Å; K44-E78 PolarHBondContact NZ-OE1 3.25Å; K44-E79 IonicContact NZ-OE1 2.69Å; K44-E79 PolarHBondContact NZ-OE1 3.1Å; K44-E79 IonicContact NZ-OE2 2.66Å; K44-E79 PolarHBondContact NZ-OE2 3.29Å
45G84.6Confident88.1Confident30 Ų3067.3 Ų67.331%0.30935%0.345SS..EExtended strand (participates in β ladder)trans-178.3-166179.600000113.1T43 R47 D48T43-G45 VanDerWaalsContact CG2-O 3.28Å; T43-G45 WeakPolarHBondContact CG2-O 3.45Å; G45-R47 PolarHBondContact O-N 3.43Å; G45-R47 VanDerWaalsContact O-N 3.08Å; G45-D48 PolarHBondContact N-O 3.02Å; G45-D48 VanDerWaalsContact N-O 3.1Å; G45-D48 PolarHBondContact O-N 3.26Å
46Y82.2Confident88.5Confident188 Ų18865.9 Ų65.974%0.73734%0.342SS*.THydrogen-bonded Turntrans-66.2111177.5178.5-104.6000110.7D48Y46-D48 PolarHBondContact O-N 3.3Å; Y46-D48 VanDerWaalsContact O-N 3.1Å
47R81.8Confident89.2Confident86 Ų8662.2 Ų62.233%0.32530%0.304SS..THydrogen-bonded Turntrans59.310.3-173.1-59.4-176.5171.5171.7-2.7115.1G45 Y129 S209G45-R47 PolarHBondContact O-N 3.43Å; G45-R47 VanDerWaalsContact O-N 3.08Å; R47-Y129 HydrophobicContact CB-CD2 3.83Å; R47-Y129 HydrophobicContact CB-CE2 3.94Å; R47-Y129 HydrophobicContact CG-CD2 4.12Å; R47-Y129 HydrophobicContact CG-CE2 3.69Å; R47-S209 VanDerWaalsContact CD-O 3.28Å; R47-S209 WeakPolarHBondContact CD-O 3.39Å; R47-S209 PolarHBondContact NH1-O 3.1Å
48D87.1Confident89.7Confident59 Ų5956.1 Ų56.132%0.31628%0.278SS..EExtended strand (participates in β ladder)trans-97.7104.2173.7-17814000107.8K44 G45 Y46K44-D48 HydrophobicContact CB-CB 4.34Å; K44-D48 WeakPolarHBondContact CB-OD2 3.36Å; K44-D48 WeakPolarHBondContact CE-OD1 3.31Å; K44-D48 PolarHBondContact N-O 3.37Å; K44-D48 IonicContact NZ-OD1 2.85Å; G45-D48 PolarHBondContact N-O 3.02Å; G45-D48 VanDerWaalsContact N-O 3.1Å; G45-D48 PolarHBondContact O-N 3.26Å; Y46-D48 PolarHBondContact O-N 3.3Å; Y46-D48 VanDerWaalsContact O-N 3.1Å
49L91.8Very high90.2Very high21 Ų2150.9 Ų50.911%0.1125%0.249CC..EExtended strand (participates in β ladder)trans-121155.7-170.1-59.1-178.5000109.9V41 L42 T43 T128 Y129 S132V41-L49 HydrophobicContact CG1-CB 4.16Å; V41-L49 HydrophobicContact CG1-CD1 4.18Å; V41-L49 HydrophobicContact CG1-CD2 4.1Å; V41-L49 HydrophobicContact CG1-CG 4.38Å; L42-L49 CarbonylContact O-C 3.54Å; L42-L49 WeakPolarHBondContact O-CA 3.3Å; T43-L49 HydrophobicContact CG2-CD2 4.19Å; L49-T128 HydrophobicContact CB-CG2 4.19Å; L49-T128 WeakPolarHBondContact O-CG2 3.15Å; L49-Y129 HydrophobicContact CD1-CD2 3.9Å; L49-Y129 HydrophobicContact CG-CD2 4.47Å; L49-S132 VanDerWaalsContact CD1-OG 3.26Å; L49-S132 WeakPolarHBondContact CD1-OG 3.34Å
50Q92.3Very high90.7Very high12 Ų1249.7 Ų49.76%0.05624%0.243CC..EExtended strand (participates in β ladder)trans-135.8129.6170.3-176.7-158.679.400108.7V41 L42 K44 D54 R55 E79V41-Q50 CarbonylContact C-O 3.56Å; V41-Q50 WeakPolarHBondContact CA-O 3.4Å; L42-Q50 HydrophobicContact CB-CB 4.42Å; L42-Q50 PolarHBondContact N-O 2.89Å; L42-Q50 PolarHBondContact O-N 3.16Å; K44-Q50 HydrophobicContact CD-CB 4.09Å; K44-Q50 HydrophobicContact CG-CB 4.38Å; Q50-D54 HydrophobicContact CG-CB 3.99Å; Q50-R55 HydrophobicContact CG-CG 4.24Å; Q50-E79 HydrophobicContact CG-CG 4.38Å; Q50-E79 WeakPolarHBondContact CG-OE2 3.43Å; Q50-E79 PolarHBondContact NE2-OE2 3.2Å
51T92.9Very high91.2Very high0 Ų044.2 Ų44.20%022%0.219CC..  trans-109.9174.517879.20000112.2L39 V41 A53 D54 R55 T128 F131L39-T51 HydrophobicContact CB-CG2 4.25Å; L39-T51 HydrophobicContact CD1-CG2 4.38Å; V41-T51 HydrophobicContact CG2-CG2 4.07Å; T51-A53 PolarHBondContact O-N 3.47Å; T51-A53 WeakPolarHBondContact OG1-CB 3.43Å; T51-A53 PolarHBondContact OG1-N 2.75Å; T51-A53 VanDerWaalsContact OG1-N 3.1Å; T51-D54 VanDerWaalsContact CA-OD2 3.25Å; T51-D54 WeakPolarHBondContact CA-OD2 3.32Å; T51-D54 WeakPolarHBondContact CB-OD2 3.46Å; T51-D54 PolarHBondContact N-OD2 3.29Å; T51-D54 PolarHBondContact O-N 3.1Å; T51-D54 PolarHBondContact OG1-OD2 2.84Å; T51-R55 PolarHBondContact O-N 3.36Å; T51-R55 PolarHBondContact O-NH1 3.19Å; T51-T128 HydrophobicContact CG2-CG2 3.79Å; T51-F131 HydrophobicContact CG2-CD1 4.42Å
52E91.9Very high91.5Very high55 Ų5542 Ų4226%0.25721%0.206SC..Hα-helixtrans-58.7-30.2169.2-175.7167.7177.400112.2L39 K40 R55 L56L39-E52 PolarHBondContact O-N 3.13Å; K40-E52 WeakPolarHBondContact CD-OE2 3.1Å; K40-E52 WeakPolarHBondContact CE-OE2 2.73Å; K40-E52 IonicContact NZ-OE1 2.76Å; K40-E52 IonicContact NZ-OE2 3.99Å; K40-E52 PolarHBondContact NZ-OE2 3.16Å; E52-R55 VanDerWaalsContact CA-NH2 3.31Å; E52-R55 PolarHBondContact O-N 3.06Å; E52-L56 HydrophobicContact CG-CD1 3.81Å; E52-L56 HydrophobicContact CG-CG 4.13Å; E52-L56 WeakPolarHBondContact O-CB 3.47Å; E52-L56 VanDerWaalsContact O-CG 3.24Å; E52-L56 WeakPolarHBondContact O-CG 3.43Å; E52-L56 PolarHBondContact O-N 3.46Å
53A93.4Very high91.8Very high0 Ų039.5 Ų39.50%019%0.191CC..Hα-helixtrans-65.7-44.9177.100000111.9V31 T34 T51 R55 L56 S57 L125 F131V31-A53 HydrophobicContact CG1-CB 4.43Å; V31-A53 HydrophobicContact CG2-CB 4.4Å; T34-A53 HydrophobicContact CG2-CB 4.09Å; T34-A53 WeakPolarHBondContact OG1-CB 3.28Å; T51-A53 PolarHBondContact O-N 3.47Å; T51-A53 WeakPolarHBondContact OG1-CB 3.43Å; T51-A53 PolarHBondContact OG1-N 2.75Å; T51-A53 VanDerWaalsContact OG1-N 3.1Å; A53-R55 PolarHBondContact O-N 3.4Å; A53-L56 PolarHBondContact O-N 2.54Å; A53-S57 WeakPolarHBondContact O-CB 3.37Å; A53-S57 PolarHBondContact O-N 3.33Å; A53-L125 HydrophobicContact CB-CD2 3.83Å; A53-F131 HydrophobicContact CB-CD1 4.34Å; A53-F131 HydrophobicContact CB-CE1 3.6Å; A53-F131 HydrophobicContact CB-CZ 4.15Å
54D95.2Very high92.1Very high0 Ų034.2 Ų34.20%016%0.159CC..Hα-helixtrans-58.4-49.5176.8-48.9-115.5000110Q50 T51 L56 S57 Q58 E79 L125 T128Q50-D54 HydrophobicContact CG-CB 3.99Å; T51-D54 VanDerWaalsContact CA-OD2 3.25Å; T51-D54 WeakPolarHBondContact CA-OD2 3.32Å; T51-D54 WeakPolarHBondContact CB-OD2 3.46Å; T51-D54 PolarHBondContact N-OD2 3.29Å; T51-D54 PolarHBondContact O-N 3.1Å; T51-D54 PolarHBondContact OG1-OD2 2.84Å; D54-L56 PolarHBondContact O-N 2.72Å; D54-S57 PolarHBondContact O-N 3.1Å; D54-Q58 WeakPolarHBondContact O-CB 3.25Å; D54-Q58 PolarHBondContact O-N 2.85Å; D54-E79 HydrophobicContact CB-CG 4.28Å; D54-L125 HydrophobicContact CB-CB 4.3Å; D54-L125 WeakPolarHBondContact OD1-CB 3.3Å; D54-L125 WeakPolarHBondContact OD2-CD2 3.42Å; D54-T128 WeakPolarHBondContact OD1-CB 3.28Å; D54-T128 WeakPolarHBondContact OD1-CG2 3.37Å; D54-T128 PolarHBondContact OD1-OG1 3.27Å; D54-T128 WeakPolarHBondContact OD2-CG2 3.45Å
55R93.6Very high92.6Very high46 Ų4630.3 Ų30.317%0.17414%0.142CC..Hα-helixtrans-62.6-46.8179.9-66.1-173-65.7-84.90.5112.2K40 Q50 T51 E52 A53 K59 L81K40-R55 PolarHBondContact O-NH2 2.86Å; Q50-R55 HydrophobicContact CG-CG 4.24Å; T51-R55 PolarHBondContact O-N 3.36Å; T51-R55 PolarHBondContact O-NH1 3.19Å; E52-R55 VanDerWaalsContact CA-NH2 3.31Å; E52-R55 PolarHBondContact O-N 3.06Å; A53-R55 PolarHBondContact O-N 3.4Å; R55-K59 WeakPolarHBondContact O-CB 3.08Å; R55-K59 WeakPolarHBondContact O-CG 3.43Å; R55-K59 PolarHBondContact O-N 3.06Å; R55-L81 HydrophobicContact CB-CD2 4.02Å; R55-L81 HydrophobicContact CG-CD2 3.95Å
56L93.5Very high93.1Very high47 Ų4733.3 Ų33.325%0.24615%0.148CC..Hα-helixtrans-65.6-42179.3-73.7174.8000111.8T34 E52 A53 D54 C60T34-L56 HydrophobicContact CG2-CD1 3.86Å; E52-L56 HydrophobicContact CG-CD1 3.81Å; E52-L56 HydrophobicContact CG-CG 4.13Å; E52-L56 WeakPolarHBondContact O-CB 3.47Å; E52-L56 VanDerWaalsContact O-CG 3.24Å; E52-L56 WeakPolarHBondContact O-CG 3.43Å; E52-L56 PolarHBondContact O-N 3.46Å; A53-L56 PolarHBondContact O-N 2.54Å; D54-L56 PolarHBondContact O-N 2.72Å; L56-C60 WeakPolarHBondContact O-CB 3.42Å; L56-C60 PolarHBondContact O-N 3.21Å
57S95.8Very high93.7Very high0 Ų031 Ų310%014%0.142CC..Hα-helixtrans-61.6-51.4176.9-179.40000110.8A53 D54 K59 C60 I61 P124A53-S57 WeakPolarHBondContact O-CB 3.37Å; A53-S57 PolarHBondContact O-N 3.33Å; D54-S57 PolarHBondContact O-N 3.1Å; S57-K59 PolarHBondContact O-N 2.81Å; S57-C60 WeakPolarHBondContact O-CB 3.34Å; S57-C60 PolarHBondContact O-N 3.43Å; S57-I61 WeakPolarHBondContact O-CD1 3.21Å; S57-I61 VanDerWaalsContact O-CG1 3.25Å; S57-I61 WeakPolarHBondContact O-CG1 3.49Å; S57-I61 PolarHBondContact O-N 3.33Å; S57-P124 VanDerWaalsContact CB-O 3.24Å; S57-P124 WeakPolarHBondContact CB-O 3.45Å; S57-P124 PolarHBondContact OG-O 2.98Å
58Q96.7Very high94.3Very high8 Ų829.1 Ų29.14%0.03714%0.142CC..Hα-helixtrans-62.9-43.2178.6-167.9167.9-69.400112.2D54 C60 I61 V62 A77 E79 L81 P124D54-Q58 WeakPolarHBondContact O-CB 3.25Å; D54-Q58 PolarHBondContact O-N 2.85Å; Q58-C60 VanDerWaalsContact C-N 3.29Å; Q58-C60 PolarHBondContact O-N 3.25Å; Q58-I61 PolarHBondContact O-N 3.31Å; Q58-I61 VanDerWaalsContact O-N 3.14Å; Q58-V62 HydrophobicContact CG-CG2 3.78Å; Q58-V62 WeakPolarHBondContact O-CB 3.12Å; Q58-V62 WeakPolarHBondContact O-CG2 3.24Å; Q58-V62 PolarHBondContact O-N 3.1Å; Q58-A77 HydrophobicContact CG-CB 3.85Å; Q58-A77 VanDerWaalsContact OE1-CB 3.31Å; Q58-E79 PolarHBondContact NE2-O 3.4Å; Q58-E79 VanDerWaalsContact OE1-CB 3.31Å; Q58-L81 HydrophobicContact CB-CD1 4.04Å; Q58-L81 HydrophobicContact CG-CD1 3.86Å; Q58-P124 HydrophobicContact CB-CB 3.58Å; Q58-P124 HydrophobicContact CB-CG 3.89Å; Q58-P124 HydrophobicContact CG-CB 4.35Å; Q58-P124 HydrophobicContact CG-CG 4.45Å
59K95Very high94.8Very high23 Ų2327.3 Ų27.310%0.113%0.131CC..Hα-helixtrans-57-43.7175.6-82.4-176.4179.3-166.40111.3R55 S57 H63 L81 D82 T84 P86 I90R55-K59 WeakPolarHBondContact O-CB 3.08Å; R55-K59 WeakPolarHBondContact O-CG 3.43Å; R55-K59 PolarHBondContact O-N 3.06Å; S57-K59 PolarHBondContact O-N 2.81Å; K59-H63 WeakPolarHBondContact O-CB 3.33Å; K59-H63 PolarHBondContact O-N 3.42Å; K59-H63 PolarHBondContact O-ND1 2.97Å; K59-L81 HydrophobicContact CG-CD1 3.65Å; K59-L81 HydrophobicContact CG-CD2 4.48Å; K59-D82 IonicContact NZ-OD1 2.92Å; K59-D82 PolarHBondContact NZ-OD1 3.1Å; K59-T84 PolarHBondContact NZ-O 2.89Å; K59-T84 PolarHBondContact NZ-OG1 2.84Å; K59-P86 HydrophobicContact CB-CB 4.37Å; K59-P86 HydrophobicContact CB-CG 3.66Å; K59-P86 HydrophobicContact CD-CB 4.5Å; K59-P86 HydrophobicContact CD-CG 4.04Å; K59-P86 HydrophobicContact CG-CG 3.96Å; K59-I90 HydrophobicContact CB-CD1 3.63Å
60C96.2Very high94.9Very high0 Ų027.5 Ų27.50%014%0.138CC..Hα-helixtrans-61-48.9173.9173.20000111.5A27 L30 L56 S57 Q58 S64 I90A27-C60 HydrophobicContact CB-CB 4.49Å; L30-C60 HydrophobicContact CD1-CB 3.54Å; L56-C60 WeakPolarHBondContact O-CB 3.42Å; L56-C60 PolarHBondContact O-N 3.21Å; S57-C60 WeakPolarHBondContact O-CB 3.34Å; S57-C60 PolarHBondContact O-N 3.43Å; Q58-C60 VanDerWaalsContact C-N 3.29Å; Q58-C60 PolarHBondContact O-N 3.25Å; C60-S64 WeakPolarHBondContact O-CB 3.4Å; C60-S64 PolarHBondContact O-N 3.06Å; C60-S64 VanDerWaalsContact O-N 3.16Å; C60-S64 PolarHBondContact O-OG 2.61Å; C60-I90 HydrophobicContact CB-CD1 4.28Å; C60-I90 PolarHBondContact SG-O 3.32Å
61I97.4Very high95Very high0 Ų033.2 Ų33.20%018%0.176CC..Hα-helixtrans-65.9-56.2-173.9-62.8159.8000111.5I23 A27 S57 Q58 S64 L65 V122 P124 I146 I148I23-I61 HydrophobicContact CG2-CB 3.97Å; I23-I61 HydrophobicContact CG2-CG1 3.77Å; I23-I61 HydrophobicContact CG2-CG2 4.04Å; A27-I61 HydrophobicContact CB-CD1 4.07Å; A27-I61 HydrophobicContact CB-CG1 3.86Å; S57-I61 WeakPolarHBondContact O-CD1 3.21Å; S57-I61 VanDerWaalsContact O-CG1 3.25Å; S57-I61 WeakPolarHBondContact O-CG1 3.49Å; S57-I61 PolarHBondContact O-N 3.33Å; Q58-I61 PolarHBondContact O-N 3.31Å; Q58-I61 VanDerWaalsContact O-N 3.14Å; I61-S64 PolarHBondContact O-N 3.42Å; I61-L65 HydrophobicContact CG2-CD1 3.95Å; I61-L65 WeakPolarHBondContact O-CG 3.28Å; I61-L65 PolarHBondContact O-N 3.5Å; I61-L65 VanDerWaalsContact O-N 3.08Å; I61-V122 HydrophobicContact CB-CG1 4.24Å; I61-V122 HydrophobicContact CD1-CG1 3.73Å; I61-V122 HydrophobicContact CG2-CB 4.46Å; I61-V122 HydrophobicContact CG2-CG1 3.76Å; I61-V122 HydrophobicContact CG2-CG2 3.8Å; I61-P124 HydrophobicContact CD1-CB 4.36Å; I61-I146 HydrophobicContact CD1-CG2 3.62Å; I61-I148 HydrophobicContact CD1-CD1 4.44Å; I61-I148 HydrophobicContact CG1-CD1 4.33Å; I61-I148 HydrophobicContact CG2-CD1 3.88Å; I61-I148 HydrophobicContact CG2-CG1 4.45Å
62V95.7Very high95Very high20 Ų2038.2 Ų38.212%0.12120%0.203CC..Hα-helixtrans-62.1-52.5-174.41750000110.5Q58 S64 L65 E66 I75 A77Q58-V62 HydrophobicContact CG-CG2 3.78Å; Q58-V62 WeakPolarHBondContact O-CB 3.12Å; Q58-V62 WeakPolarHBondContact O-CG2 3.24Å; Q58-V62 PolarHBondContact O-N 3.1Å; V62-S64 VanDerWaalsContact C-N 3.31Å; V62-S64 PolarHBondContact O-N 2.88Å; V62-L65 PolarHBondContact O-N 2.86Å; V62-E66 HydrophobicContact CG1-CG 4.18Å; V62-E66 WeakPolarHBondContact O-CB 3.38Å; V62-E66 WeakPolarHBondContact O-CG 3.09Å; V62-E66 PolarHBondContact O-N 2.81Å; V62-I75 HydrophobicContact CG2-CG2 4.17Å; V62-A77 HydrophobicContact CG2-CB 4.05Å
63H94.5Very high95.3Very high41 Ų4136 Ų3619%0.1919%0.192CC..Hα-helixtrans-68.5-28.2-176.7-64.484.3000113K59 E66 K67 P86 I91K59-H63 WeakPolarHBondContact O-CB 3.33Å; K59-H63 PolarHBondContact O-N 3.42Å; K59-H63 PolarHBondContact O-ND1 2.97Å; H63-E66 IonicContact CD2-OE2 2.76Å; H63-K67 WeakPolarHBondContact O-CB 3.4Å; H63-K67 PolarHBondContact O-N 2.65Å; H63-P86 WeakPolarHBondContact CE1-CD 3.17Å; H63-P86 WeakPolarHBondContact ND1-CG 3.48Å; H63-P86 VanDerWaalsContact NE2-CD 3.27Å; H63-P86 WeakPolarHBondContact NE2-CD 3.48Å; H63-I91 HydrophobicContact CB-CD1 3.75Å; H63-I91 HydrophobicContact CB-CG1 3.98Å
64S96.3Very high95.5Very high0 Ų037.1 Ų37.10%020%0.202CC..Hα-helixtrans-70.8-39.2174.2-59.40000112I23 C60 I61 V62 S68 I91 T92I23-S64 VanDerWaalsContact CD1-CB 3.48Å; C60-S64 WeakPolarHBondContact O-CB 3.4Å; C60-S64 PolarHBondContact O-N 3.06Å; C60-S64 VanDerWaalsContact O-N 3.16Å; C60-S64 PolarHBondContact O-OG 2.61Å; I61-S64 PolarHBondContact O-N 3.42Å; V62-S64 VanDerWaalsContact C-N 3.31Å; V62-S64 PolarHBondContact O-N 2.88Å; S64-S68 WeakPolarHBondContact O-CB 3.42Å; S64-S68 PolarHBondContact O-N 2.88Å; S64-S68 PolarHBondContact O-OG 3.49Å; S64-I91 WeakPolarHBondContact OG-CG2 3.44Å; S64-T92 WeakPolarHBondContact CB-O 3.26Å; S64-T92 PolarHBondContact OG-N 2.85Å; S64-T92 PolarHBondContact OG-O 3.33Å
65L97Very high95.6Very high0 Ų039 Ų390%021%0.211CC..Hα-helixtrans-69.2-47.9175.2-71.4172.1000111.3I23 I61 V62 K67 S68 F69 L73 I75 V120I23-L65 HydrophobicContact CD1-CD2 3.75Å; I23-L65 HydrophobicContact CD1-CG 3.9Å; I61-L65 HydrophobicContact CG2-CD1 3.95Å; I61-L65 WeakPolarHBondContact O-CG 3.28Å; I61-L65 PolarHBondContact O-N 3.5Å; I61-L65 VanDerWaalsContact O-N 3.08Å; V62-L65 PolarHBondContact O-N 2.86Å; L65-K67 VanDerWaalsContact C-N 3.33Å; L65-K67 PolarHBondContact O-N 3.14Å; L65-S68 PolarHBondContact O-N 3.16Å; L65-F69 HydrophobicContact CD2-CD2 4.1Å; L65-F69 HydrophobicContact CD2-CE2 3.9Å; L65-F69 WeakPolarHBondContact O-CD2 3.44Å; L65-F69 PolarHBondContact O-N 3.07Å; L65-L73 HydrophobicContact CD2-CD2 4.5Å; L65-I75 HydrophobicContact CB-CD1 3.51Å; L65-I75 HydrophobicContact CB-CG1 4.45Å; L65-I75 HydrophobicContact CD1-CD1 4.15Å; L65-I75 HydrophobicContact CD1-CG1 4.36Å; L65-I75 HydrophobicContact CG-CD1 4.5Å; L65-V120 HydrophobicContact CD1-CB 4.49Å; L65-V120 HydrophobicContact CD1-CG1 3.92Å
66E95.1Very high95.8Very high93 Ų9338 Ų3844%0.43521%0.21SC..Hα-helixtrans-59-43.3177.3-72177.2156.400111.8V62 H63 S68 G70 I75V62-E66 HydrophobicContact CG1-CG 4.18Å; V62-E66 WeakPolarHBondContact O-CB 3.38Å; V62-E66 WeakPolarHBondContact O-CG 3.09Å; V62-E66 PolarHBondContact O-N 2.81Å; H63-E66 IonicContact CD2-OE2 2.76Å; E66-S68 VanDerWaalsContact C-N 3.25Å; E66-S68 PolarHBondContact O-N 3.28Å; E66-G70 VanDerWaalsContact O-CA 3.26Å; E66-G70 WeakPolarHBondContact O-CA 3.38Å; E66-G70 PolarHBondContact O-N 3.4Å; E66-I75 HydrophobicContact CG-CD1 3.84Å
67K94Very high96Very high141 Ų14136.9 Ų36.961%0.61321%0.207SC*.Hα-helixtrans-60.9-35.1175.6-179.2176.9178.8179.20112.4H63 L65 I91H63-K67 WeakPolarHBondContact O-CB 3.4Å; H63-K67 PolarHBondContact O-N 2.65Å; L65-K67 VanDerWaalsContact C-N 3.33Å; L65-K67 PolarHBondContact O-N 3.14Å; K67-I91 HydrophobicContact CD-CG2 3.88Å
68S94.9Very high96Very high46 Ų4638.6 Ų38.632%0.32222%0.215SC..Hα-helixtrans-86.5-33.9-174.3-59.40000113.5S64 L65 E66S64-S68 WeakPolarHBondContact O-CB 3.42Å; S64-S68 PolarHBondContact O-N 2.88Å; S64-S68 PolarHBondContact O-OG 3.49Å; L65-S68 PolarHBondContact O-N 3.16Å; E66-S68 VanDerWaalsContact C-N 3.25Å; E66-S68 PolarHBondContact O-N 3.28Å
69F96.6Very high95.9Very high21 Ų2138.7 Ų38.79%0.09222%0.215CC..Hα-helixtrans-122.6-10.6-169.5-57.5-68.8000114.4W7 K15 V16 L65 L73 L115W7-F69 HydrophobicContact CH2-CE1 4.2Å; W7-F69 AromaticContact CH2-CZ 3.93Å; W7-F69 HydrophobicContact CH2-CZ 3.93Å; W7-F69 HydrophobicContact CZ2-CE1 4.26Å; W7-F69 HydrophobicContact CZ2-CZ 4.4Å; K15-F69 HydrophobicContact CB-CE1 3.88Å; K15-F69 HydrophobicContact CB-CZ 4.22Å; V16-F69 HydrophobicContact CB-CE2 4.48Å; V16-F69 HydrophobicContact CB-CZ 4.29Å; V16-F69 HydrophobicContact CG2-CD1 3.99Å; V16-F69 HydrophobicContact CG2-CD2 4.19Å; V16-F69 HydrophobicContact CG2-CE1 3.77Å; V16-F69 HydrophobicContact CG2-CE2 3.99Å; V16-F69 HydrophobicContact CG2-CG 4.2Å; V16-F69 HydrophobicContact CG2-CZ 3.78Å; L65-F69 HydrophobicContact CD2-CD2 4.1Å; L65-F69 HydrophobicContact CD2-CE2 3.9Å; L65-F69 WeakPolarHBondContact O-CD2 3.44Å; L65-F69 PolarHBondContact O-N 3.07Å; F69-L73 HydrophobicContact CB-CB 3.83Å; F69-L73 HydrophobicContact CB-CD2 3.77Å; F69-L73 HydrophobicContact CB-CG 4.46Å; F69-L73 HydrophobicContact CD2-CD2 3.59Å; F69-L73 HydrophobicContact CE2-CD2 4.46Å; F69-L73 HydrophobicContact CG-CD2 3.83Å; F69-L115 HydrophobicContact CB-CD2 4.34Å; F69-L115 HydrophobicContact CD1-CD2 3.82Å; F69-L115 HydrophobicContact CG-CD2 4.32Å
70G94.8Very high95.6Very high24 Ų2446.5 Ų46.525%0.24725%0.252CS..G310 helixtrans66.3-166.7-179.200000113.4E66 D72E66-G70 VanDerWaalsContact O-CA 3.26Å; E66-G70 WeakPolarHBondContact O-CA 3.38Å; E66-G70 PolarHBondContact O-N 3.4Å; G70-D72 PolarHBondContact O-N 2.92Å
71P93.7Very high95Very high132 Ų13249 Ų4986%0.85727%0.265SS*.G310 helixtrans-73.3-9.7-174.231.1-36.9000114.1L73P71-L73 PolarHBondContact O-N 3.44Å
72D94.9Very high94Very high106 Ų10653.6 Ų53.657%0.56729%0.29SS*.G310 helixtrans-70.6-20.2178.9-72.5-19.4000112.4G70 L115 N116G70-D72 PolarHBondContact O-N 2.92Å; D72-L115 HydrophobicContact CB-CB 4.06Å; D72-L115 CarbonylContact O-C 3.59Å; D72-N116 WeakPolarHBondContact O-CA 3.46Å; D72-N116 PolarHBondContact O-N 3.5Å
73L97.6Very high92.5Very high7 Ų758 Ų584%0.03733%0.328CS..SBendtrans-93.9115.3174.6-177.366.3000109.7V16 L65 F69 P71 I75 L118 V120V16-L73 HydrophobicContact CG1-CD2 4.32Å; V16-L73 HydrophobicContact CG2-CD1 4.15Å; V16-L73 HydrophobicContact CG2-CD2 4.03Å; L65-L73 HydrophobicContact CD2-CD2 4.5Å; F69-L73 HydrophobicContact CB-CB 3.83Å; F69-L73 HydrophobicContact CB-CD2 3.77Å; F69-L73 HydrophobicContact CB-CG 4.46Å; F69-L73 HydrophobicContact CD2-CD2 3.59Å; F69-L73 HydrophobicContact CE2-CD2 4.46Å; F69-L73 HydrophobicContact CG-CD2 3.83Å; P71-L73 PolarHBondContact O-N 3.44Å; L73-I75 HydrophobicContact CD2-CG1 4.46Å; L73-I75 HydrophobicContact CG-CG1 4.34Å; L73-I75 PolarHBondContact O-N 2.93Å; L73-L118 HydrophobicContact CD1-CB 3.73Å; L73-V120 HydrophobicContact CD1-CG2 3.9Å; L73-V120 HydrophobicContact CD2-CG2 3.91Å; L73-V120 HydrophobicContact CG-CG2 4.02Å
74A97.7Very high91.4Very high24 Ų2459.7 Ų59.720%0.19834%0.341CS..EExtended strand (participates in β ladder)trans-72.2130.2173.400000110.3V119 V120A74-V119 HydrophobicContact CB-CG1 4.29Å; A74-V119 HydrophobicContact CB-CG2 4.23Å; A74-V119 WeakPolarHBondContact O-CA 3.46Å; A74-V120 PolarHBondContact O-N 2.75Å
75I97.5Very high89.7Confident40 Ų4064.3 Ų64.321%0.20537%0.373CS..EExtended strand (participates in β ladder)trans-126.2125.1177.1-55163.5000107.9V62 L65 E66 L73 V120 V122V62-I75 HydrophobicContact CG2-CG2 4.17Å; L65-I75 HydrophobicContact CB-CD1 3.51Å; L65-I75 HydrophobicContact CB-CG1 4.45Å; L65-I75 HydrophobicContact CD1-CD1 4.15Å; L65-I75 HydrophobicContact CD1-CG1 4.36Å; L65-I75 HydrophobicContact CG-CD1 4.5Å; E66-I75 HydrophobicContact CG-CD1 3.84Å; L73-I75 HydrophobicContact CD2-CG1 4.46Å; L73-I75 HydrophobicContact CG-CG1 4.34Å; L73-I75 PolarHBondContact O-N 2.93Å; I75-V120 CarbonylContact C-O 3.28Å; I75-V120 WeakPolarHBondContact CA-O 3.25Å; I75-V120 HydrophobicContact CG1-CB 4.35Å; I75-V122 HydrophobicContact CG2-CG2 4.14Å
