A0A087WV01_HUMAN Loading...

Elongation factor 1-alpha

This protein promotes the GTP-dependent binding of aminoacyl-tRNA to the A-site of ribosomes during protein biosynthesis.

AlphaFold DB , UniProt , Accession A0A087WV01, Species HUMAN (Homo sapiens, Human), Gene EEF1A1, Length 426 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
1M37.4Very low73.2Confident241 Ų24182.6 Ų82.6100%1.18744%0.435SS*.  0111.80-76.1164.471.800107
2G47.3Very low74.6Confident79 Ų7976.3 Ų76.381%0.81440%0.401SS*.  trans-61.6139175.900000109.3E4G2-E4 PolarHBondContact O-N 2.78Å
3K50.8Low75.9Confident202 Ų20270.5 Ų70.588%0.87837%0.371SS*.  trans-56.2126.4175.5-77.7-178.8175.1-179.40108.6K5K3-K5 PolarHBondContact O-N 3.11Å; K3-K5 VanDerWaalsContact O-N 3.16Å
4E74.5Confident76.9Confident188 Ų18865.4 Ų65.488%0.87934%0.344SS*.  trans-58.9114.8174.6-162.4170.2-16100108.4G2G2-E4 PolarHBondContact O-N 2.78Å
5K81.1Confident77.6Confident57 Ų5764 Ų6425%0.24834%0.335CS..PPolyproline II helixtrans-79.3142.7-177.1-63.2176.9-176.8175.60109.2K3 E81 T82 K84 Y86K3-K5 PolarHBondContact O-N 3.11Å; K3-K5 VanDerWaalsContact O-N 3.16Å; K5-E81 IonicContact NZ-OE2 3.53Å; K5-E81 PolarHBondContact NZ-OE2 3.39Å; K5-T82 WeakPolarHBondContact CE-O 3.46Å; K5-T82 PolarHBondContact NZ-O 3.23Å; K5-K84 WeakPolarHBondContact CB-O 3.28Å; K5-Y86 HydrophobicContact CB-CD2 3.59Å; K5-Y86 HydrophobicContact CB-CE2 3.67Å; K5-Y86 HydrophobicContact CB-CG 4.34Å; K5-Y86 HydrophobicContact CD-CE2 4.35Å; K5-Y86 HydrophobicContact CG-CE2 4.3Å; K5-Y86 WeakPolarHBondContact O-CD2 3.35Å
6T82.8Confident77.8Confident66 Ų6662.1 Ų62.141%0.40533%0.327SS..EExtended strand (participates in β ladder)trans-72.2140.4177.2-51.40000110.2Y85 Y86 P237T6-Y85 HydrophobicContact CG2-CE1 4.45Å; T6-Y85 CarbonylContact O-C 3.59Å; T6-Y85 VanDerWaalsContact O-CA 3.27Å; T6-Y85 WeakPolarHBondContact O-CA 3.46Å; T6-Y85 WeakPolarHBondContact O-CD1 3.46Å; T6-Y86 PolarHBondContact O-N 3.43Å; T6-P237 HydrophobicContact CG2-CB 4.43Å
7H81.8Confident78.1Confident51 Ų5165.3 Ų65.324%0.23634%0.344CS..EExtended strand (participates in β ladder)trans-82.1135.8174.4-165.3-91.4000110.9N9 Y86 T88 R240H7-N9 PolarHBondContact CE1-OD1 3.14Å; H7-N9 PolarHBondContact ND1-OD1 3.23Å; H7-Y86 CarbonylContact C-O 3.23Å; H7-Y86 WeakPolarHBondContact CA-O 3.38Å; H7-T88 PolarHBondContact CE1-OG1 3.25Å; H7-T88 PolarHBondContact NE2-OG1 3.01Å; H7-R240 PolarHBondContact O-NH2 3.49Å
8I85.2Confident78.7Confident0 Ų061.8 Ų61.80%033%0.326CS..EExtended strand (participates in β ladder)trans-133.7144.317365.8175.9000111.1I10 Y85 Y86 V87 T88 D110 I235I8-I10 HydrophobicContact CD1-CD1 3.98Å; I8-I10 HydrophobicContact CD1-CG1 4.34Å; I8-I10 HydrophobicContact CG1-CD1 4.46Å; I8-I10 HydrophobicContact CG1-CG1 4.41Å; I8-Y85 HydrophobicContact CD1-CD1 4.46Å; I8-Y85 HydrophobicContact CD1-CD2 3.75Å; I8-Y85 HydrophobicContact CD1-CE2 4.4Å; I8-Y85 HydrophobicContact CD1-CG 3.77Å; I8-Y85 HydrophobicContact CG1-CG 4.2Å; I8-Y85 HydrophobicContact CG2-CD1 3.79Å; I8-Y85 HydrophobicContact CG2-CE1 4.09Å; I8-Y85 HydrophobicContact CG2-CG 4.15Å; I8-Y86 PolarHBondContact N-O 2.9Å; I8-V87 HydrophobicContact CD1-CG2 3.9Å; I8-V87 HydrophobicContact CG1-CB 4.32Å; I8-V87 HydrophobicContact CG1-CG1 4.28Å; I8-V87 HydrophobicContact CG1-CG2 3.81Å; I8-V87 WeakPolarHBondContact O-CA 3.43Å; I8-T88 PolarHBondContact O-N 3.05Å; I8-D110 WeakPolarHBondContact CA-OD2 3.43Å; I8-I235 HydrophobicContact CD1-CB 4.29Å; I8-I235 HydrophobicContact CD1-CD1 3.9Å; I8-I235 HydrophobicContact CD1-CG2 4.29Å
9N84.5Confident79.1Confident22 Ų2259.4 Ų59.412%0.11832%0.318CS..EExtended strand (participates in β ladder)trans-104.9128.5176.7-65.5-26000109.9H7 I90 Q108 D110 C111H7-N9 PolarHBondContact CE1-OD1 3.14Å; H7-N9 PolarHBondContact ND1-OD1 3.23Å; N9-I90 HydrophobicContact CB-CD1 4.49Å; N9-Q108 WeakPolarHBondContact CB-O 3.35Å; N9-Q108 PolarHBondContact ND2-O 3.02Å; N9-D110 PolarHBondContact N-OD2 3.16Å; N9-D110 PolarHBondContact O-N 3.18Å; N9-C111 PolarHBondContact O-N 3.37Å
10I89.9Confident79.6Confident3 Ų357.1 Ų57.12%0.01531%0.305CS..EExtended strand (participates in β ladder)trans-124.1127.7-178.4-58.4-173.7000109.4I8 V87 T88 I89 I90 C111 V113 L232 I235I8-I10 HydrophobicContact CD1-CD1 3.98Å; I8-I10 HydrophobicContact CD1-CG1 4.34Å; I8-I10 HydrophobicContact CG1-CD1 4.46Å; I8-I10 HydrophobicContact CG1-CG1 4.41Å; I10-V87 HydrophobicContact CB-CG1 4.31Å; I10-V87 HydrophobicContact CD1-CG1 3.45Å; I10-V87 VanDerWaalsContact CD1-CG1 3.45Å; I10-V87 HydrophobicContact CG1-CG1 3.79Å; I10-T88 PolarHBondContact N-O 3.36Å; I10-I89 CarbonylContact O-C 3.57Å; I10-I89 WeakPolarHBondContact O-CA 3.37Å; I10-I90 PolarHBondContact O-N 2.67Å; I10-C111 WeakPolarHBondContact CA-O 3.46Å; I10-V113 HydrophobicContact CG2-CB 4.39Å; I10-V113 HydrophobicContact CG2-CG2 3.5Å; I10-L232 HydrophobicContact CD1-CD2 3.6Å; I10-L232 HydrophobicContact CD1-CG 4.48Å; I10-I235 HydrophobicContact CD1-CD1 3.43Å; I10-I235 VanDerWaalsContact CD1-CD1 3.43Å; I10-I235 HydrophobicContact CG1-CD1 4.1Å
11V89.4Confident79.9Confident0 Ų055 Ų550%030%0.295CS..EExtended strand (participates in β ladder)trans-100.5131.5171.767.50000110.7I13 I90 A92 T106 A109 C111 A112 V113V11-I13 HydrophobicContact CB-CG2 4.45Å; V11-I13 HydrophobicContact CG1-CG2 4.03Å; V11-I13 HydrophobicContact CG2-CG2 3.79Å; V11-I90 WeakPolarHBondContact CA-O 3.43Å; V11-I90 HydrophobicContact CB-CB 4.34Å; V11-I90 HydrophobicContact CG2-CB 4.31Å; V11-I90 HydrophobicContact CG2-CG2 4.2Å; V11-A92 HydrophobicContact CG2-CB 3.8Å; V11-T106 HydrophobicContact CG1-CG2 4.14Å; V11-A109 HydrophobicContact CB-CB 3.73Å; V11-A109 HydrophobicContact CG1-CB 3.54Å; V11-C111 PolarHBondContact N-O 3.42Å; V11-C111 VanDerWaalsContact N-O 3.08Å; V11-A112 HydrophobicContact CG1-CB 3.91Å; V11-A112 CarbonylContact O-C 3.53Å; V11-A112 WeakPolarHBondContact O-CA 3.15Å; V11-V113 PolarHBondContact O-N 3.48Å
12V90.7Very high82.3Confident6 Ų644.7 Ų44.74%0.03625%0.245CC..EExtended strand (participates in β ladder)trans-99121176.1-176.70000109K20 I89 I90 A92 V113 I115V12-K20 HydrophobicContact CG1-CB 3.99Å; V12-K20 HydrophobicContact CG1-CG 4.18Å; V12-I89 HydrophobicContact CG2-CG2 3.68Å; V12-I90 PolarHBondContact N-O 2.91Å; V12-A92 WeakPolarHBondContact O-CB 3.46Å; V12-A92 PolarHBondContact O-N 3.13Å; V12-V113 WeakPolarHBondContact CA-O 3.35Å; V12-V113 HydrophobicContact CG2-CB 4.34Å; V12-I115 HydrophobicContact CG1-CG1 3.75Å
13I91.4Very high84.4Confident1 Ų141 Ų411%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-130.2155.6-170.365168.4000110.8V11 A92 M102 A112 V113 L114 I115 H136 A140V11-I13 HydrophobicContact CB-CG2 4.45Å; V11-I13 HydrophobicContact CG1-CG2 4.03Å; V11-I13 HydrophobicContact CG2-CG2 3.79Å; I13-A92 HydrophobicContact CG2-CB 4.41Å; I13-M102 HydrophobicContact CB-CE 3.78Å; I13-M102 HydrophobicContact CD1-CE 4.42Å; I13-M102 HydrophobicContact CG2-CE 3.27Å; I13-A112 HydrophobicContact CD1-CB 4.02Å; I13-A112 HydrophobicContact CG1-CB 4.46Å; I13-V113 PolarHBondContact N-O 2.97Å; I13-L114 HydrophobicContact CD1-CB 4.42Å; I13-L114 HydrophobicContact CD1-CD1 3.95Å; I13-L114 HydrophobicContact CG1-CB 4.13Å; I13-L114 HydrophobicContact CG1-CD1 3.75Å; I13-L114 CarbonylContact O-C 3.56Å; I13-L114 WeakPolarHBondContact O-CA 3.33Å; I13-I115 PolarHBondContact O-N 3.03Å; I13-H136 HydrophobicContact CB-CB 4.13Å; I13-H136 HydrophobicContact CD1-CB 4.21Å; I13-A140 HydrophobicContact CD1-CB 4.01Å
14G89.6Confident86.1Confident0 Ų031.5 Ų31.50%017%0.166CC..EExtended strand (participates in β ladder)trans151.1169.6-177.800000113.5K20 H136G14-K20 PolarHBondContact O-NZ 2.83Å; G14-H136 PolarHBondContact N-ND1 3.13Å; G14-H136 PolarHBondContact O-CE1 3.27Å; G14-H136 PolarHBondContact O-ND1 2.95Å
15H87.4Confident86.7Confident44 Ų4422.5 Ų22.520%0.20412%0.124CC..  trans-60.6159.5-178.8-166.845.7000113.1S18 K20 Q132 T133H15-S18 WeakPolarHBondContact O-CB 3.19Å; H15-S18 PolarHBondContact O-N 3.03Å; H15-S18 PolarHBondContact O-OG 3.31Å; H15-K20 PolarHBondContact O-NZ 3.4Å; H15-Q132 PolarHBondContact CE1-OE1 3.42Å; H15-Q132 PolarHBondContact ND1-OE1 3.19Å; H15-T133 WeakPolarHBondContact CB-OG1 3.48Å
16V81.4Confident87Confident33 Ų3320.1 Ų20.120%0.211%0.113CC..THydrogen-bonded Turntrans-52.5143.8162179.80000108.8S18 G94V16-S18 PolarHBondContact O-N 2.96Å; V16-G94 WeakPolarHBondContact CG2-O 3.28Å
17D82.6Confident87.2Confident117 Ų11717.3 Ų17.363%0.62610%0.096SC*.THydrogen-bonded Turntrans63.50.9-177.4-53.3-33000117.5G19 K154D17-G19 PolarHBondContact O-N 2.99Å; D17-K154 WeakPolarHBondContact O-CE 3.48Å; D17-K154 PolarHBondContact O-NZ 3.5Å
18S88.1Confident87.3Confident3 Ų314.9 Ų14.92%0.0219%0.085CC..SBendtrans-64-11.1172.460.10000114.1H15 V16 K20 I115 N153H15-S18 WeakPolarHBondContact O-CB 3.19Å; H15-S18 PolarHBondContact O-N 3.03Å; H15-S18 PolarHBondContact O-OG 3.31Å; V16-S18 PolarHBondContact O-N 2.96Å; S18-K20 WeakPolarHBondContact OG-CG 3.46Å; S18-I115 WeakPolarHBondContact O-CG2 3.21Å; S18-N153 PolarHBondContact O-ND2 3.47Å
19G88.1Confident87.2Confident16 Ų1618.1 Ų18.117%0.16510%0.097CC..  trans82.428.1178.300000114.3D17 T22 T23D17-G19 PolarHBondContact O-N 2.99Å; G19-T22 PolarHBondContact O-N 2.83Å; G19-T23 WeakPolarHBondContact O-CB 3.5Å; G19-T23 PolarHBondContact O-N 3.37Å; G19-T23 PolarHBondContact O-OG1 3.23Å
20K88.6Confident87.1Confident13 Ų1322.9 Ų22.96%0.05712%0.117CC..Hα-helixtrans-49.6-63174.8-64-175.6-62.7-70.20112.2V12 G14 H15 S18 T22 T23 T24 A92 I115V12-K20 HydrophobicContact CG1-CB 3.99Å; V12-K20 HydrophobicContact CG1-CG 4.18Å; G14-K20 PolarHBondContact O-NZ 2.83Å; H15-K20 PolarHBondContact O-NZ 3.4Å; S18-K20 WeakPolarHBondContact OG-CG 3.46Å; K20-T22 VanDerWaalsContact C-N 3.3Å; K20-T22 PolarHBondContact O-N 2.98Å; K20-T23 WeakPolarHBondContact O-CB 3.28Å; K20-T23 PolarHBondContact O-N 3.45Å; K20-T24 WeakPolarHBondContact O-CB 3.4Å; K20-T24 PolarHBondContact O-N 3.05Å; K20-T24 PolarHBondContact O-OG1 3.2Å; K20-T24 VanDerWaalsContact O-OG1 3.07Å; K20-A92 WeakPolarHBondContact CE-O 3.45Å; K20-I115 HydrophobicContact CG-CB 4.09Å; K20-I115 HydrophobicContact CG-CG1 4.25Å
21S85.4Confident86.6Confident13 Ų1324 Ų249%0.09113%0.125CC..Hα-helixtrans-64.3-34.8-174.3-49.30000112.4G25 L60 T72 D91S21-G25 PolarHBondContact O-N 3.15Å; S21-L60 VanDerWaalsContact O-CD1 3.26Å; S21-L60 WeakPolarHBondContact O-CD1 3.04Å; S21-T72 PolarHBondContact OG-OG1 3.21Å; S21-D91 WeakPolarHBondContact CB-OD2 3.21Å; S21-D91 PolarHBondContact OG-OD2 2.88Å
22T88.2Confident85.7Confident24 Ų2426.8 Ų26.815%0.14715%0.153CC..Hα-helixtrans-62.4-47.1171.9-520000111.6G19 K20 H26 Y56 W196G19-T22 PolarHBondContact O-N 2.83Å; K20-T22 VanDerWaalsContact C-N 3.3Å; K20-T22 PolarHBondContact O-N 2.98Å; T22-H26 WeakPolarHBondContact O-CB 3.47Å; T22-H26 PolarHBondContact O-N 3.36Å; T22-Y56 HydrophobicContact CG2-CD2 4.21Å; T22-W196 HydrophobicContact CG2-CE3 3.93Å
23T90.1Very high84.6Confident2 Ų227.9 Ų27.91%0.01217%0.166CC..Hα-helixtrans-63.9-47.4-180-55.80000110.8G19 K20 H26 L27 I115 N153 I193 M201 L228G19-T23 WeakPolarHBondContact O-CB 3.5Å; G19-T23 PolarHBondContact O-N 3.37Å; G19-T23 PolarHBondContact O-OG1 3.23Å; K20-T23 WeakPolarHBondContact O-CB 3.28Å; K20-T23 PolarHBondContact O-N 3.45Å; T23-H26 PolarHBondContact O-N 2.87Å; T23-L27 PolarHBondContact O-N 2.85Å; T23-L27 VanDerWaalsContact O-N 3.08Å; T23-I115 HydrophobicContact CG2-CD1 4.07Å; T23-N153 PolarHBondContact OG1-ND2 3.47Å; T23-I193 HydrophobicContact CG2-CD1 3.74Å; T23-M201 HydrophobicContact CG2-CE 3.43Å; T23-M201 VanDerWaalsContact CG2-CE 3.43Å; T23-M201 HydrophobicContact CG2-SD 3.89Å; T23-M201 VanDerWaalsContact O-CE 3.28Å; T23-M201 WeakPolarHBondContact O-CE 3.44Å; T23-L228 HydrophobicContact CG2-CD2 4.05Å
24T88.4Confident83.7Confident2 Ų228.7 Ų28.71%0.01217%0.17CC..Hα-helixtrans-61.7-48.2177.1-59.60000111.7K20 H26 L27 I28 L60 I89K20-T24 WeakPolarHBondContact O-CB 3.4Å; K20-T24 PolarHBondContact O-N 3.05Å; K20-T24 PolarHBondContact O-OG1 3.2Å; K20-T24 VanDerWaalsContact O-OG1 3.07Å; T24-H26 VanDerWaalsContact C-N 3.31Å; T24-H26 PolarHBondContact O-N 3.4Å; T24-L27 WeakPolarHBondContact O-CB 3.47Å; T24-L27 PolarHBondContact O-N 3.41Å; T24-I28 HydrophobicContact CG2-CD1 3.83Å; T24-I28 WeakPolarHBondContact O-CD1 3.47Å; T24-I28 WeakPolarHBondContact O-CG1 3.22Å; T24-I28 PolarHBondContact O-N 2.92Å; T24-L60 HydrophobicContact CG2-CD1 3.55Å; T24-L60 HydrophobicContact CG2-CD2 4.06Å; T24-L60 HydrophobicContact CG2-CG 4.46Å; T24-I89 HydrophobicContact CG2-CB 4.3Å; T24-I89 HydrophobicContact CG2-CD1 3.83Å; T24-I89 HydrophobicContact CG2-CG2 3.6Å
25G85.9Confident83Confident0 Ų032.9 Ų32.90%019%0.192CC..Hα-helixtrans-62.3-38178.300000112.5S21 I28 Y29 Y56S21-G25 PolarHBondContact O-N 3.15Å; G25-I28 PolarHBondContact O-N 2.88Å; G25-Y29 VanDerWaalsContact O-CB 3.24Å; G25-Y29 WeakPolarHBondContact O-CB 3.24Å; G25-Y29 PolarHBondContact O-N 2.98Å; G25-Y56 WeakPolarHBondContact CA-O 3.48Å
26H87.4Confident82.4Confident7 Ų739 Ų393%0.03222%0.219CC..Hα-helixtrans-63.6-45.3174.7-160.1136.3000111.3T22 T23 T24 I28 Y29 K30 Y56 G195 G198 M201T22-H26 WeakPolarHBondContact O-CB 3.47Å; T22-H26 PolarHBondContact O-N 3.36Å; T23-H26 PolarHBondContact O-N 2.87Å; T24-H26 VanDerWaalsContact C-N 3.31Å; T24-H26 PolarHBondContact O-N 3.4Å; H26-I28 PolarHBondContact O-N 3.32Å; H26-Y29 PolarHBondContact O-N 3.36Å; H26-K30 VanDerWaalsContact CD2-CG 3.42Å; H26-K30 WeakPolarHBondContact CD2-CG 3.49Å; H26-K30 WeakPolarHBondContact O-CB 3.32Å; H26-K30 PolarHBondContact O-N 3.04Å; H26-Y56 HydrophobicContact CB-CD1 4.38Å; H26-Y56 HydrophobicContact CB-CG 4.34Å; H26-Y56 AromaticContact ND1-CE2 3.72Å; H26-Y56 AromaticContact ND1-CZ 3.85Å; H26-G195 PolarHBondContact ND1-O 3.31Å; H26-G198 WeakPolarHBondContact CE1-CA 3.4Å; H26-M201 HydrophobicContact CB-CE 4.25Å
27L86.9Confident82.2Confident7 Ų747.5 Ų47.54%0.03725%0.247CC..Hα-helixtrans-57.5-48.6176.1-74.4170.9000111.4T23 T24 Y29 K30 C31 M201 L202 L228 L232T23-L27 PolarHBondContact O-N 2.85Å; T23-L27 VanDerWaalsContact O-N 3.08Å; T24-L27 WeakPolarHBondContact O-CB 3.47Å; T24-L27 PolarHBondContact O-N 3.41Å; L27-Y29 VanDerWaalsContact C-N 3.35Å; L27-Y29 PolarHBondContact O-N 3.01Å; L27-K30 PolarHBondContact O-N 3.32Å; L27-C31 VanDerWaalsContact O-CB 3.25Å; L27-C31 WeakPolarHBondContact O-CB 3.36Å; L27-C31 PolarHBondContact O-N 3.39Å; L27-C31 PolarHBondContact O-SG 3.33Å; L27-M201 HydrophobicContact CD1-CE 4.28Å; L27-M201 HydrophobicContact CD2-CE 3.82Å; L27-M201 HydrophobicContact CG-CE 3.57Å; L27-L202 HydrophobicContact CD2-CD1 4.13Å; L27-L228 HydrophobicContact CD1-CD2 4Å; L27-L232 HydrophobicContact CD1-CD1 4.21Å
28I84.6Confident81.9Confident0 Ų044 Ų440%023%0.23CC..Hα-helixtrans-62.3-44.7-179.7-67160000110.9T24 G25 H26 K30 G32 G33 I34 V59 L60 W78 I89T24-I28 HydrophobicContact CG2-CD1 3.83Å; T24-I28 WeakPolarHBondContact O-CD1 3.47Å; T24-I28 WeakPolarHBondContact O-CG1 3.22Å; T24-I28 PolarHBondContact O-N 2.92Å; G25-I28 PolarHBondContact O-N 2.88Å; H26-I28 PolarHBondContact O-N 3.32Å; I28-K30 PolarHBondContact O-N 2.65Å; I28-G32 PolarHBondContact O-N 3.36Å; I28-G33 PolarHBondContact O-N 3.04Å; I28-I34 HydrophobicContact CG2-CD1 3.62Å; I28-I34 HydrophobicContact CG2-CG1 3.69Å; I28-V59 HydrophobicContact CG2-CG1 4.45Å; I28-L60 HydrophobicContact CD1-CD2 3.56Å; I28-W78 HydrophobicContact CD1-CB 3.44Å; I28-W78 VanDerWaalsContact CD1-CB 3.44Å; I28-W78 HydrophobicContact CD1-CD2 4.37Å; I28-W78 HydrophobicContact CD1-CG 3.7Å; I28-W78 HydrophobicContact CG1-CB 4.14Å; I28-W78 HydrophobicContact CG2-CE3 4.48Å; I28-I89 HydrophobicContact CG1-CD1 4.29Å
29Y82.6Confident81.2Confident67 Ų6744.4 Ų44.426%0.26323%0.232SC..Hα-helixtrans-58.4-48178.3-173.4-74000111.5G25 H26 L27 I39 Y56G25-Y29 VanDerWaalsContact O-CB 3.24Å; G25-Y29 WeakPolarHBondContact O-CB 3.24Å; G25-Y29 PolarHBondContact O-N 2.98Å; H26-Y29 PolarHBondContact O-N 3.36Å; L27-Y29 VanDerWaalsContact C-N 3.35Å; L27-Y29 PolarHBondContact O-N 3.01Å; Y29-I39 HydrophobicContact CD2-CD1 3.78Å; Y29-I39 HydrophobicContact CD2-CG1 3.92Å; Y29-I39 HydrophobicContact CD2-CG2 4.02Å; Y29-I39 HydrophobicContact CE2-CB 4.14Å; Y29-I39 HydrophobicContact CE2-CD1 3.86Å; Y29-I39 HydrophobicContact CE2-CG1 3.93Å; Y29-I39 HydrophobicContact CE2-CG2 3.15Å; Y29-I39 HydrophobicContact CG-CD1 4.17Å; Y29-Y56 HydrophobicContact CD1-CE1 4.44Å; Y29-Y56 HydrophobicContact CD2-CD1 4.27Å; Y29-Y56 AromaticContact CD2-CE1 3.96Å; Y29-Y56 HydrophobicContact CD2-CE1 3.96Å; Y29-Y56 HydrophobicContact CE2-CE1 4.34Å; Y29-Y56 HydrophobicContact CG-CD1 4.44Å; Y29-Y56 AromaticContact CG-CE1 3.99Å; Y29-Y56 HydrophobicContact CG-CE1 3.99Å
30K82.1Confident80.7Confident122 Ų12249.7 Ų49.753%0.5325%0.252SS..Hα-helixtrans-78.8-32.7-174.9-74.5-72.7-171.2167.70113.4H26 L27 I28 G32 L202H26-K30 VanDerWaalsContact CD2-CG 3.42Å; H26-K30 WeakPolarHBondContact CD2-CG 3.49Å; H26-K30 WeakPolarHBondContact O-CB 3.32Å; H26-K30 PolarHBondContact O-N 3.04Å; L27-K30 PolarHBondContact O-N 3.32Å; I28-K30 PolarHBondContact O-N 2.65Å; K30-G32 PolarHBondContact O-N 3.3Å; K30-L202 HydrophobicContact CB-CD1 3.6Å; K30-L202 HydrophobicContact CB-CD2 3.63Å; K30-L202 HydrophobicContact CB-CG 4.28Å; K30-L202 HydrophobicContact CG-CD1 4.11Å
31C80.4Confident80.3Confident28 Ų2855 Ų5519%0.18928%0.275CS..THydrogen-bonded Turntrans-83.48.4178.8-57.30000113L27 G33 F80L27-C31 VanDerWaalsContact O-CB 3.25Å; L27-C31 WeakPolarHBondContact O-CB 3.36Å; L27-C31 PolarHBondContact O-N 3.39Å; L27-C31 PolarHBondContact O-SG 3.33Å; C31-G33 VanDerWaalsContact C-N 3.34Å; C31-G33 PolarHBondContact O-N 3.39Å; C31-F80 HydrophobicContact CB-CB 3.97Å; C31-F80 HydrophobicContact CB-CD2 3.5Å; C31-F80 VanDerWaalsContact CB-CD2 3.5Å; C31-F80 HydrophobicContact CB-CE2 4.37Å; C31-F80 HydrophobicContact CB-CG 4.1Å
32G70.5Confident79.9Confident57 Ų5756 Ų5659%0.58828%0.278SS*.THydrogen-bonded Turntrans72.622.9173.600000114.6I28 K30 I34I28-G32 PolarHBondContact O-N 3.36Å; K30-G32 PolarHBondContact O-N 3.3Å; G32-I34 PolarHBondContact O-N 2.78Å
33G67.8Low79.2Confident30 Ų3057.9 Ų57.931%0.30929%0.285SS..  trans-69.2-9.617700000114.1I28 C31I28-G33 PolarHBondContact O-N 3.04Å; C31-G33 VanDerWaalsContact C-N 3.34Å; C31-G33 PolarHBondContact O-N 3.39Å
34I71Confident78.8Confident17 Ų1764.3 Ų64.39%0.08731%0.313CS..SBendtrans-136.4140.5-178.9-57.9175.5000109.5I28 G32 T38 I39 V59 W78I28-I34 HydrophobicContact CG2-CD1 3.62Å; I28-I34 HydrophobicContact CG2-CG1 3.69Å; G32-I34 PolarHBondContact O-N 2.78Å; I34-T38 HydrophobicContact CG2-CG2 3.72Å; I34-I39 HydrophobicContact CB-CD1 4.29Å; I34-I39 HydrophobicContact CB-CG1 4.19Å; I34-I39 HydrophobicContact CG2-CD1 4.42Å; I34-I39 HydrophobicContact CG2-CG1 3.87Å; I34-V59 HydrophobicContact CD1-CB 4.35Å; I34-V59 HydrophobicContact CD1-CG1 3.14Å; I34-V59 HydrophobicContact CD1-CG2 4.37Å; I34-W78 HydrophobicContact CD1-CE3 4.15Å; I34-W78 HydrophobicContact CD1-CH2 4.11Å; I34-W78 HydrophobicContact CD1-CZ3 3.69Å; I34-W78 HydrophobicContact CG1-CE3 4.25Å; I34-W78 HydrophobicContact CG1-CZ3 3.82Å
35D74.7Confident78.2Confident88 Ų8866.6 Ų66.647%0.47132%0.324SS..  trans-68.2146.3176.270.8-82.9000111.8R37 T38 I39D35-R37 PolarHBondContact O-N 2.83Å; D35-R37 VanDerWaalsContact O-N 3.13Å; D35-R37 WeakPolarHBondContact OD2-CB 3.25Å; D35-R37 PolarHBondContact OD2-N 2.75Å; D35-T38 PolarHBondContact O-N 2.68Å; D35-T38 WeakPolarHBondContact OD1-CB 3.49Å; D35-T38 PolarHBondContact OD1-OG1 3.38Å; D35-T38 PolarHBondContact OD2-N 2.67Å; D35-T38 PolarHBondContact OD2-OG1 2.97Å; D35-T38 VanDerWaalsContact OD2-OG1 3.05Å; D35-I39 PolarHBondContact O-N 3.07Å; D35-I39 VanDerWaalsContact O-N 3.13Å
36K75.4Confident77.7Confident174 Ų17466.6 Ų66.676%0.75732%0.324SS*.Hα-helixtrans-57.4-31.5-176.2-71.4-175.1177-178.60113.7I39 E40K36-I39 WeakPolarHBondContact O-CB 3.39Å; K36-I39 PolarHBondContact O-N 3.18Å; K36-E40 WeakPolarHBondContact O-CG 3.3Å; K36-E40 PolarHBondContact O-N 3.45Å