76I97.5Very high88.2Confident26 Ų2665.1 Ų65.113%0.13338%0.378CS..EExtended strand (participates in β ladder)trans-120.7120175.3-56.4169.3000107.3V119 V120 W121 V122 W258 N286 L290I76-V119 HydrophobicContact CD1-CG1 3.84Å; I76-V119 HydrophobicContact CG1-CG1 4.31Å; I76-V120 PolarHBondContact N-O 3.32Å; I76-W121 HydrophobicContact CB-CD2 4.29Å; I76-W121 HydrophobicContact CB-CE3 3.76Å; I76-W121 HydrophobicContact CB-CH2 4.4Å; I76-W121 HydrophobicContact CB-CZ3 3.82Å; I76-W121 HydrophobicContact CD1-CD2 4.34Å; I76-W121 HydrophobicContact CD1-CE3 4.17Å; I76-W121 HydrophobicContact CD1-CH2 3.35Å; I76-W121 HydrophobicContact CD1-CZ2 3.52Å; I76-W121 HydrophobicContact CD1-CZ3 3.69Å; I76-W121 HydrophobicContact CG1-CH2 4.47Å; I76-W121 HydrophobicContact CG1-CZ3 4.38Å; I76-W121 HydrophobicContact CG2-CE3 3.73Å; I76-W121 HydrophobicContact CG2-CH2 4.19Å; I76-W121 HydrophobicContact CG2-CZ3 3.42Å; I76-W121 VanDerWaalsContact CG2-CZ3 3.42Å; I76-W121 CarbonylContact O-C 3.59Å; I76-W121 WeakPolarHBondContact O-CA 3.26Å; I76-V122 PolarHBondContact O-N 3.08Å; I76-W258 HydrophobicContact CG2-CE3 4.41Å; I76-W258 HydrophobicContact CG2-CZ3 4.2Å; I76-N286 WeakPolarHBondContact CD1-OD1 3.4Å; I76-L290 HydrophobicContact CG2-CD2 4.14Å
77A97.2Very high86.7Confident23 Ų2365.3 Ų65.319%0.1939%0.386CS..EExtended strand (participates in β ladder)trans-126.1156.3-176.500000111Q58 V62 V122Q58-A77 HydrophobicContact CG-CB 3.85Å; Q58-A77 VanDerWaalsContact OE1-CB 3.31Å; V62-A77 HydrophobicContact CG2-CB 4.05Å; A77-V122 WeakPolarHBondContact CA-O 3.14Å; A77-V122 HydrophobicContact CB-CB 3.83Å; A77-V122 HydrophobicContact CB-CG1 4.31Å
78E96.7Very high85.6Confident36 Ų3667 Ų6717%0.16840%0.396CS..SBendtrans-61.9-47.8-173.7173.2160.2176.700114.4K44 V122 W258K44-E78 IonicContact NZ-OE1 3.52Å; K44-E78 PolarHBondContact NZ-OE1 3.25Å; E78-V122 PolarHBondContact N-O 3.47Å; E78-V122 VanDerWaalsContact N-O 3.13Å; E78-W258 VanDerWaalsContact CA-CZ2 3.42Å; E78-W258 HydrophobicContact CB-CD2 4.11Å; E78-W258 VanDerWaalsContact CB-CE2 3.5Å; E78-W258 HydrophobicContact CB-CG 4.48Å; E78-W258 HydrophobicContact CB-CH2 4.33Å; E78-W258 HydrophobicContact CB-CZ2 3.59Å; E78-W258 HydrophobicContact CG-CZ2 3.56Å; E78-W258 PolarHBondContact OE2-NE1 2.94Å
79E94Very high85.1Confident10 Ų1069.6 Ų69.65%0.04741%0.41CS..SBendtrans-88.5137-163-55.8-59.2167.800111.9K44 Q50 D54 Q58 L81 P124K44-E79 IonicContact NZ-OE1 2.69Å; K44-E79 PolarHBondContact NZ-OE1 3.1Å; K44-E79 IonicContact NZ-OE2 2.66Å; K44-E79 PolarHBondContact NZ-OE2 3.29Å; Q50-E79 HydrophobicContact CG-CG 4.38Å; Q50-E79 WeakPolarHBondContact CG-OE2 3.43Å; Q50-E79 PolarHBondContact NE2-OE2 3.2Å; D54-E79 HydrophobicContact CB-CG 4.28Å; Q58-E79 PolarHBondContact NE2-O 3.4Å; Q58-E79 VanDerWaalsContact OE1-CB 3.31Å; E79-L81 HydrophobicContact CB-CD2 4.15Å; E79-L81 HydrophobicContact CB-CG 4.48Å; E79-L81 PolarHBondContact O-N 3.24Å; E79-P124 HydrophobicContact CG-CG 3.88Å
80E87.7Confident84.8Confident187 Ų18769.2 Ų69.287%0.87441%0.408SS*.  trans-78.1108.5163.3-66.4-175.1-179.500108.1
81L83.7Confident84.6Confident51 Ų5169.7 Ų69.727%0.26741%0.405SS..  trans-94.4149.5179-61.7174.9000110.9R55 Q58 K59 E79R55-L81 HydrophobicContact CB-CD2 4.02Å; R55-L81 HydrophobicContact CG-CD2 3.95Å; Q58-L81 HydrophobicContact CB-CD1 4.04Å; Q58-L81 HydrophobicContact CG-CD1 3.86Å; K59-L81 HydrophobicContact CG-CD1 3.65Å; K59-L81 HydrophobicContact CG-CD2 4.48Å; E79-L81 HydrophobicContact CB-CD2 4.15Å; E79-L81 HydrophobicContact CB-CG 4.48Å; E79-L81 PolarHBondContact O-N 3.24Å
82D77Confident84.7Confident97 Ų9764 Ų6452%0.51937%0.368SS..  trans-61.3153.9163.160.830.6000110.9K59 T84K59-D82 IonicContact NZ-OD1 2.92Å; K59-D82 PolarHBondContact NZ-OD1 3.1Å; D82-T84 PolarHBondContact O-N 2.84Å; D82-T84 PolarHBondContact OD1-N 2.88Å; D82-T84 PolarHBondContact OD1-OG1 2.92Å
83A65.1Low84.6Confident112 Ų11264.5 Ų64.593%0.92637%0.37SS*.SBendtrans-69.210.8-179.100000114C85A83-C85 PolarHBondContact O-N 3.08Å
84T70.2Confident84.5Confident77 Ų7771 Ų7147%0.47240%0.399SS..  trans-77111.1-177.465.60000110.2K59 D82K59-T84 PolarHBondContact NZ-O 2.89Å; K59-T84 PolarHBondContact NZ-OG1 2.84Å; D82-T84 PolarHBondContact O-N 2.84Å; D82-T84 PolarHBondContact OD1-N 2.88Å; D82-T84 PolarHBondContact OD1-OG1 2.92Å
85C60Low84.3Confident98 Ų9873 Ų7366%0.66240%0.401SS*.PPolyproline II helixtrans-58.7127.7172.5-171.20000108.7A83A83-C85 PolarHBondContact O-N 3.08Å
86P66.5Low84.3Confident17 Ų1772 Ų7211%0.1140%0.398CS..PPolyproline II helixtrans-66.4156.2-178.7-10.623.4000111.2K59 H63 E88 I90K59-P86 HydrophobicContact CB-CB 4.37Å; K59-P86 HydrophobicContact CB-CG 3.66Å; K59-P86 HydrophobicContact CD-CB 4.5Å; K59-P86 HydrophobicContact CD-CG 4.04Å; K59-P86 HydrophobicContact CG-CG 3.96Å; H63-P86 WeakPolarHBondContact CE1-CD 3.17Å; H63-P86 WeakPolarHBondContact ND1-CG 3.48Å; H63-P86 VanDerWaalsContact NE2-CD 3.27Å; H63-P86 WeakPolarHBondContact NE2-CD 3.48Å; P86-E88 PolarHBondContact O-N 2.99Å; P86-I90 HydrophobicContact CB-CD1 3.19Å; P86-I90 HydrophobicContact CB-CG1 3.5Å; P86-I90 HydrophobicContact CG-CD1 3.68Å; P86-I90 HydrophobicContact CG-CG1 4.27Å
87T64.5Low84.1Confident97 Ų9775.1 Ų75.160%0.59542%0.415SS*.PPolyproline II helixtrans-57.9141.3168.3520000109.9T89 I90T87-T89 PolarHBondContact O-N 2.89Å; T87-T89 PolarHBondContact OG1-OG1 3.25Å; T87-I90 PolarHBondContact O-N 3.48Å; T87-I90 VanDerWaalsContact O-N 3.15Å
88E70.5Confident84Confident176 Ų17679.4 Ų79.482%0.82244%0.435SS*.THydrogen-bonded Turntrans-51.4-19.7-179.1-67.1-171.115900113.9P86 I90 I91P86-E88 PolarHBondContact O-N 2.99Å; E88-I90 VanDerWaalsContact C-N 3.29Å; E88-I90 PolarHBondContact O-N 2.89Å; E88-I91 PolarHBondContact O-N 3.33Å
89T83.8Confident84Confident100 Ų10077.7 Ų77.761%0.61343%0.427SS*.THydrogen-bonded Turntrans-65.1-21-179.657.70000115.3R26 T87R26-T89 PolarHBondContact NH2-O 3.49Å; T87-T89 PolarHBondContact O-N 2.89Å; T87-T89 PolarHBondContact OG1-OG1 3.25Å
90I89.8Confident84.1Confident13 Ų1377.6 Ų77.67%0.06743%0.427CS..SBendtrans-92.8-24.9179.171.4161.7000113.2L30 K59 C60 P86 T87 E88L30-I90 HydrophobicContact CD1-CB 3.86Å; L30-I90 HydrophobicContact CD1-CG2 4.24Å; L30-I90 HydrophobicContact CD2-CG2 4.19Å; K59-I90 HydrophobicContact CB-CD1 3.63Å; C60-I90 HydrophobicContact CB-CD1 4.28Å; C60-I90 PolarHBondContact SG-O 3.32Å; P86-I90 HydrophobicContact CB-CD1 3.19Å; P86-I90 HydrophobicContact CB-CG1 3.5Å; P86-I90 HydrophobicContact CG-CD1 3.68Å; P86-I90 HydrophobicContact CG-CG1 4.27Å; T87-I90 PolarHBondContact O-N 3.48Å; T87-I90 VanDerWaalsContact O-N 3.15Å; E88-I90 VanDerWaalsContact C-N 3.29Å; E88-I90 PolarHBondContact O-N 2.89Å
91I91.8Very high84.4Confident35 Ų3572.7 Ų72.718%0.17941%0.413CS..  trans-74.8145.5-175.8-60.8174.8000109.6H63 S64 K67 E88H63-I91 HydrophobicContact CB-CD1 3.75Å; H63-I91 HydrophobicContact CB-CG1 3.98Å; S64-I91 WeakPolarHBondContact OG-CG2 3.44Å; K67-I91 HydrophobicContact CD-CG2 3.88Å; E88-I91 PolarHBondContact O-N 3.33Å
92T94.2Very high84.8Confident12 Ų1271 Ų717%0.07440%0.404CS..  trans-128.2139.3174.7-178.10000111.1I23 R26 S64 K94I23-T92 HydrophobicContact CB-CG2 4.31Å; I23-T92 HydrophobicContact CG1-CG2 3.66Å; R26-T92 HydrophobicContact CB-CG2 3.75Å; R26-T92 HydrophobicContact CG-CG2 3.95Å; S64-T92 WeakPolarHBondContact CB-O 3.26Å; S64-T92 PolarHBondContact OG-N 2.85Å; S64-T92 PolarHBondContact OG-O 3.33Å; T92-K94 WeakPolarHBondContact OG1-CB 3.35Å; T92-K94 WeakPolarHBondContact OG1-CG 3.5Å; T92-K94 PolarHBondContact OG1-N 3.11Å
93D93.3Very high85.6Confident116 Ų11667.8 Ų67.862%0.6239%0.386SS*.  trans-106.68.6171.964.5-12.2000112.3
94K95.1Very high86.9Confident144 Ų14469 Ų6963%0.62638%0.377SS*.  trans-66.8158.6175.4-63.8-177.3179.8-1780111.4A22 T92A22-K94 HydrophobicContact CB-CB 3.95Å; A22-K94 WeakPolarHBondContact CB-O 3.28Å; T92-K94 WeakPolarHBondContact OG1-CB 3.35Å; T92-K94 WeakPolarHBondContact OG1-CG 3.5Å; T92-K94 PolarHBondContact OG1-N 3.11Å
95Y95Very high87.9Confident66 Ų6668.8 Ų68.826%0.25938%0.378SS..  trans-143.7157.7178.550.6-102.8000109.5A3 W7 S18 D97 L100A3-Y95 HydrophobicContact CB-CE2 4.07Å; A3-Y95 VanDerWaalsContact CB-OH 3.26Å; A3-Y95 WeakPolarHBondContact CB-OH 3.49Å; W7-Y95 AromaticContact CE3-CD1 3.91Å; W7-Y95 HydrophobicContact CE3-CD1 3.91Å; W7-Y95 HydrophobicContact CE3-CD2 4.46Å; W7-Y95 AromaticContact CE3-CG 3.86Å; W7-Y95 HydrophobicContact CE3-CG 3.86Å; W7-Y95 HydrophobicContact CZ3-CD1 4.25Å; W7-Y95 HydrophobicContact CZ3-CG 4.12Å; S18-Y95 WeakPolarHBondContact OG-CB 3.4Å; Y95-D97 WeakPolarHBondContact CE2-OD1 3.42Å; Y95-L100 HydrophobicContact CD2-CD1 3.63Å; Y95-L100 HydrophobicContact CE2-CD1 3.85Å; Y95-L100 HydrophobicContact CG-CD1 4.48Å
96S95.9Very high89.5Confident19 Ų1964.5 Ų64.513%0.13335%0.349CS..  trans-89.1112.6176.9174.30000111.2S18 D98 V99 L100S18-S96 PolarHBondContact O-N 3.02Å; S18-S96 PolarHBondContact OG-N 3.24Å; S18-S96 PolarHBondContact OG-O 2.76Å; S96-D98 PolarHBondContact O-N 3.15Å; S96-V99 PolarHBondContact O-N 3.34Å; S96-V99 PolarHBondContact OG-N 2.85Å; S96-L100 WeakPolarHBondContact O-CG 3.5Å; S96-L100 PolarHBondContact O-N 3.24Å
97D94.5Very high90.8Very high91 Ų9168 Ų6849%0.48737%0.366SS..Hα-helixtrans-60.5-32.3174.9-76.3-34.6000112Y95 V99 L100 S101Y95-D97 WeakPolarHBondContact CE2-OD1 3.42Å; D97-V99 VanDerWaalsContact C-N 3.34Å; D97-V99 PolarHBondContact O-N 2.83Å; D97-L100 PolarHBondContact O-N 2.88Å; D97-S101 PolarHBondContact O-N 3.35Å
98D94.9Very high92.2Very high114 Ų11468 Ų6861%0.6137%0.367SS*.Hα-helixtrans-61.2-42.3175.9-68.5-17.7000111.4S96 S101 W181S96-D98 PolarHBondContact O-N 3.15Å; D98-S101 WeakPolarHBondContact O-CB 3.44Å; D98-S101 PolarHBondContact O-N 2.76Å; D98-S101 PolarHBondContact O-OG 2.87Å; D98-W181 HydrophobicContact CB-CZ2 4.16Å
99V96.8Very high93.4Very high0 Ų067.1 Ų67.10%036%0.36CS..Hα-helixtrans-66.2-43.3174.9177.20000110.8V14 L17 V21 S96 D97 S101 L102 W181V14-V99 HydrophobicContact CG1-CG1 4.26Å; L17-V99 HydrophobicContact CB-CG1 4.04Å; L17-V99 HydrophobicContact CD2-CG1 3.84Å; L17-V99 HydrophobicContact CG-CG1 3.75Å; L17-V99 HydrophobicContact CG-CG2 4.24Å; V21-V99 HydrophobicContact CB-CG2 4.48Å; V21-V99 HydrophobicContact CG2-CG2 3.91Å; S96-V99 PolarHBondContact O-N 3.34Å; S96-V99 PolarHBondContact OG-N 2.85Å; D97-V99 VanDerWaalsContact C-N 3.34Å; D97-V99 PolarHBondContact O-N 2.83Å; V99-S101 PolarHBondContact O-N 3.02Å; V99-L102 WeakPolarHBondContact O-CB 3.32Å; V99-L102 PolarHBondContact O-N 2.94Å; V99-W181 HydrophobicContact CB-CH2 4.36Å; V99-W181 HydrophobicContact CG2-CD2 4.09Å; V99-W181 HydrophobicContact CG2-CE3 4.04Å; V99-W181 HydrophobicContact CG2-CH2 3.63Å; V99-W181 HydrophobicContact CG2-CZ2 3.69Å; V99-W181 HydrophobicContact CG2-CZ3 3.83Å
100L96.2Very high94Very high8 Ų863 Ų634%0.04233%0.334CS..Hα-helixtrans-60.3-31179.3-60.6-175.8000111.9A6 W7 C10 V14 S18 Y95 S96 D97 L102 E103A6-L100 HydrophobicContact CB-CD1 4.26Å; W7-L100 HydrophobicContact CB-CD1 4.36Å; W7-L100 HydrophobicContact CE3-CD1 4.4Å; W7-L100 HydrophobicContact CE3-CD2 4.03Å; C10-L100 HydrophobicContact CB-CD2 4.33Å; V14-L100 HydrophobicContact CG1-CD2 4.17Å; S18-L100 WeakPolarHBondContact OG-CD2 3.48Å; Y95-L100 HydrophobicContact CD2-CD1 3.63Å; Y95-L100 HydrophobicContact CE2-CD1 3.85Å; Y95-L100 HydrophobicContact CG-CD1 4.48Å; S96-L100 WeakPolarHBondContact O-CG 3.5Å; S96-L100 PolarHBondContact O-N 3.24Å; D97-L100 PolarHBondContact O-N 2.88Å; L100-L102 PolarHBondContact O-N 3.42Å; L100-E103 PolarHBondContact O-N 2.86Å
101S93.6Very high94.3Very high84 Ų8465.3 Ų65.359%0.58734%0.344SS*.G310 helixtrans-64.4-19.2177.182.20000114D97 D98 V99 E103D97-S101 PolarHBondContact O-N 3.35Å; D98-S101 WeakPolarHBondContact O-CB 3.44Å; D98-S101 PolarHBondContact O-N 2.76Å; D98-S101 PolarHBondContact O-OG 2.87Å; V99-S101 PolarHBondContact O-N 3.02Å; S101-E103 VanDerWaalsContact C-N 3.33Å; S101-E103 PolarHBondContact O-N 2.99Å
102L93.1Very high94.5Very high16 Ų1670.2 Ų70.28%0.08437%0.366CS..G310 helixtrans-82.5-3.9180-60.1179.7000114.3V99 L100 N104 S105 I106 W181 L183 A186V99-L102 WeakPolarHBondContact O-CB 3.32Å; V99-L102 PolarHBondContact O-N 2.94Å; L100-L102 PolarHBondContact O-N 3.42Å; L102-N104 PolarHBondContact O-N 3.28Å; L102-S105 PolarHBondContact O-N 2.85Å; L102-I106 PolarHBondContact O-N 3.11Å; L102-W181 HydrophobicContact CD1-CH2 3.53Å; L102-W181 HydrophobicContact CD1-CZ3 3.39Å; L102-W181 HydrophobicContact CG-CH2 4.45Å; L102-L183 HydrophobicContact CB-CD2 4.29Å; L102-L183 HydrophobicContact CD1-CD2 4.29Å; L102-A186 HydrophobicContact CD1-CB 3.93Å; L102-A186 HydrophobicContact CD2-CB 4.37Å
103E93.8Very high94.6Very high28 Ų2869.8 Ų69.813%0.13136%0.364CS..G310 helixtrans-50.5-34.3180178.160.9-154.800112.4C10 C11 V14 L100 S101 K111C10-E103 VanDerWaalsContact CA-OE2 3.23Å; C10-E103 WeakPolarHBondContact CA-OE2 3.36Å; C10-E103 HydrophobicContact CB-CG 4.48Å; C10-E103 WeakPolarHBondContact CB-OE2 3.45Å; C11-E103 PolarHBondContact N-OE1 3.01Å; C11-E103 PolarHBondContact N-OE2 3.11Å; V14-E103 WeakPolarHBondContact CG2-OE2 3.5Å; L100-E103 PolarHBondContact O-N 2.86Å; S101-E103 VanDerWaalsContact C-N 3.33Å; S101-E103 PolarHBondContact O-N 2.99Å; E103-K111 WeakPolarHBondContact O-CE 3.23Å; E103-K111 PolarHBondContact O-NZ 2.78Å
104N92.1Very high94.8Very high139 Ų13970.3 Ų70.374%0.74336%0.36SS*.G310 helixtrans-86.8-11.9179.8-69-42.9000114.6L102L102-N104 PolarHBondContact O-N 3.28Å
105S90.4Very high94.8Very high72 Ų7265.4 Ų65.450%0.50334%0.341SS..THydrogen-bonded Turntrans-94.3-17.9-175.7-58.70000114.1L102L102-S105 PolarHBondContact O-N 2.85Å
106I93.3Very high94.9Very high7 Ų767.8 Ų67.84%0.03636%0.358CS..SBendtrans-85.3154.3-177.759.1167.7000113.7V14 L102 L110 K111 L183 A186V14-I106 HydrophobicContact CG2-CD1 3.59Å; L102-I106 PolarHBondContact O-N 3.11Å; I106-L110 HydrophobicContact CB-CB 4.47Å; I106-L110 HydrophobicContact CB-CD1 4.43Å; I106-L110 HydrophobicContact CD1-CB 4.16Å; I106-K111 HydrophobicContact CD1-CG 3.69Å; I106-K111 HydrophobicContact CG1-CD 4.32Å; I106-K111 HydrophobicContact CG1-CG 3.61Å; I106-K111 WeakPolarHBondContact O-CE 3.37Å; I106-L183 HydrophobicContact CG2-CD1 4.45Å; I106-L183 HydrophobicContact CG2-CD2 3.33Å; I106-L183 HydrophobicContact CG2-CG 3.64Å; I106-A186 HydrophobicContact CG2-CB 4.31Å
107D94.3Very high95Very high90 Ų9069.8 Ų69.848%0.48137%0.365SS..  trans-60.2146.3178.1-68.8-32.7000112.8K109 L110 K111 S185D107-K109 PolarHBondContact O-N 3.29Å; D107-K109 VanDerWaalsContact O-N 3.12Å; D107-L110 HydrophobicContact CB-CD1 4.35Å; D107-L110 HydrophobicContact CB-CG 4.39Å; D107-L110 WeakPolarHBondContact O-CB 3.19Å; D107-L110 PolarHBondContact O-N 2.92Å; D107-K111 PolarHBondContact O-N 2.93Å; D107-K111 VanDerWaalsContact O-N 3.11Å; D107-S185 WeakPolarHBondContact OD2-CB 3.33Å; D107-S185 PolarHBondContact OD2-OG 3.12Å
108T94.6Very high95.2Very high99 Ų9965.5 Ų65.561%0.60734%0.343SS*.Hα-helixtrans-53.4-37.4179.7-52.70000113L110 K111 Q112T108-L110 VanDerWaalsContact C-N 3.32Å; T108-L110 PolarHBondContact O-N 3.48Å; T108-K111 PolarHBondContact O-N 2.9Å; T108-Q112 WeakPolarHBondContact O-CG 3.2Å; T108-Q112 PolarHBondContact O-N 3.1Å
109K95.3Very high95.3Very high156 Ų15660.6 Ų60.668%0.67832%0.317SS*.Hα-helixtrans-62.1-39.8177.3-175.3-178.8177.3-175.90111.8D107 Q112D107-K109 PolarHBondContact O-N 3.29Å; D107-K109 VanDerWaalsContact O-N 3.12Å; K109-Q112 PolarHBondContact O-N 3.45Å
110L96.7Very high95.4Very high13 Ų1360.6 Ų60.67%0.06832%0.317CS..Hα-helixtrans-71.8-35.1178.1-63.2175.4000111.5L13 I106 D107 T108 Q112 A113 M152 V157 R184L13-L110 HydrophobicContact CD2-CB 3.94Å; L13-L110 HydrophobicContact CD2-CD2 4.08Å; L13-L110 HydrophobicContact CD2-CG 4.48Å; I106-L110 HydrophobicContact CB-CB 4.47Å; I106-L110 HydrophobicContact CB-CD1 4.43Å; I106-L110 HydrophobicContact CD1-CB 4.16Å; D107-L110 HydrophobicContact CB-CD1 4.35Å; D107-L110 HydrophobicContact CB-CG 4.39Å; D107-L110 WeakPolarHBondContact O-CB 3.19Å; D107-L110 PolarHBondContact O-N 2.92Å; T108-L110 VanDerWaalsContact C-N 3.32Å; T108-L110 PolarHBondContact O-N 3.48Å; L110-Q112 PolarHBondContact O-N 3.11Å; L110-A113 VanDerWaalsContact O-CB 3.28Å; L110-A113 WeakPolarHBondContact O-CB 3.39Å; L110-A113 PolarHBondContact O-N 3.25Å; L110-M152 HydrophobicContact CD2-CE 3.74Å; L110-M152 HydrophobicContact CD2-SD 4.49Å; L110-V157 HydrophobicContact CD2-CB 4.23Å; L110-V157 HydrophobicContact CD2-CG1 3.88Å; L110-R184 HydrophobicContact CD1-CB 3.7Å; L110-R184 WeakPolarHBondContact CD1-O 3.45Å
111K95.5Very high95.6Very high63 Ų6360.2 Ų60.227%0.27432%0.315SS..Hα-helixtrans-63.5-25.9174.6-62.9-167-165.3-161.60113.7C11 E103 I106 D107 T108 A113C11-K111 WeakPolarHBondContact CB-O 3.49Å; E103-K111 WeakPolarHBondContact O-CE 3.23Å; E103-K111 PolarHBondContact O-NZ 2.78Å; I106-K111 HydrophobicContact CD1-CG 3.69Å; I106-K111 HydrophobicContact CG1-CD 4.32Å; I106-K111 HydrophobicContact CG1-CG 3.61Å; I106-K111 WeakPolarHBondContact O-CE 3.37Å; D107-K111 PolarHBondContact O-N 2.93Å; D107-K111 VanDerWaalsContact O-N 3.11Å; T108-K111 PolarHBondContact O-N 2.9Å; K111-A113 VanDerWaalsContact C-N 3.32Å
112Q96.1Very high95.8Very high138 Ų13856.2 Ų56.265%0.64529%0.287SS*.THydrogen-bonded Turntrans-86.1-2.7-179.3-70.5176.2-3.700113.7T108 K109 L110 K114T108-Q112 WeakPolarHBondContact O-CG 3.2Å; T108-Q112 PolarHBondContact O-N 3.1Å; K109-Q112 PolarHBondContact O-N 3.45Å; L110-Q112 PolarHBondContact O-N 3.11Å; Q112-K114 PolarHBondContact O-N 3.12Å
113A96.1Very high96.1Very high3 Ų355.6 Ų55.63%0.02528%0.283CS..  trans-55.1130.6-179.700000111.7P12 L13 L110 K111 L118 M152P12-A113 WeakPolarHBondContact CD-O 3.36Å; P12-A113 VanDerWaalsContact CG-O 3.3Å; P12-A113 WeakPolarHBondContact CG-O 3.15Å; L13-A113 HydrophobicContact CB-CB 4.12Å; L110-A113 VanDerWaalsContact O-CB 3.28Å; L110-A113 WeakPolarHBondContact O-CB 3.39Å; L110-A113 PolarHBondContact O-N 3.25Å; K111-A113 VanDerWaalsContact C-N 3.32Å; A113-L118 HydrophobicContact CB-CD2 4.28Å; A113-M152 HydrophobicContact CB-SD 3.6Å; A113-M152 VanDerWaalsContact CB-SD 3.6Å
114K97Very high96.2Very high126 Ų12654.3 Ų54.355%0.54828%0.277SS..  trans-94153.2171.7-60.5176.3-174.5171.10110.1Q112 N116 E117Q112-K114 PolarHBondContact O-N 3.12Å; K114-N116 VanDerWaalsContact CB-OD1 3.28Å; K114-N116 WeakPolarHBondContact CB-OD1 3.47Å; K114-N116 PolarHBondContact O-N 2.65Å; K114-E117 HydrophobicContact CB-CG 4.13Å; K114-E117 PolarHBondContact N-OE2 3.3Å; K114-E117 WeakPolarHBondContact O-CB 3.49Å; K114-E117 PolarHBondContact O-N 3.25Å
115L96.8Very high96.5Very high41 Ų4147.7 Ų47.722%0.21524%0.242CC..G310 helixtrans-54.8-41.7179.5-76.5173.9000112.6P12 V16 F69 D72 E117 L118P12-L115 HydrophobicContact CB-CD2 3.8Å; P12-L115 HydrophobicContact CB-CG 3.93Å; P12-L115 HydrophobicContact CG-CG 4.46Å; V16-L115 HydrophobicContact CG2-CD2 3.94Å; F69-L115 HydrophobicContact CB-CD2 4.34Å; F69-L115 HydrophobicContact CD1-CD2 3.82Å; F69-L115 HydrophobicContact CG-CD2 4.32Å; D72-L115 HydrophobicContact CB-CB 4.06Å; D72-L115 CarbonylContact O-C 3.59Å; L115-E117 PolarHBondContact O-N 3.39Å; L115-L118 WeakPolarHBondContact O-CB 3.21Å; L115-L118 PolarHBondContact O-N 3.12Å
116N96.5Very high96.8Very high117 Ų11744.7 Ų44.763%0.62622%0.22SC*.G310 helixtrans-73.7-4.6-179.968.2-12.4000115.3D72 K114D72-N116 WeakPolarHBondContact O-CA 3.46Å; D72-N116 PolarHBondContact O-N 3.5Å; K114-N116 VanDerWaalsContact CB-OD1 3.28Å; K114-N116 WeakPolarHBondContact CB-OD1 3.47Å; K114-N116 PolarHBondContact O-N 2.65Å
117E97.1Very high96.8Very high61 Ų6144.8 Ų44.829%0.28522%0.223SC..G310 helixtrans-93.3-10.3171.1-63.3169.9159.600111.7K114 L115 M152 N153K114-E117 HydrophobicContact CB-CG 4.13Å; K114-E117 PolarHBondContact N-OE2 3.3Å; K114-E117 WeakPolarHBondContact O-CB 3.49Å; K114-E117 PolarHBondContact O-N 3.25Å; L115-E117 PolarHBondContact O-N 3.39Å; E117-M152 HydrophobicContact CB-CG 4.43Å; E117-M152 WeakPolarHBondContact O-CA 3.35Å; E117-N153 PolarHBondContact O-N 3.01Å; E117-N153 VanDerWaalsContact O-N 3.16Å
118L98.4Very high96.8Very high1 Ų141.2 Ų41.21%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-96.8139.7-178.1-57.1179.6000111.1L13 V16 L73 A113 L115 V150 A151 M152L13-L118 HydrophobicContact CB-CD1 4.35Å; L13-L118 HydrophobicContact CD1-CD1 4.49Å; L13-L118 HydrophobicContact CD1-CD2 4.16Å; V16-L118 HydrophobicContact CB-CD1 4.48Å; V16-L118 HydrophobicContact CG2-CD1 4.1Å; L73-L118 HydrophobicContact CD1-CB 3.73Å; A113-L118 HydrophobicContact CB-CD2 4.28Å; L115-L118 WeakPolarHBondContact O-CB 3.21Å; L115-L118 PolarHBondContact O-N 3.12Å; L118-V150 HydrophobicContact CB-CG1 4.43Å; L118-V150 HydrophobicContact CD2-CG1 4.26Å; L118-A151 CarbonylContact C-O 3.36Å; L118-A151 VanDerWaalsContact CA-O 3.3Å; L118-A151 WeakPolarHBondContact CA-O 3.47Å; L118-M152 HydrophobicContact CD2-CB 3.81Å; L118-M152 HydrophobicContact CD2-CG 4.03Å
119V98.6Very high96.6Very high11 Ų1138.8 Ų38.87%0.06719%0.185CC..EExtended strand (participates in β ladder)trans-127.3124.1171.7-1740000108A74 I76 W121 A151 N286A74-V119 HydrophobicContact CB-CG1 4.29Å; A74-V119 HydrophobicContact CB-CG2 4.23Å; A74-V119 WeakPolarHBondContact O-CA 3.46Å; I76-V119 HydrophobicContact CD1-CG1 3.84Å; I76-V119 HydrophobicContact CG1-CG1 4.31Å; V119-W121 HydrophobicContact CG1-CZ2 4.41Å; V119-A151 PolarHBondContact N-O 3.06Å; V119-A151 PolarHBondContact O-N 2.97Å; V119-N286 HydrophobicContact CG2-CB 3.96Å
120V98.8Very high96.4Very high0 Ų031.7 Ų31.70%015%0.154CC..EExtended strand (participates in β ladder)trans-96.3125.4175.5-173.50000109.3V16 L65 L73 A74 I75 I76 V122 I148 G149 V150V16-V120 HydrophobicContact CG1-CG2 3.98Å; L65-V120 HydrophobicContact CD1-CB 4.49Å; L65-V120 HydrophobicContact CD1-CG1 3.92Å; L73-V120 HydrophobicContact CD1-CG2 3.9Å; L73-V120 HydrophobicContact CD2-CG2 3.91Å; L73-V120 HydrophobicContact CG-CG2 4.02Å; A74-V120 PolarHBondContact O-N 2.75Å; I75-V120 CarbonylContact C-O 3.28Å; I75-V120 WeakPolarHBondContact CA-O 3.25Å; I75-V120 HydrophobicContact CG1-CB 4.35Å; I76-V120 PolarHBondContact N-O 3.32Å; V120-V122 HydrophobicContact CG1-CG2 3.86Å; V120-I148 HydrophobicContact CG1-CG2 3.51Å; V120-G149 CarbonylContact C-O 3.54Å; V120-G149 VanDerWaalsContact CA-O 3.31Å; V120-G149 WeakPolarHBondContact CA-O 3.12Å; V120-V150 HydrophobicContact CG2-CG2 4.42Å
121W98.7Very high96.1Very high0 Ų031.3 Ų31.30%015%0.152CC..EExtended strand (participates in β ladder)trans-107122.8176.3-67.990.4000109.4I76 V119 I148 G149 K257 W258 C261 Y284 V288 L290I76-W121 HydrophobicContact CB-CD2 4.29Å; I76-W121 HydrophobicContact CB-CE3 3.76Å; I76-W121 HydrophobicContact CB-CH2 4.4Å; I76-W121 HydrophobicContact CB-CZ3 3.82Å; I76-W121 HydrophobicContact CD1-CD2 4.34Å; I76-W121 HydrophobicContact CD1-CE3 4.17Å; I76-W121 HydrophobicContact CD1-CH2 3.35Å; I76-W121 HydrophobicContact CD1-CZ2 3.52Å; I76-W121 HydrophobicContact CD1-CZ3 3.69Å; I76-W121 HydrophobicContact CG1-CH2 4.47Å; I76-W121 HydrophobicContact CG1-CZ3 4.38Å; I76-W121 HydrophobicContact CG2-CE3 3.73Å; I76-W121 HydrophobicContact CG2-CH2 4.19Å; I76-W121 HydrophobicContact CG2-CZ3 3.42Å; I76-W121 VanDerWaalsContact CG2-CZ3 3.42Å; I76-W121 CarbonylContact O-C 3.59Å; I76-W121 WeakPolarHBondContact O-CA 3.26Å; V119-W121 HydrophobicContact CG1-CZ2 4.41Å; W121-I148 CarbonylContact O-C 3.6Å; W121-I148 WeakPolarHBondContact O-CA 3.4Å; W121-G149 PolarHBondContact N-O 3.4Å; W121-G149 PolarHBondContact O-N 2.87Å; W121-K257 HydrophobicContact CD2-CB 3.77Å; W121-K257 HydrophobicContact CE3-CB 3.45Å; W121-K257 VanDerWaalsContact CE3-CB 3.45Å; W121-K257 HydrophobicContact CE3-CG 4.4Å; W121-K257 HydrophobicContact CH2-CB 3.74Å; W121-K257 HydrophobicContact CH2-CG 3.79Å; W121-K257 HydrophobicContact CZ2-CB 4.06Å; W121-K257 HydrophobicContact CZ2-CG 4.15Å; W121-K257 HydrophobicContact CZ3-CB 3.43Å; W121-K257 VanDerWaalsContact CZ3-CB 3.43Å; W121-K257 HydrophobicContact CZ3-CG 3.94Å; W121-W258 HydrophobicContact CE3-CE3 4.18Å; W121-W258 HydrophobicContact CZ3-CE3 4.31Å; W121-C261 HydrophobicContact CB-CB 3.89Å; W121-C261 HydrophobicContact CG-CB 4.16Å; W121-Y284 PolarHBondContact NE1-O 2.83Å; W121-V288 HydrophobicContact CH2-CG2 3.84Å; W121-V288 HydrophobicContact CZ2-CG2 3.78Å; W121-L290 HydrophobicContact CH2-CD2 3.88Å; W121-L290 HydrophobicContact CZ3-CD2 3.69Å
122V98.7Very high95.7Very high0 Ų028.9 Ų28.90%014%0.143CC..EExtended strand (participates in β ladder)trans-121.7118.7-171.2-179.40000110.8I61 I75 I76 A77 E78 V120 M147I61-V122 HydrophobicContact CB-CG1 4.24Å; I61-V122 HydrophobicContact CD1-CG1 3.73Å; I61-V122 HydrophobicContact CG2-CB 4.46Å; I61-V122 HydrophobicContact CG2-CG1 3.76Å; I61-V122 HydrophobicContact CG2-CG2 3.8Å; I75-V122 HydrophobicContact CG2-CG2 4.14Å; I76-V122 PolarHBondContact O-N 3.08Å; A77-V122 WeakPolarHBondContact CA-O 3.14Å; A77-V122 HydrophobicContact CB-CB 3.83Å; A77-V122 HydrophobicContact CB-CG1 4.31Å; E78-V122 PolarHBondContact N-O 3.47Å; E78-V122 VanDerWaalsContact N-O 3.13Å; V120-V122 HydrophobicContact CG1-CG2 3.86Å; V122-M147 WeakPolarHBondContact CA-O 3.48Å
123D98.5Very high95.1Very high3 Ų324.1 Ų24.12%0.01612%0.121CC..EExtended strand (participates in β ladder)trans-100.9109.4156.3-167.5-34.9000107.5L125 D126 M147 W258D123-L125 VanDerWaalsContact C-N 3.26Å; D123-L125 PolarHBondContact O-N 2.78Å; D123-L125 PolarHBondContact OD1-N 3.49Å; D123-D126 HydrophobicContact CB-CB 4.42Å; D123-D126 WeakPolarHBondContact OD1-CA 3.44Å; D123-D126 PolarHBondContact OD1-N 2.89Å; D123-D126 WeakPolarHBondContact OD2-CB 3.32Å; D123-M147 HydrophobicContact CB-CB 3.96Å; D123-M147 HydrophobicContact CB-CG 4.41Å; D123-M147 PolarHBondContact N-O 3.09Å; D123-M147 PolarHBondContact O-N 3.39Å; D123-W258 HydrophobicContact CB-CB 4.08Å; D123-W258 HydrophobicContact CB-CG 4.3Å
124P97.8Very high94.4Very high0 Ų025 Ų250%013%0.125CC..EExtended strand (participates in β ladder)trans-72.6-20.1-176.132.9-37.5000113S57 Q58 I61 E79 I146S57-P124 VanDerWaalsContact CB-O 3.24Å; S57-P124 WeakPolarHBondContact CB-O 3.45Å; S57-P124 PolarHBondContact OG-O 2.98Å; Q58-P124 HydrophobicContact CB-CB 3.58Å; Q58-P124 HydrophobicContact CB-CG 3.89Å; Q58-P124 HydrophobicContact CG-CB 4.35Å; Q58-P124 HydrophobicContact CG-CG 4.45Å; I61-P124 HydrophobicContact CD1-CB 4.36Å; E79-P124 HydrophobicContact CG-CG 3.88Å; P124-I146 WeakPolarHBondContact O-CG1 3.43Å
125L97.2Very high93.4Very high0 Ų024.1 Ų24.10%013%0.134CC..EExtended strand (participates in β ladder)trans-163.170.6-179.2-162.974.2000111.8V31 A53 D54 D123 G127 T128 F131 V144 T145V31-L125 HydrophobicContact CB-CD1 4.3Å; V31-L125 HydrophobicContact CG1-CD1 3.63Å; V31-L125 HydrophobicContact CG2-CD1 3.63Å; A53-L125 HydrophobicContact CB-CD2 3.83Å; D54-L125 HydrophobicContact CB-CB 4.3Å; D54-L125 WeakPolarHBondContact OD1-CB 3.3Å; D54-L125 WeakPolarHBondContact OD2-CD2 3.42Å; D123-L125 VanDerWaalsContact C-N 3.26Å; D123-L125 PolarHBondContact O-N 2.78Å; D123-L125 PolarHBondContact OD1-N 3.49Å; L125-G127 PolarHBondContact O-N 3.28Å; L125-T128 PolarHBondContact O-N 3.18Å; L125-T128 PolarHBondContact O-OG1 2.91Å; L125-F131 HydrophobicContact CD2-CB 4.4Å; L125-F131 HydrophobicContact CD2-CD1 3.81Å; L125-F131 HydrophobicContact CD2-CE1 4.33Å; L125-F131 HydrophobicContact CD2-CG 4.13Å; L125-V144 HydrophobicContact CD1-CG1 3.23Å; L125-V144 HydrophobicContact CD2-CG1 4.46Å; L125-V144 HydrophobicContact CG-CG1 3.62Å; L125-T145 CarbonylContact C-O 3.58Å; L125-T145 WeakPolarHBondContact CA-O 3.48Å
126D97.2Very high92.4Very high9 Ų928.3 Ų28.35%0.04816%0.156CC..EExtended strand (participates in β ladder)trans-59.7124.5174.8166.152.7000110.1D123 V144 T145 M147 G232 A233 G234D123-D126 HydrophobicContact CB-CB 4.42Å; D123-D126 WeakPolarHBondContact OD1-CA 3.44Å; D123-D126 PolarHBondContact OD1-N 2.89Å; D123-D126 WeakPolarHBondContact OD2-CB 3.32Å; D126-V144 CarbonylContact O-C 3.58Å; D126-V144 VanDerWaalsContact O-CA 3.27Å; D126-V144 WeakPolarHBondContact O-CA 3.35Å; D126-T145 WeakPolarHBondContact CB-OG1 3.19Å; D126-T145 PolarHBondContact N-O 3.12Å; D126-T145 PolarHBondContact O-N 3.49Å; D126-T145 PolarHBondContact OD2-OG1 3.28Å; D126-M147 HydrophobicContact CB-CG 4.2Å; D126-M147 HydrophobicContact CB-SD 4.12Å; D126-G232 VanDerWaalsContact CG-CA 3.46Å; D126-G232 VanDerWaalsContact OD1-CA 3.23Å; D126-G232 WeakPolarHBondContact OD1-CA 3.42Å; D126-G232 WeakPolarHBondContact OD2-CA 3.37Å; D126-A233 PolarHBondContact OD1-N 3.38Å; D126-A233 PolarHBondContact OD2-N 2.84Å; D126-G234 PolarHBondContact OD2-N 2.9Å
127G93.9Very high91.5Very high10 Ų1026.6 Ų26.610%0.10315%0.147CC..THydrogen-bonded Turntrans94.327.5-174.200000114.8L125 Y129 E130 F131L125-G127 PolarHBondContact O-N 3.28Å; G127-Y129 PolarHBondContact O-N 3.29Å; G127-E130 WeakPolarHBondContact O-CB 3.39Å; G127-E130 PolarHBondContact O-N 2.84Å; G127-F131 PolarHBondContact O-N 3.14Å
128T93.3Very high90.5Very high14 Ų1432.3 Ų32.39%0.08617%0.171CC..Hα-helixtrans-50.4-39.3177.6-430000113.8L49 T51 D54 L125 F131 S132L49-T128 HydrophobicContact CB-CG2 4.19Å; L49-T128 WeakPolarHBondContact O-CG2 3.15Å; T51-T128 HydrophobicContact CG2-CG2 3.79Å; D54-T128 WeakPolarHBondContact OD1-CB 3.28Å; D54-T128 WeakPolarHBondContact OD1-CG2 3.37Å; D54-T128 PolarHBondContact OD1-OG1 3.27Å; D54-T128 WeakPolarHBondContact OD2-CG2 3.45Å; L125-T128 PolarHBondContact O-N 3.18Å; L125-T128 PolarHBondContact O-OG1 2.91Å; T128-F131 WeakPolarHBondContact O-CB 3.24Å; T128-F131 PolarHBondContact O-N 3.29Å; T128-S132 WeakPolarHBondContact O-CB 3.37Å; T128-S132 PolarHBondContact O-N 3.03Å; T128-S132 PolarHBondContact O-OG 2.78Å
129Y91.4Very high89.5Confident49 Ų4933.1 Ų33.119%0.19218%0.179CC..Hα-helixtrans-61.2-49.6176.8-176.9-95.5000111.1R47 L49 G127 F131 S132 M133 S209R47-Y129 HydrophobicContact CB-CD2 3.83Å; R47-Y129 HydrophobicContact CB-CE2 3.94Å; R47-Y129 HydrophobicContact CG-CD2 4.12Å; R47-Y129 HydrophobicContact CG-CE2 3.69Å; L49-Y129 HydrophobicContact CD1-CD2 3.9Å; L49-Y129 HydrophobicContact CG-CD2 4.47Å; G127-Y129 PolarHBondContact O-N 3.29Å; Y129-F131 VanDerWaalsContact C-N 3.31Å; Y129-F131 PolarHBondContact O-N 2.94Å; Y129-S132 PolarHBondContact O-N 3.24Å; Y129-S132 PolarHBondContact O-OG 2.92Å; Y129-M133 HydrophobicContact CD1-CG 4.24Å; Y129-M133 HydrophobicContact CE1-CG 3.9Å; Y129-M133 HydrophobicContact CE2-CG 4.39Å; Y129-M133 VanDerWaalsContact O-CG 3.26Å; Y129-M133 WeakPolarHBondContact O-CG 3.26Å; Y129-M133 PolarHBondContact O-N 2.93Å; Y129-M133 VanDerWaalsContact O-N 3.12Å; Y129-S209 WeakPolarHBondContact CD1-OG 3.38Å; Y129-S209 WeakPolarHBondContact CE1-OG 3.34Å
130E89.6Confident88.8Confident6 Ų635.7 Ų35.73%0.02819%0.188CC..Hα-helixtrans-60-40.2174.9-80.572.3-145.200112.5G127 M133 E134 H143 S209 G231G127-E130 WeakPolarHBondContact O-CB 3.39Å; G127-E130 PolarHBondContact O-N 2.84Å; E130-M133 PolarHBondContact O-N 2.77Å; E130-E134 PolarHBondContact O-N 3.19Å; E130-H143 HydrophobicContact CB-CB 4.42Å; E130-H143 HydrophobicContact CG-CB 4.43Å; E130-S209 PolarHBondContact OE1-OG 2.77Å; E130-G231 WeakPolarHBondContact OE2-CA 3.36Å
131F90.6Very high88.3Confident5 Ų536.3 Ų36.32%0.02219%0.192CC..Hα-helixtrans-60-48.1175.1-171.6-116.1000112.2V31 Y35 L39 T51 A53 L125 G127 T128 Y129 M133 E134 V141 V144 Y165V31-F131 HydrophobicContact CG1-CE2 4.3Å; V31-F131 HydrophobicContact CG1-CZ 4.32Å; Y35-F131 HydrophobicContact CD2-CE2 4.44Å; L39-F131 HydrophobicContact CD1-CD1 3.96Å; L39-F131 HydrophobicContact CD1-CE1 3.79Å; L39-F131 HydrophobicContact CD2-CE1 3.68Å; L39-F131 HydrophobicContact CD2-CZ 4.16Å; L39-F131 HydrophobicContact CG-CE1 4.39Å; T51-F131 HydrophobicContact CG2-CD1 4.42Å; A53-F131 HydrophobicContact CB-CD1 4.34Å; A53-F131 HydrophobicContact CB-CE1 3.6Å; A53-F131 HydrophobicContact CB-CZ 4.15Å; L125-F131 HydrophobicContact CD2-CB 4.4Å; L125-F131 HydrophobicContact CD2-CD1 3.81Å; L125-F131 HydrophobicContact CD2-CE1 4.33Å; L125-F131 HydrophobicContact CD2-CG 4.13Å; G127-F131 PolarHBondContact O-N 3.14Å; T128-F131 WeakPolarHBondContact O-CB 3.24Å; T128-F131 PolarHBondContact O-N 3.29Å; Y129-F131 VanDerWaalsContact C-N 3.31Å; Y129-F131 PolarHBondContact O-N 2.94Å; F131-M133 PolarHBondContact O-N 2.93Å; F131-E134 WeakPolarHBondContact O-CB 3.45Å; F131-E134 PolarHBondContact O-N 3.18Å; F131-V141 HydrophobicContact CD2-CG1 3.8Å; F131-V141 HydrophobicContact CE2-CG1 4.17Å; F131-V144 HydrophobicContact CB-CG2 3.66Å; F131-V144 HydrophobicContact CD2-CG2 4.04Å; F131-V144 HydrophobicContact CG-CG2 4.27Å; F131-Y165 HydrophobicContact CD2-CE2 4.42Å; F131-Y165 AromaticContact CE2-CE2 3.94Å; F131-Y165 HydrophobicContact CE2-CE2 3.94Å
132S87.4Confident87.9Confident12 Ų1236.5 Ų36.58%0.08419%0.193CC..Hα-helixtrans-65.4-28.4-178.6750000113.2L49 T128 Y129L49-S132 VanDerWaalsContact CD1-OG 3.26Å; L49-S132 WeakPolarHBondContact CD1-OG 3.34Å; T128-S132 WeakPolarHBondContact O-CB 3.37Å; T128-S132 PolarHBondContact O-N 3.03Å; T128-S132 PolarHBondContact O-OG 2.78Å; Y129-S132 PolarHBondContact O-N 3.24Å; Y129-S132 PolarHBondContact O-OG 2.92Å
133M84.2Confident87.6Confident39 Ų3937 Ų3719%0.19220%0.195CC..Hα-helixtrans-85.3-7.1-177.6-68.7-63.5102.400113.5Y129 E130 F131 S135 L136 L137Y129-M133 HydrophobicContact CD1-CG 4.24Å; Y129-M133 HydrophobicContact CE1-CG 3.9Å; Y129-M133 HydrophobicContact CE2-CG 4.39Å; Y129-M133 VanDerWaalsContact O-CG 3.26Å; Y129-M133 WeakPolarHBondContact O-CG 3.26Å; Y129-M133 PolarHBondContact O-N 2.93Å; Y129-M133 VanDerWaalsContact O-N 3.12Å; E130-M133 PolarHBondContact O-N 2.77Å; F131-M133 PolarHBondContact O-N 2.93Å; M133-S135 PolarHBondContact O-N 3.01Å; M133-L136 HydrophobicContact CE-CD1 4.35Å; M133-L136 CarbonylContact O-C 3.49Å; M133-L136 PolarHBondContact O-N 3.2Å; M133-L136 HydrophobicContact SD-CD1 4.08Å; M133-L137 PolarHBondContact O-N 3.42Å
134E80.5Confident87.5Confident21 Ų2136.9 Ų36.910%0.09819%0.194CC..THydrogen-bonded Turntrans-56.2-37.8-175.5-17865.9-16000113.2Y35 E130 F131 L136 L137 K138 G139 Y140 V141Y35-E134 HydrophobicContact CE2-CG 3.91Å; E130-E134 PolarHBondContact O-N 3.19Å; F131-E134 WeakPolarHBondContact O-CB 3.45Å; F131-E134 PolarHBondContact O-N 3.18Å; E134-L136 PolarHBondContact O-N 3.45Å; E134-L137 WeakPolarHBondContact CA-O 3.45Å; E134-L137 CarbonylContact O-C 3.57Å; E134-K138 WeakPolarHBondContact OE1-CA 3.37Å; E134-G139 PolarHBondContact OE1-N 3.35Å; E134-G139 PolarHBondContact OE2-N 3.4Å; E134-G139 VanDerWaalsContact OE2-N 3.17Å; E134-Y140 PolarHBondContact OE2-N 2.9Å; E134-V141 HydrophobicContact CB-CG1 3.68Å; E134-V141 HydrophobicContact CG-CG1 3.58Å; E134-V141 HydrophobicContact CG-CG2 4.44Å; E134-V141 PolarHBondContact OE2-N 3.22Å
135S76.4Confident87.5Confident108 Ų10836.9 Ų36.976%0.75519%0.194SC*.THydrogen-bonded Turntrans-63.3-26.6178.563.90000113.1M133M133-S135 PolarHBondContact O-N 3.01Å
136L76.1Confident87.5Confident128 Ų12836.9 Ų36.967%0.6719%0.194SC*.THydrogen-bonded Turntrans-99.1-35.9-179.4-62.4176.7000112.1M133 E134M133-L136 HydrophobicContact CE-CD1 4.35Å; M133-L136 CarbonylContact O-C 3.49Å; M133-L136 PolarHBondContact O-N 3.2Å; M133-L136 HydrophobicContact SD-CD1 4.08Å; E134-L136 PolarHBondContact O-N 3.45Å
137L76.6Confident87.6Confident82 Ų8236.4 Ų36.443%0.42919%0.192SC..SBendtrans-136.8100.9-173.3-57.9175000107.8M133 E134 Y140 R208M133-L137 PolarHBondContact O-N 3.42Å; E134-L137 WeakPolarHBondContact CA-O 3.45Å; E134-L137 CarbonylContact O-C 3.57Å; L137-Y140 HydrophobicContact CB-CD2 3.81Å; L137-Y140 HydrophobicContact CB-CE2 3.67Å; L137-Y140 HydrophobicContact CD1-CE2 4.45Å; L137-Y140 VanDerWaalsContact O-CD2 3.25Å; L137-Y140 WeakPolarHBondContact O-CD2 3.07Å; L137-R208 VanDerWaalsContact CD1-NH2 3.29Å
138K76.5Confident87.9Confident181 Ų18136 Ų3679%0.78719%0.187SC*.THydrogen-bonded Turntrans-68.8153.6-176.9-66.2-175.8178.3179.20112.3E134E134-K138 WeakPolarHBondContact OE1-CA 3.37Å
139G77.4Confident88.1Confident17 Ų1735.3 Ų35.318%0.17518%0.183CC..THydrogen-bonded Turntrans92.614.1169.200000114.4E134 S142E134-G139 PolarHBondContact OE1-N 3.35Å; E134-G139 PolarHBondContact OE2-N 3.4Å; E134-G139 VanDerWaalsContact OE2-N 3.17Å; G139-S142 PolarHBondContact O-OG 2.77Å
140Y84.6Confident88.5Confident65 Ų6533 Ų3326%0.25517%0.174SC..  trans-106.5-12.8-179.4-67.5-60.1000113.7E134 L137 S142 H143 R208E134-Y140 PolarHBondContact OE2-N 2.9Å; L137-Y140 HydrophobicContact CB-CD2 3.81Å; L137-Y140 HydrophobicContact CB-CE2 3.67Å; L137-Y140 HydrophobicContact CD1-CE2 4.45Å; L137-Y140 VanDerWaalsContact O-CD2 3.25Å; L137-Y140 WeakPolarHBondContact O-CD2 3.07Å; Y140-S142 PolarHBondContact O-N 3.38Å; Y140-H143 AromaticContact CD1-CE1 3.46Å; Y140-H143 VanDerWaalsContact CD1-CE1 3.46Å; Y140-H143 WeakPolarHBondContact CD1-CE1 3.44Å; Y140-H143 AromaticContact CD1-ND1 3.64Å; Y140-H143 AromaticContact CE1-CE1 3.9Å; Y140-H143 VanDerWaalsContact O-CB 3.28Å; Y140-H143 WeakPolarHBondContact O-CB 3.34Å; Y140-H143 PolarHBondContact O-N 2.81Å; Y140-R208 VanDerWaalsContact CE1-CZ 3.47Å; Y140-R208 PolarHBondContact OH-NH2 2.85Å
141V88.7Confident88.9Confident14 Ų1432.7 Ų32.79%0.08517%0.173CC..G310 helixtrans-63-22.2172.6-71.90000114.5Y35 F131 E134 H143 V144 Y165Y35-V141 HydrophobicContact CD2-CG1 4.27Å; Y35-V141 HydrophobicContact CE2-CB 4.4Å; Y35-V141 HydrophobicContact CE2-CG1 3.73Å; Y35-V141 HydrophobicContact CE2-CG2 4.15Å; F131-V141 HydrophobicContact CD2-CG1 3.8Å; F131-V141 HydrophobicContact CE2-CG1 4.17Å; E134-V141 HydrophobicContact CB-CG1 3.68Å; E134-V141 HydrophobicContact CG-CG1 3.58Å; E134-V141 HydrophobicContact CG-CG2 4.44Å; E134-V141 PolarHBondContact OE2-N 3.22Å; V141-H143 PolarHBondContact O-N 3.02Å; V141-V144 WeakPolarHBondContact O-CB 3.44Å; V141-V144 PolarHBondContact O-N 3.21Å; V141-Y165 HydrophobicContact CB-CD2 3.77Å; V141-Y165 HydrophobicContact CB-CE2 4.12Å; V141-Y165 HydrophobicContact CB-CG 4.03Å; V141-Y165 HydrophobicContact CG1-CE2 4.49Å; V141-Y165 HydrophobicContact CG2-CD1 4.36Å; V141-Y165 HydrophobicContact CG2-CD2 4.35Å; V141-Y165 HydrophobicContact CG2-CG 4.08Å; V141-Y165 WeakPolarHBondContact O-CD2 3.46Å
142S89.6Confident89.3Confident4 Ų433.1 Ų33.13%0.02818%0.175CC..G310 helixtrans-65.2-18.8170.359.70000112.1G139 Y140 V144 Q163 E168 H235G139-S142 PolarHBondContact O-OG 2.77Å; Y140-S142 PolarHBondContact O-N 3.38Å; S142-V144 VanDerWaalsContact C-N 3.26Å; S142-V144 PolarHBondContact O-N 3.3Å; S142-Q163 PolarHBondContact O-NE2 3.06Å; S142-E168 WeakPolarHBondContact OG-CG 3.24Å; S142-H235 PolarHBondContact O-ND1 3.31Å
143H93.3Very high89.6Confident10 Ų1037.9 Ų37.95%0.04620%0.2CC..G310 helixtrans-80.8-9.4177-61175.8000113.3E130 Y140 V141 G231 H235E130-H143 HydrophobicContact CB-CB 4.42Å; E130-H143 HydrophobicContact CG-CB 4.43Å; Y140-H143 AromaticContact CD1-CE1 3.46Å; Y140-H143 VanDerWaalsContact CD1-CE1 3.46Å; Y140-H143 WeakPolarHBondContact CD1-CE1 3.44Å; Y140-H143 AromaticContact CD1-ND1 3.64Å; Y140-H143 AromaticContact CE1-CE1 3.9Å; Y140-H143 VanDerWaalsContact O-CB 3.28Å; Y140-H143 WeakPolarHBondContact O-CB 3.34Å; Y140-H143 PolarHBondContact O-N 2.81Å; V141-H143 PolarHBondContact O-N 3.02Å; H143-G231 PolarHBondContact ND1-N 3.3Å; H143-G231 VanDerWaalsContact ND1-N 3.17Å; H143-H235 HydrophobicContact CB-CB 4.45Å; H143-H235 AromaticContact CD2-CD2 3.5Å; H143-H235 AromaticContact CD2-CE1 3.87Å; H143-H235 AromaticContact CD2-NE2 3.29Å; H143-H235 PolarHBondContact CD2-NE2 2.71Å; H143-H235 VanDerWaalsContact CD2-NE2 3.29Å; H143-H235 AromaticContact CG-CD2 3.89Å; H143-H235 AromaticContact NE2-NE2 3.81Å; H143-H235 VanDerWaalsContact O-CB 3.24Å; H143-H235 WeakPolarHBondContact O-CB 3.27Å
144V94.7Very high90.3Very high0 Ų036.3 Ų36.30%019%0.193CC..  trans-82.8134.3-173.1-179.60000109.9L125 D126 F131 V141 S142 P164L125-V144 HydrophobicContact CD1-CG1 3.23Å; L125-V144 HydrophobicContact CD2-CG1 4.46Å; L125-V144 HydrophobicContact CG-CG1 3.62Å; D126-V144 CarbonylContact O-C 3.58Å; D126-V144 VanDerWaalsContact O-CA 3.27Å; D126-V144 WeakPolarHBondContact O-CA 3.35Å; F131-V144 HydrophobicContact CB-CG2 3.66Å; F131-V144 HydrophobicContact CD2-CG2 4.04Å; F131-V144 HydrophobicContact CG-CG2 4.27Å; V141-V144 WeakPolarHBondContact O-CB 3.44Å; V141-V144 PolarHBondContact O-N 3.21Å; S142-V144 VanDerWaalsContact C-N 3.26Å; S142-V144 PolarHBondContact O-N 3.3Å; V144-P164 VanDerWaalsContact O-CD 3.23Å; V144-P164 WeakPolarHBondContact O-CD 2.95Å
145T97.9Very high91.1Very high0 Ų039 Ų390%021%0.212CC..EExtended strand (participates in β ladder)trans-134.5164.5175.771.40000112.2L125 D126 I161 H162 Q163 G234 H235 L238L125-T145 CarbonylContact C-O 3.58Å; L125-T145 WeakPolarHBondContact CA-O 3.48Å; D126-T145 WeakPolarHBondContact CB-OG1 3.19Å; D126-T145 PolarHBondContact N-O 3.12Å; D126-T145 PolarHBondContact O-N 3.49Å; D126-T145 PolarHBondContact OD2-OG1 3.28Å; T145-I161 HydrophobicContact CG2-CG2 3.86Å; T145-H162 CarbonylContact C-O 3.48Å; T145-H162 VanDerWaalsContact CA-O 3.23Å; T145-H162 WeakPolarHBondContact CA-O 3.28Å; T145-H162 WeakPolarHBondContact CB-O 3.49Å; T145-Q163 HydrophobicContact CG2-CB 4.37Å; T145-Q163 HydrophobicContact CG2-CG 4.41Å; T145-G234 WeakPolarHBondContact OG1-CA 3.45Å; T145-H235 HydrophobicContact CG2-CB 4.21Å; T145-L238 HydrophobicContact CG2-CD1 4.27Å
146I98.7Very high92.1Very high0 Ų034 Ų340%018%0.176CC..EExtended strand (participates in β ladder)trans-114.6125.8167.1-55.9-178.2000105.4A27 V31 I61 P124 I148 I161 H162 P164A27-I146 HydrophobicContact CB-CD1 3.6Å; V31-I146 HydrophobicContact CG2-CD1 4.18Å; I61-I146 HydrophobicContact CD1-CG2 3.62Å; P124-I146 WeakPolarHBondContact O-CG1 3.43Å; I146-I148 HydrophobicContact CG2-CG1 4.49Å; I146-I161 WeakPolarHBondContact O-CA 3.23Å; I146-H162 HydrophobicContact CB-CB 4.3Å; I146-H162 PolarHBondContact N-O 3.34Å; I146-H162 PolarHBondContact O-N 2.91Å; I146-P164 HydrophobicContact CD1-CG 4.35Å; I146-P164 HydrophobicContact CG1-CG 4.27Å