37R78.3Confident77.1Confident210 Ų21069.2 Ų69.279%0.79235%0.346SS*.Hα-helixtrans-72.3-41.3-178-177.6-176.6179.2-176.70.5111.4D35 I39 E40 K41D35-R37 PolarHBondContact O-N 2.83Å; D35-R37 VanDerWaalsContact O-N 3.13Å; D35-R37 WeakPolarHBondContact OD2-CB 3.25Å; D35-R37 PolarHBondContact OD2-N 2.75Å; R37-I39 VanDerWaalsContact C-N 3.32Å; R37-E40 PolarHBondContact O-N 3.46Å; R37-K41 PolarHBondContact O-N 3.16Å; R37-K41 VanDerWaalsContact O-N 3.1Å
38T74.5Confident76.7Confident44 Ų4475.6 Ų75.627%0.2738%0.376SS..Hα-helixtrans-64.5-39.2174.1-63.60000111.2I34 D35 K41 F42I34-T38 HydrophobicContact CG2-CG2 3.72Å; D35-T38 PolarHBondContact O-N 2.68Å; D35-T38 WeakPolarHBondContact OD1-CB 3.49Å; D35-T38 PolarHBondContact OD1-OG1 3.38Å; D35-T38 PolarHBondContact OD2-N 2.67Å; D35-T38 PolarHBondContact OD2-OG1 2.97Å; D35-T38 VanDerWaalsContact OD2-OG1 3.05Å; T38-K41 WeakPolarHBondContact O-CB 3.47Å; T38-K41 PolarHBondContact O-N 3.49Å; T38-F42 HydrophobicContact CG2-CD2 3.89Å; T38-F42 HydrophobicContact CG2-CE2 3.32Å; T38-F42 HydrophobicContact CG2-CZ 3.75Å; T38-F42 WeakPolarHBondContact O-CD2 3.39Å; T38-F42 WeakPolarHBondContact O-CG 3.31Å; T38-F42 PolarHBondContact O-N 2.84Å
39I73.9Confident75.9Confident11 Ų1180.4 Ų80.46%0.05640%0.4CS..Hα-helixtrans-57-53.1172.8-78.9167.6000111.7Y29 I34 D35 K36 R37 K41 F42 E43Y29-I39 HydrophobicContact CD2-CD1 3.78Å; Y29-I39 HydrophobicContact CD2-CG1 3.92Å; Y29-I39 HydrophobicContact CD2-CG2 4.02Å; Y29-I39 HydrophobicContact CE2-CB 4.14Å; Y29-I39 HydrophobicContact CE2-CD1 3.86Å; Y29-I39 HydrophobicContact CE2-CG1 3.93Å; Y29-I39 HydrophobicContact CE2-CG2 3.15Å; Y29-I39 HydrophobicContact CG-CD1 4.17Å; I34-I39 HydrophobicContact CB-CD1 4.29Å; I34-I39 HydrophobicContact CB-CG1 4.19Å; I34-I39 HydrophobicContact CG2-CD1 4.42Å; I34-I39 HydrophobicContact CG2-CG1 3.87Å; D35-I39 PolarHBondContact O-N 3.07Å; D35-I39 VanDerWaalsContact O-N 3.13Å; K36-I39 WeakPolarHBondContact O-CB 3.39Å; K36-I39 PolarHBondContact O-N 3.18Å; R37-I39 VanDerWaalsContact C-N 3.32Å; I39-K41 PolarHBondContact O-N 2.78Å; I39-F42 PolarHBondContact O-N 2.98Å; I39-F42 VanDerWaalsContact O-N 3.11Å; I39-E43 PolarHBondContact O-N 3.39Å
40E78.7Confident75.1Confident128 Ų12880.5 Ų80.560%0.59842%0.421SS*.Hα-helixtrans-61.1-36.9-178.8-74170.4-17400111.6K36 R37 K44K36-E40 WeakPolarHBondContact O-CG 3.3Å; K36-E40 PolarHBondContact O-N 3.45Å; R37-E40 PolarHBondContact O-N 3.46Å; E40-K44 WeakPolarHBondContact O-CB 3.2Å; E40-K44 PolarHBondContact O-N 3.16Å; E40-K44 VanDerWaalsContact O-N 3.08Å
41K80.3Confident74.2Confident124 Ų12477.3 Ų77.354%0.53941%0.408SS..Hα-helixtrans-61-47.5173.9-177.8-177171.7-173.70111.5R37 T38 I39 K44 E45R37-K41 PolarHBondContact O-N 3.16Å; R37-K41 VanDerWaalsContact O-N 3.1Å; T38-K41 WeakPolarHBondContact O-CB 3.47Å; T38-K41 PolarHBondContact O-N 3.49Å; I39-K41 PolarHBondContact O-N 2.78Å; K41-K44 PolarHBondContact O-N 2.89Å; K41-E45 WeakPolarHBondContact CE-OE1 3.43Å; K41-E45 IonicContact NZ-OE1 2.74Å; K41-E45 WeakPolarHBondContact O-CG 3.34Å; K41-E45 PolarHBondContact O-N 2.7Å
42F75.6Confident73.1Confident35 Ų3577.8 Ų77.815%0.15442%0.417CS..Hα-helixtrans-67.5-37.7179.8-69-34.9000113T38 I39 K44 E45 A46T38-F42 HydrophobicContact CG2-CD2 3.89Å; T38-F42 HydrophobicContact CG2-CE2 3.32Å; T38-F42 HydrophobicContact CG2-CZ 3.75Å; T38-F42 WeakPolarHBondContact O-CD2 3.39Å; T38-F42 WeakPolarHBondContact O-CG 3.31Å; T38-F42 PolarHBondContact O-N 2.84Å; I39-F42 PolarHBondContact O-N 2.98Å; I39-F42 VanDerWaalsContact O-N 3.11Å; F42-K44 VanDerWaalsContact C-N 3.31Å; F42-K44 PolarHBondContact O-N 3.09Å; F42-E45 PolarHBondContact O-N 3.39Å; F42-A46 WeakPolarHBondContact O-CB 3.42Å; F42-A46 PolarHBondContact O-N 2.85Å
43E74.9Confident72.5Confident63 Ų6378.5 Ų78.529%0.29441%0.413SS..Hα-helixtrans-61.8-41174.5-72.8-171.5154.400111.4I39 A47 K55I39-E43 PolarHBondContact O-N 3.39Å; E43-A47 WeakPolarHBondContact O-CB 3.37Å; E43-A47 PolarHBondContact O-N 3Å; E43-A47 VanDerWaalsContact O-N 3.08Å; E43-K55 HydrophobicContact CG-CB 4.32Å; E43-K55 HydrophobicContact CG-CD 4.46Å; E43-K55 IonicContact OE1-NZ 2.75Å
44K80.1Confident72.3Confident136 Ų13681.4 Ų81.459%0.59142%0.417SS*.Hα-helixtrans-66.2-47.2176.4-171.6176.4175.3-178.20112.3E40 K41 F42 A46 A47 E48E40-K44 WeakPolarHBondContact O-CB 3.2Å; E40-K44 PolarHBondContact O-N 3.16Å; E40-K44 VanDerWaalsContact O-N 3.08Å; K41-K44 PolarHBondContact O-N 2.89Å; F42-K44 VanDerWaalsContact C-N 3.31Å; F42-K44 PolarHBondContact O-N 3.09Å; K44-A46 PolarHBondContact O-N 3.46Å; K44-A47 PolarHBondContact O-N 2.54Å; K44-E48 WeakPolarHBondContact CE-OE1 2.97Å; K44-E48 WeakPolarHBondContact O-CG 3.47Å; K44-E48 PolarHBondContact O-N 3.04Å
45E77.5Confident72.2Confident51 Ų5183.4 Ų83.424%0.23843%0.425CS..Hα-helixtrans-59.6-43.9176.9-75.8-179.7-170.500112K41 F42 A47 E48 M49 R67K41-E45 WeakPolarHBondContact CE-OE1 3.43Å; K41-E45 IonicContact NZ-OE1 2.74Å; K41-E45 WeakPolarHBondContact O-CG 3.34Å; K41-E45 PolarHBondContact O-N 2.7Å; F42-E45 PolarHBondContact O-N 3.39Å; E45-A47 VanDerWaalsContact C-N 3.33Å; E45-A47 PolarHBondContact O-N 2.77Å; E45-E48 PolarHBondContact O-N 2.84Å; E45-M49 PolarHBondContact O-N 3.45Å; E45-M49 VanDerWaalsContact O-N 3.16Å; E45-R67 IonicContact OE2-NH1 3.8Å; E45-R67 PolarHBondContact OE2-NH1 3.49Å
46A73.8Confident72Confident0 Ų080.2 Ų80.20%041%0.407CS..Hα-helixtrans-64.6-37.8178.800000112.1F42 K44 K51 G52 W58F42-A46 WeakPolarHBondContact O-CB 3.42Å; F42-A46 PolarHBondContact O-N 2.85Å; K44-A46 PolarHBondContact O-N 3.46Å; A46-K51 CarbonylContact O-C 3.53Å; A46-K51 VanDerWaalsContact O-C 3.23Å; A46-K51 PolarHBondContact O-N 3.5Å; A46-G52 PolarHBondContact O-N 3.05Å; A46-W58 HydrophobicContact CB-CD2 4.24Å; A46-W58 HydrophobicContact CB-CG 4.22Å
47A76.4Confident71.5Confident62 Ų6272.2 Ų72.251%0.51237%0.373SS..Hα-helixtrans-67.9-42.9175.700000112.3E43 K44 E45 M49 G50E43-A47 WeakPolarHBondContact O-CB 3.37Å; E43-A47 PolarHBondContact O-N 3Å; E43-A47 VanDerWaalsContact O-N 3.08Å; K44-A47 PolarHBondContact O-N 2.54Å; E45-A47 VanDerWaalsContact C-N 3.33Å; E45-A47 PolarHBondContact O-N 2.77Å; A47-M49 VanDerWaalsContact C-N 3.25Å; A47-M49 PolarHBondContact O-N 3.26Å; A47-G50 PolarHBondContact O-N 2.82Å
48E78.5Confident71.2Confident140 Ų14062.4 Ų62.465%0.65434%0.336SS*.Hα-helixtrans-62.2-31.5177.7-75.1175.6-177.800112.6K44 E45 G50K44-E48 WeakPolarHBondContact CE-OE1 2.97Å; K44-E48 WeakPolarHBondContact O-CG 3.47Å; K44-E48 PolarHBondContact O-N 3.04Å; E45-E48 PolarHBondContact O-N 2.84Å; E48-G50 VanDerWaalsContact C-N 3.28Å; E48-G50 PolarHBondContact O-N 3.06Å
49M67.4Low70.9Confident101 Ų10160.7 Ų60.750%0.49833%0.326SS..THydrogen-bonded Turntrans-85.57.5176.3-66.8-172.463.600114.1E45 A47 K51 W58E45-M49 PolarHBondContact O-N 3.45Å; E45-M49 VanDerWaalsContact O-N 3.16Å; A47-M49 VanDerWaalsContact C-N 3.25Å; A47-M49 PolarHBondContact O-N 3.26Å; M49-K51 PolarHBondContact O-N 3.17Å; M49-W58 HydrophobicContact CE-CH2 3.91Å; M49-W58 HydrophobicContact SD-CH2 3.41Å; M49-W58 WeakPolarHBondContact SD-CH2 3.44Å; M49-W58 HydrophobicContact SD-CZ2 3.55Å; M49-W58 VanDerWaalsContact SD-CZ2 3.55Å
50G65.3Low70.5Confident70 Ų7060.2 Ų60.272%0.72232%0.323SS*.THydrogen-bonded Turntrans69.610.5179.600000114.4A47 E48A47-G50 PolarHBondContact O-N 2.82Å; E48-G50 VanDerWaalsContact C-N 3.28Å; E48-G50 PolarHBondContact O-N 3.06Å
51K62.8Low70Confident55 Ų5554.6 Ų54.624%0.23930%0.297CS..  trans-111.137.2179-66.5-166.7-179.7-172.50111.6A46 M49 S53 F54 R67 E68A46-K51 CarbonylContact O-C 3.53Å; A46-K51 VanDerWaalsContact O-C 3.23Å; A46-K51 PolarHBondContact O-N 3.5Å; M49-K51 PolarHBondContact O-N 3.17Å; K51-S53 PolarHBondContact O-N 2.93Å; K51-F54 HydrophobicContact CB-CD2 4.2Å; K51-F54 PolarHBondContact O-N 2.81Å; K51-R67 PolarHBondContact NZ-O 2.79Å; K51-E68 PolarHBondContact NZ-O 2.7Å
52G57.9Low69.2Low38 Ų3855.4 Ų55.439%0.39230%0.301SS..G310 helixtrans-56.8-24.3179.500000113.8A46 F54A46-G52 PolarHBondContact O-N 3.05Å; G52-F54 PolarHBondContact O-N 3.02Å
53S58.7Low68.4Low71 Ų7157.4 Ų57.450%0.49731%0.313SS..G310 helixtrans-69.3-1.6172.753.80000114.9K51 W196K51-S53 PolarHBondContact O-N 2.93Å; S53-W196 VanDerWaalsContact C-CH2 3.45Å; S53-W196 WeakPolarHBondContact O-CH2 3.25Å; S53-W196 WeakPolarHBondContact O-CZ3 3.42Å
54F62.5Low67.6Low91 Ų9161.9 Ų61.940%0.39933%0.331SS..G310 helixtrans-118.420.1-179.2-71.1-85.3000113.8K51 G52 Y56 A57 W58K51-F54 HydrophobicContact CB-CD2 4.2Å; K51-F54 PolarHBondContact O-N 2.81Å; G52-F54 PolarHBondContact O-N 3.02Å; F54-Y56 PolarHBondContact O-N 3.4Å; F54-A57 HydrophobicContact CB-CB 4.45Å; F54-A57 HydrophobicContact CD1-CB 4.34Å; F54-A57 PolarHBondContact O-N 3.46Å; F54-W58 PolarHBondContact O-N 3.02Å
55K69.7Low66.6Low60 Ų6057.4 Ų57.426%0.26132%0.32SS..THydrogen-bonded Turntrans-49.5-36.5-17567178.9-170.8163.40115.1E43E43-K55 HydrophobicContact CG-CB 4.32Å; E43-K55 HydrophobicContact CG-CD 4.46Å; E43-K55 IonicContact OE1-NZ 2.75Å
56Y70.9Confident66Low20 Ų2055.2 Ų55.28%0.07831%0.31CS..THydrogen-bonded Turntrans-79-35.6178.6-61.6-56.8000113.2T22 G25 H26 Y29 F54 W58 V59 W196T22-Y56 HydrophobicContact CG2-CD2 4.21Å; G25-Y56 WeakPolarHBondContact CA-O 3.48Å; H26-Y56 HydrophobicContact CB-CD1 4.38Å; H26-Y56 HydrophobicContact CB-CG 4.34Å; H26-Y56 AromaticContact ND1-CE2 3.72Å; H26-Y56 AromaticContact ND1-CZ 3.85Å; Y29-Y56 HydrophobicContact CD1-CE1 4.44Å; Y29-Y56 HydrophobicContact CD2-CD1 4.27Å; Y29-Y56 AromaticContact CD2-CE1 3.96Å; Y29-Y56 HydrophobicContact CD2-CE1 3.96Å; Y29-Y56 HydrophobicContact CE2-CE1 4.34Å; Y29-Y56 HydrophobicContact CG-CD1 4.44Å; Y29-Y56 AromaticContact CG-CE1 3.99Å; Y29-Y56 HydrophobicContact CG-CE1 3.99Å; F54-Y56 PolarHBondContact O-N 3.4Å; Y56-W58 VanDerWaalsContact C-N 3.31Å; Y56-V59 WeakPolarHBondContact O-CB 3.26Å; Y56-V59 PolarHBondContact O-N 3.08Å; Y56-W196 HydrophobicContact CD2-CE3 4.23Å; Y56-W196 HydrophobicContact CD2-CZ3 4.2Å
57A64.6Low65.7Low7 Ų757.5 Ų57.56%0.05832%0.318CS..G310 helixtrans-69.5-32.9175.400000111.5F54 V59 L60 D61F54-A57 HydrophobicContact CB-CB 4.45Å; F54-A57 HydrophobicContact CD1-CB 4.34Å; F54-A57 PolarHBondContact O-N 3.46Å; A57-V59 PolarHBondContact O-N 3.04Å; A57-V59 VanDerWaalsContact O-N 3.13Å; A57-L60 PolarHBondContact O-N 3.19Å; A57-D61 PolarHBondContact O-N 2.8Å
58W70.7Confident65.1Low4 Ų459.7 Ų59.72%0.01532%0.318CS..G310 helixtrans-60.3-24.4177.7-154-98.1000114.4A46 M49 F54 Y56 L60 R67A46-W58 HydrophobicContact CB-CD2 4.24Å; A46-W58 HydrophobicContact CB-CG 4.22Å; M49-W58 HydrophobicContact CE-CH2 3.91Å; M49-W58 HydrophobicContact SD-CH2 3.41Å; M49-W58 WeakPolarHBondContact SD-CH2 3.44Å; M49-W58 HydrophobicContact SD-CZ2 3.55Å; M49-W58 VanDerWaalsContact SD-CZ2 3.55Å; F54-W58 PolarHBondContact O-N 3.02Å; Y56-W58 VanDerWaalsContact C-N 3.31Å; W58-L60 PolarHBondContact O-N 2.82Å; W58-R67 HydrophobicContact CD2-CG 4.23Å; W58-R67 HydrophobicContact CE3-CB 4.39Å; W58-R67 HydrophobicContact CE3-CG 3.99Å; W58-R67 HydrophobicContact CH2-CB 3.51Å; W58-R67 HydrophobicContact CH2-CG 3.63Å; W58-R67 HydrophobicContact CZ2-CB 4.21Å; W58-R67 VanDerWaalsContact CZ2-CD 3.46Å; W58-R67 HydrophobicContact CZ2-CG 3.89Å; W58-R67 HydrophobicContact CZ3-CB 3.61Å; W58-R67 HydrophobicContact CZ3-CG 3.68Å
59V68.1Low64.4Low7 Ų761.6 Ų61.64%0.04232%0.319CS..G310 helixtrans-61.8-37.1173169.80000110.9I28 I34 Y56 A57 W78I28-V59 HydrophobicContact CG2-CG1 4.45Å; I34-V59 HydrophobicContact CD1-CB 4.35Å; I34-V59 HydrophobicContact CD1-CG1 3.14Å; I34-V59 HydrophobicContact CD1-CG2 4.37Å; Y56-V59 WeakPolarHBondContact O-CB 3.26Å; Y56-V59 PolarHBondContact O-N 3.08Å; A57-V59 PolarHBondContact O-N 3.04Å; A57-V59 VanDerWaalsContact O-N 3.13Å; V59-W78 HydrophobicContact CG1-CZ2 4.48Å; V59-W78 WeakPolarHBondContact O-CZ2 3.4Å
60L65.8Low64.3Low1 Ų158.6 Ų58.61%0.00531%0.314CS..THydrogen-bonded Turntrans-92.9-37.7-173.4-59.6175.1000112S21 T24 I28 A57 W58 K62 W78 D91S21-L60 VanDerWaalsContact O-CD1 3.26Å; S21-L60 WeakPolarHBondContact O-CD1 3.04Å; T24-L60 HydrophobicContact CG2-CD1 3.55Å; T24-L60 HydrophobicContact CG2-CD2 4.06Å; T24-L60 HydrophobicContact CG2-CG 4.46Å; I28-L60 HydrophobicContact CD1-CD2 3.56Å; A57-L60 PolarHBondContact O-N 3.19Å; W58-L60 PolarHBondContact O-N 2.82Å; L60-K62 PolarHBondContact O-N 3.21Å; L60-K62 VanDerWaalsContact O-N 3.16Å; L60-W78 HydrophobicContact CD2-CD2 4.42Å; L60-W78 HydrophobicContact CD2-CG 3.89Å; L60-D91 HydrophobicContact CD1-CB 4.3Å; L60-D91 WeakPolarHBondContact CD1-OD2 3.34Å
61D67.9Low64.4Low10 Ų1057.3 Ų57.35%0.05329%0.29CS..  trans-75.3102.5-176.8-64.5-22.1000110.6A57 E66 R67A57-D61 PolarHBondContact O-N 2.8Å; D61-E66 HydrophobicContact CB-CB 3.88Å; D61-R67 HydrophobicContact CB-CG 4.06Å; D61-R67 PolarHBondContact O-NE 2.96Å; D61-R67 PolarHBondContact O-NH2 3.42Å
62K65.2Low64Low141 Ų14155.3 Ų55.361%0.61328%0.282SS*.  trans-93.1-30.6179.3-72.2-175-179.3176.30112.2L60 E66L60-K62 PolarHBondContact O-N 3.21Å; L60-K62 VanDerWaalsContact O-N 3.16Å; K62-E66 PolarHBondContact N-OE2 2.75Å; K62-E66 VanDerWaalsContact N-OE2 3.11Å
63L58.8Low64Low77 Ų7754.9 Ų54.940%0.40327%0.271SS..SBendtrans-81.2140.2-176-63.4170.3000110.7A65 E66 R67 D74L63-A65 PolarHBondContact O-N 2.92Å; L63-E66 HydrophobicContact CB-CB 4.26Å; L63-E66 HydrophobicContact CB-CG 3.84Å; L63-E66 WeakPolarHBondContact CB-OE2 3.46Å; L63-E66 HydrophobicContact CD1-CG 4.32Å; L63-E66 PolarHBondContact N-OE2 2.77Å; L63-E66 WeakPolarHBondContact O-CB 3.4Å; L63-E66 PolarHBondContact O-N 3.19Å; L63-R67 PolarHBondContact O-N 2.98Å; L63-R67 VanDerWaalsContact O-N 3.08Å; L63-D74 HydrophobicContact CD1-CB 3.91Å
64K57.7Low63.9Low157 Ų15755.5 Ų55.568%0.68327%0.269SS*.Hα-helixtrans-56.5-37.8175.3-166.3-176.4-175.8-1600111.7R67 E68K64-R67 PolarHBondContact O-N 3.27Å; K64-E68 WeakPolarHBondContact CE-OE1 3.45Å; K64-E68 IonicContact NZ-OE1 3.56Å; K64-E68 WeakPolarHBondContact O-CB 3.49Å; K64-E68 WeakPolarHBondContact O-CG 3.47Å; K64-E68 PolarHBondContact O-N 2.77Å
65A59.2Low63.8Low43 Ų4353 Ų5336%0.35526%0.259SS..Hα-helixtrans-67.4-34.4177.300000113.4L63 R69 I73L63-A65 PolarHBondContact O-N 2.92Å; A65-R69 WeakPolarHBondContact O-CB 3.41Å; A65-R69 WeakPolarHBondContact O-CG 3.32Å; A65-R69 PolarHBondContact O-N 3.27Å; A65-R69 VanDerWaalsContact O-N 3.11Å; A65-I73 HydrophobicContact CB-CD1 3.94Å
66E65.4Low63.6Low5 Ų550.7 Ų50.72%0.02325%0.25CS..Hα-helixtrans-65.1-49.9173.5-69.5172.8149.100109.9D61 K62 L63 E68 R69 G70 I71 I73 D74D61-E66 HydrophobicContact CB-CB 3.88Å; K62-E66 PolarHBondContact N-OE2 2.75Å; K62-E66 VanDerWaalsContact N-OE2 3.11Å; L63-E66 HydrophobicContact CB-CB 4.26Å; L63-E66 HydrophobicContact CB-CG 3.84Å; L63-E66 WeakPolarHBondContact CB-OE2 3.46Å; L63-E66 HydrophobicContact CD1-CG 4.32Å; L63-E66 PolarHBondContact N-OE2 2.77Å; L63-E66 WeakPolarHBondContact O-CB 3.4Å; L63-E66 PolarHBondContact O-N 3.19Å; E66-E68 PolarHBondContact O-N 3.25Å; E66-R69 PolarHBondContact O-N 2.79Å; E66-G70 WeakPolarHBondContact O-CA 3.43Å; E66-G70 PolarHBondContact O-N 3.23Å; E66-I71 VanDerWaalsContact CA-O 3.32Å; E66-I71 WeakPolarHBondContact CA-O 3.42Å; E66-I71 WeakPolarHBondContact CB-O 3.43Å; E66-I71 WeakPolarHBondContact CG-O 3.36Å; E66-I71 PolarHBondContact O-N 3.43Å; E66-I73 HydrophobicContact CG-CB 3.64Å; E66-I73 HydrophobicContact CG-CD1 3.85Å; E66-I73 HydrophobicContact CG-CG1 3.7Å; E66-I73 WeakPolarHBondContact OE1-CA 3.17Å; E66-I73 PolarHBondContact OE1-N 2.78Å; E66-D74 PolarHBondContact OE1-N 3.07Å
67R66Low63.4Low47 Ų4754.2 Ų54.218%0.17727%0.27CS..Hα-helixtrans-60.2-41179.2-71.5175.3177.1-153.3-4.2113E45 K51 W58 D61 L63 K64E45-R67 IonicContact OE2-NH1 3.8Å; E45-R67 PolarHBondContact OE2-NH1 3.49Å; K51-R67 PolarHBondContact NZ-O 2.79Å; W58-R67 HydrophobicContact CD2-CG 4.23Å; W58-R67 HydrophobicContact CE3-CB 4.39Å; W58-R67 HydrophobicContact CE3-CG 3.99Å; W58-R67 HydrophobicContact CH2-CB 3.51Å; W58-R67 HydrophobicContact CH2-CG 3.63Å; W58-R67 HydrophobicContact CZ2-CB 4.21Å; W58-R67 VanDerWaalsContact CZ2-CD 3.46Å; W58-R67 HydrophobicContact CZ2-CG 3.89Å; W58-R67 HydrophobicContact CZ3-CB 3.61Å; W58-R67 HydrophobicContact CZ3-CG 3.68Å; D61-R67 HydrophobicContact CB-CG 4.06Å; D61-R67 PolarHBondContact O-NE 2.96Å; D61-R67 PolarHBondContact O-NH2 3.42Å; L63-R67 PolarHBondContact O-N 2.98Å; L63-R67 VanDerWaalsContact O-N 3.08Å; K64-R67 PolarHBondContact O-N 3.27Å
68E64Low63.9Low108 Ų10855.7 Ų55.751%0.50527%0.274SS..Hα-helixtrans-70.1-44.3178.6-77.6175.4-177.900111.9K51 K64 E66K51-E68 PolarHBondContact NZ-O 2.7Å; K64-E68 WeakPolarHBondContact CE-OE1 3.45Å; K64-E68 IonicContact NZ-OE1 3.56Å; K64-E68 WeakPolarHBondContact O-CB 3.49Å; K64-E68 WeakPolarHBondContact O-CG 3.47Å; K64-E68 PolarHBondContact O-N 2.77Å; E66-E68 PolarHBondContact O-N 3.25Å
69R65.1Low64.3Low180 Ų18062.1 Ų62.168%0.67930%0.302SS*.Hα-helixtrans-86.5-16.3-176-65.2-178.2178.9-169.2-0.2114.4A65 E66 I71A65-R69 WeakPolarHBondContact O-CB 3.41Å; A65-R69 WeakPolarHBondContact O-CG 3.32Å; A65-R69 PolarHBondContact O-N 3.27Å; A65-R69 VanDerWaalsContact O-N 3.11Å; E66-R69 PolarHBondContact O-N 2.79Å; R69-I71 VanDerWaalsContact C-N 3.27Å; R69-I71 HydrophobicContact CB-CD1 4.16Å; R69-I71 HydrophobicContact CB-CG1 3.79Å; R69-I71 PolarHBondContact O-N 3.49Å
70G63.4Low64.9Low38 Ų3862.1 Ų62.139%0.39230%0.302SS..THydrogen-bonded Turntrans67.526.7-176.100000113.6E66E66-G70 WeakPolarHBondContact O-CA 3.43Å; E66-G70 PolarHBondContact O-N 3.23Å
71I67.2Low65.7Low44 Ų4466.6 Ų66.623%0.22632%0.322CS..SBendtrans-127.8138.7178.262.6179.2000109.3E66 R69 I73 F98E66-I71 VanDerWaalsContact CA-O 3.32Å; E66-I71 WeakPolarHBondContact CA-O 3.42Å; E66-I71 WeakPolarHBondContact CB-O 3.43Å; E66-I71 WeakPolarHBondContact CG-O 3.36Å; E66-I71 PolarHBondContact O-N 3.43Å; R69-I71 VanDerWaalsContact C-N 3.27Å; R69-I71 HydrophobicContact CB-CD1 4.16Å; R69-I71 HydrophobicContact CB-CG1 3.79Å; R69-I71 PolarHBondContact O-N 3.49Å; I71-I73 HydrophobicContact CG1-CG1 4.2Å; I71-F98 HydrophobicContact CD1-CE2 4.4Å
72T55.3Low66.6Low12 Ų1266.5 Ų66.57%0.07432%0.322CS..  trans-71.8128.9171.4-38.90000109.5S21 P93S21-T72 PolarHBondContact OG-OG1 3.21Å; T72-P93 WeakPolarHBondContact O-CB 3.14Å
73I57.5Low67.5Low30 Ų3064 Ų6415%0.15432%0.323CS..  trans-113.1-48.9-175.6-65.1173.9000109.8A65 E66 I71 F98 N101A65-I73 HydrophobicContact CB-CD1 3.94Å; E66-I73 HydrophobicContact CG-CB 3.64Å; E66-I73 HydrophobicContact CG-CD1 3.85Å; E66-I73 HydrophobicContact CG-CG1 3.7Å; E66-I73 WeakPolarHBondContact OE1-CA 3.17Å; E66-I73 PolarHBondContact OE1-N 2.78Å; I71-I73 HydrophobicContact CG1-CG1 4.2Å; I73-F98 HydrophobicContact CB-CE2 4.33Å; I73-F98 HydrophobicContact CB-CZ 4.29Å; I73-F98 HydrophobicContact CG1-CE2 3.91Å; I73-F98 HydrophobicContact CG1-CZ 3.97Å; I73-F98 HydrophobicContact CG2-CD1 4.32Å; I73-F98 HydrophobicContact CG2-CE1 3.79Å; I73-F98 HydrophobicContact CG2-CE2 4.31Å; I73-F98 HydrophobicContact CG2-CZ 3.81Å; I73-N101 PolarHBondContact O-ND2 2.88Å
74D57.3Low68.8Low83 Ų8365.9 Ų65.944%0.44433%0.328SS..SBendtrans-108.5160.6-179.2-157.56.9000111.5L63 E66 S76L63-D74 HydrophobicContact CD1-CB 3.91Å; E66-D74 PolarHBondContact OE1-N 3.07Å; D74-S76 PolarHBondContact O-N 3.19Å
75I60.8Low70.1Confident39 Ų3959.4 Ų59.420%0.230%0.299CS..PPolyproline II helixtrans-76.6124.4178.9-56.2168.5000108.3L77 I90 N101 T104I75-L77 HydrophobicContact CG2-CD2 4.31Å; I75-I90 HydrophobicContact CG2-CG2 3.41Å; I75-I90 VanDerWaalsContact CG2-CG2 3.41Å; I75-N101 HydrophobicContact CD1-CB 4.36Å; I75-N101 WeakPolarHBondContact CD1-O 3.37Å; I75-N101 HydrophobicContact CG1-CB 4.12Å; I75-T104 WeakPolarHBondContact CD1-OG1 3.48Å
76S63.9Low71.3Confident11 Ų1162 Ų628%0.07730%0.301CS..EExtended strand (participates in β ladder)trans-101.3128.116967.80000110.2D74 W78 D91D74-S76 PolarHBondContact O-N 3.19Å; S76-W78 PolarHBondContact OG-NE1 3.42Å; S76-D91 PolarHBondContact O-N 3.27Å