147M98.8Very high93.2Very high0 Ų028.2 Ų28.20%015%0.146CC..EExtended strand (participates in β ladder)trans-115.7124.1-176.2-55-172.153.800110.5V122 D123 D126 V160 I161 A233 G234 D259 A262 A263V122-M147 WeakPolarHBondContact CA-O 3.48Å; D123-M147 HydrophobicContact CB-CB 3.96Å; D123-M147 HydrophobicContact CB-CG 4.41Å; D123-M147 PolarHBondContact N-O 3.09Å; D123-M147 PolarHBondContact O-N 3.39Å; D126-M147 HydrophobicContact CB-CG 4.2Å; D126-M147 HydrophobicContact CB-SD 4.12Å; M147-V160 WeakPolarHBondContact CA-O 3.42Å; M147-I161 HydrophobicContact CE-CD1 4.27Å; M147-I161 HydrophobicContact CE-CG1 4.37Å; M147-I161 HydrophobicContact CG-CG1 4.36Å; M147-A233 HydrophobicContact SD-CB 4.46Å; M147-G234 WeakPolarHBondContact SD-CA 3.45Å; M147-G234 PolarHBondContact SD-N 3.33Å; M147-G234 VanDerWaalsContact SD-N 3.4Å; M147-D259 VanDerWaalsContact CE-O 3.23Å; M147-D259 WeakPolarHBondContact CE-O 3.34Å; M147-A262 HydrophobicContact CB-CB 4.26Å; M147-A262 HydrophobicContact CE-CB 3.97Å; M147-A263 HydrophobicContact CE-CB 3.91Å
148I98.9Very high94.3Very high0 Ų024.3 Ų24.30%013%0.126CC..EExtended strand (participates in β ladder)trans-126.4102174.4-52.5179.8000108.1I23 A24 I61 V120 W121 I146 G159 V160I23-I148 HydrophobicContact CG2-CD1 4.43Å; A24-I148 HydrophobicContact CB-CD1 3.94Å; I61-I148 HydrophobicContact CD1-CD1 4.44Å; I61-I148 HydrophobicContact CG1-CD1 4.33Å; I61-I148 HydrophobicContact CG2-CD1 3.88Å; I61-I148 HydrophobicContact CG2-CG1 4.45Å; V120-I148 HydrophobicContact CG1-CG2 3.51Å; W121-I148 CarbonylContact O-C 3.6Å; W121-I148 WeakPolarHBondContact O-CA 3.4Å; I146-I148 HydrophobicContact CG2-CG1 4.49Å; I148-G159 CarbonylContact O-C 3.6Å; I148-G159 WeakPolarHBondContact O-CA 3.41Å; I148-V160 HydrophobicContact CB-CB 4.27Å; I148-V160 PolarHBondContact N-O 3.45Å; I148-V160 PolarHBondContact O-N 2.8Å
149G98.9Very high95.3Very high0 Ų015.7 Ų15.70%09%0.088CC..EExtended strand (participates in β ladder)trans-94.7141.7174.200000111V120 W121V120-G149 CarbonylContact C-O 3.54Å; V120-G149 VanDerWaalsContact CA-O 3.31Å; V120-G149 WeakPolarHBondContact CA-O 3.12Å; W121-G149 PolarHBondContact N-O 3.4Å; W121-G149 PolarHBondContact O-N 2.87Å
150V98.8Very high96.3Very high1 Ų114.9 Ų14.91%0.0068%0.08CC..EExtended strand (participates in β ladder)trans-120.2117.7173.8-173.80000108L13 V16 L118 V120 V157 A158L13-V150 HydrophobicContact CD1-CG1 3.98Å; V16-V150 HydrophobicContact CG1-CG1 4.21Å; V16-V150 HydrophobicContact CG1-CG2 3.96Å; L118-V150 HydrophobicContact CB-CG1 4.43Å; L118-V150 HydrophobicContact CD2-CG1 4.26Å; V120-V150 HydrophobicContact CG2-CG2 4.42Å; V150-V157 HydrophobicContact CG1-CG2 4.43Å; V150-V157 WeakPolarHBondContact O-CG2 3.36Å; V150-V157 PolarHBondContact O-N 3.03Å; V150-A158 HydrophobicContact CB-CB 4.08Å; V150-A158 HydrophobicContact CG2-CB 4.35Å; V150-A158 PolarHBondContact N-O 2.88Å; V150-A158 PolarHBondContact O-N 3.43Å; V150-A158 VanDerWaalsContact O-N 3.11Å
151A98.7Very high97Very high0 Ų011.8 Ų11.80%07%0.068CC..EExtended strand (participates in β ladder)trans-105.8141.2175.800000110.9L118 V119 T155 Y284L118-A151 CarbonylContact C-O 3.36Å; L118-A151 VanDerWaalsContact CA-O 3.3Å; L118-A151 WeakPolarHBondContact CA-O 3.47Å; V119-A151 PolarHBondContact N-O 3.06Å; V119-A151 PolarHBondContact O-N 2.97Å; A151-T155 CarbonylContact C-O 3.56Å; A151-T155 WeakPolarHBondContact CA-O 3.23Å; A151-Y284 VanDerWaalsContact CB-CB 3.43Å; A151-Y284 HydrophobicContact CB-CG 4.4Å
152M97.9Very high97.5Very high13 Ų1311.3 Ų11.36%0.0647%0.065CC..EExtended strand (participates in β ladder)trans-115.8121171.7-176-177.27100108L110 A113 E117 L118 G154 T155 V157L110-M152 HydrophobicContact CD2-CE 3.74Å; L110-M152 HydrophobicContact CD2-SD 4.49Å; A113-M152 HydrophobicContact CB-SD 3.6Å; A113-M152 VanDerWaalsContact CB-SD 3.6Å; E117-M152 HydrophobicContact CB-CG 4.43Å; E117-M152 WeakPolarHBondContact O-CA 3.35Å; L118-M152 HydrophobicContact CD2-CB 3.81Å; L118-M152 HydrophobicContact CD2-CG 4.03Å; M152-G154 PolarHBondContact O-N 3.01Å; M152-G154 VanDerWaalsContact O-N 3.16Å; M152-T155 PolarHBondContact N-O 3.17Å; M152-T155 PolarHBondContact O-N 2.77Å; M152-T155 VanDerWaalsContact O-N 3.1Å; M152-V157 HydrophobicContact CB-CB 4.39Å; M152-V157 HydrophobicContact CB-CG1 3.78Å; M152-V157 HydrophobicContact CB-CG2 3.7Å; M152-V157 HydrophobicContact CE-CG1 4.33Å
153N95.4Very high97.8Very high113 Ų11311.5 Ų11.560%0.6047%0.065SC*.THydrogen-bonded Turntrans50.937.1-176.9-61.9-47.8000113.5E117 T155E117-N153 PolarHBondContact O-N 3.01Å; E117-N153 VanDerWaalsContact O-N 3.16Å; N153-T155 PolarHBondContact O-N 2.85Å
154G97Very high97.9Very high5 Ų511 Ų115%0.0526%0.063CC..THydrogen-bonded Turntrans83.9-3.1177.900000116.3M152 Y284M152-G154 PolarHBondContact O-N 3.01Å; M152-G154 VanDerWaalsContact O-N 3.16Å; G154-Y284 PolarHBondContact O-N 3.01Å
155T97.7Very high97.7Very high79 Ų7911.4 Ų11.449%0.4856%0.064SC..EExtended strand (participates in β ladder)trans-101.2132.5173.2-58.40000110.1A151 M152 N153 V157A151-T155 CarbonylContact C-O 3.56Å; A151-T155 WeakPolarHBondContact CA-O 3.23Å; M152-T155 PolarHBondContact N-O 3.17Å; M152-T155 PolarHBondContact O-N 2.77Å; M152-T155 VanDerWaalsContact O-N 3.1Å; N153-T155 PolarHBondContact O-N 2.85Å; T155-V157 PolarHBondContact O-N 2.8Å
156P98.4Very high96.8Very high2 Ų212.7 Ų12.71%0.0137%0.072CC..EExtended strand (participates in β ladder)trans-69.9119.8178.726.6-28.3000110.1R184 E264 C265 Y284P156-R184 VanDerWaalsContact O-CZ 3.24Å; P156-R184 PolarHBondContact O-NE 2.58Å; P156-R184 PolarHBondContact O-NH2 2.8Å; P156-E264 HydrophobicContact CG-CB 4.16Å; P156-E264 HydrophobicContact CG-CG 3.83Å; P156-E264 WeakPolarHBondContact CG-OE1 3.35Å; P156-C265 HydrophobicContact CB-CB 4.29Å; P156-Y284 HydrophobicContact CB-CD2 4.37Å; P156-Y284 HydrophobicContact CB-CE2 4.36Å; P156-Y284 HydrophobicContact CG-CD2 4.07Å; P156-Y284 HydrophobicContact CG-CE2 3.83Å
157V98.5Very high95.4Very high6 Ų618.8 Ų18.84%0.03610%0.099CC..EExtended strand (participates in β ladder)trans-113.5-16.8-174.9-67.80000114.8L13 L110 V150 M152 T155 R184 C265L13-V157 HydrophobicContact CD1-CG2 3.64Å; L13-V157 HydrophobicContact CD2-CB 4.46Å; L13-V157 HydrophobicContact CD2-CG2 4.16Å; L110-V157 HydrophobicContact CD2-CB 4.23Å; L110-V157 HydrophobicContact CD2-CG1 3.88Å; V150-V157 HydrophobicContact CG1-CG2 4.43Å; V150-V157 WeakPolarHBondContact O-CG2 3.36Å; V150-V157 PolarHBondContact O-N 3.03Å; M152-V157 HydrophobicContact CB-CB 4.39Å; M152-V157 HydrophobicContact CB-CG1 3.78Å; M152-V157 HydrophobicContact CB-CG2 3.7Å; M152-V157 HydrophobicContact CE-CG1 4.33Å; T155-V157 PolarHBondContact O-N 2.8Å; V157-R184 VanDerWaalsContact CA-CG 3.47Å; V157-R184 HydrophobicContact CB-CG 4.11Å; V157-R184 HydrophobicContact CG1-CG 4.33Å; V157-R184 VanDerWaalsContact O-CG 3.31Å; V157-R184 WeakPolarHBondContact O-CG 2.85Å; V157-R184 PolarHBondContact O-N 2.78Å; V157-C265 VanDerWaalsContact C-SG 3.59Å
158A98.8Very high93.4Very high0 Ų024.3 Ų24.30%012%0.124CC..EExtended strand (participates in β ladder)trans-150.1158.9169.900000109.8L13 L17 V150 A182 L183 C265L13-A158 HydrophobicContact CD1-CB 4.37Å; L17-A158 HydrophobicContact CB-CB 4.24Å; L17-A158 HydrophobicContact CD1-CB 4.11Å; L17-A158 HydrophobicContact CD2-CB 3.95Å; L17-A158 HydrophobicContact CG-CB 4.31Å; V150-A158 HydrophobicContact CB-CB 4.08Å; V150-A158 HydrophobicContact CG2-CB 4.35Å; V150-A158 PolarHBondContact N-O 2.88Å; V150-A158 PolarHBondContact O-N 3.43Å; V150-A158 VanDerWaalsContact O-N 3.11Å; A158-A182 VanDerWaalsContact CA-O 3.25Å; A158-A182 WeakPolarHBondContact CA-O 3.11Å; A158-A182 WeakPolarHBondContact CB-O 3.33Å; A158-L183 HydrophobicContact CB-CD1 4.02Å; A158-C265 WeakPolarHBondContact CA-SG 3.45Å
159G98.8Very high90.8Very high0 Ų031.3 Ų31.30%016%0.162CC..EExtended strand (participates in β ladder)trans-156.2144-179.800000111.8I148 W181 A182I148-G159 CarbonylContact O-C 3.6Å; I148-G159 WeakPolarHBondContact O-CA 3.41Å; G159-W181 CarbonylContact O-C 3.59Å; G159-W181 WeakPolarHBondContact O-CA 3.34Å; G159-W181 WeakPolarHBondContact O-CB 3Å; G159-A182 PolarHBondContact N-O 3.45Å; G159-A182 PolarHBondContact O-N 2.94Å
160V98.9Very high88.5Confident1 Ų135.3 Ų35.31%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-127.2129.3173.8-173.60000108.1L17 V21 A24 M147 I148 T179 W181L17-V160 HydrophobicContact CD1-CG2 3.52Å; V21-V160 HydrophobicContact CG2-CG1 4.4Å; V21-V160 HydrophobicContact CG2-CG2 3.79Å; A24-V160 HydrophobicContact CB-CG1 3.81Å; M147-V160 WeakPolarHBondContact CA-O 3.42Å; I148-V160 HydrophobicContact CB-CB 4.27Å; I148-V160 PolarHBondContact N-O 3.45Å; I148-V160 PolarHBondContact O-N 2.8Å; V160-T179 HydrophobicContact CG1-CG2 3.59Å; V160-W181 HydrophobicContact CB-CB 4.42Å; V160-W181 HydrophobicContact CG1-CB 4.42Å; V160-W181 HydrophobicContact CG2-CB 4.03Å
161I98.8Very high86.1Confident0 Ų045 Ų450%022%0.223CC..EExtended strand (participates in β ladder)trans-119.9112.7165-63.3177.3000106.8T145 I146 M147 V180 A237 L238 A262 A263 L266T145-I161 HydrophobicContact CG2-CG2 3.86Å; I146-I161 WeakPolarHBondContact O-CA 3.23Å; M147-I161 HydrophobicContact CE-CD1 4.27Å; M147-I161 HydrophobicContact CE-CG1 4.37Å; M147-I161 HydrophobicContact CG-CG1 4.36Å; I161-V180 PolarHBondContact N-O 3.19Å; I161-V180 PolarHBondContact O-N 3.42Å; I161-A237 HydrophobicContact CD1-CB 4.19Å; I161-L238 HydrophobicContact CB-CD2 4.38Å; I161-L238 HydrophobicContact CG2-CD1 3.86Å; I161-L238 HydrophobicContact CG2-CD2 4.11Å; I161-L238 HydrophobicContact CG2-CG 3.98Å; I161-A262 HydrophobicContact CG1-CB 4.19Å; I161-A263 HydrophobicContact CD1-CB 4.32Å; I161-L266 HydrophobicContact CB-CD1 4.04Å; I161-L266 HydrophobicContact CD1-CD1 3.42Å; I161-L266 VanDerWaalsContact CD1-CD1 3.42Å; I161-L266 HydrophobicContact CG1-CD1 3.45Å; I161-L266 VanDerWaalsContact CG1-CD1 3.45Å
162H98.4Very high83.7Confident4 Ų450.3 Ų50.32%0.01926%0.255CS..EExtended strand (participates in β ladder)trans-101.3126.8171.2-176.780.6000109.2A24 T145 I146 P164 R178 T179A24-H162 HydrophobicContact CB-CB 3.82Å; A24-H162 PolarHBondContact O-CD2 3.29Å; T145-H162 CarbonylContact C-O 3.48Å; T145-H162 VanDerWaalsContact CA-O 3.23Å; T145-H162 WeakPolarHBondContact CA-O 3.28Å; T145-H162 WeakPolarHBondContact CB-O 3.49Å; I146-H162 HydrophobicContact CB-CB 4.3Å; I146-H162 PolarHBondContact N-O 3.34Å; I146-H162 PolarHBondContact O-N 2.91Å; H162-P164 WeakPolarHBondContact O-CD 3.38Å; H162-R178 CarbonylContact C-O 3.56Å; H162-R178 WeakPolarHBondContact CA-O 3.25Å; H162-R178 PolarHBondContact ND1-O 3.27Å; H162-R178 VanDerWaalsContact ND1-O 3.1Å; H162-T179 HydrophobicContact CB-CG2 4.45Å; H162-T179 PolarHBondContact ND1-OG1 3.41Å
163Q96.3Very high81.4Confident7 Ų752.7 Ų52.73%0.03327%0.268CS..EExtended strand (participates in β ladder)trans-102.9106.4174.2-171.2-178.146.900107.8S142 T145 Y165 G177 R178 H235 L238S142-Q163 PolarHBondContact O-NE2 3.06Å; T145-Q163 HydrophobicContact CG2-CB 4.37Å; T145-Q163 HydrophobicContact CG2-CG 4.41Å; Q163-Y165 WeakPolarHBondContact CG-O 3.47Å; Q163-Y165 PolarHBondContact O-N 2.88Å; Q163-G177 CarbonylContact O-C 3.41Å; Q163-G177 WeakPolarHBondContact O-CA 3.23Å; Q163-R178 HydrophobicContact CB-CG 4Å; Q163-R178 PolarHBondContact N-O 2.92Å; Q163-R178 PolarHBondContact O-N 2.56Å; Q163-R178 VanDerWaalsContact OE1-CZ 3.26Å; Q163-R178 VanDerWaalsContact OE1-NH2 3.07Å; Q163-H235 PolarHBondContact NE2-ND1 3.31Å; Q163-L238 HydrophobicContact CB-CD1 4.26Å
164P94.7Very high79.8Confident0 Ų051.7 Ų51.70%026%0.261CS..SBendtrans-62.7-26.6-173.9-2434.7000113.7V31 R32 V144 I146 H162 G177V31-P164 HydrophobicContact CB-CG 4.42Å; V31-P164 HydrophobicContact CG1-CB 4.23Å; V31-P164 HydrophobicContact CG1-CG 4.16Å; R32-P164 VanDerWaalsContact CD-O 3.24Å; R32-P164 WeakPolarHBondContact CD-O 3.39Å; R32-P164 HydrophobicContact CG-CB 4.17Å; R32-P164 PolarHBondContact NH1-O 3.13Å; V144-P164 VanDerWaalsContact O-CD 3.23Å; V144-P164 WeakPolarHBondContact O-CD 2.95Å; I146-P164 HydrophobicContact CD1-CG 4.35Å; I146-P164 HydrophobicContact CG1-CG 4.27Å; H162-P164 WeakPolarHBondContact O-CD 3.38Å; P164-G177 VanDerWaalsContact O-CA 3.28Å; P164-G177 WeakPolarHBondContact O-CA 3.31Å
165Y90.9Very high78.3Confident9 Ų959.1 Ų59.14%0.03529%0.294CS..  trans-123.5115.7-178.7-53.2-87.8000110.7V31 R32 Y35 F131 V141 Q163V31-Y165 HydrophobicContact CG1-CE2 4.18Å; R32-Y165 WeakPolarHBondContact CA-OH 3.45Å; R32-Y165 HydrophobicContact CG-CD1 4.32Å; R32-Y165 HydrophobicContact CG-CE1 3.76Å; R32-Y165 HydrophobicContact CG-CE2 4.47Å; Y35-Y165 WeakPolarHBondContact CB-OH 3.36Å; Y35-Y165 AromaticContact CD2-CE1 3.79Å; Y35-Y165 HydrophobicContact CD2-CE1 3.79Å; Y35-Y165 AromaticContact CD2-CZ 3.75Å; Y35-Y165 WeakPolarHBondContact CD2-OH 3.06Å; Y35-Y165 HydrophobicContact CE2-CE1 4.33Å; Y35-Y165 HydrophobicContact CG-CE1 4.23Å; F131-Y165 HydrophobicContact CD2-CE2 4.42Å; F131-Y165 AromaticContact CE2-CE2 3.94Å; F131-Y165 HydrophobicContact CE2-CE2 3.94Å; V141-Y165 HydrophobicContact CB-CD2 3.77Å; V141-Y165 HydrophobicContact CB-CE2 4.12Å; V141-Y165 HydrophobicContact CB-CG 4.03Å; V141-Y165 HydrophobicContact CG1-CE2 4.49Å; V141-Y165 HydrophobicContact CG2-CD1 4.36Å; V141-Y165 HydrophobicContact CG2-CD2 4.35Å; V141-Y165 HydrophobicContact CG2-CG 4.08Å; V141-Y165 WeakPolarHBondContact O-CD2 3.46Å; Q163-Y165 WeakPolarHBondContact CG-O 3.47Å; Q163-Y165 PolarHBondContact O-N 2.88Å
166T78.8Confident77.6Confident26 Ų2661.7 Ų61.716%0.1630%0.301CS..  trans-105.3120.317860.40000109.6Q176 R178T166-Q176 PolarHBondContact OG1-O 2.88Å; T166-R178 HydrophobicContact CG2-CB 3.62Å; T166-R178 HydrophobicContact CG2-CG 3.37Å
167K70.9Confident77.3Confident128 Ų12862.6 Ų62.656%0.55731%0.311SS*.  trans83.6140.4-173.1-53.8177.1176.3179.60116.6E170K167-E170 VanDerWaalsContact CD-CD 3.49Å; K167-E170 HydrophobicContact CD-CG 4.35Å; K167-E170 WeakPolarHBondContact CD-OE1 3.42Å; K167-E170 WeakPolarHBondContact CD-OE2 3.27Å; K167-E170 IonicContact NZ-OE1 2.76Å; K167-E170 PolarHBondContact NZ-OE1 2.61Å; K167-E170 IonicContact NZ-OE2 3.22Å; K167-E170 PolarHBondContact NZ-OE2 2.97Å
168E55.1Low77.1Confident116 Ų11663.9 Ų63.954%0.54232%0.315SS..SBendtrans-81.9-18.8-172.2-70.4163.2-168.900114S142S142-E168 WeakPolarHBondContact OG-CG 3.24Å
169N45.1Very low77.1Confident147 Ų14764.3 Ų64.379%0.78632%0.318SS*.SBendtrans-133.77.1-161.3-71.8-42.8000116.2
170E50.4Low77.1Confident85 Ų8564.4 Ų64.440%0.39732%0.318SS..  trans-108.7102.6-175.6-74.7177.4-160.500110.5K167 T172 N173K167-E170 VanDerWaalsContact CD-CD 3.49Å; K167-E170 HydrophobicContact CD-CG 4.35Å; K167-E170 WeakPolarHBondContact CD-OE1 3.42Å; K167-E170 WeakPolarHBondContact CD-OE2 3.27Å; K167-E170 IonicContact NZ-OE1 2.76Å; K167-E170 PolarHBondContact NZ-OE1 2.61Å; K167-E170 IonicContact NZ-OE2 3.22Å; K167-E170 PolarHBondContact NZ-OE2 2.97Å; E170-T172 PolarHBondContact O-N 2.92Å; E170-N173 PolarHBondContact O-N 3.03Å
171K49.5Very low77.1Confident204 Ų20465 Ų6589%0.88732%0.32SS*.THydrogen-bonded Turntrans-51.8-7.9165.2-73.5-175177179.80113.4
172T47.6Very low77.1Confident111 Ų11165 Ų6568%0.68132%0.32SS*.THydrogen-bonded Turntrans-107.8-6.3-168.852.10000114.2E170E170-T172 PolarHBondContact O-N 2.92Å
173N48.9Very low77Confident63 Ų6364.8 Ų64.834%0.33732%0.319SS..  trans-121.928.6-177.9-124.820.1000114.5E170 E175E170-N173 PolarHBondContact O-N 3.03Å; N173-E175 PolarHBondContact O-N 2.83Å; N173-E175 VanDerWaalsContact O-N 3.14Å
174M61.9Low77.1Confident93 Ų9365.8 Ų65.846%0.45832%0.323SS..THydrogen-bonded Turntrans-724.7172.2-63.5-145.8-61.700113.8R32 Y35R32-M174 WeakPolarHBondContact CD-O 3.36Å; Y35-M174 HydrophobicContact CD1-CE 3.95Å; Y35-M174 HydrophobicContact CD1-SD 3.74Å; Y35-M174 HydrophobicContact CE1-CE 4.03Å; Y35-M174 HydrophobicContact CE1-SD 3.58Å; Y35-M174 VanDerWaalsContact CE1-SD 3.58Å; Y35-M174 HydrophobicContact CG-SD 4.39Å
175E66.7Low77.1Confident161 Ų16168.5 Ų68.575%0.75234%0.341SS*.THydrogen-bonded Turntrans-92.4-26.9-175.2-62.4-167.6166.300112.6R32 N173R32-E175 PolarHBondContact NE-O 3.39Å; R32-E175 PolarHBondContact NH2-O 3.03Å; N173-E175 PolarHBondContact O-N 2.83Å; N173-E175 VanDerWaalsContact O-N 3.14Å
176Q82.3Confident77.3Confident133 Ų13368.8 Ų68.862%0.62135%0.346SS*.  trans-132.5123.7-172.2-60.6-175.46.800111.9T166T166-Q176 PolarHBondContact OG1-O 2.88Å
177G92.1Very high78.2Confident21 Ų2168.5 Ų68.522%0.21635%0.348CS..  trans-84.2-179.5164.400000110.3Q163 P164Q163-G177 CarbonylContact O-C 3.41Å; Q163-G177 WeakPolarHBondContact O-CA 3.23Å; P164-G177 VanDerWaalsContact O-CA 3.28Å; P164-G177 WeakPolarHBondContact O-CA 3.31Å
178R95.2Very high79.4Confident32 Ų3263.3 Ų63.312%0.12133%0.327CS..EExtended strand (participates in β ladder)trans-122.8151.117168-176.6176.1158.40.5111.6H162 Q163 T166 D191 E242H162-R178 CarbonylContact C-O 3.56Å; H162-R178 WeakPolarHBondContact CA-O 3.25Å; H162-R178 PolarHBondContact ND1-O 3.27Å; H162-R178 VanDerWaalsContact ND1-O 3.1Å; Q163-R178 HydrophobicContact CB-CG 4Å; Q163-R178 PolarHBondContact N-O 2.92Å; Q163-R178 PolarHBondContact O-N 2.56Å; Q163-R178 VanDerWaalsContact OE1-CZ 3.26Å; Q163-R178 VanDerWaalsContact OE1-NH2 3.07Å; T166-R178 HydrophobicContact CG2-CB 3.62Å; T166-R178 HydrophobicContact CG2-CG 3.37Å; R178-D191 HydrophobicContact CB-CB 3.94Å; R178-D191 WeakPolarHBondContact CB-OD2 3.49Å; R178-E242 IonicContact CZ-OE1 2.95Å; R178-E242 IonicContact NH1-OE1 3.97Å; R178-E242 PolarHBondContact NH1-OE1 2.93Å; R178-E242 IonicContact NH2-OE1 2.86Å; R178-E242 PolarHBondContact NH2-OE1 3.17Å; R178-E242 IonicContact NH2-OE2 3.72Å
179T98Very high81.5Confident10 Ų1062.1 Ų62.16%0.06132%0.32CS..EExtended strand (participates in β ladder)trans-120.5126.6177.7-45.30000109.5V21 E25 V160 H162 G190 D191V21-T179 HydrophobicContact CG1-CG2 4.25Å; E25-T179 WeakPolarHBondContact CG-OG1 3.2Å; E25-T179 PolarHBondContact OE1-OG1 3.49Å; V160-T179 HydrophobicContact CG1-CG2 3.59Å; H162-T179 HydrophobicContact CB-CG2 4.45Å; H162-T179 PolarHBondContact ND1-OG1 3.41Å; T179-G190 CarbonylContact O-C 3.43Å; T179-G190 WeakPolarHBondContact O-CA 3.34Å; T179-D191 PolarHBondContact O-N 3Å
180V98.5Very high83.9Confident1 Ų157.3 Ų57.31%0.00631%0.305CS..EExtended strand (participates in β ladder)trans-116.3132.3171.6-170.80000107.5I161 V188 V192 L238 L241 L266I161-V180 PolarHBondContact N-O 3.19Å; I161-V180 PolarHBondContact O-N 3.42Å; V180-V188 HydrophobicContact CG1-CG1 3.67Å; V180-V192 HydrophobicContact CB-CB 4.48Å; V180-V192 HydrophobicContact CG1-CB 3.82Å; V180-V192 HydrophobicContact CG1-CG1 3.52Å; V180-V192 HydrophobicContact CG1-CG2 4.45Å; V180-V192 HydrophobicContact CG2-CB 3.8Å; V180-V192 HydrophobicContact CG2-CG1 4.38Å; V180-L238 HydrophobicContact CB-CD2 4.05Å; V180-L238 HydrophobicContact CG1-CD2 4.47Å; V180-L238 HydrophobicContact CG2-CD2 3.77Å; V180-L241 HydrophobicContact CG1-CD1 4.43Å; V180-L266 HydrophobicContact CG1-CD2 3.79Å
181W98.7Very high86.1Confident13 Ų1358.1 Ų58.15%0.04931%0.312CS..EExtended strand (participates in β ladder)trans-146.8159-177.156.1-92.8000111.6L17 V21 D98 V99 L102 G159 V160 K189L17-W181 HydrophobicContact CD2-CE3 4.1Å; L17-W181 HydrophobicContact CD2-CZ3 4.38Å; V21-W181 HydrophobicContact CG2-CB 3.93Å; V21-W181 HydrophobicContact CG2-CD2 4.14Å; V21-W181 HydrophobicContact CG2-CG 3.66Å; D98-W181 HydrophobicContact CB-CZ2 4.16Å; V99-W181 HydrophobicContact CB-CH2 4.36Å; V99-W181 HydrophobicContact CG2-CD2 4.09Å; V99-W181 HydrophobicContact CG2-CE3 4.04Å; V99-W181 HydrophobicContact CG2-CH2 3.63Å; V99-W181 HydrophobicContact CG2-CZ2 3.69Å; V99-W181 HydrophobicContact CG2-CZ3 3.83Å; L102-W181 HydrophobicContact CD1-CH2 3.53Å; L102-W181 HydrophobicContact CD1-CZ3 3.39Å; L102-W181 HydrophobicContact CG-CH2 4.45Å; G159-W181 CarbonylContact O-C 3.59Å; G159-W181 WeakPolarHBondContact O-CA 3.34Å; G159-W181 WeakPolarHBondContact O-CB 3Å; V160-W181 HydrophobicContact CB-CB 4.42Å; V160-W181 HydrophobicContact CG1-CB 4.42Å; V160-W181 HydrophobicContact CG2-CB 4.03Å; W181-K189 HydrophobicContact CD2-CB 3.76Å; W181-K189 HydrophobicContact CE3-CB 3.82Å; W181-K189 HydrophobicContact CE3-CG 4.16Å; W181-K189 HydrophobicContact CH2-CB 3.48Å; W181-K189 VanDerWaalsContact CH2-CB 3.48Å; W181-K189 HydrophobicContact CH2-CG 3.5Å; W181-K189 HydrophobicContact CZ2-CB 3.38Å; W181-K189 HydrophobicContact CZ2-CG 3.95Å; W181-K189 HydrophobicContact CZ3-CB 3.68Å; W181-K189 HydrophobicContact CZ3-CG 3.6Å; W181-K189 PolarHBondContact N-O 3.32Å; W181-K189 PolarHBondContact O-N 3.45Å