77L67.3Low72.2Confident94 Ų9461.9 Ų61.949%0.49230%0.3SS..EExtended strand (participates in β ladder)trans-97.9119.5174.9-63175.6000108.9I75 T88 I89 I90I75-L77 HydrophobicContact CG2-CD2 4.31Å; L77-T88 HydrophobicContact CD2-CG2 4.14Å; L77-I89 WeakPolarHBondContact CA-O 3.47Å; L77-I90 HydrophobicContact CD2-CB 4.46Å; L77-I90 HydrophobicContact CD2-CG1 3.77Å
78W76.2Confident73Confident39 Ų3960 Ų6015%0.14829%0.294CS..EExtended strand (participates in β ladder)trans-130.5141.1178.3-70.592.7000110.9I28 I34 V59 L60 S76 T88 I89I28-W78 HydrophobicContact CD1-CB 3.44Å; I28-W78 VanDerWaalsContact CD1-CB 3.44Å; I28-W78 HydrophobicContact CD1-CD2 4.37Å; I28-W78 HydrophobicContact CD1-CG 3.7Å; I28-W78 HydrophobicContact CG1-CB 4.14Å; I28-W78 HydrophobicContact CG2-CE3 4.48Å; I34-W78 HydrophobicContact CD1-CE3 4.15Å; I34-W78 HydrophobicContact CD1-CH2 4.11Å; I34-W78 HydrophobicContact CD1-CZ3 3.69Å; I34-W78 HydrophobicContact CG1-CE3 4.25Å; I34-W78 HydrophobicContact CG1-CZ3 3.82Å; V59-W78 HydrophobicContact CG1-CZ2 4.48Å; V59-W78 WeakPolarHBondContact O-CZ2 3.4Å; L60-W78 HydrophobicContact CD2-CD2 4.42Å; L60-W78 HydrophobicContact CD2-CG 3.89Å; S76-W78 PolarHBondContact OG-NE1 3.42Å; W78-T88 CarbonylContact O-C 3.48Å; W78-T88 WeakPolarHBondContact O-CA 3.47Å; W78-I89 PolarHBondContact N-O 2.8Å; W78-I89 PolarHBondContact O-N 3Å
79K77.5Confident74Confident139 Ų13955.1 Ų55.160%0.60427%0.271SS*.EExtended strand (participates in β ladder)trans-109.3137.2-179.3-62.6-172.2177.3-175.40110V87K79-V87 VanDerWaalsContact CA-O 3.32Å; K79-V87 WeakPolarHBondContact CA-O 3.31Å
80F82.3Confident74.8Confident6 Ų646.6 Ų46.63%0.02624%0.239CC..EExtended strand (participates in β ladder)trans-145.4164166.975-77.4000109.8C31 T82 V87 I89 L229 L232C31-F80 HydrophobicContact CB-CB 3.97Å; C31-F80 HydrophobicContact CB-CD2 3.5Å; C31-F80 VanDerWaalsContact CB-CD2 3.5Å; C31-F80 HydrophobicContact CB-CE2 4.37Å; C31-F80 HydrophobicContact CB-CG 4.1Å; F80-T82 HydrophobicContact CD2-CG2 4.33Å; F80-T82 HydrophobicContact CE2-CG2 3.62Å; F80-T82 HydrophobicContact CZ-CG2 4.26Å; F80-V87 HydrophobicContact CD1-CB 3.93Å; F80-V87 HydrophobicContact CD1-CG1 4.15Å; F80-V87 HydrophobicContact CE1-CB 3.44Å; F80-V87 VanDerWaalsContact CE1-CB 3.44Å; F80-V87 HydrophobicContact CE1-CG1 3.31Å; F80-V87 HydrophobicContact CE1-CG2 4.27Å; F80-V87 HydrophobicContact CE2-CB 4.32Å; F80-V87 HydrophobicContact CE2-CG2 4.38Å; F80-V87 HydrophobicContact CZ-CB 3.7Å; F80-V87 HydrophobicContact CZ-CG1 3.68Å; F80-V87 HydrophobicContact CZ-CG2 4.01Å; F80-V87 PolarHBondContact N-O 2.84Å; F80-V87 PolarHBondContact O-N 3.41Å; F80-I89 HydrophobicContact CD1-CD1 3.79Å; F80-I89 HydrophobicContact CD1-CG1 3.85Å; F80-I89 HydrophobicContact CE1-CD1 3.32Å; F80-I89 HydrophobicContact CE1-CG1 3.37Å; F80-I89 HydrophobicContact CZ-CD1 4.21Å; F80-I89 HydrophobicContact CZ-CG1 4.48Å; F80-L229 HydrophobicContact CE2-CD1 4.05Å; F80-L232 HydrophobicContact CZ-CD1 4.06Å
81E82.9Confident75.4Confident95 Ų9544.9 Ų44.944%0.44422%0.221SC..EExtended strand (participates in β ladder)trans-107.5138.1-178.3-65.2-170.2-154.500111.1K5 Y86K5-E81 IonicContact NZ-OE2 3.53Å; K5-E81 PolarHBondContact NZ-OE2 3.39Å; E81-Y86 HydrophobicContact CG-CD1 3.64Å; E81-Y86 HydrophobicContact CG-CE1 3.51Å; E81-Y86 WeakPolarHBondContact OE1-CE1 3.23Å
82T85.2Confident75.7Confident8 Ų842.8 Ų42.85%0.04921%0.21CC..  trans-105.5-173.416572.20000110.1K5 F80 K84 Y85 V87 L229 D233K5-T82 WeakPolarHBondContact CE-O 3.46Å; K5-T82 PolarHBondContact NZ-O 3.23Å; F80-T82 HydrophobicContact CD2-CG2 4.33Å; F80-T82 HydrophobicContact CE2-CG2 3.62Å; F80-T82 HydrophobicContact CZ-CG2 4.26Å; T82-K84 VanDerWaalsContact C-N 3.27Å; T82-K84 PolarHBondContact O-N 3Å; T82-K84 PolarHBondContact OG1-N 3.18Å; T82-Y85 PolarHBondContact N-O 3.07Å; T82-Y85 PolarHBondContact OG1-N 2.84Å; T82-Y85 PolarHBondContact OG1-O 3.14Å; T82-V87 HydrophobicContact CG2-CG2 3.66Å; T82-L229 HydrophobicContact CG2-CD1 3.8Å; T82-D233 WeakPolarHBondContact CB-OD1 3.25Å; T82-D233 PolarHBondContact OG1-OD1 3.32Å
83S84.9Confident76.6Confident89 Ų8942.3 Ų42.362%0.62221%0.207SC*.SBendtrans-66.1-31.4176.865.20000112.3D233S83-D233 PolarHBondContact N-OD2 3.35Å; S83-D233 VanDerWaalsContact OG-CG 3.25Å; S83-D233 PolarHBondContact OG-OD2 3.49Å
84K85.2Confident76.8Confident117 Ų11741.1 Ų41.151%0.50920%0.202SC..SBendtrans-111.7-26.6-176.9-65.9179.7-173.1168.20115.3K5 T82 D233K5-K84 WeakPolarHBondContact CB-O 3.28Å; T82-K84 VanDerWaalsContact C-N 3.27Å; T82-K84 PolarHBondContact O-N 3Å; T82-K84 PolarHBondContact OG1-N 3.18Å; K84-D233 PolarHBondContact N-OD1 2.92Å; K84-D233 PolarHBondContact NZ-O 2.84Å
85Y86.1Confident77.5Confident20 Ų2040.3 Ų40.38%0.07820%0.196CC..EExtended strand (participates in β ladder)trans-128.6150.4-165.6-61.7-62.8000113.4T6 I8 T82 I235 P237T6-Y85 HydrophobicContact CG2-CE1 4.45Å; T6-Y85 CarbonylContact O-C 3.59Å; T6-Y85 VanDerWaalsContact O-CA 3.27Å; T6-Y85 WeakPolarHBondContact O-CA 3.46Å; T6-Y85 WeakPolarHBondContact O-CD1 3.46Å; I8-Y85 HydrophobicContact CD1-CD1 4.46Å; I8-Y85 HydrophobicContact CD1-CD2 3.75Å; I8-Y85 HydrophobicContact CD1-CE2 4.4Å; I8-Y85 HydrophobicContact CD1-CG 3.77Å; I8-Y85 HydrophobicContact CG1-CG 4.2Å; I8-Y85 HydrophobicContact CG2-CD1 3.79Å; I8-Y85 HydrophobicContact CG2-CE1 4.09Å; I8-Y85 HydrophobicContact CG2-CG 4.15Å; T82-Y85 PolarHBondContact N-O 3.07Å; T82-Y85 PolarHBondContact OG1-N 2.84Å; T82-Y85 PolarHBondContact OG1-O 3.14Å; Y85-I235 WeakPolarHBondContact CE2-O 3.2Å; Y85-I235 PolarHBondContact OH-O 3.03Å; Y85-P237 HydrophobicContact CE1-CB 4.41Å; Y85-P237 WeakPolarHBondContact OH-CD 3.42Å
86Y83.4Confident77.6Confident99 Ų9943.2 Ų43.239%0.38820%0.204SC..EExtended strand (participates in β ladder)trans-85.7116.8154.6-76.4-69.3000107.7K5 T6 H7 I8 E81K5-Y86 HydrophobicContact CB-CD2 3.59Å; K5-Y86 HydrophobicContact CB-CE2 3.67Å; K5-Y86 HydrophobicContact CB-CG 4.34Å; K5-Y86 HydrophobicContact CD-CE2 4.35Å; K5-Y86 HydrophobicContact CG-CE2 4.3Å; K5-Y86 WeakPolarHBondContact O-CD2 3.35Å; T6-Y86 PolarHBondContact O-N 3.43Å; H7-Y86 CarbonylContact C-O 3.23Å; H7-Y86 WeakPolarHBondContact CA-O 3.38Å; I8-Y86 PolarHBondContact N-O 2.9Å; E81-Y86 HydrophobicContact CG-CD1 3.64Å; E81-Y86 HydrophobicContact CG-CE1 3.51Å; E81-Y86 WeakPolarHBondContact OE1-CE1 3.23Å
87V85.3Confident77.6Confident1 Ų148.8 Ų48.81%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-107.9121.8-175-174.40000109.5I8 I10 K79 F80 T82 I89I8-V87 HydrophobicContact CD1-CG2 3.9Å; I8-V87 HydrophobicContact CG1-CB 4.32Å; I8-V87 HydrophobicContact CG1-CG1 4.28Å; I8-V87 HydrophobicContact CG1-CG2 3.81Å; I8-V87 WeakPolarHBondContact O-CA 3.43Å; I10-V87 HydrophobicContact CB-CG1 4.31Å; I10-V87 HydrophobicContact CD1-CG1 3.45Å; I10-V87 VanDerWaalsContact CD1-CG1 3.45Å; I10-V87 HydrophobicContact CG1-CG1 3.79Å; K79-V87 VanDerWaalsContact CA-O 3.32Å; K79-V87 WeakPolarHBondContact CA-O 3.31Å; F80-V87 HydrophobicContact CD1-CB 3.93Å; F80-V87 HydrophobicContact CD1-CG1 4.15Å; F80-V87 HydrophobicContact CE1-CB 3.44Å; F80-V87 VanDerWaalsContact CE1-CB 3.44Å; F80-V87 HydrophobicContact CE1-CG1 3.31Å; F80-V87 HydrophobicContact CE1-CG2 4.27Å; F80-V87 HydrophobicContact CE2-CB 4.32Å; F80-V87 HydrophobicContact CE2-CG2 4.38Å; F80-V87 HydrophobicContact CZ-CB 3.7Å; F80-V87 HydrophobicContact CZ-CG1 3.68Å; F80-V87 HydrophobicContact CZ-CG2 4.01Å; F80-V87 PolarHBondContact N-O 2.84Å; F80-V87 PolarHBondContact O-N 3.41Å; T82-V87 HydrophobicContact CG2-CG2 3.66Å; V87-I89 HydrophobicContact CG1-CG1 4.29Å
88T82.9Confident77.4Confident9 Ų946.4 Ų46.46%0.05522%0.219CC..EExtended strand (participates in β ladder)trans-96.7115.1164.2-66.40000108.8H7 I8 I10 L77 W78H7-T88 PolarHBondContact CE1-OG1 3.25Å; H7-T88 PolarHBondContact NE2-OG1 3.01Å; I8-T88 PolarHBondContact O-N 3.05Å; I10-T88 PolarHBondContact N-O 3.36Å; L77-T88 HydrophobicContact CD2-CG2 4.14Å; W78-T88 CarbonylContact O-C 3.48Å; W78-T88 WeakPolarHBondContact O-CA 3.47Å
89I83.8Confident77Confident4 Ų445.6 Ų45.62%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-86.2133.5170.7-54.6-177.2000109.6I10 V12 T24 I28 L77 W78 F80 V87I10-I89 CarbonylContact O-C 3.57Å; I10-I89 WeakPolarHBondContact O-CA 3.37Å; V12-I89 HydrophobicContact CG2-CG2 3.68Å; T24-I89 HydrophobicContact CG2-CB 4.3Å; T24-I89 HydrophobicContact CG2-CD1 3.83Å; T24-I89 HydrophobicContact CG2-CG2 3.6Å; I28-I89 HydrophobicContact CG1-CD1 4.29Å; L77-I89 WeakPolarHBondContact CA-O 3.47Å; W78-I89 PolarHBondContact N-O 2.8Å; W78-I89 PolarHBondContact O-N 3Å; F80-I89 HydrophobicContact CD1-CD1 3.79Å; F80-I89 HydrophobicContact CD1-CG1 3.85Å; F80-I89 HydrophobicContact CE1-CD1 3.32Å; F80-I89 HydrophobicContact CE1-CG1 3.37Å; F80-I89 HydrophobicContact CZ-CD1 4.21Å; F80-I89 HydrophobicContact CZ-CG1 4.48Å; V87-I89 HydrophobicContact CG1-CG1 4.29Å
90I81.7Confident76.5Confident2 Ų242.7 Ų42.71%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-107.999.2170.8-53.1-179.5000106N9 I10 V11 V12 I75 L77 A92 G105 Q108N9-I90 HydrophobicContact CB-CD1 4.49Å; I10-I90 PolarHBondContact O-N 2.67Å; V11-I90 WeakPolarHBondContact CA-O 3.43Å; V11-I90 HydrophobicContact CB-CB 4.34Å; V11-I90 HydrophobicContact CG2-CB 4.31Å; V11-I90 HydrophobicContact CG2-CG2 4.2Å; V12-I90 PolarHBondContact N-O 2.91Å; I75-I90 HydrophobicContact CG2-CG2 3.41Å; I75-I90 VanDerWaalsContact CG2-CG2 3.41Å; L77-I90 HydrophobicContact CD2-CB 4.46Å; L77-I90 HydrophobicContact CD2-CG1 3.77Å; I90-A92 PolarHBondContact O-N 3.49Å; I90-G105 WeakPolarHBondContact CD1-O 3.36Å; I90-Q108 HydrophobicContact CD1-CB 4.36Å
91D77.8Confident75.9Confident1 Ų144.4 Ų44.41%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-75.9113174.1-164.232.8000108.6S21 L60 S76S21-D91 WeakPolarHBondContact CB-OD2 3.21Å; S21-D91 PolarHBondContact OG-OD2 2.88Å; L60-D91 HydrophobicContact CD1-CB 4.3Å; L60-D91 WeakPolarHBondContact CD1-OD2 3.34Å; S76-D91 PolarHBondContact O-N 3.27Å
92A72.9Confident75.3Confident1 Ų139.9 Ų39.91%0.00819%0.193CC..  trans-94.7138.4-176.700000111V11 V12 I13 K20 I90 M102V11-A92 HydrophobicContact CG2-CB 3.8Å; V12-A92 WeakPolarHBondContact O-CB 3.46Å; V12-A92 PolarHBondContact O-N 3.13Å; I13-A92 HydrophobicContact CG2-CB 4.41Å; K20-A92 WeakPolarHBondContact CE-O 3.45Å; I90-A92 PolarHBondContact O-N 3.49Å; A92-M102 HydrophobicContact CB-CB 4.29Å; A92-M102 HydrophobicContact CB-CG 3.74Å
93P72.9Confident74.5Confident1 Ų140.3 Ų40.31%0.00620%0.195CC..  trans-64.9142.7-177.426.5-34000111.2T72 F98 N101T72-P93 WeakPolarHBondContact O-CB 3.14Å; P93-F98 HydrophobicContact CB-CB 3.62Å; P93-F98 HydrophobicContact CB-CD2 4.21Å; P93-F98 HydrophobicContact CB-CG 4.28Å; P93-F98 HydrophobicContact CG-CB 3.45Å; P93-F98 VanDerWaalsContact CG-CB 3.45Å; P93-F98 HydrophobicContact CG-CG 4.49Å; P93-F98 WeakPolarHBondContact CG-O 3.44Å; P93-N101 HydrophobicContact CG-CB 3.9Å
94G63.6Low73.7Confident5 Ų538.5 Ų38.55%0.05218%0.18CC..  trans-81.1-23.1-179.600000113.9V16 Q132V16-G94 WeakPolarHBondContact CG2-O 3.28Å; G94-Q132 PolarHBondContact O-NE2 3.02Å; G94-Q132 PolarHBondContact O-OE1 3.02Å
95H70.4Confident72.9Confident66 Ų6633.1 Ų33.131%0.30616%0.158SC..SBendtrans-82.5147.9-168.4-162.5-91.8000112.7D97 F98H95-D97 VanDerWaalsContact C-N 3.29Å; H95-D97 VanDerWaalsContact CE1-CG 3.48Å; H95-D97 IonicContact CE1-OD1 2.69Å; H95-D97 IonicContact CE1-OD2 3.68Å; H95-D97 PolarHBondContact CE1-OD2 3.48Å; H95-D97 PolarHBondContact ND1-N 2.82Å; H95-D97 IonicContact ND1-OD1 2.67Å; H95-D97 IonicContact ND1-OD2 2.77Å; H95-D97 PolarHBondContact ND1-OD2 2.82Å; H95-D97 PolarHBondContact O-N 3.17Å; H95-F98 HydrophobicContact CB-CD2 3.66Å; H95-F98 HydrophobicContact CB-CE2 4.04Å; H95-F98 PolarHBondContact O-N 2.78Å; H95-F98 VanDerWaalsContact O-N 3.08Å
96R64.5Low72.1Confident101 Ų10132.2 Ų32.238%0.38115%0.154SC..G310 helixtrans-58-40.7-178.3-76.9-174.2172.7-174.5-3.4112.8F98 I99 N130 Q132R96-F98 PolarHBondContact O-N 3.37Å; R96-F98 VanDerWaalsContact O-N 3.08Å; R96-I99 WeakPolarHBondContact O-CD1 3.27Å; R96-I99 VanDerWaalsContact O-CG1 3.26Å; R96-I99 WeakPolarHBondContact O-CG1 3.36Å; R96-I99 PolarHBondContact O-N 2.91Å; R96-N130 VanDerWaalsContact NH2-CB 3.32Å; R96-N130 PolarHBondContact NH2-O 3.24Å; R96-Q132 HydrophobicContact CG-CG 4.29Å
97D62Low71.3Confident127 Ų12729.6 Ų29.668%0.67915%0.15SC*.G310 helixtrans-64.3-15.1-178.6-56.1-11.1000113.4H95H95-D97 VanDerWaalsContact C-N 3.29Å; H95-D97 VanDerWaalsContact CE1-CG 3.48Å; H95-D97 IonicContact CE1-OD1 2.69Å; H95-D97 IonicContact CE1-OD2 3.68Å; H95-D97 PolarHBondContact CE1-OD2 3.48Å; H95-D97 PolarHBondContact ND1-N 2.82Å; H95-D97 IonicContact ND1-OD1 2.67Å; H95-D97 IonicContact ND1-OD2 2.77Å; H95-D97 PolarHBondContact ND1-OD2 2.82Å; H95-D97 PolarHBondContact O-N 3.17Å
98F63.8Low70.5Confident44 Ų4433.2 Ų33.219%0.19317%0.167CC..G310 helixtrans-111.517.3-177.8-52.5-54.2000113.4I71 I73 P93 H95 R96 K100 N101 M102I71-F98 HydrophobicContact CD1-CE2 4.4Å; I73-F98 HydrophobicContact CB-CE2 4.33Å; I73-F98 HydrophobicContact CB-CZ 4.29Å; I73-F98 HydrophobicContact CG1-CE2 3.91Å; I73-F98 HydrophobicContact CG1-CZ 3.97Å; I73-F98 HydrophobicContact CG2-CD1 4.32Å; I73-F98 HydrophobicContact CG2-CE1 3.79Å; I73-F98 HydrophobicContact CG2-CE2 4.31Å; I73-F98 HydrophobicContact CG2-CZ 3.81Å; P93-F98 HydrophobicContact CB-CB 3.62Å; P93-F98 HydrophobicContact CB-CD2 4.21Å; P93-F98 HydrophobicContact CB-CG 4.28Å; P93-F98 HydrophobicContact CG-CB 3.45Å; P93-F98 VanDerWaalsContact CG-CB 3.45Å; P93-F98 HydrophobicContact CG-CG 4.49Å; P93-F98 WeakPolarHBondContact CG-O 3.44Å; H95-F98 HydrophobicContact CB-CD2 3.66Å; H95-F98 HydrophobicContact CB-CE2 4.04Å; H95-F98 PolarHBondContact O-N 2.78Å; H95-F98 VanDerWaalsContact O-N 3.08Å; R96-F98 PolarHBondContact O-N 3.37Å; R96-F98 VanDerWaalsContact O-N 3.08Å; F98-K100 PolarHBondContact O-N 3.36Å; F98-K100 VanDerWaalsContact O-N 3.16Å; F98-N101 WeakPolarHBondContact O-CB 3.35Å; F98-N101 PolarHBondContact O-N 2.69Å; F98-M102 PolarHBondContact O-N 2.84Å; F98-M102 VanDerWaalsContact O-N 3.14Å
99I68.9Low70.4Confident23 Ų2333.2 Ų33.212%0.11817%0.168CC..Hα-helixtrans-55.1-33.6174.6-74.5169.1000111.6R96 N101 M102 I103 E135 L139R96-I99 WeakPolarHBondContact O-CD1 3.27Å; R96-I99 VanDerWaalsContact O-CG1 3.26Å; R96-I99 WeakPolarHBondContact O-CG1 3.36Å; R96-I99 PolarHBondContact O-N 2.91Å; I99-N101 VanDerWaalsContact C-N 3.31Å; I99-N101 PolarHBondContact O-N 2.79Å; I99-M102 WeakPolarHBondContact O-CB 3.26Å; I99-M102 PolarHBondContact O-N 3.23Å; I99-M102 VanDerWaalsContact O-N 3.15Å; I99-I103 HydrophobicContact CG2-CD1 3.69Å; I99-I103 HydrophobicContact CG2-CG1 4.38Å; I99-I103 WeakPolarHBondContact O-CD1 3.28Å; I99-I103 WeakPolarHBondContact O-CG1 3.28Å; I99-I103 PolarHBondContact O-N 3.22Å; I99-E135 HydrophobicContact CD1-CG 4.48Å; I99-E135 WeakPolarHBondContact CD1-OE1 3.48Å; I99-L139 HydrophobicContact CG2-CD1 3.87Å
100K66.7Low70.5Confident77 Ų7734.6 Ų34.634%0.33518%0.176SC..Hα-helixtrans-55.1-46.1174.5-178.8173.7-179.5156.70112.3F98 I103 T104 D360 H365F98-K100 PolarHBondContact O-N 3.36Å; F98-K100 VanDerWaalsContact O-N 3.16Å; K100-I103 PolarHBondContact O-N 2.88Å; K100-T104 PolarHBondContact O-N 3.5Å; K100-T104 PolarHBondContact O-OG1 2.67Å; K100-D360 VanDerWaalsContact CE-OD1 3.24Å; K100-D360 WeakPolarHBondContact CE-OD1 3.41Å; K100-D360 WeakPolarHBondContact CE-OD2 3.48Å; K100-D360 IonicContact NZ-OD1 3.95Å; K100-D360 PolarHBondContact NZ-OD1 3.11Å; K100-D360 IonicContact NZ-OD2 3.65Å; K100-D360 PolarHBondContact NZ-OD2 3.23Å; K100-H365 PolarHBondContact NZ-CE1 2.94Å; K100-H365 VanDerWaalsContact NZ-CE1 3.3Å; K100-H365 PolarHBondContact NZ-ND1 2.87Å; K100-H365 VanDerWaalsContact NZ-ND1 3.2Å
101N68.3Low70.9Confident42 Ų4234.6 Ų34.623%0.22518%0.176CC..Hα-helixtrans-70.2-37179.1-65.9-4.1000110.7I73 I75 P93 F98 I99 I103 T104 G105I73-N101 PolarHBondContact O-ND2 2.88Å; I75-N101 HydrophobicContact CD1-CB 4.36Å; I75-N101 WeakPolarHBondContact CD1-O 3.37Å; I75-N101 HydrophobicContact CG1-CB 4.12Å; P93-N101 HydrophobicContact CG-CB 3.9Å; F98-N101 WeakPolarHBondContact O-CB 3.35Å; F98-N101 PolarHBondContact O-N 2.69Å; I99-N101 VanDerWaalsContact C-N 3.31Å; I99-N101 PolarHBondContact O-N 2.79Å; N101-I103 PolarHBondContact O-N 2.8Å; N101-T104 WeakPolarHBondContact CA-OG1 3.4Å; N101-T104 PolarHBondContact O-N 3.21Å; N101-T104 PolarHBondContact O-OG1 3.28Å; N101-G105 PolarHBondContact O-N 2.74Å; N101-G105 VanDerWaalsContact O-N 3.13Å
102M70.9Confident71.7Confident0 Ų034.5 Ų34.50%018%0.175CC..Hα-helixtrans-57.8-38.1173.6-169.1-142.6172.700111.8I13 A92 F98 I99 T106 H136 L139I13-M102 HydrophobicContact CB-CE 3.78Å; I13-M102 HydrophobicContact CD1-CE 4.42Å; I13-M102 HydrophobicContact CG2-CE 3.27Å; A92-M102 HydrophobicContact CB-CB 4.29Å; A92-M102 HydrophobicContact CB-CG 3.74Å; F98-M102 PolarHBondContact O-N 2.84Å; F98-M102 VanDerWaalsContact O-N 3.14Å; I99-M102 WeakPolarHBondContact O-CB 3.26Å; I99-M102 PolarHBondContact O-N 3.23Å; I99-M102 VanDerWaalsContact O-N 3.15Å; M102-T106 WeakPolarHBondContact O-CB 3.26Å; M102-T106 PolarHBondContact O-N 3.35Å; M102-T106 PolarHBondContact O-OG1 3.23Å; M102-H136 HydrophobicContact CE-CB 3.41Å; M102-H136 VanDerWaalsContact CE-CB 3.41Å; M102-H136 HydrophobicContact SD-CB 4.18Å; M102-H136 PolarHBondContact SD-CD2 3.09Å; M102-L139 HydrophobicContact SD-CD1 3.83Å
103I68.4Low72.7Confident18 Ų1834.8 Ų34.89%0.09218%0.177CC..Hα-helixtrans-73.3-45.6-177.5-70159.7000112.1I99 K100 N101 G105 T106 S107 L139 L143 L423I99-I103 HydrophobicContact CG2-CD1 3.69Å; I99-I103 HydrophobicContact CG2-CG1 4.38Å; I99-I103 WeakPolarHBondContact O-CD1 3.28Å; I99-I103 WeakPolarHBondContact O-CG1 3.28Å; I99-I103 PolarHBondContact O-N 3.22Å; K100-I103 PolarHBondContact O-N 2.88Å; N101-I103 PolarHBondContact O-N 2.8Å; I103-G105 PolarHBondContact O-N 2.63Å; I103-T106 PolarHBondContact O-N 3.3Å; I103-S107 WeakPolarHBondContact O-CB 3.24Å; I103-S107 PolarHBondContact O-N 3.02Å; I103-S107 PolarHBondContact O-OG 2.79Å; I103-L139 HydrophobicContact CD1-CD2 4.35Å; I103-L139 HydrophobicContact CG1-CD2 4.49Å; I103-L143 HydrophobicContact CB-CD1 4.29Å; I103-L143 HydrophobicContact CG1-CD1 4.15Å; I103-L143 HydrophobicContact CG2-CD1 4.03Å; I103-L143 HydrophobicContact CG2-CD2 4.19Å; I103-L423 HydrophobicContact CD1-CB 3.86Å; I103-L423 HydrophobicContact CD1-CD1 3.58Å; I103-L423 HydrophobicContact CD1-CD2 3.04Å; I103-L423 HydrophobicContact CD1-CG 3.6Å
104T67.7Low73.8Confident51 Ų5134.8 Ų34.831%0.31318%0.177SC..Hα-helixtrans-57.6-42176490000109.9I75 K100 N101 S107I75-T104 WeakPolarHBondContact CD1-OG1 3.48Å; K100-T104 PolarHBondContact O-N 3.5Å; K100-T104 PolarHBondContact O-OG1 2.67Å; N101-T104 WeakPolarHBondContact CA-OG1 3.4Å; N101-T104 PolarHBondContact O-N 3.21Å; N101-T104 PolarHBondContact O-OG1 3.28Å; T104-S107 PolarHBondContact O-OG 2.84Å
105G68.6Low75.3Confident4 Ų434.6 Ų34.64%0.04117%0.174CC..Hα-helixtrans-67-46.4174.300000114.2I90 N101 I103 S107 Q108I90-G105 WeakPolarHBondContact CD1-O 3.36Å; N101-G105 PolarHBondContact O-N 2.74Å; N101-G105 VanDerWaalsContact O-N 3.13Å; I103-G105 PolarHBondContact O-N 2.63Å; G105-S107 VanDerWaalsContact C-N 3.3Å; G105-S107 PolarHBondContact O-N 3.26Å; G105-Q108 PolarHBondContact O-N 2.85Å
106T70.3Confident76.5Confident1 Ų131.6 Ų31.61%0.00616%0.161CC..Hα-helixtrans-68.4-28.8-177.4-57.40000112.4V11 M102 I103 Q108 A109 A140 L143 V145V11-T106 HydrophobicContact CG1-CG2 4.14Å; M102-T106 WeakPolarHBondContact O-CB 3.26Å; M102-T106 PolarHBondContact O-N 3.35Å; M102-T106 PolarHBondContact O-OG1 3.23Å; I103-T106 PolarHBondContact O-N 3.3Å; T106-Q108 PolarHBondContact O-N 3.34Å; T106-A109 WeakPolarHBondContact O-CB 3.44Å; T106-A109 PolarHBondContact O-N 3.15Å; T106-A109 VanDerWaalsContact O-N 3.08Å; T106-A140 HydrophobicContact CG2-CB 4.17Å; T106-L143 HydrophobicContact CG2-CB 4.1Å; T106-L143 HydrophobicContact CG2-CD1 3.56Å; T106-L143 HydrophobicContact CG2-CG 4.48Å; T106-V145 HydrophobicContact CG2-CG2 3.77Å
107S66.8Low77.9Confident44 Ų4427.2 Ų27.231%0.30815%0.146SC..THydrogen-bonded Turntrans-62.4-24.4179.968.80000113.9I103 T104 G105I103-S107 WeakPolarHBondContact O-CB 3.24Å; I103-S107 PolarHBondContact O-N 3.02Å; I103-S107 PolarHBondContact O-OG 2.79Å; T104-S107 PolarHBondContact O-OG 2.84Å; G105-S107 VanDerWaalsContact C-N 3.3Å; G105-S107 PolarHBondContact O-N 3.26Å
108Q67.1Low79.5Confident76 Ų7621.1 Ų21.136%0.35511%0.114SC..THydrogen-bonded Turntrans-97.7-3.1178.9-59.2-177.5-0.400113N9 I90 G105 T106N9-Q108 WeakPolarHBondContact CB-O 3.35Å; N9-Q108 PolarHBondContact ND2-O 3.02Å; I90-Q108 HydrophobicContact CD1-CB 4.36Å; G105-Q108 PolarHBondContact O-N 2.85Å; T106-Q108 PolarHBondContact O-N 3.34Å
109A81.5Confident80.8Confident10 Ų1019.2 Ų19.28%0.08311%0.107CC..  trans-85.1135.2-172.300000112.3V11 T106 V145V11-A109 HydrophobicContact CB-CB 3.73Å; V11-A109 HydrophobicContact CG1-CB 3.54Å; T106-A109 WeakPolarHBondContact O-CB 3.44Å; T106-A109 PolarHBondContact O-N 3.15Å; T106-A109 VanDerWaalsContact O-N 3.08Å; A109-V145 HydrophobicContact CB-CG2 4.31Å
110D85.3Confident81.7Confident33 Ų3322.8 Ų22.818%0.17613%0.129CC..SBendtrans-85.6-30174.7-57.5-52.9000111.3I8 N9 P238I8-D110 WeakPolarHBondContact CA-OD2 3.43Å; N9-D110 PolarHBondContact N-OD2 3.16Å; N9-D110 PolarHBondContact O-N 3.18Å; D110-P238 HydrophobicContact CB-CB 4.25Å; D110-P238 HydrophobicContact CB-CG 4.19Å; D110-P238 VanDerWaalsContact CG-CG 3.48Å; D110-P238 VanDerWaalsContact OD1-CB 3.26Å; D110-P238 WeakPolarHBondContact OD1-CB 3.46Å; D110-P238 VanDerWaalsContact OD1-CG 3.31Å; D110-P238 WeakPolarHBondContact OD1-CG 3.49Å
111C91.2Very high82.6Confident1 Ų121.1 Ų21.11%0.00713%0.134CC..EExtended strand (participates in β ladder)trans-141.1146.6177.6-172.80000110.6N9 I10 V11 Q147 I235N9-C111 PolarHBondContact O-N 3.37Å; I10-C111 WeakPolarHBondContact CA-O 3.46Å; V11-C111 PolarHBondContact N-O 3.42Å; V11-C111 VanDerWaalsContact N-O 3.08Å; C111-Q147 HydrophobicContact CB-CB 4.08Å; C111-Q147 PolarHBondContact SG-O 3.33Å; C111-I235 HydrophobicContact CB-CD1 3.66Å; C111-I235 HydrophobicContact CB-CG1 4.06Å; C111-I235 HydrophobicContact CB-CG2 4.14Å
112A93.3Very high83.6Confident0 Ų022.5 Ų22.50%014%0.139CC..EExtended strand (participates in β ladder)trans-105.3138.4170.500000110.5V11 I13 A140 V145 Q147 L148 I149V11-A112 HydrophobicContact CG1-CB 3.91Å; V11-A112 CarbonylContact O-C 3.53Å; V11-A112 WeakPolarHBondContact O-CA 3.15Å; I13-A112 HydrophobicContact CD1-CB 4.02Å; I13-A112 HydrophobicContact CG1-CB 4.46Å; A112-A140 HydrophobicContact CB-CB 4.16Å; A112-V145 HydrophobicContact CB-CG1 3.86Å; A112-Q147 PolarHBondContact N-O 2.81Å; A112-L148 HydrophobicContact CB-CD1 3.8Å; A112-L148 WeakPolarHBondContact O-CA 3.36Å; A112-I149 PolarHBondContact O-N 3.29Å
113V95.3Very high84.6Confident6 Ų622.7 Ų22.74%0.03614%0.14CC..EExtended strand (participates in β ladder)trans-108.8107.6169.8178.40000107.8I10 V11 V12 I13 I115 I149 L232I10-V113 HydrophobicContact CG2-CB 4.39Å; I10-V113 HydrophobicContact CG2-CG2 3.5Å; V11-V113 PolarHBondContact O-N 3.48Å; V12-V113 WeakPolarHBondContact CA-O 3.35Å; V12-V113 HydrophobicContact CG2-CB 4.34Å; I13-V113 PolarHBondContact N-O 2.97Å; V113-I115 HydrophobicContact CG1-CD1 3.69Å; V113-I115 HydrophobicContact CG1-CG1 4.42Å; V113-I149 CarbonylContact C-O 3.28Å; V113-I149 WeakPolarHBondContact CA-O 3.48Å; V113-I149 HydrophobicContact CG2-CB 4.38Å; V113-L232 HydrophobicContact CG2-CD2 3.72Å
114L95.2Very high85.7Confident2 Ų225.4 Ų25.41%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-89.8110.4178.1-177.968000110.3I13 V116 T133 A137 L148 I149 V150 G151I13-L114 HydrophobicContact CD1-CB 4.42Å; I13-L114 HydrophobicContact CD1-CD1 3.95Å; I13-L114 HydrophobicContact CG1-CB 4.13Å; I13-L114 HydrophobicContact CG1-CD1 3.75Å; I13-L114 CarbonylContact O-C 3.56Å; I13-L114 WeakPolarHBondContact O-CA 3.33Å; L114-V116 HydrophobicContact CD2-CG2 4.25Å; L114-V116 HydrophobicContact CG-CG2 4.02Å; L114-T133 HydrophobicContact CD1-CG2 3.8Å; L114-T133 HydrophobicContact CD2-CG2 4.06Å; L114-T133 HydrophobicContact CG-CG2 4.17Å; L114-A137 HydrophobicContact CD2-CB 4.29Å; L114-L148 HydrophobicContact CB-CD1 3.97Å; L114-I149 PolarHBondContact N-O 2.83Å; L114-V150 HydrophobicContact CB-CG2 4.38Å; L114-V150 HydrophobicContact CD2-CG2 4.36Å; L114-V150 CarbonylContact O-C 3.52Å; L114-V150 WeakPolarHBondContact O-CA 3.3Å; L114-G151 PolarHBondContact O-N 2.71Å
115I95.3Very high86.6Confident0 Ų025 Ų250%015%0.154CC..EExtended strand (participates in β ladder)trans-89.3125175.6-53.8-58.6000109.5V12 I13 S18 K20 T23 V113 G151 N153 I193V12-I115 HydrophobicContact CG1-CG1 3.75Å; I13-I115 PolarHBondContact O-N 3.03Å; S18-I115 WeakPolarHBondContact O-CG2 3.21Å; K20-I115 HydrophobicContact CG-CB 4.09Å; K20-I115 HydrophobicContact CG-CG1 4.25Å; T23-I115 HydrophobicContact CG2-CD1 4.07Å; V113-I115 HydrophobicContact CG1-CD1 3.69Å; V113-I115 HydrophobicContact CG1-CG1 4.42Å; I115-G151 WeakPolarHBondContact CA-O 3.36Å; I115-N153 HydrophobicContact CG2-CB 3.66Å; I115-I193 HydrophobicContact CD1-CD1 4.33Å
116V94.8Very high87.4Confident4 Ų425 Ų252%0.02415%0.153CC..EExtended strand (participates in β ladder)trans-124.5122.6-178-178.90000108.4L114 F123 T133 V150 G151 V152 N153 I170 V174L114-V116 HydrophobicContact CD2-CG2 4.25Å; L114-V116 HydrophobicContact CG-CG2 4.02Å; V116-F123 HydrophobicContact CG1-CD2 3.49Å; V116-F123 VanDerWaalsContact CG1-CD2 3.49Å; V116-F123 HydrophobicContact CG1-CE2 3.69Å; V116-T133 HydrophobicContact CG2-CG2 3.98Å; V116-V150 HydrophobicContact CG2-CG1 4.06Å; V116-G151 PolarHBondContact N-O 3.41Å; V116-V152 CarbonylContact O-C 3.53Å; V116-V152 WeakPolarHBondContact O-CA 3.2Å; V116-N153 PolarHBondContact O-N 2.97Å; V116-I170 HydrophobicContact CG1-CG2 4.06Å; V116-V174 HydrophobicContact CG1-CG2 4.39Å; V116-V174 HydrophobicContact CG2-CG2 4.47Å
117A94.7Very high88.1Confident8 Ų825.5 Ų25.57%0.06616%0.156CC..EExtended strand (participates in β ladder)trans-69.9139.6174.900000111.5E122 F123 N153 K154A117-E122 HydrophobicContact CB-CB 3.78Å; A117-E122 WeakPolarHBondContact CB-OE2 3.06Å; A117-F123 WeakPolarHBondContact O-CB 3.39Å; A117-N153 CarbonylContact C-O 3.47Å; A117-K154 HydrophobicContact CB-CD 4.5Å
118A94.8Very high89Confident0 Ų025.5 Ų25.50%016%0.156CC..  trans-92.4-15178.200000114.3V152 N153 M155 T158 R166 I170A118-V152 HydrophobicContact CB-CG1 3.86Å; A118-N153 VanDerWaalsContact CB-O 3.26Å; A118-N153 WeakPolarHBondContact CB-O 3.49Å; A118-N153 PolarHBondContact N-O 3.21Å; A118-M155 HydrophobicContact CB-SD 3.8Å; A118-T158 HydrophobicContact CB-CG2 3.6Å; A118-R166 PolarHBondContact O-NE 2.8Å; A118-I170 HydrophobicContact CB-CD1 3.75Å
119G91.3Very high89.3Confident4 Ų431 Ų314%0.04118%0.178CC..SBendtrans-54.8147.5178.600000112.7G121 E122 F123 R166G119-G121 PolarHBondContact O-N 3.38Å; G119-E122 PolarHBondContact O-N 3.11Å; G119-F123 PolarHBondContact O-N 2.76Å; G119-R166 PolarHBondContact O-NH2 2.91Å
120V87.8Confident89Confident97 Ų9735.3 Ų35.359%0.58820%0.2SC*.THydrogen-bonded Turntrans-68.2130.3175.4-176.60000108.8E122V120-E122 PolarHBondContact O-N 3.28Å
121G87.4Confident88.6Confident42 Ų4233.9 Ų33.943%0.43319%0.193SC..THydrogen-bonded Turntrans87.1-39.4-175.300000113.4G119 E124 A125G119-G121 PolarHBondContact O-N 3.38Å; G121-E124 VanDerWaalsContact CA-OE2 3.26Å; G121-E124 WeakPolarHBondContact CA-OE2 3.26Å; G121-E124 PolarHBondContact N-OE2 3.02Å; G121-A125 VanDerWaalsContact O-CB 3.28Å; G121-A125 WeakPolarHBondContact O-CB 3.41Å; G121-A125 PolarHBondContact O-N 2.77Å
122E89Confident88.1Confident72 Ų7234.4 Ų34.434%0.33620%0.196SC..Hα-helixtrans-68.3-43.7178-62.9-169.3178.200112.2A117 G119 V120 A125 G126 K154A117-E122 HydrophobicContact CB-CB 3.78Å; A117-E122 WeakPolarHBondContact CB-OE2 3.06Å; G119-E122 PolarHBondContact O-N 3.11Å; V120-E122 PolarHBondContact O-N 3.28Å; E122-A125 PolarHBondContact O-N 3.07Å; E122-G126 PolarHBondContact O-N 2.72Å; E122-G126 VanDerWaalsContact O-N 3.07Å; E122-K154 IonicContact OE1-NZ 3.66Å; E122-K154 PolarHBondContact OE1-NZ 2.8Å; E122-K154 VanDerWaalsContact OE2-CD 3.31Å; E122-K154 WeakPolarHBondContact OE2-CD 3.47Å; E122-K154 WeakPolarHBondContact OE2-CE 3.21Å; E122-K154 IonicContact OE2-NZ 3.8Å; E122-K154 PolarHBondContact OE2-NZ 3.19Å
123F91.3Very high87.7Confident4 Ų434.7 Ų34.72%0.01820%0.197CC..Hα-helixtrans-61.4-48.7176.1175.4-115.8000111.1V116 A117 G119 A125 G126 I127 R166 I170 E173 V174V116-F123 HydrophobicContact CG1-CD2 3.49Å; V116-F123 VanDerWaalsContact CG1-CD2 3.49Å; V116-F123 HydrophobicContact CG1-CE2 3.69Å; A117-F123 WeakPolarHBondContact O-CB 3.39Å; G119-F123 PolarHBondContact O-N 2.76Å; F123-A125 VanDerWaalsContact C-N 3.32Å; F123-A125 PolarHBondContact O-N 3.18Å; F123-G126 PolarHBondContact O-N 3.38Å; F123-I127 HydrophobicContact CE1-CG2 4.3Å; F123-I127 HydrophobicContact CE2-CB 4.41Å; F123-I127 HydrophobicContact CZ-CB 4.42Å; F123-I127 HydrophobicContact CZ-CG2 4.29Å; F123-I127 WeakPolarHBondContact O-CG2 3.41Å; F123-I127 PolarHBondContact O-N 2.99Å; F123-R166 VanDerWaalsContact CB-NH2 3.35Å; F123-I170 HydrophobicContact CD1-CG1 4.09Å; F123-I170 HydrophobicContact CD2-CG1 3.98Å; F123-I170 HydrophobicContact CD2-CG2 4.12Å; F123-I170 HydrophobicContact CE1-CG1 4.14Å; F123-I170 HydrophobicContact CE2-CB 4.26Å; F123-I170 HydrophobicContact CE2-CG1 4.06Å; F123-I170 HydrophobicContact CE2-CG2 3.73Å; F123-I170 HydrophobicContact CG-CD1 4.49Å; F123-I170 HydrophobicContact CG-CG1 4.01Å; F123-I170 HydrophobicContact CZ-CB 4.35Å; F123-I170 HydrophobicContact CZ-CG1 4.14Å; F123-I170 HydrophobicContact CZ-CG2 4.23Å; F123-E173 HydrophobicContact CE1-CB 4.29Å; F123-E173 VanDerWaalsContact CE1-OE2 3.25Å; F123-E173 WeakPolarHBondContact CE1-OE2 3.23Å; F123-E173 HydrophobicContact CZ-CB 3.87Å; F123-V174 HydrophobicContact CE2-CG2 3.79Å; F123-V174 HydrophobicContact CZ-CG2 4.18Å
124E90.7Very high87.1Confident75 Ų7537.9 Ų37.935%0.3521%0.209SC..Hα-helixtrans-63.3-38.6-178-6875-165.700111.2G121 S128 R166G121-E124 VanDerWaalsContact CA-OE2 3.26Å; G121-E124 WeakPolarHBondContact CA-OE2 3.26Å; G121-E124 PolarHBondContact N-OE2 3.02Å; E124-S128 WeakPolarHBondContact O-CB 3.45Å; E124-S128 PolarHBondContact O-N 2.71Å; E124-R166 IonicContact OE1-CZ 3.89Å; E124-R166 IonicContact OE1-NH1 3.84Å; E124-R166 PolarHBondContact OE1-NH1 2.82Å; E124-R166 IonicContact OE1-NH2 3.36Å; E124-R166 PolarHBondContact OE1-NH2 3.11Å; E124-R166 IonicContact OE2-NH2 2.88Å; E124-R166 PolarHBondContact OE2-NH2 3.38Å
125A87.6Confident86.5Confident43 Ų4339.3 Ų39.336%0.35522%0.216SC..Hα-helixtrans-62.6-48.1173.600000111.7G121 E122 F123 I127 S128 G131G121-A125 VanDerWaalsContact O-CB 3.28Å; G121-A125 WeakPolarHBondContact O-CB 3.41Å; G121-A125 PolarHBondContact O-N 2.77Å; E122-A125 PolarHBondContact O-N 3.07Å; F123-A125 VanDerWaalsContact C-N 3.32Å; F123-A125 PolarHBondContact O-N 3.18Å; A125-I127 PolarHBondContact O-N 2.9Å; A125-S128 WeakPolarHBondContact O-CB 3.29Å; A125-S128 PolarHBondContact O-N 3.4Å; A125-S128 PolarHBondContact O-OG 2.82Å; A125-G131 WeakPolarHBondContact O-CA 3.42Å
126G84.3Confident86Confident2 Ų239.4 Ų39.42%0.02122%0.216CC..Hα-helixtrans-66.9-34.7-17900000114E122 F123 G131 T133E122-G126 PolarHBondContact O-N 2.72Å; E122-G126 VanDerWaalsContact O-N 3.07Å; F123-G126 PolarHBondContact O-N 3.38Å; G126-G131 CarbonylContact O-C 3.57Å; G126-G131 VanDerWaalsContact O-CA 3.28Å; G126-G131 WeakPolarHBondContact O-CA 3.38Å; G126-T133 VanDerWaalsContact O-CB 3.26Å; G126-T133 WeakPolarHBondContact O-CB 3.07Å; G126-T133 PolarHBondContact O-N 2.72Å; G126-T133 PolarHBondContact O-OG1 3.36Å
127I86.2Confident85.7Confident13 Ų1339.2 Ų39.27%0.06722%0.215CC..Hα-helixtrans-91.2-0.8177.4-150.767.2000112.7F123 A125 R134 Y177F123-I127 HydrophobicContact CE1-CG2 4.3Å; F123-I127 HydrophobicContact CE2-CB 4.41Å; F123-I127 HydrophobicContact CZ-CB 4.42Å; F123-I127 HydrophobicContact CZ-CG2 4.29Å; F123-I127 WeakPolarHBondContact O-CG2 3.41Å; F123-I127 PolarHBondContact O-N 2.99Å; A125-I127 PolarHBondContact O-N 2.9Å; I127-R134 HydrophobicContact CD1-CG 3.89Å; I127-R134 HydrophobicContact CG1-CG 4.43Å; I127-R134 VanDerWaalsContact O-CD 3.28Å; I127-R134 WeakPolarHBondContact O-CD 3.5Å; I127-R134 PolarHBondContact O-NE 3.45Å; I127-R134 PolarHBondContact O-NH1 3.01Å; I127-R134 PolarHBondContact O-NH2 3.08Å; I127-Y177 HydrophobicContact CD1-CD1 4.28Å; I127-Y177 HydrophobicContact CD1-CG 4.19Å
128S84.6Confident85.2Confident44 Ų4440.2 Ų40.231%0.30822%0.219SC..SBendtrans-63.1168.9177.575.20000112E124 A125 N130 G131E124-S128 WeakPolarHBondContact O-CB 3.45Å; E124-S128 PolarHBondContact O-N 2.71Å; A125-S128 WeakPolarHBondContact O-CB 3.29Å; A125-S128 PolarHBondContact O-N 3.4Å; A125-S128 PolarHBondContact O-OG 2.82Å; S128-N130 PolarHBondContact O-N 3.14Å; S128-N130 PolarHBondContact OG-N 3.22Å; S128-G131 PolarHBondContact O-N 2.62Å; S128-G131 PolarHBondContact OG-N 2.95Å
129K74.4Confident84.7Confident190 Ų19040.7 Ų40.783%0.82622%0.221SC*.THydrogen-bonded Turntrans-58.3-28.4174-72.5-176.6-179.3177.50112.8
130N73.9Confident84.4Confident102 Ų10240.5 Ų40.555%0.54522%0.219SC..THydrogen-bonded Turntrans-95.2-4.1177.6-71.9-31.9000112.7R96 S128R96-N130 VanDerWaalsContact NH2-CB 3.32Å; R96-N130 PolarHBondContact NH2-O 3.24Å; S128-N130 PolarHBondContact O-N 3.14Å; S128-N130 PolarHBondContact OG-N 3.22Å
131G77Confident84.4Confident3 Ų340.4 Ų40.43%0.03121%0.209CC..  trans-74.9141.4-17700000112.2A125 G126 S128A125-G131 WeakPolarHBondContact O-CA 3.42Å; G126-G131 CarbonylContact O-C 3.57Å; G126-G131 VanDerWaalsContact O-CA 3.28Å; G126-G131 WeakPolarHBondContact O-CA 3.38Å; S128-G131 PolarHBondContact O-N 2.62Å; S128-G131 PolarHBondContact OG-N 2.95Å
132Q80.6Confident83.9Confident12 Ų1241.3 Ų41.36%0.05621%0.206CC..Hα-helixtrans-80.3-22.4-175-67.3147.4-22.100112.9H15 G94 R96 R134 E135 H136H15-Q132 PolarHBondContact CE1-OE1 3.42Å; H15-Q132 PolarHBondContact ND1-OE1 3.19Å; G94-Q132 PolarHBondContact O-NE2 3.02Å; G94-Q132 PolarHBondContact O-OE1 3.02Å; R96-Q132 HydrophobicContact CG-CG 4.29Å; Q132-R134 PolarHBondContact O-N 2.99Å; Q132-R134 VanDerWaalsContact O-N 3.16Å; Q132-E135 PolarHBondContact O-N 3.21Å; Q132-H136 VanDerWaalsContact O-CB 3.23Å; Q132-H136 WeakPolarHBondContact O-CB 3.44Å; Q132-H136 PolarHBondContact O-N 3.19Å
133T84.8Confident83.3Confident5 Ų538.6 Ų38.63%0.03119%0.194CC..Hα-helixtrans-54.4-38.5176.4-54.80000110.6H15 L114 V116 G126 A137H15-T133 WeakPolarHBondContact CB-OG1 3.48Å; L114-T133 HydrophobicContact CD1-CG2 3.8Å; L114-T133 HydrophobicContact CD2-CG2 4.06Å; L114-T133 HydrophobicContact CG-CG2 4.17Å; V116-T133 HydrophobicContact CG2-CG2 3.98Å; G126-T133 VanDerWaalsContact O-CB 3.26Å; G126-T133 WeakPolarHBondContact O-CB 3.07Å; G126-T133 PolarHBondContact O-N 2.72Å; G126-T133 PolarHBondContact O-OG1 3.36Å; T133-A137 WeakPolarHBondContact O-CB 3.43Å; T133-A137 PolarHBondContact O-N 2.94Å
134R83.1Confident82.6Confident73 Ų7339.7 Ų39.728%0.27521%0.206SC..Hα-helixtrans-68.1-51.6177.8-75.4-159.3164.8162.711.2112.8I127 Q132 A137 L138 Y177I127-R134 HydrophobicContact CD1-CG 3.89Å; I127-R134 HydrophobicContact CG1-CG 4.43Å; I127-R134 VanDerWaalsContact O-CD 3.28Å; I127-R134 WeakPolarHBondContact O-CD 3.5Å; I127-R134 PolarHBondContact O-NE 3.45Å; I127-R134 PolarHBondContact O-NH1 3.01Å; I127-R134 PolarHBondContact O-NH2 3.08Å; Q132-R134 PolarHBondContact O-N 2.99Å; Q132-R134 VanDerWaalsContact O-N 3.16Å; R134-A137 PolarHBondContact O-N 3.33Å; R134-L138 PolarHBondContact O-N 2.82Å; R134-L138 VanDerWaalsContact O-N 3.09Å; R134-Y177 VanDerWaalsContact CA-CE1 3.5Å; R134-Y177 WeakPolarHBondContact CA-OH 3.2Å; R134-Y177 HydrophobicContact CB-CE1 3.8Å; R134-Y177 HydrophobicContact CB-CE2 4.16Å; R134-Y177 VanDerWaalsContact CB-CZ 3.44Å; R134-Y177 WeakPolarHBondContact CB-OH 3.45Å; R134-Y177 HydrophobicContact CG-CD1 4.14Å; R134-Y177 HydrophobicContact CG-CD2 4.15Å; R134-Y177 HydrophobicContact CG-CE1 3.56Å; R134-Y177 HydrophobicContact CG-CE2 3.6Å; R134-Y177 HydrophobicContact CG-CG 4.42Å; R134-Y177 VanDerWaalsContact NE-CD2 3.26Å; R134-Y177 PolarHBondContact O-OH 2.78Å
135E82.3Confident82.4Confident33 Ų3336.3 Ų36.315%0.15419%0.191CC..Hα-helixtrans-61.6-45.9179.9-175.2164.9-149.600111.6I99 Q132 A137 L138 L139I99-E135 HydrophobicContact CD1-CG 4.48Å; I99-E135 WeakPolarHBondContact CD1-OE1 3.48Å; Q132-E135 PolarHBondContact O-N 3.21Å; E135-A137 PolarHBondContact O-N 3.43Å; E135-L138 PolarHBondContact O-N 3.4Å; E135-L139 HydrophobicContact CG-CD1 4.09Å; E135-L139 WeakPolarHBondContact O-CB 3.25Å; E135-L139 VanDerWaalsContact O-CG 3.3Å; E135-L139 WeakPolarHBondContact O-CG 3.14Å; E135-L139 PolarHBondContact O-N 3.23Å
136H86.3Confident82.4Confident1 Ų142 Ų421%0.00521%0.208CC..Hα-helixtrans-63.2-42.7179.4-70.1175.4000112.9I13 G14 M102 Q132 L138 L139 A140I13-H136 HydrophobicContact CB-CB 4.13Å; I13-H136 HydrophobicContact CD1-CB 4.21Å; G14-H136 PolarHBondContact N-ND1 3.13Å; G14-H136 PolarHBondContact O-CE1 3.27Å; G14-H136 PolarHBondContact O-ND1 2.95Å; M102-H136 HydrophobicContact CE-CB 3.41Å; M102-H136 VanDerWaalsContact CE-CB 3.41Å; M102-H136 HydrophobicContact SD-CB 4.18Å; M102-H136 PolarHBondContact SD-CD2 3.09Å; Q132-H136 VanDerWaalsContact O-CB 3.23Å; Q132-H136 WeakPolarHBondContact O-CB 3.44Å; Q132-H136 PolarHBondContact O-N 3.19Å; H136-L138 VanDerWaalsContact C-N 3.34Å; H136-L139 PolarHBondContact O-N 2.94Å; H136-A140 WeakPolarHBondContact O-CB 3.36Å; H136-A140 PolarHBondContact O-N 3.1Å
137A87.6Confident82.7Confident0 Ų043.3 Ų43.30%021%0.213CC..Hα-helixtrans-66.8-36.5176.600000111.9L114 T133 R134 E135 Y141 I181L114-A137 HydrophobicContact CD2-CB 4.29Å; T133-A137 WeakPolarHBondContact O-CB 3.43Å; T133-A137 PolarHBondContact O-N 2.94Å; R134-A137 PolarHBondContact O-N 3.33Å; E135-A137 PolarHBondContact O-N 3.43Å; A137-Y141 PolarHBondContact O-N 3.15Å; A137-Y141 VanDerWaalsContact O-N 3.15Å; A137-I181 HydrophobicContact CB-CD1 3.5Å
138L84.8Confident83.1Confident30 Ų3042.8 Ų42.816%0.15721%0.21CC..Hα-helixtrans-66.3-43.2174177.662000111.6R134 E135 H136 Y141 T142 I181 L345R134-L138 PolarHBondContact O-N 2.82Å; R134-L138 VanDerWaalsContact O-N 3.09Å; E135-L138 PolarHBondContact O-N 3.4Å; H136-L138 VanDerWaalsContact C-N 3.34Å; L138-Y141 PolarHBondContact O-N 3.36Å; L138-T142 WeakPolarHBondContact O-CB 3.26Å; L138-T142 PolarHBondContact O-N 2.82Å; L138-T142 PolarHBondContact O-OG1 2.8Å; L138-I181 HydrophobicContact CB-CD1 4.43Å; L138-I181 HydrophobicContact CD1-CG2 4.09Å; L138-L345 HydrophobicContact CD2-CD2 3.65Å; L138-L345 HydrophobicContact CG-CD2 4.47Å
139L83.1Confident83.7Confident9 Ų940.8 Ų40.85%0.04720%0.196CC..Hα-helixtrans-61.6-47.7176.4-74.8170.8000111.1I99 M102 I103 E135 H136 Y141 T142 L143 L345 L423I99-L139 HydrophobicContact CG2-CD1 3.87Å; M102-L139 HydrophobicContact SD-CD1 3.83Å; I103-L139 HydrophobicContact CD1-CD2 4.35Å; I103-L139 HydrophobicContact CG1-CD2 4.49Å; E135-L139 HydrophobicContact CG-CD1 4.09Å; E135-L139 WeakPolarHBondContact O-CB 3.25Å; E135-L139 VanDerWaalsContact O-CG 3.3Å; E135-L139 WeakPolarHBondContact O-CG 3.14Å; E135-L139 PolarHBondContact O-N 3.23Å; H136-L139 PolarHBondContact O-N 2.94Å; L139-Y141 VanDerWaalsContact C-N 3.32Å; L139-Y141 PolarHBondContact O-N 3.39Å; L139-T142 PolarHBondContact O-N 2.83Å; L139-L143 VanDerWaalsContact O-CB 3.3Å; L139-L143 WeakPolarHBondContact O-CB 3.28Å; L139-L143 VanDerWaalsContact O-CG 3.22Å; L139-L143 WeakPolarHBondContact O-CG 3.2Å; L139-L143 PolarHBondContact O-N 2.89Å; L139-L345 HydrophobicContact CD2-CD1 3.75Å; L139-L345 HydrophobicContact CG-CD1 4.48Å; L139-L423 HydrophobicContact CD2-CD1 4.39Å