182A98.5Very high88.3Confident0 Ų049.8 Ų49.80%028%0.278CS..EExtended strand (participates in β ladder)trans-142.7154177.500000111.1A158 G159 V188 L266 E269A158-A182 VanDerWaalsContact CA-O 3.25Å; A158-A182 WeakPolarHBondContact CA-O 3.11Å; A158-A182 WeakPolarHBondContact CB-O 3.33Å; G159-A182 PolarHBondContact N-O 3.45Å; G159-A182 PolarHBondContact O-N 2.94Å; A182-V188 HydrophobicContact CB-CG2 4.2Å; A182-L266 HydrophobicContact CB-CD2 3.7Å; A182-L266 HydrophobicContact CB-CG 4.11Å; A182-E269 HydrophobicContact CB-CB 4.02Å; A182-E269 HydrophobicContact CB-CG 4.06Å
183L98.2Very high90.6Very high0 Ų051.9 Ų51.90%028%0.282CS..EExtended strand (participates in β ladder)trans-133.7132.1171.5178.257000106.9L13 V14 L17 L102 I106 A158 S185 A186 G187L13-L183 HydrophobicContact CD1-CD1 4.45Å; L13-L183 HydrophobicContact CD2-CD1 3.89Å; L13-L183 HydrophobicContact CG-CD1 4.01Å; V14-L183 HydrophobicContact CG2-CD2 4.12Å; L17-L183 HydrophobicContact CD2-CB 3.62Å; L17-L183 HydrophobicContact CD2-CD1 4.14Å; L17-L183 HydrophobicContact CD2-CD2 4.17Å; L17-L183 HydrophobicContact CD2-CG 4.2Å; L102-L183 HydrophobicContact CB-CD2 4.29Å; L102-L183 HydrophobicContact CD1-CD2 4.29Å; I106-L183 HydrophobicContact CG2-CD1 4.45Å; I106-L183 HydrophobicContact CG2-CD2 3.33Å; I106-L183 HydrophobicContact CG2-CG 3.64Å; A158-L183 HydrophobicContact CB-CD1 4.02Å; L183-S185 PolarHBondContact O-N 3.37Å; L183-A186 HydrophobicContact CB-CB 4.13Å; L183-A186 HydrophobicContact CG-CB 4.41Å; L183-A186 PolarHBondContact O-N 3.12Å; L183-G187 PolarHBondContact O-N 3.29Å
184R97Very high92.9Very high29 Ų2952.7 Ų52.711%0.10929%0.286CS..THydrogen-bonded Turntrans-52.1134.2179.7-72.1-70-173.9152-4.3111.1L110 P156 V157 A186 Y268 E269L110-R184 HydrophobicContact CD1-CB 3.7Å; L110-R184 WeakPolarHBondContact CD1-O 3.45Å; P156-R184 VanDerWaalsContact O-CZ 3.24Å; P156-R184 PolarHBondContact O-NE 2.58Å; P156-R184 PolarHBondContact O-NH2 2.8Å; V157-R184 VanDerWaalsContact CA-CG 3.47Å; V157-R184 HydrophobicContact CB-CG 4.11Å; V157-R184 HydrophobicContact CG1-CG 4.33Å; V157-R184 VanDerWaalsContact O-CG 3.31Å; V157-R184 WeakPolarHBondContact O-CG 2.85Å; V157-R184 PolarHBondContact O-N 2.78Å; R184-A186 PolarHBondContact O-N 3.31Å; R184-Y268 VanDerWaalsContact NH1-CE2 3.25Å; R184-E269 WeakPolarHBondContact CA-OE1 3.15Å; R184-E269 VanDerWaalsContact CD-OE1 3.23Å; R184-E269 WeakPolarHBondContact CD-OE1 3.3Å
185S94.4Very high94.5Very high56 Ų5651.4 Ų51.439%0.39228%0.284SS..THydrogen-bonded Turntrans69.48.9-179-43.70000114.6D107 L183 E269D107-S185 WeakPolarHBondContact OD2-CB 3.33Å; D107-S185 PolarHBondContact OD2-OG 3.12Å; L183-S185 PolarHBondContact O-N 3.37Å; S185-E269 PolarHBondContact N-OE1 2.77Å; S185-E269 PolarHBondContact N-OE2 2.83Å; S185-E269 VanDerWaalsContact N-OE2 3.1Å
186A95.8Very high95.9Very high15 Ų1547.6 Ų47.612%0.12428%0.275CS..THydrogen-bonded Turntrans-123.8-1.3175.200000113.5L102 I106 L183 R184 K189 E269L102-A186 HydrophobicContact CD1-CB 3.93Å; L102-A186 HydrophobicContact CD2-CB 4.37Å; I106-A186 HydrophobicContact CG2-CB 4.31Å; L183-A186 HydrophobicContact CB-CB 4.13Å; L183-A186 HydrophobicContact CG-CB 4.41Å; L183-A186 PolarHBondContact O-N 3.12Å; R184-A186 PolarHBondContact O-N 3.31Å; A186-K189 VanDerWaalsContact O-CE 3.23Å; A186-K189 WeakPolarHBondContact O-CE 3.39Å; A186-E269 PolarHBondContact N-OE2 2.81Å
187G96.5Very high96.6Very high20 Ų2041.8 Ų41.821%0.20625%0.248CC..EExtended strand (participates in β ladder)trans76.9-177.5177.200000114L183 E269L183-G187 PolarHBondContact O-N 3.29Å; G187-E269 WeakPolarHBondContact CA-OE2 3.49Å; G187-E269 PolarHBondContact N-OE2 2.91Å
188V98.1Very high96.8Very high20 Ų2042.8 Ų42.812%0.12125%0.251CS..EExtended strand (participates in β ladder)trans-83.3140.4172.2-175.40000110.5V180 A182 V192 L194 L266 E269 A270V180-V188 HydrophobicContact CG1-CG1 3.67Å; A182-V188 HydrophobicContact CB-CG2 4.2Å; V188-V192 HydrophobicContact CG1-CG1 3.71Å; V188-L194 HydrophobicContact CB-CD1 4.2Å; V188-L194 HydrophobicContact CB-CD2 4.39Å; V188-L194 HydrophobicContact CG1-CD2 4.31Å; V188-L194 HydrophobicContact CG2-CD1 4.46Å; V188-L266 HydrophobicContact CG1-CD2 3.77Å; V188-L266 HydrophobicContact CG2-CD2 4.25Å; V188-L266 VanDerWaalsContact CG2-O 3.28Å; V188-L266 WeakPolarHBondContact CG2-O 3.28Å; V188-E269 HydrophobicContact CG2-CB 3.94Å; V188-A270 HydrophobicContact CG2-CB 3.87Å
189K97.8Very high96.7Very high91 Ų9148.5 Ų48.540%0.39629%0.29SS..EExtended strand (participates in β ladder)trans-137176.1-178.8-57.3-65.3178.6-168.70110.3W181 A186W181-K189 HydrophobicContact CD2-CB 3.76Å; W181-K189 HydrophobicContact CE3-CB 3.82Å; W181-K189 HydrophobicContact CE3-CG 4.16Å; W181-K189 HydrophobicContact CH2-CB 3.48Å; W181-K189 VanDerWaalsContact CH2-CB 3.48Å; W181-K189 HydrophobicContact CH2-CG 3.5Å; W181-K189 HydrophobicContact CZ2-CB 3.38Å; W181-K189 HydrophobicContact CZ2-CG 3.95Å; W181-K189 HydrophobicContact CZ3-CB 3.68Å; W181-K189 HydrophobicContact CZ3-CG 3.6Å; W181-K189 PolarHBondContact N-O 3.32Å; W181-K189 PolarHBondContact O-N 3.45Å; A186-K189 VanDerWaalsContact O-CE 3.23Å; A186-K189 WeakPolarHBondContact O-CE 3.39Å
190G96.5Very high96.6Very high46 Ų4654.4 Ų54.447%0.47432%0.321SS..EExtended strand (participates in β ladder)trans88.9-161.9-177.400000112.5T179 V192T179-G190 CarbonylContact O-C 3.43Å; T179-G190 WeakPolarHBondContact O-CA 3.34Å; G190-V192 VanDerWaalsContact C-N 3.33Å; G190-V192 PolarHBondContact O-N 3.21Å
191D95.6Very high96.4Very high102 Ų10258 Ų5855%0.54534%0.336SS..SBendtrans-87.373.5-171.9179.424.3000111.3R178 T179R178-D191 HydrophobicContact CB-CB 3.94Å; R178-D191 WeakPolarHBondContact CB-OD2 3.49Å; T179-D191 PolarHBondContact O-N 3Å
192V95.5Very high96.4Very high29 Ų2958.5 Ų58.518%0.17634%0.34CS..  trans-143.9141.2173.568.90000110.8V180 V188 G190 L194 L241 E242V180-V192 HydrophobicContact CB-CB 4.48Å; V180-V192 HydrophobicContact CG1-CB 3.82Å; V180-V192 HydrophobicContact CG1-CG1 3.52Å; V180-V192 HydrophobicContact CG1-CG2 4.45Å; V180-V192 HydrophobicContact CG2-CB 3.8Å; V180-V192 HydrophobicContact CG2-CG1 4.38Å; V188-V192 HydrophobicContact CG1-CG1 3.71Å; G190-V192 VanDerWaalsContact C-N 3.33Å; G190-V192 PolarHBondContact O-N 3.21Å; V192-L194 HydrophobicContact CG1-CD2 4.2Å; V192-L194 HydrophobicContact CG2-CD2 4.29Å; V192-L241 HydrophobicContact CG2-CB 4.29Å; V192-E242 HydrophobicContact CG2-CG 4.19Å
193M95.7Very high96.4Very high155 Ų15558.8 Ų58.876%0.76434%0.342SS*.  trans-105.6101.9168-171.7173-148.600108.8T195M193-T195 PolarHBondContact O-N 3.19Å; M193-T195 PolarHBondContact O-OG1 2.97Å
194L97.3Very high96.4Very high80 Ų8058.8 Ų58.842%0.41934%0.342SS..  trans-62.5125.2177.7-61.6-175.8000110.1V188 V192 L241 A270V188-L194 HydrophobicContact CB-CD1 4.2Å; V188-L194 HydrophobicContact CB-CD2 4.39Å; V188-L194 HydrophobicContact CG1-CD2 4.31Å; V188-L194 HydrophobicContact CG2-CD1 4.46Å; V192-L194 HydrophobicContact CG1-CD2 4.2Å; V192-L194 HydrophobicContact CG2-CD2 4.29Å; L194-L241 WeakPolarHBondContact CA-O 3.46Å; L194-L241 HydrophobicContact CD2-CB 3.98Å; L194-L241 HydrophobicContact CD2-CD2 3.94Å; L194-L241 HydrophobicContact CD2-CG 4.49Å; L194-A270 HydrophobicContact CD1-CB 3.98Å; L194-A270 HydrophobicContact CD2-CB 4.05Å
195T96.3Very high96.4Very high66 Ų6657.4 Ų57.441%0.40534%0.337SS..  trans-139.3136.9-175.7-54.80000109.5M193 L241 G243M193-T195 PolarHBondContact O-N 3.19Å; M193-T195 PolarHBondContact O-OG1 2.97Å; T195-L241 PolarHBondContact N-O 2.89Å; T195-L241 VanDerWaalsContact N-O 3.08Å; T195-G243 WeakPolarHBondContact O-CA 3.25Å; T195-G243 PolarHBondContact O-N 3.17Å; T195-G243 VanDerWaalsContact O-N 3.1Å
196S95.4Very high96.6Very high81 Ų8154.8 Ų54.857%0.56632%0.318SS*.PPolyproline II helixtrans-73.6143.2172.1-59.20000110.2
197P97.1Very high96.6Very high10 Ų1054.5 Ų54.57%0.06532%0.315CS..PPolyproline II helixtrans-66.8160.2176.232.8-38.2000111.7G243 H246 A300 P301P197-G243 WeakPolarHBondContact CA-O 3.45Å; P197-H246 HydrophobicContact CG-CB 4.41Å; P197-H246 VanDerWaalsContact CG-CD2 3.42Å; P197-H246 WeakPolarHBondContact CG-CD2 3.44Å; P197-A300 HydrophobicContact CG-CB 4.14Å; P197-P301 VanDerWaalsContact CD-O 3.27Å; P197-P301 WeakPolarHBondContact CD-O 3.25Å
198P95.8Very high96.4Very high42 Ų4256.5 Ų56.527%0.27332%0.316SS..PPolyproline II helixtrans-61.2145.2-176.822.2-31.5000112.2D200 K201 I203 H246P198-D200 WeakPolarHBondContact CB-OD1 3.43Å; P198-K201 HydrophobicContact CB-CG 4.26Å; P198-K201 HydrophobicContact CG-CD 4.35Å; P198-K201 HydrophobicContact CG-CG 3.84Å; P198-I203 HydrophobicContact CG-CD1 3.87Å; P198-H246 PolarHBondContact O-CE1 2.72Å; P198-H246 VanDerWaalsContact O-CE1 3.29Å; P198-H246 PolarHBondContact O-NE2 2.94Å
199T94.6Very high95.8Very high152 Ų15255.8 Ų55.893%0.93331%0.312SS*.SBendtrans-86.3-13.1-173.954.50000114.4
200D94.9Very high95.4Very high134 Ų13455.5 Ų55.572%0.71731%0.312SS*.SBendtrans-99-5.1-171.664.9-37.4000114.3P198P198-D200 WeakPolarHBondContact CB-OD1 3.43Å
201K95.6Very high95Very high76 Ų7655.9 Ų55.933%0.3332%0.316SS..  trans-145.3162.4178.257.8173.7171.5158.70112P198 I203 D225 E226 H246P198-K201 HydrophobicContact CB-CG 4.26Å; P198-K201 HydrophobicContact CG-CD 4.35Å; P198-K201 HydrophobicContact CG-CG 3.84Å; K201-I203 HydrophobicContact CD-CD1 4.1Å; K201-I203 HydrophobicContact CD-CG1 3.93Å; K201-I203 HydrophobicContact CG-CD1 4.45Å; K201-I203 HydrophobicContact CG-CG1 4.13Å; K201-D225 WeakPolarHBondContact CA-OD2 3.45Å; K201-D225 HydrophobicContact CB-CB 3.91Å; K201-E226 IonicContact NZ-OE2 2.96Å; K201-E226 PolarHBondContact NZ-OE2 3.49Å; K201-H246 PolarHBondContact O-CE1 3.04Å; K201-H246 PolarHBondContact O-NE2 3.01Å
202L97.3Very high94.8Very high25 Ų2553.3 Ų53.313%0.13130%0.302CS..  trans-109114.5170174.861.1000109.8V204 P224 D225 E226 H246 L307L202-V204 HydrophobicContact CD1-CG2 4.48Å; L202-V204 HydrophobicContact CG-CG2 4.43Å; L202-P224 HydrophobicContact CD2-CB 4.23Å; L202-P224 HydrophobicContact CG-CB 4.03Å; L202-P224 CarbonylContact O-C 3.55Å; L202-P224 WeakPolarHBondContact O-CB 3.37Å; L202-D225 PolarHBondContact N-OD2 2.96Å; L202-D225 PolarHBondContact O-N 3.1Å; L202-E226 PolarHBondContact O-N 3.26Å; L202-H246 HydrophobicContact CD1-CB 3.85Å; L202-L307 HydrophobicContact CD1-CD2 3.8Å; L202-L307 HydrophobicContact CD2-CD1 4.39Å
203I98.4Very high94.7Very high6 Ų660 Ų603%0.03133%0.332CS..EExtended strand (participates in β ladder)trans-108.6126.7176.7-50.4171.2000108.9P198 K201 E226 K244 A245 H246 A247P198-I203 HydrophobicContact CG-CD1 3.87Å; K201-I203 HydrophobicContact CD-CD1 4.1Å; K201-I203 HydrophobicContact CD-CG1 3.93Å; K201-I203 HydrophobicContact CG-CD1 4.45Å; K201-I203 HydrophobicContact CG-CG1 4.13Å; I203-E226 WeakPolarHBondContact CA-O 3.49Å; I203-E226 HydrophobicContact CB-CB 4.38Å; I203-E226 HydrophobicContact CG1-CB 4.12Å; I203-E226 HydrophobicContact CG2-CB 4.08Å; I203-E226 HydrophobicContact CG2-CG 4.15Å; I203-K244 WeakPolarHBondContact CD1-O 3.16Å; I203-K244 WeakPolarHBondContact CG2-O 3.18Å; I203-A245 HydrophobicContact CB-CB 4.33Å; I203-A245 HydrophobicContact CG2-CB 3.89Å; I203-H246 PolarHBondContact N-ND1 3.42Å; I203-H246 PolarHBondContact O-N 3.23Å; I203-A247 PolarHBondContact O-N 3.35Å
204V98.3Very high94.5Very high0 Ų054.7 Ų54.70%031%0.306CS..EExtended strand (participates in β ladder)trans-114.7126.9175.3174.60000109.9L202 L219 P224 E226 I227 C228 A247 I249L202-V204 HydrophobicContact CD1-CG2 4.48Å; L202-V204 HydrophobicContact CG-CG2 4.43Å; V204-L219 HydrophobicContact CB-CD2 4.21Å; V204-L219 HydrophobicContact CG1-CD2 3.56Å; V204-P224 HydrophobicContact CB-CB 4.18Å; V204-P224 HydrophobicContact CB-CG 4.36Å; V204-P224 HydrophobicContact CG2-CB 3.75Å; V204-P224 HydrophobicContact CG2-CG 4.2Å; V204-E226 PolarHBondContact N-O 3.48Å; V204-I227 CarbonylContact O-C 3.55Å; V204-I227 VanDerWaalsContact O-CA 3.32Å; V204-I227 WeakPolarHBondContact O-CA 3.4Å; V204-C228 PolarHBondContact O-N 3.39Å; V204-A247 CarbonylContact C-O 3.56Å; V204-A247 WeakPolarHBondContact CA-O 3.24Å; V204-A247 HydrophobicContact CG2-CB 4.48Å; V204-I249 HydrophobicContact CG1-CB 4.09Å; V204-I249 HydrophobicContact CG1-CD1 3.96Å; V204-I249 HydrophobicContact CG1-CG1 3.95Å; V204-I249 HydrophobicContact CG2-CD1 4.31Å
205V98.4Very high94.4Very high0 Ų051 Ų510%029%0.286CS..EExtended strand (participates in β ladder)trans-95.8140170.270.10000110.2C228 V230 K236 M239 L240 A245 A247 Y248 I249V205-C228 CarbonylContact C-O 3.49Å; V205-C228 WeakPolarHBondContact CA-O 3.45Å; V205-C228 HydrophobicContact CB-CB 4.31Å; V205-C228 HydrophobicContact CG2-CB 4.07Å; V205-C228 WeakPolarHBondContact CG2-O 3.48Å; V205-V230 HydrophobicContact CG2-CG2 3.49Å; V205-V230 VanDerWaalsContact CG2-CG2 3.49Å; V205-K236 HydrophobicContact CG1-CB 4.11Å; V205-K236 HydrophobicContact CG1-CG 4.33Å; V205-K236 HydrophobicContact CG2-CB 4.3Å; V205-K236 HydrophobicContact CG2-CD 4.03Å; V205-K236 HydrophobicContact CG2-CG 3.68Å; V205-M239 HydrophobicContact CB-CE 4.44Å; V205-M239 HydrophobicContact CG2-CE 4Å; V205-M239 HydrophobicContact CG2-SD 3.69Å; V205-L240 HydrophobicContact CG1-CD2 4.22Å; V205-A245 HydrophobicContact CB-CB 3.94Å; V205-A245 HydrophobicContact CG1-CB 4.02Å; V205-A247 PolarHBondContact N-O 2.83Å; V205-Y248 HydrophobicContact CG1-CD2 4.43Å; V205-Y248 HydrophobicContact CG1-CG 4.32Å; V205-Y248 WeakPolarHBondContact O-CA 3.38Å; V205-I249 PolarHBondContact O-N 3.21Å
206T97.9Very high94.3Very high0 Ų051.9 Ų51.90%029%0.289CS..EExtended strand (participates in β ladder)trans-151.5178.7178.9-166.40000111.9L215 L219 I227 C228 K229 V230 I249T206-L215 HydrophobicContact CG2-CD2 4.29Å; T206-L215 WeakPolarHBondContact OG1-CD1 3.23Å; T206-L215 VanDerWaalsContact OG1-CD2 3.26Å; T206-L215 WeakPolarHBondContact OG1-CD2 3.24Å; T206-L219 HydrophobicContact CG2-CD1 4.19Å; T206-I227 HydrophobicContact CG2-CG2 4.1Å; T206-C228 PolarHBondContact N-O 2.91Å; T206-K229 HydrophobicContact CG2-CG 3.89Å; T206-V230 PolarHBondContact O-N 3.45Å; T206-I249 VanDerWaalsContact CB-O 3.22Å; T206-I249 WeakPolarHBondContact CB-O 3.38Å; T206-I249 PolarHBondContact OG1-O 2.9Å
207T95.9Very high94.2Very high10 Ų1051.9 Ų51.96%0.06128%0.279CS..EExtended strand (participates in β ladder)trans-63.3137.7179.6-173.20000112.5S209 H210 L215 F250T207-S209 PolarHBondContact OG1-N 2.96Å; T207-H210 VanDerWaalsContact CG2-C 3.43Å; T207-H210 HydrophobicContact CG2-CB 4.26Å; T207-H210 WeakPolarHBondContact CG2-O 3.44Å; T207-H210 WeakPolarHBondContact OG1-CB 3.41Å; T207-H210 PolarHBondContact OG1-N 2.7Å; T207-L215 HydrophobicContact CG2-CD2 3.85Å; T207-F250 HydrophobicContact CG2-CD2 3.79Å; T207-F250 HydrophobicContact CG2-CE2 3.9Å
208R91.7Very high94.1Very high62 Ų6251.4 Ų51.423%0.23428%0.276CS..SBendtrans-79-40167.2-179.9-175.5170.2-157.33112.4L137 Y140 V230L137-R208 VanDerWaalsContact CD1-NH2 3.29Å; Y140-R208 VanDerWaalsContact CE1-CZ 3.47Å; Y140-R208 PolarHBondContact OH-NH2 2.85Å; R208-V230 PolarHBondContact N-O 2.94Å
209S85.9Confident94.1Very high5 Ų549.8 Ų49.84%0.03526%0.264CS..SBendtrans-112-11.2-158.4-600000113.5R47 Y129 E130 T207R47-S209 VanDerWaalsContact CD-O 3.28Å; R47-S209 WeakPolarHBondContact CD-O 3.39Å; R47-S209 PolarHBondContact NH1-O 3.1Å; Y129-S209 WeakPolarHBondContact CD1-OG 3.38Å; Y129-S209 WeakPolarHBondContact CE1-OG 3.34Å; E130-S209 PolarHBondContact OE1-OG 2.77Å; T207-S209 PolarHBondContact OG1-N 2.96Å
210H88.4Confident94.2Very high84 Ų8450.8 Ų50.839%0.38926%0.256SS..SBendtrans-128.736.5-173.3-55.3103.8000113.2T207 F250T207-H210 VanDerWaalsContact CG2-C 3.43Å; T207-H210 HydrophobicContact CG2-CB 4.26Å; T207-H210 WeakPolarHBondContact CG2-O 3.44Å; T207-H210 WeakPolarHBondContact OG1-CB 3.41Å; T207-H210 PolarHBondContact OG1-N 2.7Å; H210-F250 HydrophobicContact CB-CE2 4.18Å; H210-F250 WeakPolarHBondContact O-CE2 3.28Å
211G88.8Confident94.1Very high54 Ų5447 Ų4756%0.55724%0.243SC*.  trans-64.7157.5178.800000113.2
212N91.6Very high94.1Very high48 Ų4843.6 Ų43.626%0.25723%0.229SC..  trans-148.4166.8174.461.962.6000110.8L214 L215 D216 T251N212-L214 VanDerWaalsContact C-N 3.27Å; N212-L214 PolarHBondContact O-N 3.32Å; N212-L214 WeakPolarHBondContact OD1-CB 3.23Å; N212-L214 PolarHBondContact OD1-N 2.96Å; N212-L214 VanDerWaalsContact OD1-N 3.14Å; N212-L215 WeakPolarHBondContact O-CB 3.14Å; N212-L215 PolarHBondContact O-N 3.41Å; N212-L215 VanDerWaalsContact O-N 3.15Å; N212-L215 PolarHBondContact OD1-N 3.07Å; N212-D216 PolarHBondContact O-N 2.75Å; N212-D216 VanDerWaalsContact O-N 3.15Å; N212-T251 PolarHBondContact ND2-O 2.88Å; N212-T251 PolarHBondContact OD1-OG1 2.75Å
213E92.6Very high94.1Very high171 Ų17150.4 Ų50.480%0.79926%0.257SS*.Hα-helixtrans-60.5-35.9-176.3-64.3-177.3175.200113L215 D216 K217E213-L215 VanDerWaalsContact C-N 3.34Å; E213-L215 PolarHBondContact O-N 3.45Å; E213-D216 PolarHBondContact O-N 2.82Å; E213-K217 WeakPolarHBondContact O-CB 3.43Å; E213-K217 PolarHBondContact O-N 3.01Å
214L92.1Very high94Very high43 Ų4351.1 Ų51.123%0.22526%0.262CS..Hα-helixtrans-67.4-36.3179.1-179.459.1000111.7N212 K217 T218 T251N212-L214 VanDerWaalsContact C-N 3.27Å; N212-L214 PolarHBondContact O-N 3.32Å; N212-L214 WeakPolarHBondContact OD1-CB 3.23Å; N212-L214 PolarHBondContact OD1-N 2.96Å; N212-L214 VanDerWaalsContact OD1-N 3.14Å; L214-K217 HydrophobicContact CD1-CD 4.5Å; L214-T218 VanDerWaalsContact O-CB 3.3Å; L214-T218 WeakPolarHBondContact O-CB 3.26Å; L214-T218 PolarHBondContact O-N 3.04Å; L214-T218 PolarHBondContact O-OG1 2.92Å; L214-T251 HydrophobicContact CG-CG2 4.2Å
215L95Very high94Very high1 Ų156.7 Ų56.71%0.00529%0.292CS..Hα-helixtrans-64.3-46.7174177.261.4000109.7T206 T207 N212 E213 K217 T218 L219 I249 T251T206-L215 HydrophobicContact CG2-CD2 4.29Å; T206-L215 WeakPolarHBondContact OG1-CD1 3.23Å; T206-L215 VanDerWaalsContact OG1-CD2 3.26Å; T206-L215 WeakPolarHBondContact OG1-CD2 3.24Å; T207-L215 HydrophobicContact CG2-CD2 3.85Å; N212-L215 WeakPolarHBondContact O-CB 3.14Å; N212-L215 PolarHBondContact O-N 3.41Å; N212-L215 VanDerWaalsContact O-N 3.15Å; N212-L215 PolarHBondContact OD1-N 3.07Å; E213-L215 VanDerWaalsContact C-N 3.34Å; E213-L215 PolarHBondContact O-N 3.45Å; L215-K217 PolarHBondContact O-N 2.64Å; L215-T218 WeakPolarHBondContact O-CB 3.32Å; L215-T218 PolarHBondContact O-N 3.03Å; L215-L219 HydrophobicContact CD1-CD1 3.99Å; L215-L219 HydrophobicContact CD1-CG 4.08Å; L215-L219 HydrophobicContact CG-CD1 3.9Å; L215-L219 HydrophobicContact CG-CG 4.39Å; L215-L219 VanDerWaalsContact O-CG 3.3Å; L215-L219 WeakPolarHBondContact O-CG 3.32Å; L215-L219 PolarHBondContact O-N 3.18Å; L215-I249 HydrophobicContact CD1-CG2 4.12Å; L215-T251 WeakPolarHBondContact CA-OG1 3.28Å; L215-T251 VanDerWaalsContact CB-OG1 3.25Å; L215-T251 WeakPolarHBondContact CB-OG1 3.46Å; L215-T251 HydrophobicContact CD1-CG2 4.42Å; L215-T251 PolarHBondContact N-OG1 3.44Å
216D94.4Very high94Very high85 Ų8560.5 Ų60.546%0.45531%0.31SS..Hα-helixtrans-62.2-44.2178.4-71.9-24.9000111.3N212 E213 T218 L219 K220N212-D216 PolarHBondContact O-N 2.75Å; N212-D216 VanDerWaalsContact O-N 3.15Å; E213-D216 PolarHBondContact O-N 2.82Å; D216-T218 VanDerWaalsContact C-N 3.32Å; D216-T218 PolarHBondContact O-N 3.35Å; D216-L219 PolarHBondContact O-N 2.78Å; D216-K220 WeakPolarHBondContact O-CB 3.32Å; D216-K220 PolarHBondContact O-N 2.87Å
217K93.7Very high94Very high82 Ų8264.2 Ų64.236%0.35733%0.329SS..Hα-helixtrans-56.3-46172.8-174.9-177.4-177.5-167.40110.9E213 L214 L215 K220 A221 D315 S317E213-K217 WeakPolarHBondContact O-CB 3.43Å; E213-K217 PolarHBondContact O-N 3.01Å; L214-K217 HydrophobicContact CD1-CD 4.5Å; L215-K217 PolarHBondContact O-N 2.64Å; K217-K220 PolarHBondContact O-N 2.98Å; K217-A221 WeakPolarHBondContact O-CB 3.49Å; K217-A221 PolarHBondContact O-N 2.91Å; K217-D315 WeakPolarHBondContact CE-O 3.38Å; K217-D315 PolarHBondContact NZ-O 2.84Å; K217-D315 IonicContact NZ-OD2 3.11Å; K217-D315 PolarHBondContact NZ-OD2 3.49Å; K217-S317 PolarHBondContact NZ-O 3.29Å
218T94.7Very high94Very high0 Ų064.7 Ų64.70%033%0.332CS..Hα-helixtrans-61.9-51.3179.8-63.10000111.9L214 L215 D216 K220 A221 L222 I249 T251 V311 I314L214-T218 VanDerWaalsContact O-CB 3.3Å; L214-T218 WeakPolarHBondContact O-CB 3.26Å; L214-T218 PolarHBondContact O-N 3.04Å; L214-T218 PolarHBondContact O-OG1 2.92Å; L215-T218 WeakPolarHBondContact O-CB 3.32Å; L215-T218 PolarHBondContact O-N 3.03Å; D216-T218 VanDerWaalsContact C-N 3.32Å; D216-T218 PolarHBondContact O-N 3.35Å; T218-K220 VanDerWaalsContact C-N 3.32Å; T218-K220 PolarHBondContact O-N 3.01Å; T218-A221 PolarHBondContact O-N 2.76Å; T218-L222 HydrophobicContact CG2-CD1 4.04Å; T218-L222 WeakPolarHBondContact O-CG 3.5Å; T218-L222 PolarHBondContact O-N 3.15Å; T218-I249 HydrophobicContact CG2-CG2 4Å; T218-T251 HydrophobicContact CG2-CG2 4.44Å; T218-V311 HydrophobicContact CG2-CG1 4.43Å; T218-I314 HydrophobicContact CG2-CD1 3.93Å