140A86.8Confident84.7Confident0 Ų031.8 Ų31.80%016%0.157CC..Hα-helixtrans-57.2-44.3176.900000112.3I13 T106 A112 H136 L143 G144 V145I13-A140 HydrophobicContact CD1-CB 4.01Å; T106-A140 HydrophobicContact CG2-CB 4.17Å; A112-A140 HydrophobicContact CB-CB 4.16Å; H136-A140 WeakPolarHBondContact O-CB 3.36Å; H136-A140 PolarHBondContact O-N 3.1Å; A140-L143 CarbonylContact O-C 3.5Å; A140-L143 PolarHBondContact O-N 2.93Å; A140-G144 PolarHBondContact O-N 3.48Å; A140-V145 HydrophobicContact CB-CB 4.36Å; A140-V145 WeakPolarHBondContact O-CB 3.31Å; A140-V145 PolarHBondContact O-N 2.85Å
141Y85.8Confident85.8Confident95 Ų9526.9 Ų26.937%0.37313%0.131SC..Hα-helixtrans-65.4-44.5177.7-171.4-97.5000112.3A137 L138 L139 L143 G144 I181 G182 Y183A137-Y141 PolarHBondContact O-N 3.15Å; A137-Y141 VanDerWaalsContact O-N 3.15Å; L138-Y141 PolarHBondContact O-N 3.36Å; L139-Y141 VanDerWaalsContact C-N 3.32Å; L139-Y141 PolarHBondContact O-N 3.39Å; Y141-L143 VanDerWaalsContact C-N 3.28Å; Y141-L143 PolarHBondContact O-N 2.79Å; Y141-G144 WeakPolarHBondContact O-CA 3.38Å; Y141-G144 PolarHBondContact O-N 2.73Å; Y141-I181 VanDerWaalsContact CB-CG2 3.47Å; Y141-I181 HydrophobicContact CD1-CG2 3.98Å; Y141-I181 HydrophobicContact CD2-CG2 4.32Å; Y141-I181 HydrophobicContact CG-CG2 3.67Å; Y141-G182 VanDerWaalsContact CE2-C 3.47Å; Y141-Y183 WeakPolarHBondContact CA-OH 3.48Å; Y141-Y183 HydrophobicContact CD2-CD1 4.03Å; Y141-Y183 AromaticContact CD2-CD2 3.99Å; Y141-Y183 HydrophobicContact CD2-CD2 3.99Å; Y141-Y183 AromaticContact CD2-CE1 3.83Å; Y141-Y183 HydrophobicContact CD2-CE1 3.83Å; Y141-Y183 AromaticContact CD2-CE2 3.8Å; Y141-Y183 HydrophobicContact CD2-CE2 3.8Å; Y141-Y183 HydrophobicContact CD2-CG 4.1Å; Y141-Y183 AromaticContact CD2-CZ 3.7Å; Y141-Y183 HydrophobicContact CG-CE2 4.16Å; Y141-Y183 PolarHBondContact N-OH 3.34Å; Y141-Y183 VanDerWaalsContact N-OH 3.1Å
142T78.6Confident86.8Confident62 Ų6226.8 Ų26.838%0.3813%0.13SC..Hα-helixtrans-65.2-35.5179.4-52.60000111.1L138 L139 G144 I343L138-T142 WeakPolarHBondContact O-CB 3.26Å; L138-T142 PolarHBondContact O-N 2.82Å; L138-T142 PolarHBondContact O-OG1 2.8Å; L139-T142 PolarHBondContact O-N 2.83Å; T142-G144 PolarHBondContact O-N 2.9Å; T142-I343 HydrophobicContact CG2-CD1 4.32Å
143L76.6Confident87.5Confident14 Ų1426.4 Ų26.47%0.07313%0.128CC..THydrogen-bonded Turntrans-77.311.4172.3-65173.3000112.8I103 T106 L139 A140 Y141 V145 K421I103-L143 HydrophobicContact CB-CD1 4.29Å; I103-L143 HydrophobicContact CG1-CD1 4.15Å; I103-L143 HydrophobicContact CG2-CD1 4.03Å; I103-L143 HydrophobicContact CG2-CD2 4.19Å; T106-L143 HydrophobicContact CG2-CB 4.1Å; T106-L143 HydrophobicContact CG2-CD1 3.56Å; T106-L143 HydrophobicContact CG2-CG 4.48Å; L139-L143 VanDerWaalsContact O-CB 3.3Å; L139-L143 WeakPolarHBondContact O-CB 3.28Å; L139-L143 VanDerWaalsContact O-CG 3.22Å; L139-L143 WeakPolarHBondContact O-CG 3.2Å; L139-L143 PolarHBondContact O-N 2.89Å; A140-L143 CarbonylContact O-C 3.5Å; A140-L143 PolarHBondContact O-N 2.93Å; Y141-L143 VanDerWaalsContact C-N 3.28Å; Y141-L143 PolarHBondContact O-N 2.79Å; L143-V145 VanDerWaalsContact C-N 3.3Å; L143-V145 PolarHBondContact O-N 3.47Å; L143-K421 HydrophobicContact CB-CD 4.49Å; L143-K421 HydrophobicContact CD2-CB 4.18Å; L143-K421 HydrophobicContact CD2-CD 4.23Å; L143-K421 WeakPolarHBondContact O-CD 3.48Å; L143-K421 WeakPolarHBondContact O-CE 3.48Å; L143-K421 PolarHBondContact O-NZ 2.86Å
144G76.5Confident88Confident27 Ų2728.3 Ų28.328%0.27814%0.136SC..THydrogen-bonded Turntrans76.311171.300000115.1A140 Y141 T142 K146A140-G144 PolarHBondContact O-N 3.48Å; Y141-G144 WeakPolarHBondContact O-CA 3.38Å; Y141-G144 PolarHBondContact O-N 2.73Å; T142-G144 PolarHBondContact O-N 2.9Å; G144-K146 PolarHBondContact O-N 3.37Å
145V86.1Confident88.6Confident4 Ų424.9 Ų24.92%0.02412%0.123CC..  trans-76.392.4173.4-1720000108.2T106 A109 A112 A140 L143 Y183T106-V145 HydrophobicContact CG2-CG2 3.77Å; A109-V145 HydrophobicContact CB-CG2 4.31Å; A112-V145 HydrophobicContact CB-CG1 3.86Å; A140-V145 HydrophobicContact CB-CB 4.36Å; A140-V145 WeakPolarHBondContact O-CB 3.31Å; A140-V145 PolarHBondContact O-N 2.85Å; L143-V145 VanDerWaalsContact C-N 3.3Å; L143-V145 PolarHBondContact O-N 3.47Å; V145-Y183 WeakPolarHBondContact O-CE1 3.24Å; V145-Y183 PolarHBondContact O-OH 3.48Å
146K86.9Confident89.1Confident164 Ų16425.6 Ų25.671%0.71313%0.128SC*.  trans-81.9-17.9-174.7-66.7-178.7-176.81770113.6G144G144-K146 PolarHBondContact O-N 3.37Å
147Q91Very high89.4Confident29 Ų2927.9 Ų27.914%0.13614%0.144CC..EExtended strand (participates in β ladder)trans-97.4127.7177.4-60.9-168.885.300110.2C111 A112 L236C111-Q147 HydrophobicContact CB-CB 4.08Å; C111-Q147 PolarHBondContact SG-O 3.33Å; A112-Q147 PolarHBondContact N-O 2.81Å; Q147-L236 PolarHBondContact NE2-O 3.15Å
148L94.9Very high89.7Confident1 Ų128 Ų281%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-132.9137.4-178.1-174.670000109.7A112 L114 V150 I178 Y183 V188A112-L148 HydrophobicContact CB-CD1 3.8Å; A112-L148 WeakPolarHBondContact O-CA 3.36Å; L114-L148 HydrophobicContact CB-CD1 3.97Å; L148-V150 HydrophobicContact CD2-CG2 4.33Å; L148-V150 HydrophobicContact CG-CG2 4.42Å; L148-I178 HydrophobicContact CD2-CB 4.45Å; L148-I178 HydrophobicContact CD2-CG2 3.98Å; L148-Y183 HydrophobicContact CB-CD1 4.05Å; L148-Y183 HydrophobicContact CB-CE1 3.89Å; L148-Y183 HydrophobicContact CD2-CD1 4.41Å; L148-Y183 HydrophobicContact CD2-CD2 3.97Å; L148-Y183 HydrophobicContact CD2-CE1 4.49Å; L148-Y183 HydrophobicContact CD2-CE2 4.04Å; L148-Y183 HydrophobicContact CD2-CG 4.16Å; L148-V188 HydrophobicContact CB-CG1 4.49Å; L148-V188 HydrophobicContact CB-CG2 4.07Å; L148-V188 HydrophobicContact CD2-CG1 4.45Å; L148-V188 HydrophobicContact CD2-CG2 4.47Å; L148-V188 HydrophobicContact CG-CG1 4.38Å; L148-V188 WeakPolarHBondContact O-CG1 3.43Å
149I96.3Very high90Very high3 Ų334.4 Ų34.42%0.01517%0.174CC..EExtended strand (participates in β ladder)trans-120.7138.1168.6-63.3166.2000107A112 V113 L114 A189 V191 L228 A231 L232 I235A112-I149 PolarHBondContact O-N 3.29Å; V113-I149 CarbonylContact C-O 3.28Å; V113-I149 WeakPolarHBondContact CA-O 3.48Å; V113-I149 HydrophobicContact CG2-CB 4.38Å; L114-I149 PolarHBondContact N-O 2.83Å; I149-A189 HydrophobicContact CG2-CB 4.49Å; I149-V191 HydrophobicContact CG2-CG2 4.47Å; I149-L228 HydrophobicContact CG2-CD1 3.95Å; I149-A231 HydrophobicContact CD1-CB 4.13Å; I149-A231 WeakPolarHBondContact CD1-O 2.88Å; I149-A231 HydrophobicContact CG2-CB 4.09Å; I149-L232 HydrophobicContact CD1-CD2 3.85Å; I149-I235 HydrophobicContact CD1-CD1 4.14Å; I149-I235 HydrophobicContact CD1-CG1 4.04Å
150V96.9Very high90.4Very high0 Ų038.2 Ų38.20%020%0.2CC..EExtended strand (participates in β ladder)trans-112.6115.4178.2179.20000109.3L114 V116 L148 V152 V174 V188 A189 F190 V191L114-V150 HydrophobicContact CB-CG2 4.38Å; L114-V150 HydrophobicContact CD2-CG2 4.36Å; L114-V150 CarbonylContact O-C 3.52Å; L114-V150 WeakPolarHBondContact O-CA 3.3Å; V116-V150 HydrophobicContact CG2-CG1 4.06Å; L148-V150 HydrophobicContact CD2-CG2 4.33Å; L148-V150 HydrophobicContact CG-CG2 4.42Å; V150-V152 HydrophobicContact CG1-CG2 4.32Å; V150-V174 HydrophobicContact CG1-CG1 4.29Å; V150-V174 HydrophobicContact CG2-CG1 4.32Å; V150-V188 HydrophobicContact CB-CG1 4.43Å; V150-V188 HydrophobicContact CG2-CG1 3.68Å; V150-A189 PolarHBondContact N-O 2.86Å; V150-F190 HydrophobicContact CB-CD1 3.65Å; V150-F190 HydrophobicContact CB-CE1 3.84Å; V150-F190 HydrophobicContact CB-CG 4.29Å; V150-F190 HydrophobicContact CG1-CD1 3.69Å; V150-F190 HydrophobicContact CG1-CE1 3.85Å; V150-F190 HydrophobicContact CG2-CD1 4.19Å; V150-F190 HydrophobicContact CG2-CE1 3.86Å; V150-F190 HydrophobicContact CG2-CZ 4.28Å; V150-F190 CarbonylContact O-C 3.54Å; V150-F190 WeakPolarHBondContact O-CA 3.04Å; V150-V191 PolarHBondContact O-N 3.25Å
151G96.6Very high90.7Very high0 Ų042.3 Ų42.30%023%0.226CC..EExtended strand (participates in β ladder)trans-95109.1170.900000110.2L114 I115 V116 N153 V191L114-G151 PolarHBondContact O-N 2.71Å; I115-G151 WeakPolarHBondContact CA-O 3.36Å; V116-G151 PolarHBondContact N-O 3.41Å; G151-N153 PolarHBondContact O-N 3.49Å; G151-V191 CarbonylContact C-O 3.59Å; G151-V191 WeakPolarHBondContact CA-O 3.3Å
152V96.8Very high91.1Very high0 Ų039.3 Ų39.30%021%0.214CC..EExtended strand (participates in β ladder)trans-82.594.3173-177.40000107.5V116 A118 V150 M155 Y167 I170 V191 I193V116-V152 CarbonylContact O-C 3.53Å; V116-V152 WeakPolarHBondContact O-CA 3.2Å; A118-V152 HydrophobicContact CB-CG1 3.86Å; V150-V152 HydrophobicContact CG1-CG2 4.32Å; V152-M155 HydrophobicContact CG1-SD 3.84Å; V152-M155 WeakPolarHBondContact O-CG 3.36Å; V152-Y167 HydrophobicContact CB-CD2 4.07Å; V152-Y167 HydrophobicContact CB-CE2 4.27Å; V152-Y167 HydrophobicContact CG1-CD2 4.17Å; V152-Y167 HydrophobicContact CG2-CD2 4.06Å; V152-Y167 HydrophobicContact CG2-CE2 3.98Å; V152-I170 HydrophobicContact CG1-CD1 3.93Å; V152-I170 HydrophobicContact CG1-CG2 4.08Å; V152-I170 HydrophobicContact CG2-CG2 3.95Å; V152-V191 PolarHBondContact N-O 3.32Å; V152-I193 PolarHBondContact O-N 2.86Å
153N95.9Very high91.9Very high5 Ų537.2 Ų37.23%0.02720%0.202CC..EExtended strand (participates in β ladder)trans-90.4165.2-171.2-167.425000112.6S18 T23 I115 V116 A117 A118 G151 M155 I193 G195S18-N153 PolarHBondContact O-ND2 3.47Å; T23-N153 PolarHBondContact OG1-ND2 3.47Å; I115-N153 HydrophobicContact CG2-CB 3.66Å; V116-N153 PolarHBondContact O-N 2.97Å; A117-N153 CarbonylContact C-O 3.47Å; A118-N153 VanDerWaalsContact CB-O 3.26Å; A118-N153 WeakPolarHBondContact CB-O 3.49Å; A118-N153 PolarHBondContact N-O 3.21Å; G151-N153 PolarHBondContact O-N 3.49Å; N153-M155 VanDerWaalsContact C-N 3.31Å; N153-M155 PolarHBondContact O-N 2.85Å; N153-I193 CarbonylContact C-O 3.58Å; N153-I193 WeakPolarHBondContact CA-O 3.42Å; N153-I193 HydrophobicContact CB-CD1 4.27Å; N153-I193 HydrophobicContact CB-CG1 3.99Å; N153-G195 PolarHBondContact OD1-N 2.97Å
154K95.1Very high92.8Very high45 Ų4540.4 Ų40.420%0.19622%0.217CC..  trans59.338.6-176.1-49.2-170.7-174174.50113D17 A117 E122 D156 S157 I193D17-K154 WeakPolarHBondContact O-CE 3.48Å; D17-K154 PolarHBondContact O-NZ 3.5Å; A117-K154 HydrophobicContact CB-CD 4.5Å; E122-K154 IonicContact OE1-NZ 3.66Å; E122-K154 PolarHBondContact OE1-NZ 2.8Å; E122-K154 VanDerWaalsContact OE2-CD 3.31Å; E122-K154 WeakPolarHBondContact OE2-CD 3.47Å; E122-K154 WeakPolarHBondContact OE2-CE 3.21Å; E122-K154 IonicContact OE2-NZ 3.8Å; E122-K154 PolarHBondContact OE2-NZ 3.19Å; K154-D156 WeakPolarHBondContact CA-OD1 3.34Å; K154-D156 PolarHBondContact O-N 3.35Å; K154-S157 WeakPolarHBondContact CB-OG 3.33Å; K154-S157 PolarHBondContact O-N 2.93Å; K154-S157 PolarHBondContact O-OG 2.61Å; K154-I193 PolarHBondContact N-O 3.05Å
155M95.8Very high93.7Very high0 Ų047.2 Ų47.20%024%0.238CC..G310 helixtrans-61.1-25.3174.5-74.4-61.9-55.400112.7A118 V152 N153 S157 T158 Y162 P192 I193 M208 W210A118-M155 HydrophobicContact CB-SD 3.8Å; V152-M155 HydrophobicContact CG1-SD 3.84Å; V152-M155 WeakPolarHBondContact O-CG 3.36Å; N153-M155 VanDerWaalsContact C-N 3.31Å; N153-M155 PolarHBondContact O-N 2.85Å; M155-S157 PolarHBondContact O-N 3.23Å; M155-T158 HydrophobicContact CE-CG2 4.35Å; M155-T158 PolarHBondContact O-N 2.83Å; M155-T158 PolarHBondContact O-OG1 2.8Å; M155-T158 VanDerWaalsContact O-OG1 3.08Å; M155-T158 HydrophobicContact SD-CG2 4.28Å; M155-Y162 HydrophobicContact CB-CD1 3.84Å; M155-Y162 HydrophobicContact CB-CE1 4.24Å; M155-Y162 WeakPolarHBondContact O-CA 3.28Å; M155-Y162 PolarHBondContact O-N 3.19Å; M155-P192 HydrophobicContact CG-CB 3.88Å; M155-P192 HydrophobicContact SD-CB 4.23Å; M155-I193 PolarHBondContact N-O 3.31Å; M155-M208 HydrophobicContact CB-SD 4.23Å; M155-M208 HydrophobicContact CE-SD 4.47Å; M155-M208 HydrophobicContact CG-SD 4.28Å; M155-W210 HydrophobicContact CE-CH2 4.19Å; M155-W210 HydrophobicContact CE-CZ2 3.93Å
156D93.1Very high94.2Very high48 Ų4848 Ų4826%0.25724%0.241SC..G310 helixtrans-64.6-26.517355.2-70.6000113.3K154 P161 Y162 S194 N197K154-D156 WeakPolarHBondContact CA-OD1 3.34Å; K154-D156 PolarHBondContact O-N 3.35Å; D156-P161 WeakPolarHBondContact O-CB 3.48Å; D156-Y162 HydrophobicContact CB-CE1 4.21Å; D156-Y162 HydrophobicContact CB-CE2 4.18Å; D156-Y162 WeakPolarHBondContact CB-OH 3.39Å; D156-S194 VanDerWaalsContact OD1-CB 3.29Å; D156-S194 WeakPolarHBondContact OD1-CB 3.41Å; D156-S194 PolarHBondContact OD1-OG 2.79Å; D156-N197 WeakPolarHBondContact CB-ND2 3.46Å
157S92.8Very high94.6Very high49 Ų4941.4 Ų41.434%0.34321%0.212SC..G310 helixtrans-96.910.7-177.880.60000113.7K154 M155K154-S157 WeakPolarHBondContact CB-OG 3.33Å; K154-S157 PolarHBondContact O-N 2.93Å; K154-S157 PolarHBondContact O-OG 2.61Å; M155-S157 PolarHBondContact O-N 3.23Å
158T93.4Very high94.9Very high4 Ų444.9 Ų44.93%0.02523%0.228CC..SBendtrans-74.8162.1173.763.60000110.2A118 M155 P160 P161 Y162 S163 R166A118-T158 HydrophobicContact CB-CG2 3.6Å; M155-T158 HydrophobicContact CE-CG2 4.35Å; M155-T158 PolarHBondContact O-N 2.83Å; M155-T158 PolarHBondContact O-OG1 2.8Å; M155-T158 VanDerWaalsContact O-OG1 3.08Å; M155-T158 HydrophobicContact SD-CG2 4.28Å; T158-P160 VanDerWaalsContact C-C 3.4Å; T158-P160 CarbonylContact C-O 3.15Å; T158-P160 WeakPolarHBondContact CB-O 3.42Å; T158-P160 CarbonylContact O-C 3.53Å; T158-P160 VanDerWaalsContact O-O 3.07Å; T158-P160 PolarHBondContact OG1-O 2.85Å; T158-P161 VanDerWaalsContact O-CA 3.27Å; T158-P161 WeakPolarHBondContact O-CA 3.44Å; T158-Y162 PolarHBondContact OG1-N 3.29Å; T158-S163 PolarHBondContact OG1-N 3.05Å; T158-R166 HydrophobicContact CG2-CB 4.37Å; T158-R166 HydrophobicContact CG2-CG 3.94Å
159E90.6Very high94.9Very high163 Ų16349 Ų4976%0.76225%0.247SC*.SBendtrans-115.7108.6175.1-67-178.8-171.800109.7
160P92.8Very high94.8Very high90 Ų9048.9 Ų48.958%0.58425%0.247SC*.SBendcis-68.2164.4-7.931.3-36.7000113T158 S163T158-P160 VanDerWaalsContact C-C 3.4Å; T158-P160 CarbonylContact C-O 3.15Å; T158-P160 WeakPolarHBondContact CB-O 3.42Å; T158-P160 CarbonylContact O-C 3.53Å; T158-P160 VanDerWaalsContact O-O 3.07Å; T158-P160 PolarHBondContact OG1-O 2.85Å; P160-S163 WeakPolarHBondContact O-CB 3.36Å; P160-S163 PolarHBondContact O-N 2.99Å
161P93Very high94.8Very high85 Ų8550.3 Ų50.355%0.55226%0.255SS*.THydrogen-bonded Turntrans-55.3140177.6-28.936.6000112.3D156 T158 S163D156-P161 WeakPolarHBondContact O-CB 3.48Å; T158-P161 VanDerWaalsContact O-CA 3.27Å; T158-P161 WeakPolarHBondContact O-CA 3.44Å; P161-S163 VanDerWaalsContact C-N 3.31Å; P161-S163 PolarHBondContact O-N 2.77Å
162Y93.9Very high94.7Very high33 Ų3357.7 Ų57.713%0.12929%0.287CS..THydrogen-bonded Turntrans56.638.6-177.9-54.2-82.1000114.2M155 D156 T158 Q164 N197 D199 N207 M208 W210M155-Y162 HydrophobicContact CB-CD1 3.84Å; M155-Y162 HydrophobicContact CB-CE1 4.24Å; M155-Y162 WeakPolarHBondContact O-CA 3.28Å; M155-Y162 PolarHBondContact O-N 3.19Å; D156-Y162 HydrophobicContact CB-CE1 4.21Å; D156-Y162 HydrophobicContact CB-CE2 4.18Å; D156-Y162 WeakPolarHBondContact CB-OH 3.39Å; T158-Y162 PolarHBondContact OG1-N 3.29Å; Y162-Q164 PolarHBondContact O-N 2.78Å; Y162-N197 PolarHBondContact OH-ND2 3.11Å; Y162-D199 HydrophobicContact CE1-CB 4.36Å; Y162-D199 PolarHBondContact OH-OD2 3.08Å; Y162-N207 HydrophobicContact CD1-CB 3.95Å; Y162-N207 HydrophobicContact CD2-CB 3.73Å; Y162-N207 HydrophobicContact CE1-CB 3.91Å; Y162-N207 HydrophobicContact CE2-CB 3.69Å; Y162-N207 HydrophobicContact CG-CB 3.85Å; Y162-M208 HydrophobicContact CD1-CE 4.01Å; Y162-M208 HydrophobicContact CD1-CG 3.68Å; Y162-M208 HydrophobicContact CD1-SD 3.88Å; Y162-M208 HydrophobicContact CE1-CE 4.24Å; Y162-M208 HydrophobicContact CG-CG 4.13Å; Y162-W210 PolarHBondContact O-NE1 2.85Å
163S95.3Very high94.5Very high17 Ų1761.6 Ų61.612%0.11931%0.305CS..  trans-69.6116.7-176.5174.20000112.8T158 P160 P161 K165 R166 Y167T158-S163 PolarHBondContact OG1-N 3.05Å; P160-S163 WeakPolarHBondContact O-CB 3.36Å; P160-S163 PolarHBondContact O-N 2.99Å; P161-S163 VanDerWaalsContact C-N 3.31Å; P161-S163 PolarHBondContact O-N 2.77Å; S163-K165 VanDerWaalsContact C-N 3.31Å; S163-K165 PolarHBondContact O-N 2.9Å; S163-R166 PolarHBondContact O-N 2.77Å; S163-R166 PolarHBondContact OG-N 3.45Å; S163-Y167 PolarHBondContact O-N 3Å; S163-Y167 VanDerWaalsContact O-N 3.15Å
164Q95.7Very high94.4Very high82 Ų8261.4 Ų61.438%0.38331%0.305SS..Hα-helixtrans-57.4-43.9172.3-179.5175.8-3.500112Y162 R166 Y167 E168 W210Y162-Q164 PolarHBondContact O-N 2.78Å; Q164-R166 VanDerWaalsContact C-N 3.31Å; Q164-R166 PolarHBondContact O-N 2.76Å; Q164-Y167 WeakPolarHBondContact O-CB 3.43Å; Q164-Y167 PolarHBondContact O-N 2.97Å; Q164-E168 HydrophobicContact CG-CG 4.33Å; Q164-E168 WeakPolarHBondContact CG-OE1 3.48Å; Q164-E168 PolarHBondContact NE2-OE1 3.4Å; Q164-E168 WeakPolarHBondContact O-CG 3.46Å; Q164-E168 PolarHBondContact O-N 3.44Å; Q164-W210 HydrophobicContact CB-CD2 3.55Å; Q164-W210 HydrophobicContact CB-CE3 3.8Å; Q164-W210 HydrophobicContact CB-CG 3.9Å; Q164-W210 HydrophobicContact CB-CH2 4.44Å; Q164-W210 HydrophobicContact CB-CZ2 4.21Å; Q164-W210 HydrophobicContact CB-CZ3 4.24Å; Q164-W210 HydrophobicContact CG-CD2 3.82Å; Q164-W210 HydrophobicContact CG-CE3 3.56Å; Q164-W210 HydrophobicContact CG-CG 4.27Å; Q164-W210 HydrophobicContact CG-CZ3 4.02Å
165K95.9Very high94.4Very high170 Ų17060.4 Ų60.474%0.73930%0.303SS*.Hα-helixtrans-60.5-41.8-177.7-175.6-177.9176.9-173.70111.5S163 E169S163-K165 VanDerWaalsContact C-N 3.31Å; S163-K165 PolarHBondContact O-N 2.9Å; K165-E169 PolarHBondContact O-N 2.79Å; K165-E169 VanDerWaalsContact O-N 3.11Å
166R94.9Very high94.3Very high21 Ų2163.7 Ų63.78%0.07932%0.323CS..Hα-helixtrans-67.8-42177.7-178.554.1171.3-177.9-4.1111.3A118 G119 F123 E124 T158 S163 Q164 E169 I170A118-R166 PolarHBondContact O-NE 2.8Å; G119-R166 PolarHBondContact O-NH2 2.91Å; F123-R166 VanDerWaalsContact CB-NH2 3.35Å; E124-R166 IonicContact OE1-CZ 3.89Å; E124-R166 IonicContact OE1-NH1 3.84Å; E124-R166 PolarHBondContact OE1-NH1 2.82Å; E124-R166 IonicContact OE1-NH2 3.36Å; E124-R166 PolarHBondContact OE1-NH2 3.11Å; E124-R166 IonicContact OE2-NH2 2.88Å; E124-R166 PolarHBondContact OE2-NH2 3.38Å; T158-R166 HydrophobicContact CG2-CB 4.37Å; T158-R166 HydrophobicContact CG2-CG 3.94Å; S163-R166 PolarHBondContact O-N 2.77Å; S163-R166 PolarHBondContact OG-N 3.45Å; Q164-R166 VanDerWaalsContact C-N 3.31Å; Q164-R166 PolarHBondContact O-N 2.76Å; R166-E169 WeakPolarHBondContact CD-OE2 3.4Å; R166-E169 IonicContact CZ-OE2 3.96Å; R166-E169 IonicContact NH1-OE1 2.85Å; R166-E169 IonicContact NH1-OE2 3.33Å; R166-E169 PolarHBondContact NH1-OE2 2.83Å; R166-E169 PolarHBondContact O-N 3.39Å; R166-I170 HydrophobicContact CG-CD1 3.96Å; R166-I170 WeakPolarHBondContact O-CD1 2.96Å; R166-I170 VanDerWaalsContact O-CG1 3.3Å; R166-I170 WeakPolarHBondContact O-CG1 3.33Å; R166-I170 PolarHBondContact O-N 3.1Å
167Y96.4Very high94.1Very high24 Ų2463.3 Ų63.39%0.09432%0.319CS..Hα-helixtrans-59.2-48174.5169-99.6000111.9V152 S163 Q164 E169 I170 V171 F190 P192 W210 F211V152-Y167 HydrophobicContact CB-CD2 4.07Å; V152-Y167 HydrophobicContact CB-CE2 4.27Å; V152-Y167 HydrophobicContact CG1-CD2 4.17Å; V152-Y167 HydrophobicContact CG2-CD2 4.06Å; V152-Y167 HydrophobicContact CG2-CE2 3.98Å; S163-Y167 PolarHBondContact O-N 3Å; S163-Y167 VanDerWaalsContact O-N 3.15Å; Q164-Y167 WeakPolarHBondContact O-CB 3.43Å; Q164-Y167 PolarHBondContact O-N 2.97Å; Y167-E169 VanDerWaalsContact C-N 3.33Å; Y167-E169 PolarHBondContact O-N 3.45Å; Y167-I170 PolarHBondContact O-N 3.47Å; Y167-V171 HydrophobicContact CD1-CG2 4.19Å; Y167-V171 HydrophobicContact CD2-CG2 4.04Å; Y167-V171 HydrophobicContact CE1-CG2 3.79Å; Y167-V171 HydrophobicContact CE2-CG2 3.63Å; Y167-V171 HydrophobicContact CG-CG2 4.32Å; Y167-V171 VanDerWaalsContact CZ-CG2 3.5Å; Y167-V171 VanDerWaalsContact O-CG2 3.28Å; Y167-V171 WeakPolarHBondContact O-CG2 3.39Å; Y167-V171 PolarHBondContact O-N 2.72Å; Y167-F190 PolarHBondContact OH-O 2.66Å; Y167-P192 HydrophobicContact CD2-CB 3.66Å; Y167-P192 HydrophobicContact CD2-CG 4.21Å; Y167-P192 HydrophobicContact CE2-CB 3.7Å; Y167-P192 HydrophobicContact CE2-CG 3.86Å; Y167-P192 HydrophobicContact CG-CB 4.42Å; Y167-W210 AromaticContact CD1-CH2 3.75Å; Y167-W210 HydrophobicContact CD1-CH2 3.75Å; Y167-W210 AromaticContact CD1-CZ3 3.57Å; Y167-W210 HydrophobicContact CD1-CZ3 3.57Å; Y167-W210 HydrophobicContact CD2-CH2 4.46Å; Y167-W210 HydrophobicContact CE1-CH2 4.5Å; Y167-W210 HydrophobicContact CE1-CZ3 4.09Å; Y167-W210 AromaticContact CG-CH2 3.71Å; Y167-W210 HydrophobicContact CG-CH2 3.71Å; Y167-W210 HydrophobicContact CG-CZ3 4.05Å; Y167-F211 HydrophobicContact CE1-CD2 4.39Å; Y167-F211 HydrophobicContact CE1-CE2 4.36Å; Y167-F211 WeakPolarHBondContact OH-CE2 3.43Å