219L95.9Very high94.2Very high7 Ų767.1 Ų67.14%0.03735%0.345CS..Hα-helixtrans-62-40.6179.1-66.4170.9000111.5V204 T206 L215 D216 A221 L222 K223 P224 I227V204-L219 HydrophobicContact CB-CD2 4.21Å; V204-L219 HydrophobicContact CG1-CD2 3.56Å; T206-L219 HydrophobicContact CG2-CD1 4.19Å; L215-L219 HydrophobicContact CD1-CD1 3.99Å; L215-L219 HydrophobicContact CD1-CG 4.08Å; L215-L219 HydrophobicContact CG-CD1 3.9Å; L215-L219 HydrophobicContact CG-CG 4.39Å; L215-L219 VanDerWaalsContact O-CG 3.3Å; L215-L219 WeakPolarHBondContact O-CG 3.32Å; L215-L219 PolarHBondContact O-N 3.18Å; D216-L219 PolarHBondContact O-N 2.78Å; L219-A221 PolarHBondContact O-N 3.15Å; L219-L222 PolarHBondContact O-N 3.3Å; L219-K223 PolarHBondContact O-N 2.84Å; L219-P224 WeakPolarHBondContact O-CD 3.36Å; L219-I227 HydrophobicContact CB-CD1 4.17Å; L219-I227 HydrophobicContact CD1-CD1 4.33Å; L219-I227 HydrophobicContact CD1-CG2 4.21Å
220K95.5Very high94.7Very high174 Ų17467.7 Ų67.776%0.75735%0.348SS*.Hα-helixtrans-64.4-38.2177.8-140175.6-170176.80112.4D216 K217 T218 K223D216-K220 WeakPolarHBondContact O-CB 3.32Å; D216-K220 PolarHBondContact O-N 2.87Å; K217-K220 PolarHBondContact O-N 2.98Å; T218-K220 VanDerWaalsContact C-N 3.32Å; T218-K220 PolarHBondContact O-N 3.01Å; K220-K223 VanDerWaalsContact O-CG 3.3Å; K220-K223 WeakPolarHBondContact O-CG 3.04Å
221A94.8Very high94.9Very high55 Ų5563.8 Ų63.846%0.45533%0.33SS..Hα-helixtrans-72.7-37.4177.400000112.5K217 T218 L219 I314K217-A221 WeakPolarHBondContact O-CB 3.49Å; K217-A221 PolarHBondContact O-N 2.91Å; T218-A221 PolarHBondContact O-N 2.76Å; L219-A221 PolarHBondContact O-N 3.15Å; A221-I314 HydrophobicContact CB-CD1 3.74Å; A221-I314 HydrophobicContact CB-CG1 3.84Å; A221-I314 HydrophobicContact CB-CG2 4.32Å
222L95.1Very high95.3Very high4 Ų461.4 Ų61.42%0.02131%0.306CS..Hα-helixtrans-70.7-30177.8-71.6174.3000113.6T218 L219 I249 L307 R310 V311 I314T218-L222 HydrophobicContact CG2-CD1 4.04Å; T218-L222 WeakPolarHBondContact O-CG 3.5Å; T218-L222 PolarHBondContact O-N 3.15Å; L219-L222 PolarHBondContact O-N 3.3Å; L222-I249 HydrophobicContact CD1-CD1 3.23Å; L222-L307 HydrophobicContact CD2-CD1 3.93Å; L222-R310 HydrophobicContact CD2-CB 4.04Å; L222-R310 PolarHBondContact O-NH2 3.49Å; L222-V311 HydrophobicContact CD1-CG2 3.8Å; L222-V311 HydrophobicContact CD2-CG2 3.97Å; L222-V311 HydrophobicContact CG-CG2 4.42Å; L222-I314 HydrophobicContact CD2-CD1 3.91Å; L222-I314 HydrophobicContact CG-CD1 3.79Å
223K95.9Very high95.6Very high168 Ų16859.2 Ų59.273%0.7329%0.294SS*.  trans50.856.6-176-56.4179.7-177.8179.70112.4L219 K220L219-K223 PolarHBondContact O-N 2.84Å; K220-K223 VanDerWaalsContact O-CG 3.3Å; K220-K223 WeakPolarHBondContact O-CG 3.04Å
224P97.1Very high95.9Very high20 Ų2051.1 Ų51.113%0.1326%0.256CS..  trans-63.3147.717231.7-35.7000110.2L202 V204 L219 E226 I227L202-P224 HydrophobicContact CD2-CB 4.23Å; L202-P224 HydrophobicContact CG-CB 4.03Å; L202-P224 CarbonylContact O-C 3.55Å; L202-P224 WeakPolarHBondContact O-CB 3.37Å; V204-P224 HydrophobicContact CB-CB 4.18Å; V204-P224 HydrophobicContact CB-CG 4.36Å; V204-P224 HydrophobicContact CG2-CB 3.75Å; V204-P224 HydrophobicContact CG2-CG 4.2Å; L219-P224 WeakPolarHBondContact O-CD 3.36Å; P224-E226 VanDerWaalsContact C-N 3.25Å; P224-I227 HydrophobicContact CB-CG1 4.42Å; P224-I227 HydrophobicContact CG-CD1 3.89Å; P224-I227 HydrophobicContact CG-CG1 3.49Å; P224-I227 VanDerWaalsContact CG-CG1 3.49Å
225D98.2Very high96.1Very high118 Ų11849.6 Ų49.663%0.63125%0.248SC*.SBendtrans-68.9-29.1174.3-59.6-75.8000111.2K201 L202K201-D225 WeakPolarHBondContact CA-OD2 3.45Å; K201-D225 HydrophobicContact CB-CB 3.91Å; L202-D225 PolarHBondContact N-OD2 2.96Å; L202-D225 PolarHBondContact O-N 3.1Å
226E98.1Very high96.3Very high80 Ų8049.9 Ų49.937%0.37425%0.25SC..EExtended strand (participates in β ladder)trans-141.3137.9-179.6-174177.4171.400111.5K201 L202 I203 V204 P224K201-E226 IonicContact NZ-OE2 2.96Å; K201-E226 PolarHBondContact NZ-OE2 3.49Å; L202-E226 PolarHBondContact O-N 3.26Å; I203-E226 WeakPolarHBondContact CA-O 3.49Å; I203-E226 HydrophobicContact CB-CB 4.38Å; I203-E226 HydrophobicContact CG1-CB 4.12Å; I203-E226 HydrophobicContact CG2-CB 4.08Å; I203-E226 HydrophobicContact CG2-CG 4.15Å; V204-E226 PolarHBondContact N-O 3.48Å; P224-E226 VanDerWaalsContact C-N 3.25Å
227I98Very high96.5Very high78 Ų7845.9 Ų45.940%0.423%0.228SC..EExtended strand (participates in β ladder)trans-121.7111175.1-57.1171.6000109.1V204 T206 L219 P224 K229V204-I227 CarbonylContact O-C 3.55Å; V204-I227 VanDerWaalsContact O-CA 3.32Å; V204-I227 WeakPolarHBondContact O-CA 3.4Å; T206-I227 HydrophobicContact CG2-CG2 4.1Å; L219-I227 HydrophobicContact CB-CD1 4.17Å; L219-I227 HydrophobicContact CD1-CD1 4.33Å; L219-I227 HydrophobicContact CD1-CG2 4.21Å; P224-I227 HydrophobicContact CB-CG1 4.42Å; P224-I227 HydrophobicContact CG-CD1 3.89Å; P224-I227 HydrophobicContact CG-CG1 3.49Å; P224-I227 VanDerWaalsContact CG-CG1 3.49Å; I227-K229 HydrophobicContact CG2-CG 4.18Å
228C96.9Very high96.7Very high20 Ų2042 Ų4214%0.13521%0.212CC..EExtended strand (participates in β ladder)trans-93.4110.3176.2-50.80000109.7V204 V205 T206 M239V204-C228 PolarHBondContact O-N 3.39Å; V205-C228 CarbonylContact C-O 3.49Å; V205-C228 WeakPolarHBondContact CA-O 3.45Å; V205-C228 HydrophobicContact CB-CB 4.31Å; V205-C228 HydrophobicContact CG2-CB 4.07Å; V205-C228 WeakPolarHBondContact CG2-O 3.48Å; T206-C228 PolarHBondContact N-O 2.91Å; C228-M239 HydrophobicContact CB-CE 4.04Å
229K96.1Very high96.8Very high113 Ų11342.9 Ų42.949%0.49122%0.216SC..EExtended strand (participates in β ladder)trans-95.8104.3176.5-69.3-167.9175.2-171.70110.6T206 I227T206-K229 HydrophobicContact CG2-CG 3.89Å; I227-K229 HydrophobicContact CG2-CG 4.18Å
230V95Very high97Very high16 Ų1642.5 Ų42.510%0.09721%0.214CC..EExtended strand (participates in β ladder)trans-132.4164.4-175.4-58.60000112.8V205 T206 R208 K236 M239V205-V230 HydrophobicContact CG2-CG2 3.49Å; V205-V230 VanDerWaalsContact CG2-CG2 3.49Å; T206-V230 PolarHBondContact O-N 3.45Å; R208-V230 PolarHBondContact N-O 2.94Å; V230-K236 HydrophobicContact CG2-CD 4.05Å; V230-K236 HydrophobicContact CG2-CG 3.48Å; V230-K236 VanDerWaalsContact CG2-CG 3.48Å; V230-M239 HydrophobicContact CG1-SD 4.36Å; V230-M239 HydrophobicContact CG2-SD 3.88Å
231G94.3Very high97.1Very high2 Ų234.2 Ų34.22%0.02118%0.178CC..SBendtrans-82.7169.1174.200000112.4E130 H143E130-G231 WeakPolarHBondContact OE2-CA 3.36Å; H143-G231 PolarHBondContact ND1-N 3.3Å; H143-G231 VanDerWaalsContact ND1-N 3.17Å
232G96.1Very high97.3Very high4 Ų433 Ų334%0.04116%0.162CC..  trans71.9115.3169.900000115.8D126 G234 H235 K236D126-G232 VanDerWaalsContact CG-CA 3.46Å; D126-G232 VanDerWaalsContact OD1-CA 3.23Å; D126-G232 WeakPolarHBondContact OD1-CA 3.42Å; D126-G232 WeakPolarHBondContact OD2-CA 3.37Å; G232-G234 VanDerWaalsContact C-N 3.31Å; G232-H235 PolarHBondContact O-N 2.88Å; G232-K236 WeakPolarHBondContact O-CE 3.49Å; G232-K236 WeakPolarHBondContact O-CG 3.13Å; G232-K236 PolarHBondContact O-N 3.33Å; G232-K236 PolarHBondContact O-NZ 3.14Å
233A98.1Very high97.4Very high3 Ų333.2 Ų33.23%0.02517%0.166CC..Hα-helixtrans-57.9-43.4172.400000111.9D126 M147 K236 A237 D259D126-A233 PolarHBondContact OD1-N 3.38Å; D126-A233 PolarHBondContact OD2-N 2.84Å; M147-A233 HydrophobicContact SD-CB 4.46Å; A233-K236 PolarHBondContact O-N 3.05Å; A233-A237 PolarHBondContact O-N 2.96Å; A233-D259 HydrophobicContact CB-CB 3.82Å
234G98.3Very high97.4Very high0 Ų030.2 Ų30.20%015%0.153CC..Hα-helixtrans-64.9-41.9176.400000112.1D126 T145 M147 G232 K236 A237 L238D126-G234 PolarHBondContact OD2-N 2.9Å; T145-G234 WeakPolarHBondContact OG1-CA 3.45Å; M147-G234 WeakPolarHBondContact SD-CA 3.45Å; M147-G234 PolarHBondContact SD-N 3.33Å; M147-G234 VanDerWaalsContact SD-N 3.4Å; G232-G234 VanDerWaalsContact C-N 3.31Å; G234-K236 PolarHBondContact O-N 2.73Å; G234-A237 WeakPolarHBondContact O-CB 3.48Å; G234-A237 PolarHBondContact O-N 2.83Å; G234-L238 WeakPolarHBondContact O-CG 3.49Å; G234-L238 PolarHBondContact O-N 3.46Å
235H97.5Very high97.5Very high12 Ų1229.3 Ų29.36%0.05615%0.147CC..Hα-helixtrans-62.5-41.4175.5-178.870.1000112.5S142 H143 T145 Q163 G232 A237 L238 M239S142-H235 PolarHBondContact O-ND1 3.31Å; H143-H235 HydrophobicContact CB-CB 4.45Å; H143-H235 AromaticContact CD2-CD2 3.5Å; H143-H235 AromaticContact CD2-CE1 3.87Å; H143-H235 AromaticContact CD2-NE2 3.29Å; H143-H235 PolarHBondContact CD2-NE2 2.71Å; H143-H235 VanDerWaalsContact CD2-NE2 3.29Å; H143-H235 AromaticContact CG-CD2 3.89Å; H143-H235 AromaticContact NE2-NE2 3.81Å; H143-H235 VanDerWaalsContact O-CB 3.24Å; H143-H235 WeakPolarHBondContact O-CB 3.27Å; T145-H235 HydrophobicContact CG2-CB 4.21Å; Q163-H235 PolarHBondContact NE2-ND1 3.31Å; G232-H235 PolarHBondContact O-N 2.88Å; H235-A237 VanDerWaalsContact C-N 3.32Å; H235-A237 PolarHBondContact O-N 2.74Å; H235-L238 WeakPolarHBondContact O-CB 3.17Å; H235-L238 PolarHBondContact O-N 2.88Å; H235-M239 WeakPolarHBondContact O-CG 3.23Å; H235-M239 PolarHBondContact O-N 3.33Å
236K98.3Very high97.5Very high7 Ų724.6 Ų24.63%0.0312%0.121CC..Hα-helixtrans-62.5-37.9174.1-69.9-175.4-70.5-68.80112.2V205 V230 G232 A233 G234 M239 L240 Y248V205-K236 HydrophobicContact CG1-CB 4.11Å; V205-K236 HydrophobicContact CG1-CG 4.33Å; V205-K236 HydrophobicContact CG2-CB 4.3Å; V205-K236 HydrophobicContact CG2-CD 4.03Å; V205-K236 HydrophobicContact CG2-CG 3.68Å; V230-K236 HydrophobicContact CG2-CD 4.05Å; V230-K236 HydrophobicContact CG2-CG 3.48Å; V230-K236 VanDerWaalsContact CG2-CG 3.48Å; G232-K236 WeakPolarHBondContact O-CE 3.49Å; G232-K236 WeakPolarHBondContact O-CG 3.13Å; G232-K236 PolarHBondContact O-N 3.33Å; G232-K236 PolarHBondContact O-NZ 3.14Å; A233-K236 PolarHBondContact O-N 3.05Å; G234-K236 PolarHBondContact O-N 2.73Å; K236-M239 PolarHBondContact O-N 3.41Å; K236-L240 PolarHBondContact O-N 2.91Å; K236-Y248 HydrophobicContact CB-CD1 3.94Å; K236-Y248 HydrophobicContact CB-CD2 4.15Å; K236-Y248 HydrophobicContact CB-CE1 4.15Å; K236-Y248 HydrophobicContact CB-CE2 4.4Å; K236-Y248 HydrophobicContact CB-CG 3.95Å; K236-Y248 HydrophobicContact CD-CD2 3.68Å; K236-Y248 HydrophobicContact CD-CE2 3.48Å; K236-Y248 VanDerWaalsContact CD-CE2 3.48Å; K236-Y248 HydrophobicContact CD-CG 4.36Å; K236-Y248 WeakPolarHBondContact CE-OH 3.4Å; K236-Y248 HydrophobicContact CG-CD2 4.48Å
237A98.6Very high97.5Very high1 Ų120.8 Ų20.81%0.00810%0.103CC..Hα-helixtrans-65.2-41.7173.300000112.3I161 A233 G234 H235 M239 L240 L241 A263 L267I161-A237 HydrophobicContact CD1-CB 4.19Å; A233-A237 PolarHBondContact O-N 2.96Å; G234-A237 WeakPolarHBondContact O-CB 3.48Å; G234-A237 PolarHBondContact O-N 2.83Å; H235-A237 VanDerWaalsContact C-N 3.32Å; H235-A237 PolarHBondContact O-N 2.74Å; A237-M239 VanDerWaalsContact C-N 3.32Å; A237-M239 PolarHBondContact O-N 3.14Å; A237-L240 WeakPolarHBondContact O-CB 3.36Å; A237-L240 PolarHBondContact O-N 2.59Å; A237-L240 VanDerWaalsContact O-N 3.15Å; A237-L241 PolarHBondContact O-N 3.3Å; A237-L241 VanDerWaalsContact O-N 3.09Å; A237-A263 HydrophobicContact CB-CB 3.56Å; A237-L267 HydrophobicContact CB-CD1 4.39Å
238L98.1Very high97.5Very high1 Ų117.4 Ų17.41%0.0059%0.085CC..Hα-helixtrans-60-41.6174-67.1178.2000111.7T145 I161 Q163 V180 G234 H235 L240 L241 E242T145-L238 HydrophobicContact CG2-CD1 4.27Å; I161-L238 HydrophobicContact CB-CD2 4.38Å; I161-L238 HydrophobicContact CG2-CD1 3.86Å; I161-L238 HydrophobicContact CG2-CD2 4.11Å; I161-L238 HydrophobicContact CG2-CG 3.98Å; Q163-L238 HydrophobicContact CB-CD1 4.26Å; V180-L238 HydrophobicContact CB-CD2 4.05Å; V180-L238 HydrophobicContact CG1-CD2 4.47Å; V180-L238 HydrophobicContact CG2-CD2 3.77Å; G234-L238 WeakPolarHBondContact O-CG 3.49Å; G234-L238 PolarHBondContact O-N 3.46Å; H235-L238 WeakPolarHBondContact O-CB 3.17Å; H235-L238 PolarHBondContact O-N 2.88Å; L238-L240 PolarHBondContact O-N 2.98Å; L238-L241 HydrophobicContact CD2-CD1 4.21Å; L238-L241 PolarHBondContact O-N 2.99Å; L238-E242 WeakPolarHBondContact O-CB 3.4Å; L238-E242 WeakPolarHBondContact O-CG 3.32Å; L238-E242 PolarHBondContact O-N 3.07Å
239M98Very high97.6Very high17 Ų1716.4 Ų16.48%0.0848%0.079CC..Hα-helixtrans-58.7-35.4175.6-72.1-177.867.700112.9V205 C228 V230 H235 K236 A237 G243 K244 A245V205-M239 HydrophobicContact CB-CE 4.44Å; V205-M239 HydrophobicContact CG2-CE 4Å; V205-M239 HydrophobicContact CG2-SD 3.69Å; C228-M239 HydrophobicContact CB-CE 4.04Å; V230-M239 HydrophobicContact CG1-SD 4.36Å; V230-M239 HydrophobicContact CG2-SD 3.88Å; H235-M239 WeakPolarHBondContact O-CG 3.23Å; H235-M239 PolarHBondContact O-N 3.33Å; K236-M239 PolarHBondContact O-N 3.41Å; A237-M239 VanDerWaalsContact C-N 3.32Å; A237-M239 PolarHBondContact O-N 3.14Å; M239-G243 PolarHBondContact O-N 3.23Å; M239-K244 HydrophobicContact CB-CB 4.13Å; M239-K244 HydrophobicContact CE-CB 4.15Å; M239-K244 HydrophobicContact CG-CB 4.5Å; M239-K244 HydrophobicContact CG-CD 4.22Å; M239-K244 WeakPolarHBondContact O-CB 3.41Å; M239-K244 PolarHBondContact O-N 3.01Å; M239-A245 PolarHBondContact O-N 2.64Å
240L98.7Very high97.6Very high0 Ų011.4 Ų11.40%06%0.057CC..Hα-helixtrans-70.6-44.6175-63.2-172.6000112.1V205 K236 A237 L238 E242 G243 A245 L267 A298 A300V205-L240 HydrophobicContact CG1-CD2 4.22Å; K236-L240 PolarHBondContact O-N 2.91Å; A237-L240 WeakPolarHBondContact O-CB 3.36Å; A237-L240 PolarHBondContact O-N 2.59Å; A237-L240 VanDerWaalsContact O-N 3.15Å; L238-L240 PolarHBondContact O-N 2.98Å; L240-E242 PolarHBondContact O-N 3.39Å; L240-G243 PolarHBondContact O-N 3.35Å; L240-G243 VanDerWaalsContact O-N 3.11Å; L240-A245 HydrophobicContact CD2-CB 3.81Å; L240-A245 VanDerWaalsContact CD2-O 3.27Å; L240-A245 WeakPolarHBondContact CD2-O 3.5Å; L240-L267 HydrophobicContact CB-CD2 3.75Å; L240-L267 HydrophobicContact CD1-CD1 4.23Å; L240-L267 HydrophobicContact CD1-CD2 4.12Å; L240-A298 HydrophobicContact CD1-CB 3.73Å; L240-A300 HydrophobicContact CB-CB 3.94Å; L240-A300 HydrophobicContact CD2-CB 4.17Å; L240-A300 WeakPolarHBondContact O-CB 3.42Å
241L98.5Very high97.6Very high0 Ų010.6 Ų10.60%05%0.052CC..Hα-helixtrans-59.3-35.4176.4-67.1171.9000111.8V180 V192 L194 T195 A237 L238 G243 L266 L267 A270V180-L241 HydrophobicContact CG1-CD1 4.43Å; V192-L241 HydrophobicContact CG2-CB 4.29Å; L194-L241 WeakPolarHBondContact CA-O 3.46Å; L194-L241 HydrophobicContact CD2-CB 3.98Å; L194-L241 HydrophobicContact CD2-CD2 3.94Å; L194-L241 HydrophobicContact CD2-CG 4.49Å; T195-L241 PolarHBondContact N-O 2.89Å; T195-L241 VanDerWaalsContact N-O 3.08Å; A237-L241 PolarHBondContact O-N 3.3Å; A237-L241 VanDerWaalsContact O-N 3.09Å; L238-L241 HydrophobicContact CD2-CD1 4.21Å; L238-L241 PolarHBondContact O-N 2.99Å; L241-G243 VanDerWaalsContact C-N 3.3Å; L241-G243 PolarHBondContact O-N 3.17Å; L241-L266 HydrophobicContact CD1-CB 4.12Å; L241-L266 HydrophobicContact CD1-CD2 4.43Å; L241-L267 HydrophobicContact CD2-CD2 3.92Å; L241-L267 HydrophobicContact CG-CD2 4.09Å; L241-A270 HydrophobicContact CD2-CB 3.43Å; L241-A270 VanDerWaalsContact CD2-CB 3.43Å
242E97.6Very high97.2Very high28 Ų2811.6 Ų11.613%0.1316%0.063CC..THydrogen-bonded Turntrans-84.23.8179.6-65.617215600113.9R178 V192 L238 L240 K244R178-E242 IonicContact CZ-OE1 2.95Å; R178-E242 IonicContact NH1-OE1 3.97Å; R178-E242 PolarHBondContact NH1-OE1 2.93Å; R178-E242 IonicContact NH2-OE1 2.86Å; R178-E242 PolarHBondContact NH2-OE1 3.17Å; R178-E242 IonicContact NH2-OE2 3.72Å; V192-E242 HydrophobicContact CG2-CG 4.19Å; L238-E242 WeakPolarHBondContact O-CB 3.4Å; L238-E242 WeakPolarHBondContact O-CG 3.32Å; L238-E242 PolarHBondContact O-N 3.07Å; L240-E242 PolarHBondContact O-N 3.39Å; E242-K244 HydrophobicContact CB-CD 4.29Å; E242-K244 HydrophobicContact CB-CG 4.13Å; E242-K244 PolarHBondContact O-N 3.29Å; E242-K244 WeakPolarHBondContact OE2-CD 3.34Å; E242-K244 WeakPolarHBondContact OE2-CE 3.47Å; E242-K244 IonicContact OE2-NZ 2.72Å; E242-K244 PolarHBondContact OE2-NZ 2.91Å
243G97.6Very high96.8Very high9 Ų913.9 Ų13.99%0.0939%0.086CC..THydrogen-bonded Turntrans66.816.1-179.500000114.5T195 P197 M239 L240 L241 A245T195-G243 WeakPolarHBondContact O-CA 3.25Å; T195-G243 PolarHBondContact O-N 3.17Å; T195-G243 VanDerWaalsContact O-N 3.1Å; P197-G243 WeakPolarHBondContact CA-O 3.45Å; M239-G243 PolarHBondContact O-N 3.23Å; L240-G243 PolarHBondContact O-N 3.35Å; L240-G243 VanDerWaalsContact O-N 3.11Å; L241-G243 VanDerWaalsContact C-N 3.3Å; L241-G243 PolarHBondContact O-N 3.17Å; G243-A245 VanDerWaalsContact C-N 3.32Å
244K97.3Very high96.4Very high106 Ų10616.7 Ų16.746%0.46112%0.115SC..SBendtrans-76.4-21178-65.6175.7177.6163.10112.7I203 M239 E242I203-K244 WeakPolarHBondContact CD1-O 3.16Å; I203-K244 WeakPolarHBondContact CG2-O 3.18Å; M239-K244 HydrophobicContact CB-CB 4.13Å; M239-K244 HydrophobicContact CE-CB 4.15Å; M239-K244 HydrophobicContact CG-CB 4.5Å; M239-K244 HydrophobicContact CG-CD 4.22Å; M239-K244 WeakPolarHBondContact O-CB 3.41Å; M239-K244 PolarHBondContact O-N 3.01Å; E242-K244 HydrophobicContact CB-CD 4.29Å; E242-K244 HydrophobicContact CB-CG 4.13Å; E242-K244 PolarHBondContact O-N 3.29Å; E242-K244 WeakPolarHBondContact OE2-CD 3.34Å; E242-K244 WeakPolarHBondContact OE2-CE 3.47Å; E242-K244 IonicContact OE2-NZ 2.72Å; E242-K244 PolarHBondContact OE2-NZ 2.91Å
245A98.3Very high96.3Very high0 Ų017.2 Ų17.20%012%0.118CC..  trans-144.9156.717400000111.2I203 V205 M239 L240 G243 A300I203-A245 HydrophobicContact CB-CB 4.33Å; I203-A245 HydrophobicContact CG2-CB 3.89Å; V205-A245 HydrophobicContact CB-CB 3.94Å; V205-A245 HydrophobicContact CG1-CB 4.02Å; M239-A245 PolarHBondContact O-N 2.64Å; L240-A245 HydrophobicContact CD2-CB 3.81Å; L240-A245 VanDerWaalsContact CD2-O 3.27Å; L240-A245 WeakPolarHBondContact CD2-O 3.5Å; G243-A245 VanDerWaalsContact C-N 3.32Å; A245-A300 VanDerWaalsContact O-CB 3.28Å; A245-A300 WeakPolarHBondContact O-CB 3.26Å
246H98.4Very high96.2Very high19 Ų1919 Ų199%0.08813%0.126CC..SBendtrans-85.9-36.4176.3-59.572.9000112.1P197 P198 K201 L202 I203 L299 A300 A303P197-H246 HydrophobicContact CG-CB 4.41Å; P197-H246 VanDerWaalsContact CG-CD2 3.42Å; P197-H246 WeakPolarHBondContact CG-CD2 3.44Å; P198-H246 PolarHBondContact O-CE1 2.72Å; P198-H246 VanDerWaalsContact O-CE1 3.29Å; P198-H246 PolarHBondContact O-NE2 2.94Å; K201-H246 PolarHBondContact O-CE1 3.04Å; K201-H246 PolarHBondContact O-NE2 3.01Å; L202-H246 HydrophobicContact CD1-CB 3.85Å; I203-H246 PolarHBondContact N-ND1 3.42Å; I203-H246 PolarHBondContact O-N 3.23Å; H246-L299 WeakPolarHBondContact O-CA 3.38Å; H246-A300 PolarHBondContact O-N 3.38Å; H246-A303 HydrophobicContact CB-CB 4.45Å
247A98.4Very high96.2Very high0 Ų019 Ų190%013%0.126CC..EExtended strand (participates in β ladder)trans-141.6141.5-17800000112.8I203 V204 V205 I249 A298 L299 L307I203-A247 PolarHBondContact O-N 3.35Å; V204-A247 CarbonylContact C-O 3.56Å; V204-A247 WeakPolarHBondContact CA-O 3.24Å; V204-A247 HydrophobicContact CG2-CB 4.48Å; V205-A247 PolarHBondContact N-O 2.83Å; A247-I249 HydrophobicContact CB-CD1 4.36Å; A247-I249 HydrophobicContact CB-CG1 4.13Å; A247-A298 CarbonylContact C-O 3.53Å; A247-A298 WeakPolarHBondContact CA-O 3.32Å; A247-L299 HydrophobicContact CB-CD2 3.76Å; A247-L307 HydrophobicContact CB-CD2 3.62Å
248Y98.3Very high96.2Very high7 Ų719.5 Ų19.53%0.02713%0.128CC..EExtended strand (participates in β ladder)trans-98.9117162.9168.5-155.6000107.9V205 K236 F250 I296 L297 A298V205-Y248 HydrophobicContact CG1-CD2 4.43Å; V205-Y248 HydrophobicContact CG1-CG 4.32Å; V205-Y248 WeakPolarHBondContact O-CA 3.38Å; K236-Y248 HydrophobicContact CB-CD1 3.94Å; K236-Y248 HydrophobicContact CB-CD2 4.15Å; K236-Y248 HydrophobicContact CB-CE1 4.15Å; K236-Y248 HydrophobicContact CB-CE2 4.4Å; K236-Y248 HydrophobicContact CB-CG 3.95Å; K236-Y248 HydrophobicContact CD-CD2 3.68Å; K236-Y248 HydrophobicContact CD-CE2 3.48Å; K236-Y248 VanDerWaalsContact CD-CE2 3.48Å; K236-Y248 HydrophobicContact CD-CG 4.36Å; K236-Y248 WeakPolarHBondContact CE-OH 3.4Å; K236-Y248 HydrophobicContact CG-CD2 4.48Å; Y248-F250 HydrophobicContact CE2-CB 3.81Å; Y248-I296 HydrophobicContact CD1-CG2 3.83Å; Y248-I296 HydrophobicContact CE1-CB 4.18Å; Y248-I296 HydrophobicContact CE1-CD1 3.93Å; Y248-I296 HydrophobicContact CE1-CG2 3.68Å; Y248-I296 HydrophobicContact CG-CG2 4.5Å; Y248-L297 WeakPolarHBondContact O-CA 3.25Å; Y248-A298 HydrophobicContact CD1-CB 4.3Å; Y248-A298 PolarHBondContact N-O 2.87Å; Y248-A298 PolarHBondContact O-N 3.44Å