168E95.9Very high94Very high103 Ų10361 Ų6148%0.48130%0.302SS..Hα-helixtrans-62.7-38.2179.9-72174.5-179.700112.8Q164 K172Q164-E168 HydrophobicContact CG-CG 4.33Å; Q164-E168 WeakPolarHBondContact CG-OE1 3.48Å; Q164-E168 PolarHBondContact NE2-OE1 3.4Å; Q164-E168 WeakPolarHBondContact O-CG 3.46Å; Q164-E168 PolarHBondContact O-N 3.44Å; E168-K172 WeakPolarHBondContact O-CB 3.3Å; E168-K172 PolarHBondContact O-N 3.37Å
169E95.3Very high94Very high88 Ų8867.7 Ų67.741%0.41133%0.331SS..Hα-helixtrans-59.1-52.1172.5178.5-177.3-149.200111.3K165 R166 Y167 V171 K172 E173K165-E169 PolarHBondContact O-N 2.79Å; K165-E169 VanDerWaalsContact O-N 3.11Å; R166-E169 WeakPolarHBondContact CD-OE2 3.4Å; R166-E169 IonicContact CZ-OE2 3.96Å; R166-E169 IonicContact NH1-OE1 2.85Å; R166-E169 IonicContact NH1-OE2 3.33Å; R166-E169 PolarHBondContact NH1-OE2 2.83Å; R166-E169 PolarHBondContact O-N 3.39Å; Y167-E169 VanDerWaalsContact C-N 3.33Å; Y167-E169 PolarHBondContact O-N 3.45Å; E169-V171 PolarHBondContact O-N 2.8Å; E169-K172 PolarHBondContact O-N 2.94Å; E169-E173 PolarHBondContact O-N 3.24Å
170I95.3Very high93.8Very high0 Ų065 Ų650%032%0.317CS..Hα-helixtrans-59.7-46.9178.8-68.7164.8000110.5V116 A118 F123 V152 R166 Y167 K172 E173 V174V116-I170 HydrophobicContact CG1-CG2 4.06Å; A118-I170 HydrophobicContact CB-CD1 3.75Å; F123-I170 HydrophobicContact CD1-CG1 4.09Å; F123-I170 HydrophobicContact CD2-CG1 3.98Å; F123-I170 HydrophobicContact CD2-CG2 4.12Å; F123-I170 HydrophobicContact CE1-CG1 4.14Å; F123-I170 HydrophobicContact CE2-CB 4.26Å; F123-I170 HydrophobicContact CE2-CG1 4.06Å; F123-I170 HydrophobicContact CE2-CG2 3.73Å; F123-I170 HydrophobicContact CG-CD1 4.49Å; F123-I170 HydrophobicContact CG-CG1 4.01Å; F123-I170 HydrophobicContact CZ-CB 4.35Å; F123-I170 HydrophobicContact CZ-CG1 4.14Å; F123-I170 HydrophobicContact CZ-CG2 4.23Å; V152-I170 HydrophobicContact CG1-CD1 3.93Å; V152-I170 HydrophobicContact CG1-CG2 4.08Å; V152-I170 HydrophobicContact CG2-CG2 3.95Å; R166-I170 HydrophobicContact CG-CD1 3.96Å; R166-I170 WeakPolarHBondContact O-CD1 2.96Å; R166-I170 VanDerWaalsContact O-CG1 3.3Å; R166-I170 WeakPolarHBondContact O-CG1 3.33Å; R166-I170 PolarHBondContact O-N 3.1Å; Y167-I170 PolarHBondContact O-N 3.47Å; I170-K172 VanDerWaalsContact C-N 3.3Å; I170-K172 PolarHBondContact O-N 3.45Å; I170-E173 PolarHBondContact O-N 3.44Å; I170-V174 HydrophobicContact CG2-CG2 4Å; I170-V174 WeakPolarHBondContact O-CB 3.38Å; I170-V174 VanDerWaalsContact O-CG2 3.24Å; I170-V174 WeakPolarHBondContact O-CG2 3.27Å; I170-V174 PolarHBondContact O-N 2.86Å
171V95.5Very high93.5Very high30 Ų3061.5 Ų61.518%0.18229%0.293CS..Hα-helixtrans-58.1-44.3178.4170.70000110.5Y167 E169 S175 F190Y167-V171 HydrophobicContact CD1-CG2 4.19Å; Y167-V171 HydrophobicContact CD2-CG2 4.04Å; Y167-V171 HydrophobicContact CE1-CG2 3.79Å; Y167-V171 HydrophobicContact CE2-CG2 3.63Å; Y167-V171 HydrophobicContact CG-CG2 4.32Å; Y167-V171 VanDerWaalsContact CZ-CG2 3.5Å; Y167-V171 VanDerWaalsContact O-CG2 3.28Å; Y167-V171 WeakPolarHBondContact O-CG2 3.39Å; Y167-V171 PolarHBondContact O-N 2.72Å; E169-V171 PolarHBondContact O-N 2.8Å; V171-S175 WeakPolarHBondContact O-CA 3.36Å; V171-S175 WeakPolarHBondContact O-CB 3.18Å; V171-S175 PolarHBondContact O-N 2.53Å; V171-S175 PolarHBondContact O-OG 2.88Å; V171-F190 HydrophobicContact CB-CD1 4.32Å; V171-F190 HydrophobicContact CG1-CD1 4.16Å; V171-F190 HydrophobicContact CG1-CD2 4.27Å; V171-F190 HydrophobicContact CG1-CE1 4.38Å; V171-F190 HydrophobicContact CG1-CE2 4.5Å; V171-F190 HydrophobicContact CG1-CG 4.09Å; V171-F190 HydrophobicContact CG2-CB 3.97Å; V171-F190 HydrophobicContact CG2-CD1 3.84Å; V171-F190 HydrophobicContact CG2-CG 4.04Å
172K95.4Very high93.2Very high154 Ų15459 Ų5967%0.6728%0.283SS*.Hα-helixtrans-64-45.7179.5-176.3-179.7179.5-178.30112.2E168 E169 I170 T176E168-K172 WeakPolarHBondContact O-CB 3.3Å; E168-K172 PolarHBondContact O-N 3.37Å; E169-K172 PolarHBondContact O-N 2.94Å; I170-K172 VanDerWaalsContact C-N 3.3Å; I170-K172 PolarHBondContact O-N 3.45Å; K172-T176 WeakPolarHBondContact O-CB 3.48Å; K172-T176 PolarHBondContact O-N 3.15Å; K172-T176 PolarHBondContact O-OG1 2.59Å
173E93.1Very high93.2Very high82 Ų8257.8 Ų57.838%0.38328%0.278SS..Hα-helixtrans-67.6-48.2179.8-74.6-154.6178.100112.4F123 E169 I170 S175 T176 Y177F123-E173 HydrophobicContact CE1-CB 4.29Å; F123-E173 VanDerWaalsContact CE1-OE2 3.25Å; F123-E173 WeakPolarHBondContact CE1-OE2 3.23Å; F123-E173 HydrophobicContact CZ-CB 3.87Å; E169-E173 PolarHBondContact O-N 3.24Å; I170-E173 PolarHBondContact O-N 3.44Å; E173-S175 PolarHBondContact O-N 2.64Å; E173-T176 WeakPolarHBondContact O-CB 3.37Å; E173-T176 PolarHBondContact O-N 2.87Å; E173-Y177 WeakPolarHBondContact O-CB 3.45Å; E173-Y177 PolarHBondContact O-N 2.81Å
174V93.9Very high93Very high2 Ų260.7 Ų60.71%0.01229%0.292CS..Hα-helixtrans-64.2-42178.21770000110.1V116 F123 V150 I170 T176 Y177 I178 F190V116-V174 HydrophobicContact CG1-CG2 4.39Å; V116-V174 HydrophobicContact CG2-CG2 4.47Å; F123-V174 HydrophobicContact CE2-CG2 3.79Å; F123-V174 HydrophobicContact CZ-CG2 4.18Å; V150-V174 HydrophobicContact CG1-CG1 4.29Å; V150-V174 HydrophobicContact CG2-CG1 4.32Å; I170-V174 HydrophobicContact CG2-CG2 4Å; I170-V174 WeakPolarHBondContact O-CB 3.38Å; I170-V174 VanDerWaalsContact O-CG2 3.24Å; I170-V174 WeakPolarHBondContact O-CG2 3.27Å; I170-V174 PolarHBondContact O-N 2.86Å; V174-T176 VanDerWaalsContact C-N 3.34Å; V174-T176 PolarHBondContact O-N 3.35Å; V174-Y177 CarbonylContact O-C 3.56Å; V174-Y177 WeakPolarHBondContact O-CA 3.39Å; V174-Y177 WeakPolarHBondContact O-CB 3.44Å; V174-Y177 PolarHBondContact O-N 3.19Å; V174-I178 HydrophobicContact CG1-CG2 4.01Å; V174-I178 WeakPolarHBondContact O-CG1 3.4Å; V174-I178 WeakPolarHBondContact O-CG2 3.27Å; V174-I178 PolarHBondContact O-N 3.02Å; V174-F190 HydrophobicContact CB-CE1 4.04Å; V174-F190 HydrophobicContact CG1-CE1 3.82Å; V174-F190 HydrophobicContact CG1-CZ 4.37Å
175S94.4Very high92.9Very high23 Ų2357.8 Ų57.816%0.16128%0.28CS..Hα-helixtrans-58-45174.7-68.10000112.2V171 E173 Y177 I178 K179 P185 F190V171-S175 WeakPolarHBondContact O-CA 3.36Å; V171-S175 WeakPolarHBondContact O-CB 3.18Å; V171-S175 PolarHBondContact O-N 2.53Å; V171-S175 PolarHBondContact O-OG 2.88Å; E173-S175 PolarHBondContact O-N 2.64Å; S175-Y177 PolarHBondContact O-N 3.08Å; S175-I178 WeakPolarHBondContact O-CG1 3.35Å; S175-K179 WeakPolarHBondContact O-CB 3.42Å; S175-K179 PolarHBondContact O-N 3.38Å; S175-P185 WeakPolarHBondContact O-CG 3.31Å; S175-F190 WeakPolarHBondContact OG-CZ 3.41Å
176T92.9Very high92.7Very high69 Ų6954.6 Ų54.642%0.42327%0.271SS..Hα-helixtrans-61.3-38175.7-590000110.7K172 E173 V174 K180K172-T176 WeakPolarHBondContact O-CB 3.48Å; K172-T176 PolarHBondContact O-N 3.15Å; K172-T176 PolarHBondContact O-OG1 2.59Å; E173-T176 WeakPolarHBondContact O-CB 3.37Å; E173-T176 PolarHBondContact O-N 2.87Å; V174-T176 VanDerWaalsContact C-N 3.34Å; V174-T176 PolarHBondContact O-N 3.35Å; T176-K180 WeakPolarHBondContact O-CB 3.02Å; T176-K180 WeakPolarHBondContact O-CG 3.45Å; T176-K180 PolarHBondContact O-N 3.47Å; T176-K180 VanDerWaalsContact O-N 3.13Å
177Y88.8Confident92.5Very high41 Ų4155.1 Ų55.116%0.16128%0.277CS..Hα-helixtrans-74.3-47.2-178.2-174.5-98.3000113.5I127 R134 E173 V174 S175 K179 K180 I181I127-Y177 HydrophobicContact CD1-CD1 4.28Å; I127-Y177 HydrophobicContact CD1-CG 4.19Å; R134-Y177 VanDerWaalsContact CA-CE1 3.5Å; R134-Y177 WeakPolarHBondContact CA-OH 3.2Å; R134-Y177 HydrophobicContact CB-CE1 3.8Å; R134-Y177 HydrophobicContact CB-CE2 4.16Å; R134-Y177 VanDerWaalsContact CB-CZ 3.44Å; R134-Y177 WeakPolarHBondContact CB-OH 3.45Å; R134-Y177 HydrophobicContact CG-CD1 4.14Å; R134-Y177 HydrophobicContact CG-CD2 4.15Å; R134-Y177 HydrophobicContact CG-CE1 3.56Å; R134-Y177 HydrophobicContact CG-CE2 3.6Å; R134-Y177 HydrophobicContact CG-CG 4.42Å; R134-Y177 VanDerWaalsContact NE-CD2 3.26Å; R134-Y177 PolarHBondContact O-OH 2.78Å; E173-Y177 WeakPolarHBondContact O-CB 3.45Å; E173-Y177 PolarHBondContact O-N 2.81Å; V174-Y177 CarbonylContact O-C 3.56Å; V174-Y177 WeakPolarHBondContact O-CA 3.39Å; V174-Y177 WeakPolarHBondContact O-CB 3.44Å; V174-Y177 PolarHBondContact O-N 3.19Å; S175-Y177 PolarHBondContact O-N 3.08Å; Y177-K179 VanDerWaalsContact C-N 3.28Å; Y177-K179 PolarHBondContact O-N 3.22Å; Y177-K180 CarbonylContact O-C 3.54Å; Y177-K180 VanDerWaalsContact O-CA 3.31Å; Y177-K180 WeakPolarHBondContact O-CA 3.44Å; Y177-K180 VanDerWaalsContact O-CB 3.23Å; Y177-K180 WeakPolarHBondContact O-CB 3.38Å; Y177-K180 PolarHBondContact O-N 3.4Å; Y177-I181 HydrophobicContact CD1-CD1 3.8Å; Y177-I181 HydrophobicContact CD1-CG1 4.48Å; Y177-I181 HydrophobicContact CE1-CD1 3.18Å; Y177-I181 HydrophobicContact CE1-CG1 3.89Å; Y177-I181 PolarHBondContact O-N 3.08Å
178I92.3Very high92.5Very high0 Ų054.1 Ų54.10%027%0.273CS..Hα-helixtrans-66.2-33.6178.168.4-175.5000111.2L148 V174 S175 K180 I181 G182 Y183 P185 V188 F190L148-I178 HydrophobicContact CD2-CB 4.45Å; L148-I178 HydrophobicContact CD2-CG2 3.98Å; V174-I178 HydrophobicContact CG1-CG2 4.01Å; V174-I178 WeakPolarHBondContact O-CG1 3.4Å; V174-I178 WeakPolarHBondContact O-CG2 3.27Å; V174-I178 PolarHBondContact O-N 3.02Å; S175-I178 WeakPolarHBondContact O-CG1 3.35Å; I178-K180 PolarHBondContact O-N 3.07Å; I178-I181 WeakPolarHBondContact O-CB 3.49Å; I178-I181 PolarHBondContact O-N 3.04Å; I178-G182 PolarHBondContact O-N 3.38Å; I178-Y183 HydrophobicContact CB-CD2 4.18Å; I178-Y183 PolarHBondContact O-N 2.84Å; I178-Y183 VanDerWaalsContact O-N 3.09Å; I178-P185 HydrophobicContact CD1-CB 4.32Å; I178-P185 HydrophobicContact CD1-CG 4.42Å; I178-P185 HydrophobicContact CG1-CG 4.14Å; I178-V188 HydrophobicContact CD1-CB 4.22Å; I178-V188 HydrophobicContact CD1-CG1 4.13Å; I178-V188 HydrophobicContact CD1-CG2 4.08Å; I178-F190 HydrophobicContact CD1-CE2 4.35Å; I178-F190 HydrophobicContact CD1-CZ 3.76Å
179K92.4Very high92.5Very high144 Ų14449.3 Ų49.363%0.62625%0.251SS*.Hα-helixtrans-62.3-34.4168.9-169.8171.1-175.8170.10112.1S175 Y177 I181 Y183 P185S175-K179 WeakPolarHBondContact O-CB 3.42Å; S175-K179 PolarHBondContact O-N 3.38Å; Y177-K179 VanDerWaalsContact C-N 3.28Å; Y177-K179 PolarHBondContact O-N 3.22Å; K179-I181 VanDerWaalsContact C-N 3.29Å; K179-Y183 WeakPolarHBondContact CA-O 3.29Å; K179-P185 HydrophobicContact CB-CG 3.79Å; K179-P185 HydrophobicContact CD-CG 4.34Å; K179-P185 HydrophobicContact CG-CG 4.39Å
180K87.2Confident92.5Very high108 Ų10845.9 Ų45.947%0.4724%0.235SC..Hα-helixtrans-73.2-18.7173.9-78.5178.7-178175.10113.2T176 Y177 I178 R380T176-K180 WeakPolarHBondContact O-CB 3.02Å; T176-K180 WeakPolarHBondContact O-CG 3.45Å; T176-K180 PolarHBondContact O-N 3.47Å; T176-K180 VanDerWaalsContact O-N 3.13Å; Y177-K180 CarbonylContact O-C 3.54Å; Y177-K180 VanDerWaalsContact O-CA 3.31Å; Y177-K180 WeakPolarHBondContact O-CA 3.44Å; Y177-K180 VanDerWaalsContact O-CB 3.23Å; Y177-K180 WeakPolarHBondContact O-CB 3.38Å; Y177-K180 PolarHBondContact O-N 3.4Å; I178-K180 PolarHBondContact O-N 3.07Å; K180-R380 PolarHBondContact O-NE 2.86Å; K180-R380 PolarHBondContact O-NH2 3.1Å
181I86.6Confident92.6Very high16 Ų1645.9 Ų45.98%0.08224%0.235CC..Hα-helixtrans-83-46.5172.4-69.1166.3000110A137 L138 Y141 Y177 I178 K179 Y183A137-I181 HydrophobicContact CB-CD1 3.5Å; L138-I181 HydrophobicContact CB-CD1 4.43Å; L138-I181 HydrophobicContact CD1-CG2 4.09Å; Y141-I181 VanDerWaalsContact CB-CG2 3.47Å; Y141-I181 HydrophobicContact CD1-CG2 3.98Å; Y141-I181 HydrophobicContact CD2-CG2 4.32Å; Y141-I181 HydrophobicContact CG-CG2 3.67Å; Y177-I181 HydrophobicContact CD1-CD1 3.8Å; Y177-I181 HydrophobicContact CD1-CG1 4.48Å; Y177-I181 HydrophobicContact CE1-CD1 3.18Å; Y177-I181 HydrophobicContact CE1-CG1 3.89Å; Y177-I181 PolarHBondContact O-N 3.08Å; I178-I181 WeakPolarHBondContact O-CB 3.49Å; I178-I181 PolarHBondContact O-N 3.04Å; K179-I181 VanDerWaalsContact C-N 3.29Å; I181-Y183 HydrophobicContact CB-CD2 4.42Å; I181-Y183 HydrophobicContact CG2-CD2 4.2Å; I181-Y183 HydrophobicContact CG2-CE2 4.2Å
182G87.1Confident92.7Very high32 Ų3244.5 Ų44.533%0.3323%0.226SC..THydrogen-bonded Turntrans145.9-10.8-178.600000114Y141 I178Y141-G182 VanDerWaalsContact CE2-C 3.47Å; I178-G182 PolarHBondContact O-N 3.38Å
183Y92.1Very high92.8Very high8 Ų837.1 Ų37.13%0.03120%0.195CC..  trans-65.3145.7172.3-66.9-75.4000111.4Y141 V145 L148 I178 K179 I181 P185Y141-Y183 WeakPolarHBondContact CA-OH 3.48Å; Y141-Y183 HydrophobicContact CD2-CD1 4.03Å; Y141-Y183 AromaticContact CD2-CD2 3.99Å; Y141-Y183 HydrophobicContact CD2-CD2 3.99Å; Y141-Y183 AromaticContact CD2-CE1 3.83Å; Y141-Y183 HydrophobicContact CD2-CE1 3.83Å; Y141-Y183 AromaticContact CD2-CE2 3.8Å; Y141-Y183 HydrophobicContact CD2-CE2 3.8Å; Y141-Y183 HydrophobicContact CD2-CG 4.1Å; Y141-Y183 AromaticContact CD2-CZ 3.7Å; Y141-Y183 HydrophobicContact CG-CE2 4.16Å; Y141-Y183 PolarHBondContact N-OH 3.34Å; Y141-Y183 VanDerWaalsContact N-OH 3.1Å; V145-Y183 WeakPolarHBondContact O-CE1 3.24Å; V145-Y183 PolarHBondContact O-OH 3.48Å; L148-Y183 HydrophobicContact CB-CD1 4.05Å; L148-Y183 HydrophobicContact CB-CE1 3.89Å; L148-Y183 HydrophobicContact CD2-CD1 4.41Å; L148-Y183 HydrophobicContact CD2-CD2 3.97Å; L148-Y183 HydrophobicContact CD2-CE1 4.49Å; L148-Y183 HydrophobicContact CD2-CE2 4.04Å; L148-Y183 HydrophobicContact CD2-CG 4.16Å; I178-Y183 HydrophobicContact CB-CD2 4.18Å; I178-Y183 PolarHBondContact O-N 2.84Å; I178-Y183 VanDerWaalsContact O-N 3.09Å; K179-Y183 WeakPolarHBondContact CA-O 3.29Å; I181-Y183 HydrophobicContact CB-CD2 4.42Å; I181-Y183 HydrophobicContact CG2-CD2 4.2Å; I181-Y183 HydrophobicContact CG2-CE2 4.2Å; Y183-P185 WeakPolarHBondContact O-CD 3.26Å
184N91.5Very high92.8Very high78 Ų7833.3 Ų33.342%0.41718%0.177SC..  trans-86.7113.3167.3-177.34.4000109.6D186 T187N184-D186 PolarHBondContact O-N 2.68Å; N184-D186 VanDerWaalsContact O-N 3.14Å; N184-D186 PolarHBondContact OD1-N 2.95Å; N184-T187 HydrophobicContact CB-CG2 3.82Å; N184-T187 PolarHBondContact O-N 3.46Å; N184-T187 PolarHBondContact O-OG1 2.81Å
185P93.3Very high92.7Very high20 Ų2033.2 Ų33.213%0.1318%0.176CC..G310 helixtrans-56.6-30.6-179.3-24.835.2000113.9S175 I178 K179 Y183 T187 V188S175-P185 WeakPolarHBondContact O-CG 3.31Å; I178-P185 HydrophobicContact CD1-CB 4.32Å; I178-P185 HydrophobicContact CD1-CG 4.42Å; I178-P185 HydrophobicContact CG1-CG 4.14Å; K179-P185 HydrophobicContact CB-CG 3.79Å; K179-P185 HydrophobicContact CD-CG 4.34Å; K179-P185 HydrophobicContact CG-CG 4.39Å; Y183-P185 WeakPolarHBondContact O-CD 3.26Å; P185-T187 PolarHBondContact O-N 2.91Å; P185-V188 PolarHBondContact O-N 2.91Å; P185-V188 VanDerWaalsContact O-N 3.07Å
186D92.1Very high92.4Very high104 Ų10437.1 Ų37.156%0.55619%0.188SC*.G310 helixtrans-66.7-19.8179.7-58-30.3000112.2N184 V216 T217N184-D186 PolarHBondContact O-N 2.68Å; N184-D186 VanDerWaalsContact O-N 3.14Å; N184-D186 PolarHBondContact OD1-N 2.95Å; D186-V216 CarbonylContact O-C 3.58Å; D186-V216 WeakPolarHBondContact O-CA 3.44Å; D186-T217 PolarHBondContact O-N 3.41Å
187T92.1Very high92.2Very high31 Ų3137.8 Ų37.819%0.1919%0.189CC..G310 helixtrans-91.4-5178.469.20000112.9N184 P185 T217 R218N184-T187 HydrophobicContact CB-CG2 3.82Å; N184-T187 PolarHBondContact O-N 3.46Å; N184-T187 PolarHBondContact O-OG1 2.81Å; P185-T187 PolarHBondContact O-N 2.91Å; T187-T217 WeakPolarHBondContact CG2-O 3Å; T187-R218 HydrophobicContact CG2-CG 3.95Å; T187-R218 PolarHBondContact O-NE 3.11Å; T187-R218 PolarHBondContact O-NH2 3.43Å
188V94.7Very high92.3Very high3 Ų336.8 Ų36.82%0.01819%0.19CC..SBendtrans-107.1126.5-171.1175.50000110.1L148 V150 I178 P185 F190L148-V188 HydrophobicContact CB-CG1 4.49Å; L148-V188 HydrophobicContact CB-CG2 4.07Å; L148-V188 HydrophobicContact CD2-CG1 4.45Å; L148-V188 HydrophobicContact CD2-CG2 4.47Å; L148-V188 HydrophobicContact CG-CG1 4.38Å; L148-V188 WeakPolarHBondContact O-CG1 3.43Å; V150-V188 HydrophobicContact CB-CG1 4.43Å; V150-V188 HydrophobicContact CG2-CG1 3.68Å; I178-V188 HydrophobicContact CD1-CB 4.22Å; I178-V188 HydrophobicContact CD1-CG1 4.13Å; I178-V188 HydrophobicContact CD1-CG2 4.08Å; P185-V188 PolarHBondContact O-N 2.91Å; P185-V188 VanDerWaalsContact O-N 3.07Å; V188-F190 HydrophobicContact CB-CE2 4.18Å; V188-F190 HydrophobicContact CG1-CD2 4.33Å; V188-F190 HydrophobicContact CG1-CE2 3.92Å; V188-F190 HydrophobicContact CG1-CZ 4.24Å; V188-F190 WeakPolarHBondContact O-CD2 3.36Å
189A95.9Very high92.3Very high3 Ų337.5 Ų37.53%0.02519%0.194CC..EExtended strand (participates in β ladder)trans-81.3126.4175.300000110I149 V150 W214 V216 A231I149-A189 HydrophobicContact CG2-CB 4.49Å; V150-A189 PolarHBondContact N-O 2.86Å; A189-W214 HydrophobicContact CB-CB 4.29Å; A189-W214 HydrophobicContact CB-CD2 3.75Å; A189-W214 HydrophobicContact CB-CE3 3.64Å; A189-W214 HydrophobicContact CB-CG 4.04Å; A189-W214 HydrophobicContact CB-CZ3 4.29Å; A189-V216 HydrophobicContact CB-CG1 3.83Å; A189-A231 HydrophobicContact CB-CB 4.15Å
190F96.9Very high92.4Very high16 Ų1630.8 Ų30.87%0.0717%0.165CC..EExtended strand (participates in β ladder)trans-104.4110.1173-71.7-95.1000109.6V150 Y167 V171 V174 S175 I178 V188V150-F190 HydrophobicContact CB-CD1 3.65Å; V150-F190 HydrophobicContact CB-CE1 3.84Å; V150-F190 HydrophobicContact CB-CG 4.29Å; V150-F190 HydrophobicContact CG1-CD1 3.69Å; V150-F190 HydrophobicContact CG1-CE1 3.85Å; V150-F190 HydrophobicContact CG2-CD1 4.19Å; V150-F190 HydrophobicContact CG2-CE1 3.86Å; V150-F190 HydrophobicContact CG2-CZ 4.28Å; V150-F190 CarbonylContact O-C 3.54Å; V150-F190 WeakPolarHBondContact O-CA 3.04Å; Y167-F190 PolarHBondContact OH-O 2.66Å; V171-F190 HydrophobicContact CB-CD1 4.32Å; V171-F190 HydrophobicContact CG1-CD1 4.16Å; V171-F190 HydrophobicContact CG1-CD2 4.27Å; V171-F190 HydrophobicContact CG1-CE1 4.38Å; V171-F190 HydrophobicContact CG1-CE2 4.5Å; V171-F190 HydrophobicContact CG1-CG 4.09Å; V171-F190 HydrophobicContact CG2-CB 3.97Å; V171-F190 HydrophobicContact CG2-CD1 3.84Å; V171-F190 HydrophobicContact CG2-CG 4.04Å; V174-F190 HydrophobicContact CB-CE1 4.04Å; V174-F190 HydrophobicContact CG1-CE1 3.82Å; V174-F190 HydrophobicContact CG1-CZ 4.37Å; S175-F190 WeakPolarHBondContact OG-CZ 3.41Å; I178-F190 HydrophobicContact CD1-CE2 4.35Å; I178-F190 HydrophobicContact CD1-CZ 3.76Å; V188-F190 HydrophobicContact CB-CE2 4.18Å; V188-F190 HydrophobicContact CG1-CD2 4.33Å; V188-F190 HydrophobicContact CG1-CE2 3.92Å; V188-F190 HydrophobicContact CG1-CZ 4.24Å; V188-F190 WeakPolarHBondContact O-CD2 3.36Å
191V97.2Very high92.6Very high0 Ų025.7 Ų25.70%014%0.143CC..EExtended strand (participates in β ladder)trans-111.9116-175.2-163.60000109.4I149 V150 G151 V152 I193 N200 W214 L228 A231I149-V191 HydrophobicContact CG2-CG2 4.47Å; V150-V191 PolarHBondContact O-N 3.25Å; G151-V191 CarbonylContact C-O 3.59Å; G151-V191 WeakPolarHBondContact CA-O 3.3Å; V152-V191 PolarHBondContact N-O 3.32Å; V191-I193 HydrophobicContact CB-CG2 4.15Å; V191-I193 HydrophobicContact CG1-CG2 3.66Å; V191-I193 PolarHBondContact O-N 2.82Å; V191-N200 HydrophobicContact CG1-CB 4.46Å; V191-W214 HydrophobicContact CG2-CG 4.2Å; V191-L228 HydrophobicContact CG1-CB 4.41Å; V191-L228 HydrophobicContact CG2-CD1 4.37Å; V191-A231 HydrophobicContact CG2-CB 4.08Å