249I97.6Very high96.3Very high0 Ų020.4 Ų20.40%013%0.132CC..EExtended strand (participates in β ladder)trans-120.5125.7179.1-56.1-177.9000109.8V204 V205 T206 L215 T218 L222 A247 T251 I296 L297 V311V204-I249 HydrophobicContact CG1-CB 4.09Å; V204-I249 HydrophobicContact CG1-CD1 3.96Å; V204-I249 HydrophobicContact CG1-CG1 3.95Å; V204-I249 HydrophobicContact CG2-CD1 4.31Å; V205-I249 PolarHBondContact O-N 3.21Å; T206-I249 VanDerWaalsContact CB-O 3.22Å; T206-I249 WeakPolarHBondContact CB-O 3.38Å; T206-I249 PolarHBondContact OG1-O 2.9Å; L215-I249 HydrophobicContact CD1-CG2 4.12Å; T218-I249 HydrophobicContact CG2-CG2 4Å; L222-I249 HydrophobicContact CD1-CD1 3.23Å; A247-I249 HydrophobicContact CB-CD1 4.36Å; A247-I249 HydrophobicContact CB-CG1 4.13Å; I249-T251 HydrophobicContact CG2-CG2 4.33Å; I249-I296 CarbonylContact C-O 3.51Å; I249-I296 WeakPolarHBondContact CA-O 3.46Å; I249-L297 HydrophobicContact CD1-CD1 4.42Å; I249-L297 HydrophobicContact CG1-CD1 3.98Å; I249-V311 HydrophobicContact CD1-CG2 3.78Å
250F97Very high96.3Very high7 Ų719.6 Ų19.63%0.03113%0.128CC..EExtended strand (participates in β ladder)trans-137.7127.2169.4177.8-108.2000107.8T207 H210 Y248 T255 I277 G295 I296T207-F250 HydrophobicContact CG2-CD2 3.79Å; T207-F250 HydrophobicContact CG2-CE2 3.9Å; H210-F250 HydrophobicContact CB-CE2 4.18Å; H210-F250 WeakPolarHBondContact O-CE2 3.28Å; Y248-F250 HydrophobicContact CE2-CB 3.81Å; F250-T255 HydrophobicContact CD1-CG2 4.05Å; F250-T255 HydrophobicContact CE1-CG2 3.98Å; F250-I277 WeakPolarHBondContact O-CG2 3.46Å; F250-G295 CarbonylContact O-C 3.47Å; F250-G295 VanDerWaalsContact O-C 3.28Å; F250-G295 WeakPolarHBondContact O-CA 3.27Å; F250-I296 HydrophobicContact CB-CB 4.34Å; F250-I296 PolarHBondContact N-O 2.97Å; F250-I296 PolarHBondContact O-N 2.82Å
251T94.1Very high96.3Very high0 Ų019.6 Ų19.60%013%0.128CC..  trans-107.9152.8-178.358.50000110N212 L214 L215 T218 I249 I277N212-T251 PolarHBondContact ND2-O 2.88Å; N212-T251 PolarHBondContact OD1-OG1 2.75Å; L214-T251 HydrophobicContact CG-CG2 4.2Å; L215-T251 WeakPolarHBondContact CA-OG1 3.28Å; L215-T251 VanDerWaalsContact CB-OG1 3.25Å; L215-T251 WeakPolarHBondContact CB-OG1 3.46Å; L215-T251 HydrophobicContact CD1-CG2 4.42Å; L215-T251 PolarHBondContact N-OG1 3.44Å; T218-T251 HydrophobicContact CG2-CG2 4.44Å; I249-T251 HydrophobicContact CG2-CG2 4.33Å; T251-I277 HydrophobicContact CG2-CG2 4.29Å
252G87Confident96.3Very high23 Ų2319.6 Ų19.624%0.23713%0.128CC..SBendtrans79.6-171179.700000114.5A293 G295G252-A293 CarbonylContact C-O 3.52Å; G252-G295 WeakPolarHBondContact O-CA 3.21Å; G252-G295 PolarHBondContact O-N 3.39Å
253G86.8Confident96.4Very high52 Ų5218.3 Ų18.354%0.53612%0.123SC..SBendtrans-82162.6175.500000112.5
254G90.3Very high96.4Very high61 Ų6118.7 Ų18.763%0.62912%0.122SC*.  trans148.6-33.9172.900000112.8
255T95.6Very high96.5Very high11 Ų1113.6 Ų13.67%0.06710%0.1CC..  trans-93162.2173.663.30000111.8F250 D259 N292 I296F250-T255 HydrophobicContact CD1-CG2 4.05Å; F250-T255 HydrophobicContact CE1-CG2 3.98Å; T255-D259 WeakPolarHBondContact CA-OD2 3.26Å; T255-D259 WeakPolarHBondContact CB-OD2 3.47Å; T255-D259 HydrophobicContact CG2-CB 4.31Å; T255-N292 WeakPolarHBondContact O-CB 3.48Å; T255-N292 PolarHBondContact O-N 3.11Å; T255-N292 WeakPolarHBondContact OG1-CB 3.34Å; T255-N292 PolarHBondContact OG1-ND2 2.96Å; T255-I296 HydrophobicContact CG2-CD1 3.71Å; T255-I296 WeakPolarHBondContact OG1-CD1 3.49Å
256K97.1Very high96.5Very high50 Ų5013.6 Ų13.622%0.21710%0.1CC..BIsolated β-bridgetrans-130.5177.7-179.8-65175.2-17393.50110.2W258 D259 L290 N292K256-W258 HydrophobicContact CB-CD2 3.93Å; K256-W258 HydrophobicContact CB-CE3 4.35Å; K256-W258 HydrophobicContact CB-CG 4.45Å; K256-W258 HydrophobicContact CB-CH2 4.37Å; K256-W258 HydrophobicContact CB-CZ2 3.96Å; K256-W258 HydrophobicContact CD-CH2 3.41Å; K256-W258 VanDerWaalsContact CD-CH2 3.41Å; K256-W258 HydrophobicContact CD-CZ2 3.02Å; K256-W258 HydrophobicContact CD-CZ3 4.29Å; K256-W258 HydrophobicContact CG-CZ2 4.12Å; K256-W258 PolarHBondContact O-N 3.31Å; K256-D259 PolarHBondContact N-OD2 3.15Å; K256-D259 WeakPolarHBondContact O-CB 3.28Å; K256-D259 PolarHBondContact O-N 3.09Å; K256-D259 VanDerWaalsContact O-N 3.12Å; K256-L290 CarbonylContact C-O 3.52Å; K256-L290 WeakPolarHBondContact CA-O 3.19Å; K256-L290 WeakPolarHBondContact CB-O 3.39Å; K256-N292 VanDerWaalsContact C-ND2 3.29Å; K256-N292 PolarHBondContact O-ND2 3.18Å
257K98.2Very high96.5Very high8 Ų812.7 Ų12.74%0.03510%0.096CC..Hα-helixtrans-61.4-29.1-174.9-63.4-58.1166.3-70.80113.8W121 D259 T260 C261 V283 Y284 V288 Q289 L290 N291 N292W121-K257 HydrophobicContact CD2-CB 3.77Å; W121-K257 HydrophobicContact CE3-CB 3.45Å; W121-K257 VanDerWaalsContact CE3-CB 3.45Å; W121-K257 HydrophobicContact CE3-CG 4.4Å; W121-K257 HydrophobicContact CH2-CB 3.74Å; W121-K257 HydrophobicContact CH2-CG 3.79Å; W121-K257 HydrophobicContact CZ2-CB 4.06Å; W121-K257 HydrophobicContact CZ2-CG 4.15Å; W121-K257 HydrophobicContact CZ3-CB 3.43Å; W121-K257 VanDerWaalsContact CZ3-CB 3.43Å; W121-K257 HydrophobicContact CZ3-CG 3.94Å; K257-D259 VanDerWaalsContact C-N 3.34Å; K257-T260 PolarHBondContact O-N 2.59Å; K257-T260 PolarHBondContact O-OG1 3.28Å; K257-C261 WeakPolarHBondContact O-CB 3.22Å; K257-C261 PolarHBondContact O-N 2.87Å; K257-V283 WeakPolarHBondContact CD-O 3.45Å; K257-V283 WeakPolarHBondContact CE-O 3.46Å; K257-Y284 HydrophobicContact CB-CD1 3.89Å; K257-Y284 HydrophobicContact CB-CE1 4.03Å; K257-Y284 HydrophobicContact CD-CD1 3.92Å; K257-Y284 HydrophobicContact CD-CE1 3.87Å; K257-Y284 HydrophobicContact CG-CD1 4.27Å; K257-Y284 HydrophobicContact CG-CE1 4.48Å; K257-Y284 WeakPolarHBondContact O-CE1 3.34Å; K257-V288 HydrophobicContact CD-CG2 4.49Å; K257-V288 HydrophobicContact CG-CG2 4.11Å; K257-Q289 VanDerWaalsContact CE-O 3.32Å; K257-Q289 WeakPolarHBondContact CE-O 3.16Å; K257-Q289 PolarHBondContact NZ-O 2.69Å; K257-L290 WeakPolarHBondContact CG-O 3.32Å; K257-L290 PolarHBondContact N-O 3.28Å; K257-L290 PolarHBondContact NZ-O 2.86Å; K257-N291 PolarHBondContact NZ-O 3.49Å; K257-N292 PolarHBondContact NZ-OD1 3.36Å
258W98.5Very high96.5Very high10 Ų1019.1 Ų19.14%0.03812%0.121CC..Hα-helixtrans-68.7-30.3176.14881.1000113.3I76 E78 W121 D123 K256 T260 L290I76-W258 HydrophobicContact CG2-CE3 4.41Å; I76-W258 HydrophobicContact CG2-CZ3 4.2Å; E78-W258 VanDerWaalsContact CA-CZ2 3.42Å; E78-W258 HydrophobicContact CB-CD2 4.11Å; E78-W258 VanDerWaalsContact CB-CE2 3.5Å; E78-W258 HydrophobicContact CB-CG 4.48Å; E78-W258 HydrophobicContact CB-CH2 4.33Å; E78-W258 HydrophobicContact CB-CZ2 3.59Å; E78-W258 HydrophobicContact CG-CZ2 3.56Å; E78-W258 PolarHBondContact OE2-NE1 2.94Å; W121-W258 HydrophobicContact CE3-CE3 4.18Å; W121-W258 HydrophobicContact CZ3-CE3 4.31Å; D123-W258 HydrophobicContact CB-CB 4.08Å; D123-W258 HydrophobicContact CB-CG 4.3Å; K256-W258 HydrophobicContact CB-CD2 3.93Å; K256-W258 HydrophobicContact CB-CE3 4.35Å; K256-W258 HydrophobicContact CB-CG 4.45Å; K256-W258 HydrophobicContact CB-CH2 4.37Å; K256-W258 HydrophobicContact CB-CZ2 3.96Å; K256-W258 HydrophobicContact CD-CH2 3.41Å; K256-W258 VanDerWaalsContact CD-CH2 3.41Å; K256-W258 HydrophobicContact CD-CZ2 3.02Å; K256-W258 HydrophobicContact CD-CZ3 4.29Å; K256-W258 HydrophobicContact CG-CZ2 4.12Å; K256-W258 PolarHBondContact O-N 3.31Å; W258-T260 PolarHBondContact O-N 3.06Å; W258-L290 HydrophobicContact CH2-CD1 4.24Å; W258-L290 HydrophobicContact CZ3-CD1 4.17Å; W258-L290 HydrophobicContact CZ3-CD2 4.31Å
259D98.3Very high96.5Very high20 Ų2020.6 Ų20.611%0.10713%0.128CC..Hα-helixtrans-67-20.5173.4-64.6-88000113.8M147 A233 T255 K256 K257M147-D259 VanDerWaalsContact CE-O 3.23Å; M147-D259 WeakPolarHBondContact CE-O 3.34Å; A233-D259 HydrophobicContact CB-CB 3.82Å; T255-D259 WeakPolarHBondContact CA-OD2 3.26Å; T255-D259 WeakPolarHBondContact CB-OD2 3.47Å; T255-D259 HydrophobicContact CG2-CB 4.31Å; K256-D259 PolarHBondContact N-OD2 3.15Å; K256-D259 WeakPolarHBondContact O-CB 3.28Å; K256-D259 PolarHBondContact O-N 3.09Å; K256-D259 VanDerWaalsContact O-N 3.12Å; K257-D259 VanDerWaalsContact C-N 3.34Å
260T98.7Very high96.5Very high0 Ų021.4 Ų21.40%014%0.135CC..Hα-helixtrans-119.5-30.1-169.757.40000114.1K257 W258 A262 A263 E264 L274 Y282 Y284 N292 I296K257-T260 PolarHBondContact O-N 2.59Å; K257-T260 PolarHBondContact O-OG1 3.28Å; W258-T260 PolarHBondContact O-N 3.06Å; T260-A262 PolarHBondContact O-N 3.08Å; T260-A263 PolarHBondContact O-N 3.22Å; T260-E264 VanDerWaalsContact O-CB 3.27Å; T260-E264 WeakPolarHBondContact O-CB 3.17Å; T260-E264 PolarHBondContact O-N 2.83Å; T260-L274 HydrophobicContact CG2-CD2 4.06Å; T260-Y282 HydrophobicContact CG2-CE2 4.18Å; T260-Y284 VanDerWaalsContact CB-OH 3.24Å; T260-Y284 WeakPolarHBondContact CB-OH 3.25Å; T260-Y284 WeakPolarHBondContact OG1-CE1 3.48Å; T260-Y284 PolarHBondContact OG1-OH 2.87Å; T260-N292 WeakPolarHBondContact CG2-ND2 3.37Å; T260-I296 HydrophobicContact CG2-CD1 3.48Å; T260-I296 VanDerWaalsContact CG2-CD1 3.48Å; T260-I296 HydrophobicContact CG2-CG1 3.77Å
261C98.8Very high96.6Very high0 Ų024 Ų240%016%0.163CC..Hα-helixtrans-58.7-48.1-170.3-170.80000113.1W121 K257 C265 Y284W121-C261 HydrophobicContact CB-CB 3.89Å; W121-C261 HydrophobicContact CG-CB 4.16Å; K257-C261 WeakPolarHBondContact O-CB 3.22Å; K257-C261 PolarHBondContact O-N 2.87Å; C261-C265 PolarHBondContact O-N 3.24Å; C261-Y284 VanDerWaalsContact CA-CE1 3.43Å; C261-Y284 HydrophobicContact CB-CD1 3.56Å; C261-Y284 HydrophobicContact CB-CE1 3.43Å; C261-Y284 VanDerWaalsContact CB-CE1 3.43Å; C261-Y284 HydrophobicContact CB-CG 4.37Å
262A98.9Very high96.7Very high0 Ų024.6 Ų24.60%017%0.169CC..Hα-helixtrans-69.5-45.5179.200000111.6M147 I161 T260 E264 C265 L266M147-A262 HydrophobicContact CB-CB 4.26Å; M147-A262 HydrophobicContact CE-CB 3.97Å; I161-A262 HydrophobicContact CG1-CB 4.19Å; T260-A262 PolarHBondContact O-N 3.08Å; A262-E264 VanDerWaalsContact C-N 3.35Å; A262-E264 PolarHBondContact O-N 3.22Å; A262-C265 PolarHBondContact O-N 2.93Å; A262-L266 PolarHBondContact O-N 2.77Å; A262-L266 VanDerWaalsContact O-N 3.09Å
263A98.8Very high97.2Very high2 Ų225.6 Ų25.62%0.01717%0.173CC..Hα-helixtrans-61-41.4-179.800000112.4M147 I161 A237 T260 L266 L267 L274M147-A263 HydrophobicContact CE-CB 3.91Å; I161-A263 HydrophobicContact CD1-CB 4.32Å; A237-A263 HydrophobicContact CB-CB 3.56Å; T260-A263 PolarHBondContact O-N 3.22Å; A263-L266 PolarHBondContact O-N 2.93Å; A263-L267 WeakPolarHBondContact O-CB 3.45Å; A263-L267 VanDerWaalsContact O-CG 3.32Å; A263-L267 WeakPolarHBondContact O-CG 3.32Å; A263-L267 PolarHBondContact O-N 3.07Å; A263-L274 HydrophobicContact CB-CD1 3.91Å
264E98.7Very high97.8Very high16 Ų1623.4 Ų23.48%0.07515%0.149CC..Hα-helixtrans-62.8-44.3178.5-176.6175.4148.500111.6P156 T260 A262 Y268 L274 Y284P156-E264 HydrophobicContact CG-CB 4.16Å; P156-E264 HydrophobicContact CG-CG 3.83Å; P156-E264 WeakPolarHBondContact CG-OE1 3.35Å; T260-E264 VanDerWaalsContact O-CB 3.27Å; T260-E264 WeakPolarHBondContact O-CB 3.17Å; T260-E264 PolarHBondContact O-N 2.83Å; A262-E264 VanDerWaalsContact C-N 3.35Å; A262-E264 PolarHBondContact O-N 3.22Å; E264-Y268 VanDerWaalsContact O-CB 3.25Å; E264-Y268 WeakPolarHBondContact O-CB 3.4Å; E264-Y268 PolarHBondContact O-N 3.29Å; E264-L274 HydrophobicContact CB-CB 4.06Å; E264-L274 HydrophobicContact CB-CD1 4.36Å; E264-L274 HydrophobicContact CB-CD2 4.25Å; E264-L274 HydrophobicContact CB-CG 4.45Å; E264-L274 HydrophobicContact CG-CB 4.1Å; E264-Y284 WeakPolarHBondContact OE2-CE2 3.47Å; E264-Y284 VanDerWaalsContact OE2-CZ 3.26Å; E264-Y284 PolarHBondContact OE2-OH 3.29Å
265C98.7Very high98.1Very high0 Ų021.2 Ų21.20%012%0.123CC..Hα-helixtrans-62.3-46.3176.4-170.80000111.6P156 V157 A158 C261 A262 E269P156-C265 HydrophobicContact CB-CB 4.29Å; V157-C265 VanDerWaalsContact C-SG 3.59Å; A158-C265 WeakPolarHBondContact CA-SG 3.45Å; C261-C265 PolarHBondContact O-N 3.24Å; A262-C265 PolarHBondContact O-N 2.93Å; C265-E269 WeakPolarHBondContact O-CB 3.42Å; C265-E269 WeakPolarHBondContact O-CG 3.25Å; C265-E269 PolarHBondContact O-N 3.19Å
266L98.8Very high98.1Very high0 Ų021.1 Ų21.10%012%0.123CC..Hα-helixtrans-62.3-48.8-179.6-81.7160.4000112.2I161 V180 A182 V188 L241 A262 A263 E269 A270I161-L266 HydrophobicContact CB-CD1 4.04Å; I161-L266 HydrophobicContact CD1-CD1 3.42Å; I161-L266 VanDerWaalsContact CD1-CD1 3.42Å; I161-L266 HydrophobicContact CG1-CD1 3.45Å; I161-L266 VanDerWaalsContact CG1-CD1 3.45Å; V180-L266 HydrophobicContact CG1-CD2 3.79Å; A182-L266 HydrophobicContact CB-CD2 3.7Å; A182-L266 HydrophobicContact CB-CG 4.11Å; V188-L266 HydrophobicContact CG1-CD2 3.77Å; V188-L266 HydrophobicContact CG2-CD2 4.25Å; V188-L266 VanDerWaalsContact CG2-O 3.28Å; V188-L266 WeakPolarHBondContact CG2-O 3.28Å; L241-L266 HydrophobicContact CD1-CB 4.12Å; L241-L266 HydrophobicContact CD1-CD2 4.43Å; A262-L266 PolarHBondContact O-N 2.77Å; A262-L266 VanDerWaalsContact O-N 3.09Å; A263-L266 PolarHBondContact O-N 2.93Å; L266-E269 PolarHBondContact O-N 2.88Å; L266-A270 WeakPolarHBondContact O-CB 3.3Å; L266-A270 PolarHBondContact O-N 3.42Å; L266-A270 VanDerWaalsContact O-N 3.07Å
267L98.7Very high98Very high0 Ų019 Ų190%011%0.113CC..Hα-helixtrans-64.1-43.2179.4-72.8167.2000111.2A237 L240 L241 A263 E269 A270 G271 G272 L274 A298A237-L267 HydrophobicContact CB-CD1 4.39Å; L240-L267 HydrophobicContact CB-CD2 3.75Å; L240-L267 HydrophobicContact CD1-CD1 4.23Å; L240-L267 HydrophobicContact CD1-CD2 4.12Å; L241-L267 HydrophobicContact CD2-CD2 3.92Å; L241-L267 HydrophobicContact CG-CD2 4.09Å; A263-L267 WeakPolarHBondContact O-CB 3.45Å; A263-L267 VanDerWaalsContact O-CG 3.32Å; A263-L267 WeakPolarHBondContact O-CG 3.32Å; A263-L267 PolarHBondContact O-N 3.07Å; L267-E269 PolarHBondContact O-N 3.49Å; L267-A270 PolarHBondContact O-N 3.49Å; L267-G271 PolarHBondContact O-N 2.96Å; L267-G272 CarbonylContact O-C 3.54Å; L267-G272 VanDerWaalsContact O-CA 3.3Å; L267-G272 WeakPolarHBondContact O-CA 3.47Å; L267-G272 PolarHBondContact O-N 2.87Å; L267-L274 HydrophobicContact CD1-CB 4.13Å; L267-L274 HydrophobicContact CD1-CD1 4.09Å; L267-A298 HydrophobicContact CD1-CB 3.73Å
268Y98.3Very high97.7Very high135 Ų13524 Ų2453%0.52914%0.135SC..Hα-helixtrans-58.9-49.2176.1-177.7-78.5000111.8R184 E264 A270 G271R184-Y268 VanDerWaalsContact NH1-CE2 3.25Å; E264-Y268 VanDerWaalsContact O-CB 3.25Å; E264-Y268 WeakPolarHBondContact O-CB 3.4Å; E264-Y268 PolarHBondContact O-N 3.29Å; Y268-A270 PolarHBondContact O-N 3.41Å; Y268-G271 PolarHBondContact O-N 3.24Å
269E98Very high97.4Very high38 Ų3825.5 Ų25.518%0.17815%0.154CC..Hα-helixtrans-66.8-20.3-178.9-74.8-61.5122.300113A182 R184 S185 A186 G187 V188 C265 L266 L267A182-E269 HydrophobicContact CB-CB 4.02Å; A182-E269 HydrophobicContact CB-CG 4.06Å; R184-E269 WeakPolarHBondContact CA-OE1 3.15Å; R184-E269 VanDerWaalsContact CD-OE1 3.23Å; R184-E269 WeakPolarHBondContact CD-OE1 3.3Å; S185-E269 PolarHBondContact N-OE1 2.77Å; S185-E269 PolarHBondContact N-OE2 2.83Å; S185-E269 VanDerWaalsContact N-OE2 3.1Å; A186-E269 PolarHBondContact N-OE2 2.81Å; G187-E269 WeakPolarHBondContact CA-OE2 3.49Å; G187-E269 PolarHBondContact N-OE2 2.91Å; V188-E269 HydrophobicContact CG2-CB 3.94Å; C265-E269 WeakPolarHBondContact O-CB 3.42Å; C265-E269 WeakPolarHBondContact O-CG 3.25Å; C265-E269 PolarHBondContact O-N 3.19Å; L266-E269 PolarHBondContact O-N 2.88Å; L267-E269 PolarHBondContact O-N 3.49Å
270A98.1Very high97.2Very high17 Ų1729.6 Ų29.614%0.1417%0.172CC..THydrogen-bonded Turntrans-86.3-5171.300000113.6V188 L194 L241 L266 L267 Y268 P301V188-A270 HydrophobicContact CG2-CB 3.87Å; L194-A270 HydrophobicContact CD1-CB 3.98Å; L194-A270 HydrophobicContact CD2-CB 4.05Å; L241-A270 HydrophobicContact CD2-CB 3.43Å; L241-A270 VanDerWaalsContact CD2-CB 3.43Å; L266-A270 WeakPolarHBondContact O-CB 3.3Å; L266-A270 PolarHBondContact O-N 3.42Å; L266-A270 VanDerWaalsContact O-N 3.07Å; L267-A270 PolarHBondContact O-N 3.49Å; Y268-A270 PolarHBondContact O-N 3.41Å; A270-P301 HydrophobicContact CB-CG 3.46Å; A270-P301 VanDerWaalsContact CB-CG 3.46Å; A270-P301 VanDerWaalsContact O-CB 3.23Å; A270-P301 WeakPolarHBondContact O-CB 3.16Å; A270-P301 VanDerWaalsContact O-CG 3.28Å; A270-P301 WeakPolarHBondContact O-CG 3.24Å
271G97.6Very high97.1Very high60 Ų6035.3 Ų35.362%0.61920%0.203SC*.THydrogen-bonded Turntrans86.313.2-175.900000114.9L267 Y268L267-G271 PolarHBondContact O-N 2.96Å; Y268-G271 PolarHBondContact O-N 3.24Å
272G97.9Very high97.1Very high13 Ų1336.5 Ų36.513%0.13421%0.208CC..  trans-91.2-163.6166.800000112.4L267 L299L267-G272 CarbonylContact O-C 3.54Å; L267-G272 VanDerWaalsContact O-CA 3.3Å; L267-G272 WeakPolarHBondContact O-CA 3.47Å; L267-G272 PolarHBondContact O-N 2.87Å; G272-L299 VanDerWaalsContact CA-O 3.25Å; G272-L299 WeakPolarHBondContact CA-O 3.37Å
273S97.9Very high97Very high44 Ų4440.4 Ų40.431%0.30823%0.232SC..EExtended strand (participates in β ladder)trans-149.5158.8177.163.60000112.2A298 L299S273-A298 CarbonylContact O-C 3.44Å; S273-A298 WeakPolarHBondContact O-CA 3.27Å; S273-A298 WeakPolarHBondContact O-CB 3.23Å; S273-L299 PolarHBondContact N-O 2.97Å; S273-L299 VanDerWaalsContact N-O 3.08Å; S273-L299 PolarHBondContact O-N 3.34Å
274L98.4Very high97Very high6 Ų640.3 Ų40.33%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-142.9124.2169.4-172.2158.5000108.7T260 A263 E264 L267 Y282 I296 L297 A298T260-L274 HydrophobicContact CG2-CD2 4.06Å; A263-L274 HydrophobicContact CB-CD1 3.91Å; E264-L274 HydrophobicContact CB-CB 4.06Å; E264-L274 HydrophobicContact CB-CD1 4.36Å; E264-L274 HydrophobicContact CB-CD2 4.25Å; E264-L274 HydrophobicContact CB-CG 4.45Å; E264-L274 HydrophobicContact CG-CB 4.1Å; L267-L274 HydrophobicContact CD1-CB 4.13Å; L267-L274 HydrophobicContact CD1-CD1 4.09Å; L274-Y282 HydrophobicContact CD2-CD2 3.68Å; L274-Y282 HydrophobicContact CD2-CE2 3.6Å; L274-I296 HydrophobicContact CD1-CG2 4.26Å; L274-I296 HydrophobicContact CD2-CG2 4.32Å; L274-I296 HydrophobicContact CG-CG2 4.06Å; L274-L297 WeakPolarHBondContact CA-O 3.28Å; L274-A298 HydrophobicContact CB-CB 3.96Å; L274-A298 HydrophobicContact CD1-CB 4.08Å; L274-A298 HydrophobicContact CG-CB 3.84Å
275T97.2Very high96.9Very high16 Ų1640.8 Ų40.810%0.09824%0.237CC..EExtended strand (participates in β ladder)trans-139.4179.1179.354.90000110.1Q280 N281 L297T275-Q280 WeakPolarHBondContact CA-O 3.44Å; T275-Q280 WeakPolarHBondContact CB-O 3.4Å; T275-N281 WeakPolarHBondContact CG2-OD1 3.5Å; T275-L297 PolarHBondContact N-O 3.41Å; T275-L297 PolarHBondContact O-N 2.92Å; T275-L297 PolarHBondContact OG1-O 2.95Å
276D95.8Very high96.7Very high9 Ų945.7 Ų45.75%0.04826%0.263CS..  trans-73.1168.7160.683.71.8000111.7K278 G279 Q280 Y282 N294 G295D276-K278 PolarHBondContact O-N 2.65Å; D276-K278 VanDerWaalsContact OD1-C 3.3Å; D276-K278 VanDerWaalsContact OD1-CA 3.28Å; D276-K278 WeakPolarHBondContact OD1-CA 3.3Å; D276-K278 WeakPolarHBondContact OD1-CB 3.15Å; D276-K278 PolarHBondContact OD1-N 3.47Å; D276-G279 PolarHBondContact O-N 3.34Å; D276-G279 PolarHBondContact OD1-N 3.03Å; D276-Q280 PolarHBondContact N-O 3.1Å; D276-Q280 WeakPolarHBondContact OD1-CB 3.38Å; D276-Q280 PolarHBondContact OD1-N 3.2Å; D276-Q280 PolarHBondContact OD2-NE2 3.28Å; D276-Y282 HydrophobicContact CB-CE1 4.46Å; D276-N294 HydrophobicContact CB-CB 3.77Å; D276-N294 VanDerWaalsContact OD2-CB 3.3Å; D276-N294 WeakPolarHBondContact OD2-CB 3.3Å; D276-N294 PolarHBondContact OD2-ND2 2.85Å; D276-G295 WeakPolarHBondContact CA-O 3.28Å
277I94.3Very high96.4Very high5 Ų551.3 Ų51.33%0.02630%0.303CS..THydrogen-bonded Turntrans-65.3-11.3-178.863108.1000114.1F250 T251 N294 V311 Q316F250-I277 WeakPolarHBondContact O-CG2 3.46Å; T251-I277 HydrophobicContact CG2-CG2 4.29Å; I277-N294 HydrophobicContact CG1-CB 4.36Å; I277-N294 WeakPolarHBondContact CG1-O 3.37Å; I277-N294 WeakPolarHBondContact CG2-O 3.49Å; I277-N294 PolarHBondContact N-O 3.31Å; I277-V311 HydrophobicContact CB-CG1 4.48Å; I277-Q316 HydrophobicContact CD1-CB 4.5Å; I277-Q316 HydrophobicContact CD1-CG 3.61Å
278K91.7Very high96.3Very high112 Ų11252.9 Ų52.949%0.48731%0.312SS..THydrogen-bonded Turntrans-94.51.5174.4-59.1176.2178.1163.60112D276 N294D276-K278 PolarHBondContact O-N 2.65Å; D276-K278 VanDerWaalsContact OD1-C 3.3Å; D276-K278 VanDerWaalsContact OD1-CA 3.28Å; D276-K278 WeakPolarHBondContact OD1-CA 3.3Å; D276-K278 WeakPolarHBondContact OD1-CB 3.15Å; D276-K278 PolarHBondContact OD1-N 3.47Å; K278-N294 PolarHBondContact NZ-OD1 3.49Å
279G92.7Very high96.1Very high42 Ų4253 Ų5343%0.43332%0.318SS..SBendtrans81.712.7-179.200000114.5D276D276-G279 PolarHBondContact O-N 3.34Å; D276-G279 PolarHBondContact OD1-N 3.03Å