192P97Very high92.8Very high0 Ų027.3 Ų27.30%015%0.151CC..EExtended strand (participates in β ladder)trans-74.7122170.228.5-27000109M155 Y167 N200 M208 W210 F211M155-P192 HydrophobicContact CG-CB 3.88Å; M155-P192 HydrophobicContact SD-CB 4.23Å; Y167-P192 HydrophobicContact CD2-CB 3.66Å; Y167-P192 HydrophobicContact CD2-CG 4.21Å; Y167-P192 HydrophobicContact CE2-CB 3.7Å; Y167-P192 HydrophobicContact CE2-CG 3.86Å; Y167-P192 HydrophobicContact CG-CB 4.42Å; P192-N200 WeakPolarHBondContact O-CB 3.3Å; P192-N200 PolarHBondContact O-ND2 3.08Å; P192-M208 HydrophobicContact CB-SD 3.76Å; P192-M208 HydrophobicContact CG-SD 4.07Å; P192-W210 HydrophobicContact CB-CH2 4.34Å; P192-W210 HydrophobicContact CG-CH2 4.29Å; P192-F211 VanDerWaalsContact CD-CE2 3.43Å; P192-F211 HydrophobicContact CG-CB 4.31Å; P192-F211 HydrophobicContact CG-CD1 3.8Å; P192-F211 HydrophobicContact CG-CD2 3.6Å; P192-F211 HydrophobicContact CG-CE1 3.94Å; P192-F211 HydrophobicContact CG-CE2 3.77Å; P192-F211 HydrophobicContact CG-CG 3.62Å; P192-F211 HydrophobicContact CG-CZ 3.93Å
193I96.8Very high93Very high0 Ų033 Ų330%017%0.169CC..  trans-133.9160.2-174.564.7179.4000111.7T23 I115 V152 N153 K154 M155 V191 D199 N200 M201 L228T23-I193 HydrophobicContact CG2-CD1 3.74Å; I115-I193 HydrophobicContact CD1-CD1 4.33Å; V152-I193 PolarHBondContact O-N 2.86Å; N153-I193 CarbonylContact C-O 3.58Å; N153-I193 WeakPolarHBondContact CA-O 3.42Å; N153-I193 HydrophobicContact CB-CD1 4.27Å; N153-I193 HydrophobicContact CB-CG1 3.99Å; K154-I193 PolarHBondContact N-O 3.05Å; M155-I193 PolarHBondContact N-O 3.31Å; V191-I193 HydrophobicContact CB-CG2 4.15Å; V191-I193 HydrophobicContact CG1-CG2 3.66Å; V191-I193 PolarHBondContact O-N 2.82Å; I193-D199 WeakPolarHBondContact CA-O 3.43Å; I193-N200 HydrophobicContact CG2-CB 4.19Å; I193-M201 HydrophobicContact CB-SD 4.04Å; I193-M201 HydrophobicContact CD1-SD 3.96Å; I193-M201 HydrophobicContact CG1-SD 4.48Å; I193-M201 HydrophobicContact CG2-SD 4.2Å; I193-L228 HydrophobicContact CD1-CD2 4.06Å; I193-L228 HydrophobicContact CG2-CB 4.27Å
194S94.8Very high93Very high1 Ų136.8 Ų36.81%0.00720%0.195CC..  trans-124.3104.2157.8-179.20000108.4D156 W196 N197 G198 D199D156-S194 VanDerWaalsContact OD1-CB 3.29Å; D156-S194 WeakPolarHBondContact OD1-CB 3.41Å; D156-S194 PolarHBondContact OD1-OG 2.79Å; S194-W196 PolarHBondContact O-N 2.77Å; S194-N197 PolarHBondContact O-N 3.42Å; S194-N197 PolarHBondContact OG-N 3.04Å; S194-G198 WeakPolarHBondContact O-CA 3.38Å; S194-G198 PolarHBondContact O-N 3.41Å; S194-D199 PolarHBondContact N-O 3.3Å; S194-D199 VanDerWaalsContact N-O 3.17Å; S194-D199 PolarHBondContact O-N 3.29Å
195G90.4Very high93Very high0 Ų033.8 Ų33.80%018%0.18CC..THydrogen-bonded Turntrans-63-22.2178.200000113H26 N153H26-G195 PolarHBondContact ND1-O 3.31Å; N153-G195 PolarHBondContact OD1-N 2.97Å
196W88.6Confident92.9Very high106 Ų10637.3 Ų37.340%0.40221%0.211SC..THydrogen-bonded Turntrans-78.9-53.9177-174.7-109000112T22 S53 Y56 S194T22-W196 HydrophobicContact CG2-CE3 3.93Å; S53-W196 VanDerWaalsContact C-CH2 3.45Å; S53-W196 WeakPolarHBondContact O-CH2 3.25Å; S53-W196 WeakPolarHBondContact O-CZ3 3.42Å; Y56-W196 HydrophobicContact CD2-CE3 4.23Å; Y56-W196 HydrophobicContact CD2-CZ3 4.2Å; S194-W196 PolarHBondContact O-N 2.77Å
197N89.3Confident92.8Very high83 Ų8336.4 Ų36.444%0.44421%0.206SC..THydrogen-bonded Turntrans-81.7-20.6-175.9-64.9-27.2000112.9D156 Y162 S194 D199D156-N197 WeakPolarHBondContact CB-ND2 3.46Å; Y162-N197 PolarHBondContact OH-ND2 3.11Å; S194-N197 PolarHBondContact O-N 3.42Å; S194-N197 PolarHBondContact OG-N 3.04Å; N197-D199 WeakPolarHBondContact CB-OD2 3.48Å
198G90Very high92.8Very high19 Ų1935.1 Ų35.120%0.19620%0.198CC..  trans91.45.3-177.900000114.7H26 S194 N200 M201H26-G198 WeakPolarHBondContact CE1-CA 3.4Å; S194-G198 WeakPolarHBondContact O-CA 3.38Å; S194-G198 PolarHBondContact O-N 3.41Å; G198-N200 PolarHBondContact O-N 3.39Å; G198-M201 WeakPolarHBondContact O-CB 3.21Å; G198-M201 PolarHBondContact O-N 3.47Å
199D93.2Very high92.7Very high16 Ų1639.4 Ų39.49%0.08623%0.226CC..THydrogen-bonded Turntrans-58.7128-179.3-66.3-85.8000112.1Y162 I193 S194 N197 M201 S205 N207 M208Y162-D199 HydrophobicContact CE1-CB 4.36Å; Y162-D199 PolarHBondContact OH-OD2 3.08Å; I193-D199 WeakPolarHBondContact CA-O 3.43Å; S194-D199 PolarHBondContact N-O 3.3Å; S194-D199 VanDerWaalsContact N-O 3.17Å; S194-D199 PolarHBondContact O-N 3.29Å; N197-D199 WeakPolarHBondContact CB-OD2 3.48Å; D199-M201 PolarHBondContact O-N 3.16Å; D199-M201 VanDerWaalsContact O-N 3.08Å; D199-S205 WeakPolarHBondContact OD1-CB 3.5Å; D199-S205 PolarHBondContact OD1-OG 2.74Å; D199-N207 PolarHBondContact OD1-ND2 2.82Å; D199-M208 HydrophobicContact CB-CE 3.79Å
200N93.5Very high92.6Very high2 Ų241.8 Ų41.81%0.01124%0.235CC..THydrogen-bonded Turntrans56.116.9-178.8-70.2-19.1000114.7V191 P192 I193 G198 E203 S205 M208 T227 L228V191-N200 HydrophobicContact CG1-CB 4.46Å; P192-N200 WeakPolarHBondContact O-CB 3.3Å; P192-N200 PolarHBondContact O-ND2 3.08Å; I193-N200 HydrophobicContact CG2-CB 4.19Å; G198-N200 PolarHBondContact O-N 3.39Å; N200-E203 VanDerWaalsContact CA-O 3.24Å; N200-E203 WeakPolarHBondContact CA-O 3.22Å; N200-E203 PolarHBondContact N-O 3.24Å; N200-S205 WeakPolarHBondContact OD1-CB 3.43Å; N200-S205 PolarHBondContact OD1-N 3.13Å; N200-M208 HydrophobicContact CB-CE 4.4Å; N200-M208 WeakPolarHBondContact ND2-CE 3.38Å; N200-T227 CarbonylContact O-C 3.58Å; N200-T227 VanDerWaalsContact O-CA 3.26Å; N200-T227 WeakPolarHBondContact O-CA 3.42Å; N200-L228 PolarHBondContact O-N 3.08Å
201M92Very high92.4Very high1 Ų142 Ų421%0.00524%0.236CC..THydrogen-bonded Turntrans-76.3-61.5178.1-69.2-66.4-7400111T23 H26 L27 I193 G198 D199 L228 L229T23-M201 HydrophobicContact CG2-CE 3.43Å; T23-M201 VanDerWaalsContact CG2-CE 3.43Å; T23-M201 HydrophobicContact CG2-SD 3.89Å; T23-M201 VanDerWaalsContact O-CE 3.28Å; T23-M201 WeakPolarHBondContact O-CE 3.44Å; H26-M201 HydrophobicContact CB-CE 4.25Å; L27-M201 HydrophobicContact CD1-CE 4.28Å; L27-M201 HydrophobicContact CD2-CE 3.82Å; L27-M201 HydrophobicContact CG-CE 3.57Å; I193-M201 HydrophobicContact CB-SD 4.04Å; I193-M201 HydrophobicContact CD1-SD 3.96Å; I193-M201 HydrophobicContact CG1-SD 4.48Å; I193-M201 HydrophobicContact CG2-SD 4.2Å; G198-M201 WeakPolarHBondContact O-CB 3.21Å; G198-M201 PolarHBondContact O-N 3.47Å; D199-M201 PolarHBondContact O-N 3.16Å; D199-M201 VanDerWaalsContact O-N 3.08Å; M201-L228 HydrophobicContact CE-CD2 4.1Å; M201-L228 PolarHBondContact O-N 3.38Å; M201-L228 HydrophobicContact SD-CD2 3.85Å; M201-L229 PolarHBondContact O-N 2.76Å
202L90.3Very high92.2Very high50 Ų5050.5 Ų50.526%0.26227%0.272SS..SBendtrans-113.3-32.5176.3-76.281.1000112.2L27 K30 T227 L229L27-L202 HydrophobicContact CD2-CD1 4.13Å; K30-L202 HydrophobicContact CB-CD1 3.6Å; K30-L202 HydrophobicContact CB-CD2 3.63Å; K30-L202 HydrophobicContact CB-CG 4.28Å; K30-L202 HydrophobicContact CG-CD1 4.11Å; L202-T227 WeakPolarHBondContact O-CG2 3.42Å; L202-L229 HydrophobicContact CD2-CD2 4.35Å; L202-L229 HydrophobicContact CG-CD2 4.11Å
203E91.4Very high91.9Very high151 Ų15151.4 Ų51.471%0.70628%0.282SS*.SBendtrans-124.3149.5-176.9-66.9175.9-170.100110.1N200 S205N200-E203 VanDerWaalsContact CA-O 3.24Å; N200-E203 WeakPolarHBondContact CA-O 3.22Å; N200-E203 PolarHBondContact N-O 3.24Å; E203-S205 PolarHBondContact O-N 2.9Å
204P91.8Very high91.8Very high89 Ų8951.8 Ų51.858%0.57828%0.283SS*.  trans-58.9136.2174.6-23.834.5000112.2T226 T227P204-T226 HydrophobicContact CB-CG2 4.06Å; P204-T226 HydrophobicContact CG-CG2 4.29Å; P204-T227 HydrophobicContact CG-CG2 4.29Å
205S91.6Very high91.7Very high15 Ų1559.6 Ų59.611%0.10532%0.317CS..  trans-79.7133.2177.5174.70000112D199 N200 E203 N207D199-S205 WeakPolarHBondContact OD1-CB 3.5Å; D199-S205 PolarHBondContact OD1-OG 2.74Å; N200-S205 WeakPolarHBondContact OD1-CB 3.43Å; N200-S205 PolarHBondContact OD1-N 3.13Å; E203-S205 PolarHBondContact O-N 2.9Å; S205-N207 PolarHBondContact O-N 2.9Å; S205-N207 WeakPolarHBondContact OG-CB 3.49Å; S205-N207 PolarHBondContact OG-N 2.9Å
206A91.5Very high91.8Very high94 Ų9459.8 Ų59.878%0.77732%0.318SS*.THydrogen-bonded Turntrans-70.6-19.9168.800000112.9M208A206-M208 VanDerWaalsContact C-N 3.29Å; A206-M208 PolarHBondContact O-N 2.73Å
207N91Very high91.8Very high85 Ų8558.5 Ų58.546%0.45532%0.322SS..THydrogen-bonded Turntrans-78-13.4-178.4-61.3-47.5000113Y162 D199 S205 P209Y162-N207 HydrophobicContact CD1-CB 3.95Å; Y162-N207 HydrophobicContact CD2-CB 3.73Å; Y162-N207 HydrophobicContact CE1-CB 3.91Å; Y162-N207 HydrophobicContact CE2-CB 3.69Å; Y162-N207 HydrophobicContact CG-CB 3.85Å; D199-N207 PolarHBondContact OD1-ND2 2.82Å; S205-N207 PolarHBondContact O-N 2.9Å; S205-N207 WeakPolarHBondContact OG-CB 3.49Å; S205-N207 PolarHBondContact OG-N 2.9Å; N207-P209 WeakPolarHBondContact O-CD 3.48Å
208M91.5Very high91.6Very high4 Ų456.4 Ų56.42%0.0231%0.308CS..  trans-123.859.7-178-68.9178.5-80.400112.3M155 Y162 P192 D199 N200 A206 W210 F211M155-M208 HydrophobicContact CB-SD 4.23Å; M155-M208 HydrophobicContact CE-SD 4.47Å; M155-M208 HydrophobicContact CG-SD 4.28Å; Y162-M208 HydrophobicContact CD1-CE 4.01Å; Y162-M208 HydrophobicContact CD1-CG 3.68Å; Y162-M208 HydrophobicContact CD1-SD 3.88Å; Y162-M208 HydrophobicContact CE1-CE 4.24Å; Y162-M208 HydrophobicContact CG-CG 4.13Å; P192-M208 HydrophobicContact CB-SD 3.76Å; P192-M208 HydrophobicContact CG-SD 4.07Å; D199-M208 HydrophobicContact CB-CE 3.79Å; N200-M208 HydrophobicContact CB-CE 4.4Å; N200-M208 WeakPolarHBondContact ND2-CE 3.38Å; A206-M208 VanDerWaalsContact C-N 3.29Å; A206-M208 PolarHBondContact O-N 2.73Å; M208-W210 HydrophobicContact CB-CZ2 4.3Å; M208-W210 HydrophobicContact CG-CZ2 3.92Å; M208-W210 PolarHBondContact O-N 2.93Å; M208-W210 VanDerWaalsContact O-N 3.13Å; M208-W210 HydrophobicContact SD-CZ2 4.11Å; M208-F211 HydrophobicContact CB-CB 4.22Å; M208-F211 PolarHBondContact O-N 3.45Å
209P91.4Very high91.1Very high93 Ų9365.6 Ų65.660%0.60434%0.342SS*.THydrogen-bonded Turntrans-65.8-19-177.629.1-36.4000113.4N207 F211 K212N207-P209 WeakPolarHBondContact O-CD 3.48Å; P209-F211 VanDerWaalsContact C-N 3.34Å; P209-K212 PolarHBondContact O-NZ 3.43Å
210W94.1Very high90.2Very high53 Ų5371 Ų7120%0.20137%0.372CS..THydrogen-bonded Turntrans-72.2-26.1174.754.8-100.9000112.6M155 Y162 Q164 Y167 P192 M208 K212M155-W210 HydrophobicContact CE-CH2 4.19Å; M155-W210 HydrophobicContact CE-CZ2 3.93Å; Y162-W210 PolarHBondContact O-NE1 2.85Å; Q164-W210 HydrophobicContact CB-CD2 3.55Å; Q164-W210 HydrophobicContact CB-CE3 3.8Å; Q164-W210 HydrophobicContact CB-CG 3.9Å; Q164-W210 HydrophobicContact CB-CH2 4.44Å; Q164-W210 HydrophobicContact CB-CZ2 4.21Å; Q164-W210 HydrophobicContact CB-CZ3 4.24Å; Q164-W210 HydrophobicContact CG-CD2 3.82Å; Q164-W210 HydrophobicContact CG-CE3 3.56Å; Q164-W210 HydrophobicContact CG-CG 4.27Å; Q164-W210 HydrophobicContact CG-CZ3 4.02Å; Y167-W210 AromaticContact CD1-CH2 3.75Å; Y167-W210 HydrophobicContact CD1-CH2 3.75Å; Y167-W210 AromaticContact CD1-CZ3 3.57Å; Y167-W210 HydrophobicContact CD1-CZ3 3.57Å; Y167-W210 HydrophobicContact CD2-CH2 4.46Å; Y167-W210 HydrophobicContact CE1-CH2 4.5Å; Y167-W210 HydrophobicContact CE1-CZ3 4.09Å; Y167-W210 AromaticContact CG-CH2 3.71Å; Y167-W210 HydrophobicContact CG-CH2 3.71Å; Y167-W210 HydrophobicContact CG-CZ3 4.05Å; P192-W210 HydrophobicContact CB-CH2 4.34Å; P192-W210 HydrophobicContact CG-CH2 4.29Å; M208-W210 HydrophobicContact CB-CZ2 4.3Å; M208-W210 HydrophobicContact CG-CZ2 3.92Å; M208-W210 PolarHBondContact O-N 2.93Å; M208-W210 VanDerWaalsContact O-N 3.13Å; M208-W210 HydrophobicContact SD-CZ2 4.11Å; W210-K212 PolarHBondContact O-N 2.87Å
211F94.1Very high89.4Confident21 Ų2172.8 Ų72.89%0.09239%0.391CS..  trans-78.8109.8-179.4-174.7-115000110.1Y167 P192 M208 P209 G213 W214 T226Y167-F211 HydrophobicContact CE1-CD2 4.39Å; Y167-F211 HydrophobicContact CE1-CE2 4.36Å; Y167-F211 WeakPolarHBondContact OH-CE2 3.43Å; P192-F211 VanDerWaalsContact CD-CE2 3.43Å; P192-F211 HydrophobicContact CG-CB 4.31Å; P192-F211 HydrophobicContact CG-CD1 3.8Å; P192-F211 HydrophobicContact CG-CD2 3.6Å; P192-F211 HydrophobicContact CG-CE1 3.94Å; P192-F211 HydrophobicContact CG-CE2 3.77Å; P192-F211 HydrophobicContact CG-CG 3.62Å; P192-F211 HydrophobicContact CG-CZ 3.93Å; M208-F211 HydrophobicContact CB-CB 4.22Å; M208-F211 PolarHBondContact O-N 3.45Å; P209-F211 VanDerWaalsContact C-N 3.34Å; F211-G213 VanDerWaalsContact C-N 3.28Å; F211-W214 HydrophobicContact CZ-CB 4.19Å; F211-T226 HydrophobicContact CD1-CG2 3.96Å; F211-T226 HydrophobicContact CE1-CG2 4.04Å; F211-T226 WeakPolarHBondContact CE1-O 3.36Å
212K91.3Very high89.3Confident177 Ų17778.3 Ų78.377%0.7742%0.42SS*.  trans-89.89.2-179.8-57.2-52.1-175.8-163.60113.8P209 W210P209-K212 PolarHBondContact O-NZ 3.43Å; W210-K212 PolarHBondContact O-N 2.87Å
213G91.6Very high89.2Confident19 Ų1977.3 Ų77.320%0.19642%0.419CS..  trans100.8159.5-175.400000113.7F211 G225F211-G213 VanDerWaalsContact C-N 3.28Å; G213-G225 CarbonylContact C-O 2.92Å; G213-G225 VanDerWaalsContact C-O 3.28Å; G213-G225 WeakPolarHBondContact CA-O 3.48Å
214W94.4Very high89.3Confident9 Ų974.2 Ų74.23%0.03441%0.414CS..EExtended strand (participates in β ladder)trans-84.2155.7171.854.1-96.6000110.1A189 V191 F211 V216 A223 S224 G225 T227 E230 A231 C234A189-W214 HydrophobicContact CB-CB 4.29Å; A189-W214 HydrophobicContact CB-CD2 3.75Å; A189-W214 HydrophobicContact CB-CE3 3.64Å; A189-W214 HydrophobicContact CB-CG 4.04Å; A189-W214 HydrophobicContact CB-CZ3 4.29Å; V191-W214 HydrophobicContact CG2-CG 4.2Å; F211-W214 HydrophobicContact CZ-CB 4.19Å; W214-V216 HydrophobicContact CE3-CG1 4.17Å; W214-V216 HydrophobicContact CZ3-CG1 4.32Å; W214-V216 HydrophobicContact CZ3-CG2 4.12Å; W214-A223 HydrophobicContact CZ3-CB 4.33Å; W214-S224 VanDerWaalsContact O-CA 3.26Å; W214-S224 WeakPolarHBondContact O-CA 3.48Å; W214-S224 WeakPolarHBondContact O-CB 3.26Å; W214-G225 VanDerWaalsContact CZ2-CA 3.48Å; W214-G225 PolarHBondContact N-O 3.34Å; W214-G225 VanDerWaalsContact NE1-C 3.32Å; W214-G225 PolarHBondContact NE1-O 3.47Å; W214-G225 PolarHBondContact O-N 3.36Å; W214-G225 VanDerWaalsContact O-N 3.16Å; W214-T227 PolarHBondContact NE1-O 3.17Å; W214-E230 HydrophobicContact CZ2-CB 3.9Å; W214-A231 HydrophobicContact CH2-CB 4.35Å; W214-A231 HydrophobicContact CZ2-CB 3.73Å; W214-A231 VanDerWaalsContact CZ2-N 3.28Å; W214-C234 HydrophobicContact CH2-CB 3.92Å; W214-C234 HydrophobicContact CZ3-CB 4.5Å
215K92.9Very high89.3Confident164 Ų16470.5 Ų70.571%0.71339%0.392SS*.EExtended strand (participates in β ladder)trans-136.6138176.5-63.3-175.7179.7179.80109A223K215-A223 WeakPolarHBondContact CA-O 3.33Å
216V91.9Very high89.4Confident4 Ų471.6 Ų71.62%0.02440%0.398CS..EExtended strand (participates in β ladder)trans-123.7135.3173.4-61.60000109.9D186 A189 W214 N222 A223D186-V216 CarbonylContact O-C 3.58Å; D186-V216 WeakPolarHBondContact O-CA 3.44Å; A189-V216 HydrophobicContact CB-CG1 3.83Å; W214-V216 HydrophobicContact CE3-CG1 4.17Å; W214-V216 HydrophobicContact CZ3-CG1 4.32Å; W214-V216 HydrophobicContact CZ3-CG2 4.12Å; V216-N222 VanDerWaalsContact O-CA 3.31Å; V216-N222 WeakPolarHBondContact O-CA 3.34Å; V216-A223 HydrophobicContact CG2-CB 3.69Å; V216-A223 PolarHBondContact N-O 3.04Å; V216-A223 PolarHBondContact O-N 2.95Å
217T88.5Confident89.6Confident80 Ų8067.2 Ų67.249%0.49136%0.361SS..  trans-112.4115.6178.2-53.50000108.6D186 T187 N222D186-T217 PolarHBondContact O-N 3.41Å; T187-T217 WeakPolarHBondContact CG2-O 3Å; T217-N222 WeakPolarHBondContact CA-OD1 3.35Å; T217-N222 WeakPolarHBondContact CG2-OD1 3.35Å
218R85.7Confident89.7Confident38 Ų3863.2 Ų63.214%0.14334%0.34CS..  trans-137.9155.8-177-61.3178.4-177.9-176.21109.5T187 D220 G221 N222T187-R218 HydrophobicContact CG2-CG 3.95Å; T187-R218 PolarHBondContact O-NE 3.11Å; T187-R218 PolarHBondContact O-NH2 3.43Å; R218-D220 PolarHBondContact O-N 3.08Å; R218-G221 PolarHBondContact O-N 2.96Å; R218-N222 PolarHBondContact N-OD1 2.77Å
219K79.1Confident89.8Confident212 Ų21264.5 Ų64.592%0.92235%0.347SS*.THydrogen-bonded Turntrans-61.5-33.1177.1-69.3-174.4178.2-177.50111.9G221K219-G221 VanDerWaalsContact C-N 3.27Å; K219-G221 PolarHBondContact O-N 2.94Å
220D74.9Confident89.9Confident130 Ų13063.9 Ų63.970%0.69534%0.336SS*.THydrogen-bonded Turntrans-8811.5-175.9-46.8-69.3000113.5R218 L236R218-D220 PolarHBondContact O-N 3.08Å; D220-L236 HydrophobicContact CB-CD1 4.23Å; D220-L236 HydrophobicContact CB-CD2 4.36Å
221G77.4Confident89.8Confident40 Ų4061.6 Ų61.641%0.41233%0.328SS..  trans123.8137.4177.300000113.1R218 K219R218-G221 PolarHBondContact O-N 2.96Å; K219-G221 VanDerWaalsContact C-N 3.27Å; K219-G221 PolarHBondContact O-N 2.94Å
222N88.5Confident89.7Confident117 Ų11760.8 Ų60.863%0.62633%0.325SS*.  trans-77.6145.9173.4-64.7-8.5000109.9V216 T217 R218V216-N222 VanDerWaalsContact O-CA 3.31Å; V216-N222 WeakPolarHBondContact O-CA 3.34Å; T217-N222 WeakPolarHBondContact CA-OD1 3.35Å; T217-N222 WeakPolarHBondContact CG2-OD1 3.35Å; R218-N222 PolarHBondContact N-OD1 2.77Å
223A89.4Confident89.7Confident29 Ų2953 Ų5324%0.2429%0.292CS..EExtended strand (participates in β ladder)trans-135154.8173.800000110.8W214 K215 V216 C234W214-A223 HydrophobicContact CZ3-CB 4.33Å; K215-A223 WeakPolarHBondContact CA-O 3.33Å; V216-A223 HydrophobicContact CG2-CB 3.69Å; V216-A223 PolarHBondContact N-O 3.04Å; V216-A223 PolarHBondContact O-N 2.95Å; A223-C234 HydrophobicContact CB-CB 4.07Å
224S92.6Very high89.6Confident85 Ų8553.8 Ų53.859%0.59429%0.294SS*.EExtended strand (participates in β ladder)trans-146.7149.6176.158.50000109.7W214W214-S224 VanDerWaalsContact O-CA 3.26Å; W214-S224 WeakPolarHBondContact O-CA 3.48Å; W214-S224 WeakPolarHBondContact O-CB 3.26Å
225G92.6Very high89.4Confident11 Ų1153.6 Ų53.611%0.11329%0.293CS..EExtended strand (participates in β ladder)trans-166-177.9176.200000110.1G213 W214 E230G213-G225 CarbonylContact C-O 2.92Å; G213-G225 VanDerWaalsContact C-O 3.28Å; G213-G225 WeakPolarHBondContact CA-O 3.48Å; W214-G225 VanDerWaalsContact CZ2-CA 3.48Å; W214-G225 PolarHBondContact N-O 3.34Å; W214-G225 VanDerWaalsContact NE1-C 3.32Å; W214-G225 PolarHBondContact NE1-O 3.47Å; W214-G225 PolarHBondContact O-N 3.36Å; W214-G225 VanDerWaalsContact O-N 3.16Å; G225-E230 WeakPolarHBondContact CA-OE2 3.47Å
226T93.6Very high89Confident38 Ų3848.5 Ų48.523%0.23327%0.273CS..SBendtrans-116.9-31.7-179.6-46.80000111.5P204 F211 E230P204-T226 HydrophobicContact CB-CG2 4.06Å; P204-T226 HydrophobicContact CG-CG2 4.29Å; F211-T226 HydrophobicContact CD1-CG2 3.96Å; F211-T226 HydrophobicContact CE1-CG2 4.04Å; F211-T226 WeakPolarHBondContact CE1-O 3.36Å; T226-E230 PolarHBondContact N-OE2 2.96Å
227T95.1Very high88.5Confident2 Ų251.6 Ų51.61%0.01229%0.294CS..SBendtrans-103.1164-171.472.80000112.4N200 L202 P204 W214 E230 A231N200-T227 CarbonylContact O-C 3.58Å; N200-T227 VanDerWaalsContact O-CA 3.26Å; N200-T227 WeakPolarHBondContact O-CA 3.42Å; L202-T227 WeakPolarHBondContact O-CG2 3.42Å; P204-T227 HydrophobicContact CG-CG2 4.29Å; W214-T227 PolarHBondContact NE1-O 3.17Å; T227-E230 PolarHBondContact N-OE2 3.22Å; T227-E230 VanDerWaalsContact OG1-CG 3.28Å; T227-E230 WeakPolarHBondContact OG1-CG 3.48Å; T227-E230 PolarHBondContact OG1-N 3.24Å; T227-E230 PolarHBondContact OG1-OE2 2.82Å; T227-A231 PolarHBondContact O-N 3.26Å
228L93.9Very high87.9Confident1 Ų149.4 Ų49.41%0.00528%0.281CS..Hα-helixtrans-66.8-40.2173.5-176.561.4000110.5T23 L27 I149 V191 I193 N200 M201 E230 A231 L232T23-L228 HydrophobicContact CG2-CD2 4.05Å; L27-L228 HydrophobicContact CD1-CD2 4Å; I149-L228 HydrophobicContact CG2-CD1 3.95Å; V191-L228 HydrophobicContact CG1-CB 4.41Å; V191-L228 HydrophobicContact CG2-CD1 4.37Å; I193-L228 HydrophobicContact CD1-CD2 4.06Å; I193-L228 HydrophobicContact CG2-CB 4.27Å; N200-L228 PolarHBondContact O-N 3.08Å; M201-L228 HydrophobicContact CE-CD2 4.1Å; M201-L228 PolarHBondContact O-N 3.38Å; M201-L228 HydrophobicContact SD-CD2 3.85Å; L228-E230 VanDerWaalsContact C-N 3.33Å; L228-E230 PolarHBondContact O-N 3.46Å; L228-A231 WeakPolarHBondContact O-CB 3.26Å; L228-A231 PolarHBondContact O-N 3.3Å; L228-A231 VanDerWaalsContact O-N 3.07Å; L228-L232 WeakPolarHBondContact O-CG 3Å; L228-L232 PolarHBondContact O-N 2.92Å