280Q94.4Very high96Very high106 Ų10654.7 Ų54.750%0.49533%0.328SS..PPolyproline II helixtrans-86.8139.5178-60.4174.997.900111T275 D276T275-Q280 WeakPolarHBondContact CA-O 3.44Å; T275-Q280 WeakPolarHBondContact CB-O 3.4Å; D276-Q280 PolarHBondContact N-O 3.1Å; D276-Q280 WeakPolarHBondContact OD1-CB 3.38Å; D276-Q280 PolarHBondContact OD1-N 3.2Å; D276-Q280 PolarHBondContact OD2-NE2 3.28Å
281N96.5Very high95.9Very high121 Ų12158.2 Ų58.265%0.64734%0.344SS*.PPolyproline II helixtrans-71.4146.9173.7-63.9-28000110.8T275T275-N281 WeakPolarHBondContact CG2-OD1 3.5Å
282Y97.4Very high95.8Very high24 Ų2455.4 Ų55.49%0.09432%0.315CS..PPolyproline II helixtrans-75.3155169.9-70.6-69.5000111.8T260 L274 D276 Y284 N292 G295T260-Y282 HydrophobicContact CG2-CE2 4.18Å; L274-Y282 HydrophobicContact CD2-CD2 3.68Å; L274-Y282 HydrophobicContact CD2-CE2 3.6Å; D276-Y282 HydrophobicContact CB-CE1 4.46Å; Y282-Y284 VanDerWaalsContact CB-CE2 3.46Å; Y282-Y284 VanDerWaalsContact CB-CZ 3.48Å; Y282-Y284 WeakPolarHBondContact CB-OH 3.33Å; Y282-N292 HydrophobicContact CE1-CB 3.72Å; Y282-N292 VanDerWaalsContact CE1-CG 3.43Å; Y282-N292 WeakPolarHBondContact CE1-OD1 3.35Å; Y282-N292 WeakPolarHBondContact OH-CB 3.39Å; Y282-G295 PolarHBondContact OH-O 3.08Å
283V97.7Very high95.6Very high83 Ų8357.5 Ų57.550%0.50333%0.331SS..  trans-117.2134.9170.5-173.70000108.1K257 A285 V288K257-V283 WeakPolarHBondContact CD-O 3.45Å; K257-V283 WeakPolarHBondContact CE-O 3.46Å; V283-A285 HydrophobicContact CG1-CB 4.34Å; V283-V288 HydrophobicContact CB-CG1 4.1Å; V283-V288 HydrophobicContact CG1-CG1 3.78Å; V283-V288 WeakPolarHBondContact O-CG2 3.42Å
284Y98.5Very high95.4Very high0 Ų057.7 Ų57.70%033%0.329CS..  trans-120.827.7-171.6-62.7-84.5000112.8W121 A151 G154 P156 K257 T260 C261 E264 Y282W121-Y284 PolarHBondContact NE1-O 2.83Å; A151-Y284 VanDerWaalsContact CB-CB 3.43Å; A151-Y284 HydrophobicContact CB-CG 4.4Å; G154-Y284 PolarHBondContact O-N 3.01Å; P156-Y284 HydrophobicContact CB-CD2 4.37Å; P156-Y284 HydrophobicContact CB-CE2 4.36Å; P156-Y284 HydrophobicContact CG-CD2 4.07Å; P156-Y284 HydrophobicContact CG-CE2 3.83Å; K257-Y284 HydrophobicContact CB-CD1 3.89Å; K257-Y284 HydrophobicContact CB-CE1 4.03Å; K257-Y284 HydrophobicContact CD-CD1 3.92Å; K257-Y284 HydrophobicContact CD-CE1 3.87Å; K257-Y284 HydrophobicContact CG-CD1 4.27Å; K257-Y284 HydrophobicContact CG-CE1 4.48Å; K257-Y284 WeakPolarHBondContact O-CE1 3.34Å; T260-Y284 VanDerWaalsContact CB-OH 3.24Å; T260-Y284 WeakPolarHBondContact CB-OH 3.25Å; T260-Y284 WeakPolarHBondContact OG1-CE1 3.48Å; T260-Y284 PolarHBondContact OG1-OH 2.87Å; C261-Y284 VanDerWaalsContact CA-CE1 3.43Å; C261-Y284 HydrophobicContact CB-CD1 3.56Å; C261-Y284 HydrophobicContact CB-CE1 3.43Å; C261-Y284 VanDerWaalsContact CB-CE1 3.43Å; C261-Y284 HydrophobicContact CB-CG 4.37Å; E264-Y284 WeakPolarHBondContact OE2-CE2 3.47Å; E264-Y284 VanDerWaalsContact OE2-CZ 3.26Å; E264-Y284 PolarHBondContact OE2-OH 3.29Å; Y282-Y284 VanDerWaalsContact CB-CE2 3.46Å; Y282-Y284 VanDerWaalsContact CB-CZ 3.48Å; Y282-Y284 WeakPolarHBondContact CB-OH 3.33Å
285A97Very high95.3Very high26 Ų2657.4 Ų57.422%0.21533%0.327CS..  trans-72.9156.7176.300000110.4V283 S287 V288V283-A285 HydrophobicContact CG1-CB 4.34Å; A285-S287 PolarHBondContact O-N 2.92Å; A285-V288 HydrophobicContact CB-CG1 3.91Å; A285-V288 WeakPolarHBondContact O-CG1 3.14Å; A285-V288 WeakPolarHBondContact O-CG2 3.37Å; A285-V288 PolarHBondContact O-N 2.66Å; A285-V288 VanDerWaalsContact O-N 3.13Å
286N93.8Very high95.3Very high102 Ų10256.7 Ų56.755%0.54532%0.322SS..THydrogen-bonded Turntrans-57.7-28.1-174.9-169.122.3000113.5I76 V119I76-N286 WeakPolarHBondContact CD1-OD1 3.4Å; V119-N286 HydrophobicContact CG2-CB 3.96Å
287S93.6Very high95.4Very high118 Ų11856.3 Ų56.383%0.82532%0.321SS*.THydrogen-bonded Turntrans-94.24.7-176.6570000115.1A285A285-S287 PolarHBondContact O-N 2.92Å
288V94.8Very high95.6Very high33 Ų3356.1 Ų56.120%0.232%0.319CS..SBendtrans-76.1154.9-176.9-57.50000111.9W121 K257 V283 A285 L290W121-V288 HydrophobicContact CH2-CG2 3.84Å; W121-V288 HydrophobicContact CZ2-CG2 3.78Å; K257-V288 HydrophobicContact CD-CG2 4.49Å; K257-V288 HydrophobicContact CG-CG2 4.11Å; V283-V288 HydrophobicContact CB-CG1 4.1Å; V283-V288 HydrophobicContact CG1-CG1 3.78Å; V283-V288 WeakPolarHBondContact O-CG2 3.42Å; A285-V288 HydrophobicContact CB-CG1 3.91Å; A285-V288 WeakPolarHBondContact O-CG1 3.14Å; A285-V288 WeakPolarHBondContact O-CG2 3.37Å; A285-V288 PolarHBondContact O-N 2.66Å; A285-V288 VanDerWaalsContact O-N 3.13Å; V288-L290 PolarHBondContact O-N 3.17Å
289Q94.6Very high95.9Very high138 Ų13851.1 Ų51.165%0.64530%0.298SS*.  trans-61137.716766.3174.70.700110.9K257K257-Q289 VanDerWaalsContact CE-O 3.32Å; K257-Q289 WeakPolarHBondContact CE-O 3.16Å; K257-Q289 PolarHBondContact NZ-O 2.69Å
290L96.3Very high96.2Very high74 Ų7449.2 Ų49.239%0.38728%0.278SS..SBendtrans-68.1-42.4-176.8-53.5179.7000111.5I76 W121 K256 K257 W258 V288I76-L290 HydrophobicContact CG2-CD2 4.14Å; W121-L290 HydrophobicContact CH2-CD2 3.88Å; W121-L290 HydrophobicContact CZ3-CD2 3.69Å; K256-L290 CarbonylContact C-O 3.52Å; K256-L290 WeakPolarHBondContact CA-O 3.19Å; K256-L290 WeakPolarHBondContact CB-O 3.39Å; K257-L290 WeakPolarHBondContact CG-O 3.32Å; K257-L290 PolarHBondContact N-O 3.28Å; K257-L290 PolarHBondContact NZ-O 2.86Å; W258-L290 HydrophobicContact CH2-CD1 4.24Å; W258-L290 HydrophobicContact CZ3-CD1 4.17Å; W258-L290 HydrophobicContact CZ3-CD2 4.31Å; V288-L290 PolarHBondContact O-N 3.17Å
291N96.3Very high96.3Very high90 Ų9044.8 Ų44.848%0.48126%0.259SS..BIsolated β-bridgetrans-68.8140.5-172.3-65.4-23000113.5K257 A293K257-N291 PolarHBondContact NZ-O 3.49Å; N291-A293 PolarHBondContact O-N 3.1Å
292N96.2Very high96.1Very high1 Ų142.3 Ų42.31%0.00526%0.261CS..  trans-9386.3168-64.8-20.8000108.7T255 K256 K257 T260 Y282 N294T255-N292 WeakPolarHBondContact O-CB 3.48Å; T255-N292 PolarHBondContact O-N 3.11Å; T255-N292 WeakPolarHBondContact OG1-CB 3.34Å; T255-N292 PolarHBondContact OG1-ND2 2.96Å; K256-N292 VanDerWaalsContact C-ND2 3.29Å; K256-N292 PolarHBondContact O-ND2 3.18Å; K257-N292 PolarHBondContact NZ-OD1 3.36Å; T260-N292 WeakPolarHBondContact CG2-ND2 3.37Å; Y282-N292 HydrophobicContact CE1-CB 3.72Å; Y282-N292 VanDerWaalsContact CE1-CG 3.43Å; Y282-N292 WeakPolarHBondContact CE1-OD1 3.35Å; Y282-N292 WeakPolarHBondContact OH-CB 3.39Å; N292-N294 VanDerWaalsContact C-N 3.29Å; N292-N294 PolarHBondContact O-N 3.48Å
293A93Very high96Very high57 Ų5741.7 Ų41.747%0.47126%0.261SS..THydrogen-bonded Turntrans-67.3-27.2-169.800000114.4G252 N291G252-A293 CarbonylContact C-O 3.52Å; N291-A293 PolarHBondContact O-N 3.1Å
294N93.9Very high95.8Very high49 Ų4942.8 Ų42.826%0.26226%0.264SS..THydrogen-bonded Turntrans-106.427.6-175.2-62.6-44.7000112.2D276 I277 K278 N292D276-N294 HydrophobicContact CB-CB 3.77Å; D276-N294 VanDerWaalsContact OD2-CB 3.3Å; D276-N294 WeakPolarHBondContact OD2-CB 3.3Å; D276-N294 PolarHBondContact OD2-ND2 2.85Å; I277-N294 HydrophobicContact CG1-CB 4.36Å; I277-N294 WeakPolarHBondContact CG1-O 3.37Å; I277-N294 WeakPolarHBondContact CG2-O 3.49Å; I277-N294 PolarHBondContact N-O 3.31Å; K278-N294 PolarHBondContact NZ-OD1 3.49Å; N292-N294 VanDerWaalsContact C-N 3.29Å; N292-N294 PolarHBondContact O-N 3.48Å
295G95.4Very high95.5Very high0 Ų047 Ų470%029%0.292CS..  trans62-176.6174.500000114.8F250 G252 D276 Y282F250-G295 CarbonylContact O-C 3.47Å; F250-G295 VanDerWaalsContact O-C 3.28Å; F250-G295 WeakPolarHBondContact O-CA 3.27Å; G252-G295 WeakPolarHBondContact O-CA 3.21Å; G252-G295 PolarHBondContact O-N 3.39Å; D276-G295 WeakPolarHBondContact CA-O 3.28Å; Y282-G295 PolarHBondContact OH-O 3.08Å
296I97.5Very high95.3Very high0 Ų050.1 Ų50.10%030%0.302CS..EExtended strand (participates in β ladder)trans-115.5133.5-176.7-61.8164.6000109.8Y248 I249 F250 T255 T260 L274 A298Y248-I296 HydrophobicContact CD1-CG2 3.83Å; Y248-I296 HydrophobicContact CE1-CB 4.18Å; Y248-I296 HydrophobicContact CE1-CD1 3.93Å; Y248-I296 HydrophobicContact CE1-CG2 3.68Å; Y248-I296 HydrophobicContact CG-CG2 4.5Å; I249-I296 CarbonylContact C-O 3.51Å; I249-I296 WeakPolarHBondContact CA-O 3.46Å; F250-I296 HydrophobicContact CB-CB 4.34Å; F250-I296 PolarHBondContact N-O 2.97Å; F250-I296 PolarHBondContact O-N 2.82Å; T255-I296 HydrophobicContact CG2-CD1 3.71Å; T255-I296 WeakPolarHBondContact OG1-CD1 3.49Å; T260-I296 HydrophobicContact CG2-CD1 3.48Å; T260-I296 VanDerWaalsContact CG2-CD1 3.48Å; T260-I296 HydrophobicContact CG2-CG1 3.77Å; L274-I296 HydrophobicContact CD1-CG2 4.26Å; L274-I296 HydrophobicContact CD2-CG2 4.32Å; L274-I296 HydrophobicContact CG-CG2 4.06Å; I296-A298 HydrophobicContact CG2-CB 4.32Å
297L97.6Very high95.2Very high2 Ų245.6 Ų45.61%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-123113.3162.1170.864.1000108Y248 I249 L274 T275 L299 V311Y248-L297 WeakPolarHBondContact O-CA 3.25Å; I249-L297 HydrophobicContact CD1-CD1 4.42Å; I249-L297 HydrophobicContact CG1-CD1 3.98Å; L274-L297 WeakPolarHBondContact CA-O 3.28Å; T275-L297 PolarHBondContact N-O 3.41Å; T275-L297 PolarHBondContact O-N 2.92Å; T275-L297 PolarHBondContact OG1-O 2.95Å; L297-L299 HydrophobicContact CD1-CD2 4.22Å; L297-V311 HydrophobicContact CD1-CB 4.39Å; L297-V311 HydrophobicContact CD1-CG1 4.37Å; L297-V311 HydrophobicContact CD1-CG2 4.03Å; L297-V311 HydrophobicContact CD2-CB 4.11Å; L297-V311 HydrophobicContact CD2-CG1 4.19Å
298A98.5Very high95.2Very high0 Ų041.8 Ų41.80%025%0.251CS..EExtended strand (participates in β ladder)trans-123.3141.417500000110.6L240 A247 Y248 L267 S273 L274 I296L240-A298 HydrophobicContact CD1-CB 3.73Å; A247-A298 CarbonylContact C-O 3.53Å; A247-A298 WeakPolarHBondContact CA-O 3.32Å; Y248-A298 HydrophobicContact CD1-CB 4.3Å; Y248-A298 PolarHBondContact N-O 2.87Å; Y248-A298 PolarHBondContact O-N 3.44Å; L267-A298 HydrophobicContact CD1-CB 3.73Å; S273-A298 CarbonylContact O-C 3.44Å; S273-A298 WeakPolarHBondContact O-CA 3.27Å; S273-A298 WeakPolarHBondContact O-CB 3.23Å; L274-A298 HydrophobicContact CB-CB 3.96Å; L274-A298 HydrophobicContact CD1-CB 4.08Å; L274-A298 HydrophobicContact CG-CB 3.84Å; I296-A298 HydrophobicContact CG2-CB 4.32Å
299L98.3Very high95Very high8 Ų845.5 Ų45.54%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-116.8137.6-179.6-60.7-174.2000110.1H246 A247 G272 S273 L297 A303 L307H246-L299 WeakPolarHBondContact O-CA 3.38Å; A247-L299 HydrophobicContact CB-CD2 3.76Å; G272-L299 VanDerWaalsContact CA-O 3.25Å; G272-L299 WeakPolarHBondContact CA-O 3.37Å; S273-L299 PolarHBondContact N-O 2.97Å; S273-L299 VanDerWaalsContact N-O 3.08Å; S273-L299 PolarHBondContact O-N 3.34Å; L297-L299 HydrophobicContact CD1-CD2 4.22Å; L299-A303 HydrophobicContact CB-CB 4.2Å; L299-L307 HydrophobicContact CD2-CB 4.27Å; L299-L307 HydrophobicContact CD2-CD2 3.89Å; L299-L307 HydrophobicContact CD2-CG 4.16Å
300A98.5Very high94.9Very high2 Ų244.5 Ų44.52%0.01726%0.255CS..  trans-67.1156.6174.900000112.1P197 L240 A245 H246 G302 A303P197-A300 HydrophobicContact CG-CB 4.14Å; L240-A300 HydrophobicContact CB-CB 3.94Å; L240-A300 HydrophobicContact CD2-CB 4.17Å; L240-A300 WeakPolarHBondContact O-CB 3.42Å; A245-A300 VanDerWaalsContact O-CB 3.28Å; A245-A300 WeakPolarHBondContact O-CB 3.26Å; H246-A300 PolarHBondContact O-N 3.38Å; A300-G302 PolarHBondContact O-N 3.42Å; A300-A303 HydrophobicContact CB-CB 4.38Å; A300-A303 VanDerWaalsContact O-CB 3.24Å; A300-A303 WeakPolarHBondContact O-CB 3.43Å; A300-A303 PolarHBondContact O-N 3.43Å
301P96.5Very high94.7Very high13 Ų1341 Ų418%0.08424%0.236CC..THydrogen-bonded Turntrans-47.9125.4165.2-29.638.7000111.9P197 A270 A303P197-P301 VanDerWaalsContact CD-O 3.27Å; P197-P301 WeakPolarHBondContact CD-O 3.25Å; A270-P301 HydrophobicContact CB-CG 3.46Å; A270-P301 VanDerWaalsContact CB-CG 3.46Å; A270-P301 VanDerWaalsContact O-CB 3.23Å; A270-P301 WeakPolarHBondContact O-CB 3.16Å; A270-P301 VanDerWaalsContact O-CG 3.28Å; A270-P301 WeakPolarHBondContact O-CG 3.24Å; P301-A303 VanDerWaalsContact C-N 3.27Å; P301-A303 PolarHBondContact O-N 3.41Å
302G93.7Very high94.3Very high68 Ų6838.6 Ų38.670%0.70123%0.229SC*.THydrogen-bonded Turntrans76.91.4179.900000115.7A300A300-G302 PolarHBondContact O-N 3.42Å
303A95Very high93.8Very high11 Ų1145 Ų459%0.09126%0.264CS..  trans-65.7147170.900000111.1H246 L299 A300 P301 P305H246-A303 HydrophobicContact CB-CB 4.45Å; L299-A303 HydrophobicContact CB-CB 4.2Å; A300-A303 HydrophobicContact CB-CB 4.38Å; A300-A303 VanDerWaalsContact O-CB 3.24Å; A300-A303 WeakPolarHBondContact O-CB 3.43Å; A300-A303 PolarHBondContact O-N 3.43Å; P301-A303 VanDerWaalsContact C-N 3.27Å; P301-A303 PolarHBondContact O-N 3.41Å; A303-P305 VanDerWaalsContact O-CD 3.25Å; A303-P305 WeakPolarHBondContact O-CD 3.28Å
304N93.3Very high93.5Very high106 Ų10643.3 Ų43.357%0.56725%0.246SC*.  trans-63.6118.3-179.4-176.3-17.2000110.9E306 L307N304-E306 PolarHBondContact O-N 3.06Å; N304-E306 VanDerWaalsContact O-N 3.1Å; N304-E306 WeakPolarHBondContact OD1-CB 3.39Å; N304-E306 PolarHBondContact OD1-N 3.38Å; N304-L307 VanDerWaalsContact O-CB 3.28Å; N304-L307 WeakPolarHBondContact O-CB 3.5Å; N304-L307 PolarHBondContact O-N 3.01Å
305P91.9Very high92.3Very high90 Ų9045.2 Ų45.258%0.58426%0.256SS*.THydrogen-bonded Turntrans-59-25.3-179.4-25.435.3000114.1A303 L307 S308A303-P305 VanDerWaalsContact O-CD 3.25Å; A303-P305 WeakPolarHBondContact O-CD 3.28Å; P305-L307 PolarHBondContact O-N 3.25Å; P305-S308 WeakPolarHBondContact O-CB 3.39Å; P305-S308 PolarHBondContact O-N 3.46Å; P305-S308 VanDerWaalsContact O-N 3.08Å; P305-S308 PolarHBondContact O-OG 3.34Å
306E92.7Very high90.9Very high90 Ų9047.5 Ų47.542%0.42127%0.267SS..Hα-helixtrans-64.2-18.4176.5-70.7-59.3163.100113.4N304 S308 K309 R310N304-E306 PolarHBondContact O-N 3.06Å; N304-E306 VanDerWaalsContact O-N 3.1Å; N304-E306 WeakPolarHBondContact OD1-CB 3.39Å; N304-E306 PolarHBondContact OD1-N 3.38Å; E306-S308 PolarHBondContact O-N 3.29Å; E306-K309 VanDerWaalsContact CD-NZ 3.34Å; E306-K309 PolarHBondContact O-N 3.47Å; E306-K309 IonicContact OE1-NZ 2.91Å; E306-K309 PolarHBondContact OE1-NZ 3.18Å; E306-K309 WeakPolarHBondContact OE2-CD 3.06Å; E306-K309 WeakPolarHBondContact OE2-CE 3.46Å; E306-K309 IonicContact OE2-NZ 2.68Å; E306-K309 PolarHBondContact OE2-NZ 3.25Å; E306-R310 WeakPolarHBondContact O-CG 3.42Å; E306-R310 PolarHBondContact O-N 2.98Å
307L92.7Very high89Confident8 Ų854.2 Ų54.24%0.04231%0.314CS..Hα-helixtrans-58.7-35.3172.3-174.455.4000111.3L202 L222 A247 L299 N304 P305 R310 V311L202-L307 HydrophobicContact CD1-CD2 3.8Å; L202-L307 HydrophobicContact CD2-CD1 4.39Å; L222-L307 HydrophobicContact CD2-CD1 3.93Å; A247-L307 HydrophobicContact CB-CD2 3.62Å; L299-L307 HydrophobicContact CD2-CB 4.27Å; L299-L307 HydrophobicContact CD2-CD2 3.89Å; L299-L307 HydrophobicContact CD2-CG 4.16Å; N304-L307 VanDerWaalsContact O-CB 3.28Å; N304-L307 WeakPolarHBondContact O-CB 3.5Å; N304-L307 PolarHBondContact O-N 3.01Å; P305-L307 PolarHBondContact O-N 3.25Å; L307-R310 PolarHBondContact O-N 3.01Å; L307-V311 WeakPolarHBondContact O-CG2 3.48Å; L307-V311 PolarHBondContact O-N 3.2Å
308S91.5Very high88.6Confident37 Ų3756.8 Ų56.826%0.25933%0.329SS..Hα-helixtrans-63.5-43.7176.666.10000112.8P305 E306 R310 V311 A312P305-S308 WeakPolarHBondContact O-CB 3.39Å; P305-S308 PolarHBondContact O-N 3.46Å; P305-S308 VanDerWaalsContact O-N 3.08Å; P305-S308 PolarHBondContact O-OG 3.34Å; E306-S308 PolarHBondContact O-N 3.29Å; S308-R310 VanDerWaalsContact C-N 3.34Å; S308-R310 PolarHBondContact O-N 3.08Å; S308-V311 PolarHBondContact O-N 3Å; S308-A312 WeakPolarHBondContact O-CB 3.33Å; S308-A312 PolarHBondContact O-N 2.68Å
309K90.8Very high88.1Confident111 Ų11159.8 Ų59.848%0.48335%0.346SS..Hα-helixtrans-66.5-38.3177.2-56.7-164.3-157.2146.60111.6E306 V311 A312 N313E306-K309 VanDerWaalsContact CD-NZ 3.34Å; E306-K309 PolarHBondContact O-N 3.47Å; E306-K309 IonicContact OE1-NZ 2.91Å; E306-K309 PolarHBondContact OE1-NZ 3.18Å; E306-K309 WeakPolarHBondContact OE2-CD 3.06Å; E306-K309 WeakPolarHBondContact OE2-CE 3.46Å; E306-K309 IonicContact OE2-NZ 2.68Å; E306-K309 PolarHBondContact OE2-NZ 3.25Å; K309-V311 VanDerWaalsContact C-N 3.33Å; K309-V311 PolarHBondContact O-N 3.1Å; K309-A312 PolarHBondContact O-N 2.76Å; K309-N313 WeakPolarHBondContact O-CB 3.45Å; K309-N313 PolarHBondContact O-N 2.96Å; K309-N313 PolarHBondContact O-ND2 3.21Å
310R92.6Very high87.5Confident117 Ų11762.7 Ų62.744%0.44236%0.363SS..Hα-helixtrans-59.8-43.4174.5-71.1172.362.1-158.6-2.7111.5L222 E306 L307 S308 I314L222-R310 HydrophobicContact CD2-CB 4.04Å; L222-R310 PolarHBondContact O-NH2 3.49Å; E306-R310 WeakPolarHBondContact O-CG 3.42Å; E306-R310 PolarHBondContact O-N 2.98Å; L307-R310 PolarHBondContact O-N 3.01Å; S308-R310 VanDerWaalsContact C-N 3.34Å; S308-R310 PolarHBondContact O-N 3.08Å; R310-I314 WeakPolarHBondContact O-CG1 3.3Å; R310-I314 PolarHBondContact O-N 3Å
311V92.5Very high86.9Confident0 Ų066.2 Ų66.20%038%0.384CS..Hα-helixtrans-65.6-48.8176.8175.30000111.2T218 L222 I249 I277 L297 L307 S308 K309 N313 I314 Q316T218-V311 HydrophobicContact CG2-CG1 4.43Å; L222-V311 HydrophobicContact CD1-CG2 3.8Å; L222-V311 HydrophobicContact CD2-CG2 3.97Å; L222-V311 HydrophobicContact CG-CG2 4.42Å; I249-V311 HydrophobicContact CD1-CG2 3.78Å; I277-V311 HydrophobicContact CB-CG1 4.48Å; L297-V311 HydrophobicContact CD1-CB 4.39Å; L297-V311 HydrophobicContact CD1-CG1 4.37Å; L297-V311 HydrophobicContact CD1-CG2 4.03Å; L297-V311 HydrophobicContact CD2-CB 4.11Å; L297-V311 HydrophobicContact CD2-CG1 4.19Å; L307-V311 WeakPolarHBondContact O-CG2 3.48Å; L307-V311 PolarHBondContact O-N 3.2Å; S308-V311 PolarHBondContact O-N 3Å; K309-V311 VanDerWaalsContact C-N 3.33Å; K309-V311 PolarHBondContact O-N 3.1Å; V311-N313 PolarHBondContact O-N 2.94Å; V311-I314 WeakPolarHBondContact O-CB 3.42Å; V311-I314 PolarHBondContact O-N 3.22Å; V311-I314 VanDerWaalsContact O-N 3.1Å; V311-Q316 PolarHBondContact O-NE2 3.01Å
312A87.8Confident86.3Confident40 Ų4069.6 Ų69.633%0.33140%0.402SS..Hα-helixtrans-62.1-29-178.900000113.4S308 K309S308-A312 WeakPolarHBondContact O-CB 3.33Å; S308-A312 PolarHBondContact O-N 2.68Å; K309-A312 PolarHBondContact O-N 2.76Å
313N86.9Confident85.8Confident137 Ų13769.7 Ų69.773%0.73338%0.382SS*.THydrogen-bonded Turntrans-83.9-9.3178.3-71.9-22.4000114.3K309 V311 D315K309-N313 WeakPolarHBondContact O-CB 3.45Å; K309-N313 PolarHBondContact O-N 2.96Å; K309-N313 PolarHBondContact O-ND2 3.21Å; V311-N313 PolarHBondContact O-N 2.94Å; N313-D315 PolarHBondContact O-N 3.25Å
314I85.9Confident85.1Confident21 Ų2173.9 Ų73.911%0.10840%0.403CS..SBendtrans-70.4124.8172.5-68.9160.6000107T218 A221 L222 R310 V311 Q316T218-I314 HydrophobicContact CG2-CD1 3.93Å; A221-I314 HydrophobicContact CB-CD1 3.74Å; A221-I314 HydrophobicContact CB-CG1 3.84Å; A221-I314 HydrophobicContact CB-CG2 4.32Å; L222-I314 HydrophobicContact CD2-CD1 3.91Å; L222-I314 HydrophobicContact CG-CD1 3.79Å; R310-I314 WeakPolarHBondContact O-CG1 3.3Å; R310-I314 PolarHBondContact O-N 3Å; V311-I314 WeakPolarHBondContact O-CB 3.42Å; V311-I314 PolarHBondContact O-N 3.22Å; V311-I314 VanDerWaalsContact O-N 3.1Å; I314-Q316 VanDerWaalsContact O-CD 3.3Å; I314-Q316 VanDerWaalsContact O-CG 3.26Å; I314-Q316 WeakPolarHBondContact O-CG 3.34Å; I314-Q316 PolarHBondContact O-N 2.95Å; I314-Q316 PolarHBondContact O-NE2 2.73Å
315D68.9Low84.5Confident88 Ų8871.4 Ų71.447%0.47139%0.391SS..  trans-51.8111.6179.2171.528.4000110.8K217 N313 S317K217-D315 WeakPolarHBondContact CE-O 3.38Å; K217-D315 PolarHBondContact NZ-O 2.84Å; K217-D315 IonicContact NZ-OD2 3.11Å; K217-D315 PolarHBondContact NZ-OD2 3.49Å; N313-D315 PolarHBondContact O-N 3.25Å; D315-S317 VanDerWaalsContact C-N 3.25Å; D315-S317 VanDerWaalsContact CG-OG 3.28Å; D315-S317 WeakPolarHBondContact OD1-CB 3.48Å; D315-S317 PolarHBondContact OD1-N 2.82Å; D315-S317 PolarHBondContact OD1-OG 2.9Å; D315-S317 PolarHBondContact OD2-OG 2.71Å
316Q66.2Low83.9Confident49 Ų4969.8 Ų69.823%0.22938%0.375CS..  trans-86.84.9-177.9-56.3-60.4-3300112.6I277 V311 I314I277-Q316 HydrophobicContact CD1-CB 4.5Å; I277-Q316 HydrophobicContact CD1-CG 3.61Å; V311-Q316 PolarHBondContact O-NE2 3.01Å; I314-Q316 VanDerWaalsContact O-CD 3.3Å; I314-Q316 VanDerWaalsContact O-CG 3.26Å; I314-Q316 WeakPolarHBondContact O-CG 3.34Å; I314-Q316 PolarHBondContact O-N 2.95Å; I314-Q316 PolarHBondContact O-NE2 2.73Å
317S58.2Low83.1Confident140 Ų14068 Ų6898%0.97937%0.37SS*.  trans-89.80172.270.10000113.8K217 D315K217-S317 PolarHBondContact NZ-O 3.29Å; D315-S317 VanDerWaalsContact C-N 3.25Å; D315-S317 VanDerWaalsContact CG-OG 3.28Å; D315-S317 WeakPolarHBondContact OD1-CB 3.48Å; D315-S317 PolarHBondContact OD1-N 2.82Å; D315-S317 PolarHBondContact OD1-OG 2.9Å; D315-S317 PolarHBondContact OD2-OG 2.71Å

Retrieved 317 of 317 residues in 326.1 ms (Link to these results)

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