229L92.9Very high87.1Confident32 Ų3254.3 Ų54.317%0.16832%0.315CS..Hα-helixtrans-59.1-43.6176.7-170.768000112F80 T82 M201 L202 A231 L232 D233F80-L229 HydrophobicContact CE2-CD1 4.05Å; T82-L229 HydrophobicContact CG2-CD1 3.8Å; M201-L229 PolarHBondContact O-N 2.76Å; L202-L229 HydrophobicContact CD2-CD2 4.35Å; L202-L229 HydrophobicContact CG-CD2 4.11Å; L229-A231 VanDerWaalsContact C-N 3.27Å; L229-A231 PolarHBondContact O-N 3.07Å; L229-L232 WeakPolarHBondContact O-CB 3.43Å; L229-L232 PolarHBondContact O-N 3.44Å; L229-D233 PolarHBondContact O-N 2.91Å
230E93.1Very high86.6Confident80 Ų8047.4 Ų47.437%0.37428%0.284SS..Hα-helixtrans-63.3-34.4175.3-72.4170.4157.500112W214 G225 T226 T227 L228 L232 D233 C234W214-E230 HydrophobicContact CZ2-CB 3.9Å; G225-E230 WeakPolarHBondContact CA-OE2 3.47Å; T226-E230 PolarHBondContact N-OE2 2.96Å; T227-E230 PolarHBondContact N-OE2 3.22Å; T227-E230 VanDerWaalsContact OG1-CG 3.28Å; T227-E230 WeakPolarHBondContact OG1-CG 3.48Å; T227-E230 PolarHBondContact OG1-N 3.24Å; T227-E230 PolarHBondContact OG1-OE2 2.82Å; L228-E230 VanDerWaalsContact C-N 3.33Å; L228-E230 PolarHBondContact O-N 3.46Å; E230-L232 VanDerWaalsContact C-N 3.35Å; E230-D233 PolarHBondContact O-N 3.37Å; E230-C234 PolarHBondContact O-N 2.86Å; E230-C234 VanDerWaalsContact O-N 3.14Å; E230-C234 PolarHBondContact O-SG 3.27Å
231A92.9Very high86.1Confident4 Ų444 Ų443%0.03327%0.268CS..Hα-helixtrans-66.8-38.9176.300000111.2I149 A189 V191 W214 T227 L228 L229 C234I149-A231 HydrophobicContact CD1-CB 4.13Å; I149-A231 WeakPolarHBondContact CD1-O 2.88Å; I149-A231 HydrophobicContact CG2-CB 4.09Å; A189-A231 HydrophobicContact CB-CB 4.15Å; V191-A231 HydrophobicContact CG2-CB 4.08Å; W214-A231 HydrophobicContact CH2-CB 4.35Å; W214-A231 HydrophobicContact CZ2-CB 3.73Å; W214-A231 VanDerWaalsContact CZ2-N 3.28Å; T227-A231 PolarHBondContact O-N 3.26Å; L228-A231 WeakPolarHBondContact O-CB 3.26Å; L228-A231 PolarHBondContact O-N 3.3Å; L228-A231 VanDerWaalsContact O-N 3.07Å; L229-A231 VanDerWaalsContact C-N 3.27Å; L229-A231 PolarHBondContact O-N 3.07Å; A231-C234 PolarHBondContact O-N 3.13Å
232L92Very high85.6Confident4 Ų445.8 Ų45.82%0.02127%0.272CS..Hα-helixtrans-66.1-39.4173.9-58.2170.6000111.3I10 L27 F80 V113 I149 L228 L229 E230 C234 I235I10-L232 HydrophobicContact CD1-CD2 3.6Å; I10-L232 HydrophobicContact CD1-CG 4.48Å; L27-L232 HydrophobicContact CD1-CD1 4.21Å; F80-L232 HydrophobicContact CZ-CD1 4.06Å; V113-L232 HydrophobicContact CG2-CD2 3.72Å; I149-L232 HydrophobicContact CD1-CD2 3.85Å; L228-L232 WeakPolarHBondContact O-CG 3Å; L228-L232 PolarHBondContact O-N 2.92Å; L229-L232 WeakPolarHBondContact O-CB 3.43Å; L229-L232 PolarHBondContact O-N 3.44Å; E230-L232 VanDerWaalsContact C-N 3.35Å; L232-C234 PolarHBondContact O-N 3.47Å; L232-I235 HydrophobicContact CB-CD1 4.37Å; L232-I235 HydrophobicContact CD2-CD1 4.16Å; L232-I235 VanDerWaalsContact O-CB 3.3Å; L232-I235 WeakPolarHBondContact O-CB 3Å; L232-I235 WeakPolarHBondContact O-CD1 3.44Å; L232-I235 WeakPolarHBondContact O-CG1 3.48Å; L232-I235 PolarHBondContact O-N 3.29Å; L232-I235 VanDerWaalsContact O-N 3.14Å
233D90.2Very high84.7Confident15 Ų1547.7 Ų47.78%0.0828%0.282CS..Hα-helixtrans-68.5-12.4175-91.6-28000114.1T82 S83 K84 L229 E230T82-D233 WeakPolarHBondContact CB-OD1 3.25Å; T82-D233 PolarHBondContact OG1-OD1 3.32Å; S83-D233 PolarHBondContact N-OD2 3.35Å; S83-D233 VanDerWaalsContact OG-CG 3.25Å; S83-D233 PolarHBondContact OG-OD2 3.49Å; K84-D233 PolarHBondContact N-OD1 2.92Å; K84-D233 PolarHBondContact NZ-O 2.84Å; L229-D233 PolarHBondContact O-N 2.91Å; E230-D233 PolarHBondContact O-N 3.37Å
234C89.7Confident84Confident35 Ų3550.1 Ų50.124%0.23629%0.287CS..THydrogen-bonded Turntrans-98.16.7174.8-67.20000113.5W214 A223 E230 A231 L232 L236W214-C234 HydrophobicContact CH2-CB 3.92Å; W214-C234 HydrophobicContact CZ3-CB 4.5Å; A223-C234 HydrophobicContact CB-CB 4.07Å; E230-C234 PolarHBondContact O-N 2.86Å; E230-C234 VanDerWaalsContact O-N 3.14Å; E230-C234 PolarHBondContact O-SG 3.27Å; A231-C234 PolarHBondContact O-N 3.13Å; L232-C234 PolarHBondContact O-N 3.47Å; C234-L236 PolarHBondContact O-N 3.22Å
235I89.7Confident83.6Confident4 Ų447.3 Ų47.32%0.02127%0.267CS..PPolyproline II helixtrans-61.4132.3168.8-67.8168.5000108.5I8 I10 Y85 C111 I149 L232I8-I235 HydrophobicContact CD1-CB 4.29Å; I8-I235 HydrophobicContact CD1-CD1 3.9Å; I8-I235 HydrophobicContact CD1-CG2 4.29Å; I10-I235 HydrophobicContact CD1-CD1 3.43Å; I10-I235 VanDerWaalsContact CD1-CD1 3.43Å; I10-I235 HydrophobicContact CG1-CD1 4.1Å; Y85-I235 WeakPolarHBondContact CE2-O 3.2Å; Y85-I235 PolarHBondContact OH-O 3.03Å; C111-I235 HydrophobicContact CB-CD1 3.66Å; C111-I235 HydrophobicContact CB-CG1 4.06Å; C111-I235 HydrophobicContact CB-CG2 4.14Å; I149-I235 HydrophobicContact CD1-CD1 4.14Å; I149-I235 HydrophobicContact CD1-CG1 4.04Å; L232-I235 HydrophobicContact CB-CD1 4.37Å; L232-I235 HydrophobicContact CD2-CD1 4.16Å; L232-I235 VanDerWaalsContact O-CB 3.3Å; L232-I235 WeakPolarHBondContact O-CB 3Å; L232-I235 WeakPolarHBondContact O-CD1 3.44Å; L232-I235 WeakPolarHBondContact O-CG1 3.48Å; L232-I235 PolarHBondContact O-N 3.29Å; L232-I235 VanDerWaalsContact O-N 3.14Å
236L86.1Confident83.2Confident57 Ų5746.9 Ų46.930%0.29826%0.262SS..PPolyproline II helixtrans-73.8132.5172.2-63.5172.1000107.9Q147 D220 C234Q147-L236 PolarHBondContact NE2-O 3.15Å; D220-L236 HydrophobicContact CB-CD1 4.23Å; D220-L236 HydrophobicContact CB-CD2 4.36Å; C234-L236 PolarHBondContact O-N 3.22Å
237P81.2Confident82.9Confident69 Ų6945.6 Ų45.645%0.44825%0.253SS..PPolyproline II helixtrans-61.3135.3179.325.8-31.2000109T6 Y85T6-P237 HydrophobicContact CG2-CB 4.43Å; Y85-P237 HydrophobicContact CE1-CB 4.41Å; Y85-P237 WeakPolarHBondContact OH-CD 3.42Å
238P74.5Confident82.5Confident34 Ų3445.5 Ų45.522%0.22125%0.252CS..PPolyproline II helixtrans-63.1140.9176.730.7-38.5000109.6D110 R240D110-P238 HydrophobicContact CB-CB 4.25Å; D110-P238 HydrophobicContact CB-CG 4.19Å; D110-P238 VanDerWaalsContact CG-CG 3.48Å; D110-P238 VanDerWaalsContact OD1-CB 3.26Å; D110-P238 WeakPolarHBondContact OD1-CB 3.46Å; D110-P238 VanDerWaalsContact OD1-CG 3.31Å; D110-P238 WeakPolarHBondContact OD1-CG 3.49Å; P238-R240 HydrophobicContact CG-CG 4.48Å; P238-R240 PolarHBondContact O-N 3.14Å
239T69.1Low82.2Confident142 Ų14245.8 Ų45.887%0.87125%0.254SS*.  trans-7296.7166.8-46.10000107.8
240R68.6Low81.9Confident67 Ų6744.2 Ų44.225%0.25325%0.246SC..  trans-68.7124.6174.3-65-176.7-177.2-81.9-16.8108H7 P238 T242 P302H7-R240 PolarHBondContact O-NH2 3.49Å; P238-R240 HydrophobicContact CG-CG 4.48Å; P238-R240 PolarHBondContact O-N 3.14Å; R240-T242 VanDerWaalsContact C-N 3.27Å; R240-T242 PolarHBondContact O-N 2.77Å; R240-P302 PolarHBondContact NH1-O 2.94Å
241P64.8Low81.4Confident58 Ų5843.3 Ų43.338%0.37724%0.242SC..  trans-78.176-175.432.5-34.8000110.6D243 K244P241-D243 PolarHBondContact O-N 2.96Å; P241-K244 HydrophobicContact CB-CB 4.08Å; P241-K244 HydrophobicContact CB-CD 3.8Å; P241-K244 HydrophobicContact CB-CG 3.85Å
242T66.6Low80.9Confident78 Ų7846.1 Ų46.148%0.47926%0.256SS..THydrogen-bonded Turntrans-69.5-26.3174.750.70000112.5R240 P302R240-T242 VanDerWaalsContact C-N 3.27Å; R240-T242 PolarHBondContact O-N 2.77Å; T242-P302 HydrophobicContact CG2-CG 4.4Å
243D70.4Confident80.7Confident157 Ų15747 Ų4784%0.8426%0.262SS*.THydrogen-bonded Turntrans-89.8-4.5-174.7-53.8-25.9000113P241P241-D243 PolarHBondContact O-N 2.96Å
244K75.6Confident80.4Confident79 Ų7952.1 Ų52.134%0.34328%0.28SS..SBendtrans-88.4151.4179.1-68.7-167.5174.8-172.50110.9P241 D415 Y416P241-K244 HydrophobicContact CB-CB 4.08Å; P241-K244 HydrophobicContact CB-CD 3.8Å; P241-K244 HydrophobicContact CB-CG 3.85Å; K244-D415 WeakPolarHBondContact CD-O 3.33Å; K244-D415 PolarHBondContact NZ-O 3.45Å; K244-Y416 HydrophobicContact CB-CE1 4.48Å
245P83.1Confident80.3Confident27 Ų2758.8 Ų58.818%0.17531%0.305CS..PPolyproline II helixtrans-58.5151175-21.932.5000112.6R247 N329 D330 Y416P245-R247 PolarHBondContact O-N 3.01Å; P245-N329 WeakPolarHBondContact CB-O 3.19Å; P245-D330 HydrophobicContact CB-CB 3.98Å; P245-D330 HydrophobicContact CG-CB 3.89Å; P245-Y416 HydrophobicContact CB-CE1 4.49Å; P245-Y416 VanDerWaalsContact CB-OH 3.28Å; P245-Y416 WeakPolarHBondContact CB-OH 3.06Å; P245-Y416 WeakPolarHBondContact CD-OH 3.31Å; P245-Y416 WeakPolarHBondContact CG-OH 3.31Å; P245-Y416 WeakPolarHBondContact O-CE1 3.38Å
246L83.6Confident80Confident2 Ų261.8 Ų61.81%0.0132%0.321CS..PPolyproline II helixtrans-65.8131.1-172-17862.2000112L248 D268 W269 M274 V276 G325 D326L246-L248 HydrophobicContact CD1-CD1 3.91Å; L246-L248 HydrophobicContact CD1-CD2 3.94Å; L246-L248 HydrophobicContact CD1-CG 3.63Å; L246-L248 HydrophobicContact CD2-CD1 3.9Å; L246-L248 HydrophobicContact CD2-CG 4.33Å; L246-L248 HydrophobicContact CG-CD1 4.07Å; L246-L248 HydrophobicContact CG-CG 3.93Å; L246-D268 HydrophobicContact CD1-CB 4.01Å; L246-W269 WeakPolarHBondContact CD1-O 3.44Å; L246-M274 HydrophobicContact CD2-CE 3.91Å; L246-V276 HydrophobicContact CD2-CG1 4.41Å; L246-G325 WeakPolarHBondContact O-CA 3.14Å; L246-D326 HydrophobicContact CB-CB 4.21Å
247R87.1Confident79.8Confident11 Ų1162.7 Ų62.74%0.04234%0.344CS..  trans-137.6110.8170.7-69.6-63.3-175.2-79.8-1.2111.2P245 P249 D330 E411 Y416 L419P245-R247 PolarHBondContact O-N 3.01Å; R247-P249 WeakPolarHBondContact O-CD 3.35Å; R247-D330 IonicContact CZ-OD2 3.33Å; R247-D330 PolarHBondContact NH1-O 2.82Å; R247-D330 IonicContact NH1-OD2 3.31Å; R247-D330 PolarHBondContact NH2-O 2.96Å; R247-D330 IonicContact NH2-OD2 2.93Å; R247-D330 PolarHBondContact NH2-OD2 3.11Å; R247-E411 IonicContact CZ-OE1 2.72Å; R247-E411 IonicContact NE-OE1 2.68Å; R247-E411 PolarHBondContact NE-OE1 2.88Å; R247-E411 IonicContact NH2-OE1 2.9Å; R247-E411 PolarHBondContact NH2-OE1 2.78Å; R247-Y416 HydrophobicContact CB-CD1 4.4Å; R247-Y416 HydrophobicContact CG-CD1 3.54Å; R247-Y416 HydrophobicContact CG-CE1 3.71Å; R247-Y416 HydrophobicContact CG-CG 4.03Å; R247-L419 HydrophobicContact CB-CD1 4.09Å; R247-L419 HydrophobicContact CB-CD2 4.05Å; R247-L419 HydrophobicContact CG-CD2 4.09Å
248L87.1Confident79.7Confident0 Ų063.9 Ų63.90%037%0.368CS..EExtended strand (participates in β ladder)trans-12287.6-175.3-65.6179.4000110.5L246 L250 P265 G267 D268 C270 F308 A324L246-L248 HydrophobicContact CD1-CD1 3.91Å; L246-L248 HydrophobicContact CD1-CD2 3.94Å; L246-L248 HydrophobicContact CD1-CG 3.63Å; L246-L248 HydrophobicContact CD2-CD1 3.9Å; L246-L248 HydrophobicContact CD2-CG 4.33Å; L246-L248 HydrophobicContact CG-CD1 4.07Å; L246-L248 HydrophobicContact CG-CG 3.93Å; L248-L250 PolarHBondContact O-N 2.82Å; L248-P265 HydrophobicContact CB-CB 3.76Å; L248-P265 HydrophobicContact CB-CG 4.4Å; L248-P265 HydrophobicContact CD1-CG 4.43Å; L248-P265 HydrophobicContact CD2-CB 4.23Å; L248-P265 HydrophobicContact CD2-CG 4.29Å; L248-P265 HydrophobicContact CG-CB 4.43Å; L248-G267 WeakPolarHBondContact CD2-O 3.29Å; L248-D268 HydrophobicContact CD2-CB 3.72Å; L248-C270 HydrophobicContact CD1-CB 4.23Å; L248-F308 HydrophobicContact CD1-CE1 4.37Å; L248-A324 HydrophobicContact CB-CB 4.12Å; L248-A324 PolarHBondContact N-O 2.79Å; L248-A324 PolarHBondContact O-N 3.08Å
249P87.7Confident80Confident6 Ų665.5 Ų65.54%0.03938%0.375CS..EExtended strand (participates in β ladder)trans-67.2128.1173.825.3-29.5000110.6R247 P265 S266 V323 H362 T363 L419R247-P249 WeakPolarHBondContact O-CD 3.35Å; P249-P265 CarbonylContact O-C 3.56Å; P249-P265 VanDerWaalsContact O-CA 3.25Å; P249-P265 WeakPolarHBondContact O-CA 3.45Å; P249-S266 PolarHBondContact O-N 2.97Å; P249-V323 HydrophobicContact CB-CG2 4.32Å; P249-H362 HydrophobicContact CB-CB 4.05Å; P249-H362 HydrophobicContact CG-CB 4.34Å; P249-T363 HydrophobicContact CB-CG2 4.32Å; P249-L419 HydrophobicContact CG-CD1 4.31Å
250L87.8Confident80.9Confident0 Ų060.1 Ų60.10%035%0.348CS..EExtended strand (participates in β ladder)trans-78.4125.2-175.6-60.8-171.5000111.6L248 V253 P263 P265 F278 F308 V318 R320 G321 N322 T363L248-L250 PolarHBondContact O-N 2.82Å; L250-V253 HydrophobicContact CD1-CG2 3.99Å; L250-P263 HydrophobicContact CD1-CB 4.07Å; L250-P263 HydrophobicContact CD2-CB 3.63Å; L250-P263 HydrophobicContact CG-CB 4.47Å; L250-P265 HydrophobicContact CD2-CB 4.24Å; L250-F278 HydrophobicContact CD1-CD1 3.95Å; L250-F278 HydrophobicContact CD1-CE1 3.83Å; L250-F278 HydrophobicContact CD2-CE1 4.24Å; L250-F278 HydrophobicContact CG-CE1 4.43Å; L250-F308 HydrophobicContact CD2-CE1 4.37Å; L250-F308 HydrophobicContact CD2-CZ 4.37Å; L250-V318 HydrophobicContact CD1-CB 4.25Å; L250-R320 WeakPolarHBondContact O-CA 3.32Å; L250-G321 PolarHBondContact O-N 3.44Å; L250-G321 VanDerWaalsContact O-N 3.1Å; L250-N322 WeakPolarHBondContact CB-O 3.4Å; L250-N322 HydrophobicContact CD1-CB 4.12Å; L250-N322 WeakPolarHBondContact CG-O 3.36Å; L250-N322 PolarHBondContact N-O 3.13Å; L250-T363 WeakPolarHBondContact O-CB 2.94Å; L250-T363 PolarHBondContact O-OG1 3.33Å
251Q82.1Confident81.9Confident61 Ų6157.4 Ų57.429%0.28534%0.338SS..EExtended strand (participates in β ladder)trans-82.8-52170.4-69.3-172.9-21.300110.8V264 S266 R320 T363Q251-V264 PolarHBondContact N-O 2.88Å; Q251-S266 VanDerWaalsContact NE2-CB 3.32Å; Q251-R320 VanDerWaalsContact O-CB 3.27Å; Q251-R320 WeakPolarHBondContact O-CB 3.21Å; Q251-R320 WeakPolarHBondContact O-CD 3.24Å; Q251-R320 WeakPolarHBondContact O-CG 3.46Å; Q251-T363 HydrophobicContact CG-CG2 3.88Å
252D82.9Confident83Confident63 Ų6355.3 Ų55.334%0.33733%0.325SS..EExtended strand (participates in β ladder)trans-143.3159.5-177-74.7-57.9000111.1Y254 V264D252-Y254 HydrophobicContact CB-CD2 4.47Å; D252-Y254 HydrophobicContact CB-CE2 3.69Å; D252-V264 PolarHBondContact N-O 3.07Å; D252-V264 PolarHBondContact O-N 3.24Å
253V86Confident83.9Confident23 Ų2351.6 Ų51.614%0.13930%0.302CS..EExtended strand (participates in β ladder)trans-134.3119.6175.6-175.10000108.4L250 T261 P263 V315 V318L250-V253 HydrophobicContact CD1-CG2 3.99Å; V253-T261 HydrophobicContact CG1-CG2 3.73Å; V253-P263 HydrophobicContact CG2-CB 4.43Å; V253-V315 HydrophobicContact CB-CG1 4.32Å; V253-V315 HydrophobicContact CG1-CB 4.29Å; V253-V315 HydrophobicContact CG1-CG1 3.88Å; V253-V315 HydrophobicContact CG1-CG2 4.15Å; V253-V318 HydrophobicContact CG1-CG2 3.85Å; V253-V318 HydrophobicContact CG2-CG2 4.15Å
254Y85.4Confident84.5Confident121 Ų12145.6 Ų45.648%0.47527%0.27SS..EExtended strand (participates in β ladder)trans-108.8151.6-178.8-60.5-72.8000111.9D252 V262 V264D252-Y254 HydrophobicContact CB-CD2 4.47Å; D252-Y254 HydrophobicContact CB-CE2 3.69Å; Y254-V262 PolarHBondContact N-O 3.16Å; Y254-V262 PolarHBondContact O-N 3Å; Y254-V264 HydrophobicContact CD2-CG2 3.84Å; Y254-V264 HydrophobicContact CE2-CG2 3.81Å
255K86.4Confident84.6Confident175 Ų17541.8 Ų41.876%0.76125%0.254SS*.EExtended strand (participates in β ladder)trans-105.2112.2166.5-167175.9179.2179.90108.7V315K255-V315 HydrophobicContact CB-CG2 3.7Å; K255-V315 HydrophobicContact CG-CG2 4.25Å
256I84.1Confident83.7Confident68 Ų6841.6 Ų41.635%0.34925%0.253SS..EExtended strand (participates in β ladder)trans-105.2126.6178.7-53.6-175.9000109.3G258 I259 G260 V262I256-G258 PolarHBondContact O-N 2.94Å; I256-I259 HydrophobicContact CB-CB 4.06Å; I256-I259 HydrophobicContact CB-CG2 4.41Å; I256-I259 HydrophobicContact CG2-CB 4.09Å; I256-I259 HydrophobicContact CG2-CD1 3.98Å; I256-I259 HydrophobicContact CG2-CG1 4.37Å; I256-I259 PolarHBondContact O-N 2.82Å; I256-G260 PolarHBondContact N-O 3.37Å; I256-G260 PolarHBondContact O-N 2.82Å; I256-V262 HydrophobicContact CD1-CB 4.2Å; I256-V262 HydrophobicContact CD1-CG2 3.84Å; I256-V262 HydrophobicContact CG1-CG2 4.16Å
257G81.3Confident82.6Confident76 Ų7642.6 Ų42.678%0.78426%0.264SS*.THydrogen-bonded Turntrans-59.8129.7177.600000111.3I259G257-I259 PolarHBondContact O-N 2.85Å
258G79.8Confident81.3Confident93 Ų9343.7 Ų43.796%0.95927%0.27SS*.THydrogen-bonded Turntrans83.2-22.7-177.700000115.5I256I256-G258 PolarHBondContact O-N 2.94Å
259I81.4Confident80.2Confident69 Ų6946.5 Ų46.535%0.35428%0.281SS..THydrogen-bonded Turntrans-102.3-45.2-177.8-72.1174.8000111.1I256 G257 V262 N309I256-I259 HydrophobicContact CB-CB 4.06Å; I256-I259 HydrophobicContact CB-CG2 4.41Å; I256-I259 HydrophobicContact CG2-CB 4.09Å; I256-I259 HydrophobicContact CG2-CD1 3.98Å; I256-I259 HydrophobicContact CG2-CG1 4.37Å; I256-I259 PolarHBondContact O-N 2.82Å; G257-I259 PolarHBondContact O-N 2.85Å; I259-V262 HydrophobicContact CG2-CG2 3.71Å; I259-N309 HydrophobicContact CG2-CB 4.48Å; I259-N309 WeakPolarHBondContact CG2-ND2 3.14Å; I259-N309 PolarHBondContact O-ND2 3.05Å
260G86.6Confident79.4Confident29 Ų2946.2 Ų46.230%0.29928%0.279SS..EExtended strand (participates in β ladder)trans111.4-140.1-179.400000112.9I256I256-G260 PolarHBondContact N-O 3.37Å; I256-G260 PolarHBondContact O-N 2.82Å
261T89.7Confident79Confident10 Ų1047.4 Ų47.46%0.06129%0.287CS..EExtended strand (participates in β ladder)trans-88.1127.6-179.1-61.90000109.9V253 P263 V310 V313 V315 V318V253-T261 HydrophobicContact CG1-CG2 3.73Å; T261-P263 HydrophobicContact CG2-CG 4.43Å; T261-V310 HydrophobicContact CG2-CG2 3.97Å; T261-V310 PolarHBondContact O-N 3.44Å; T261-V313 VanDerWaalsContact CB-O 3.28Å; T261-V313 WeakPolarHBondContact CB-O 3.17Å; T261-V313 PolarHBondContact OG1-O 3.13Å; T261-V315 HydrophobicContact CG2-CG2 3.87Å; T261-V315 PolarHBondContact OG1-N 3.36Å; T261-V318 HydrophobicContact CG2-CG2 4.3Å
262V87.7Confident79.1Confident14 Ų1447 Ų479%0.08529%0.29CS..EExtended strand (participates in β ladder)trans-126.797.8-179.5-178.30000109.4Y254 I256 I259 F308Y254-V262 PolarHBondContact N-O 3.16Å; Y254-V262 PolarHBondContact O-N 3Å; I256-V262 HydrophobicContact CD1-CB 4.2Å; I256-V262 HydrophobicContact CD1-CG2 3.84Å; I256-V262 HydrophobicContact CG1-CG2 4.16Å; I259-V262 HydrophobicContact CG2-CG2 3.71Å; V262-F308 WeakPolarHBondContact CA-O 3.28Å
263P86.8Confident79.2Confident0 Ų046 Ų460%030%0.295CS..EExtended strand (participates in β ladder)trans-70.8142.4166.9-19.234.5000111.4L250 V253 T261 F278 F308 V310L250-P263 HydrophobicContact CD1-CB 4.07Å; L250-P263 HydrophobicContact CD2-CB 3.63Å; L250-P263 HydrophobicContact CG-CB 4.47Å; V253-P263 HydrophobicContact CG2-CB 4.43Å; T261-P263 HydrophobicContact CG2-CG 4.43Å; P263-F278 HydrophobicContact CG-CE1 4.28Å; P263-F278 HydrophobicContact CG-CZ 4.1Å; P263-F308 HydrophobicContact CB-CE1 4.02Å; P263-F308 HydrophobicContact CB-CE2 4.39Å; P263-F308 HydrophobicContact CB-CZ 3.89Å; P263-F308 WeakPolarHBondContact CD-O 3.13Å; P263-F308 HydrophobicContact CG-CE2 4.21Å; P263-F308 HydrophobicContact CG-CZ 4.17Å; P263-F308 PolarHBondContact O-N 3.09Å; P263-F308 VanDerWaalsContact O-N 3.08Å; P263-V310 HydrophobicContact CG-CG2 4.21Å
264V82.6Confident79.3Confident30 Ų3046.1 Ų46.118%0.18230%0.295CS..EExtended strand (participates in β ladder)trans-115.5106.7172.6-176.70000107Q251 D252 Y254Q251-V264 PolarHBondContact N-O 2.88Å; D252-V264 PolarHBondContact N-O 3.07Å; D252-V264 PolarHBondContact O-N 3.24Å; Y254-V264 HydrophobicContact CD2-CG2 3.84Å; Y254-V264 HydrophobicContact CE2-CG2 3.81Å
265P77.3Confident79.6Confident0 Ų042.6 Ų42.60%029%0.286CS..EExtended strand (participates in β ladder)trans-83.9163.9175.136.8-27000111.9L248 P249 L250 V306 F308L248-P265 HydrophobicContact CB-CB 3.76Å; L248-P265 HydrophobicContact CB-CG 4.4Å; L248-P265 HydrophobicContact CD1-CG 4.43Å; L248-P265 HydrophobicContact CD2-CB 4.23Å; L248-P265 HydrophobicContact CD2-CG 4.29Å; L248-P265 HydrophobicContact CG-CB 4.43Å; P249-P265 CarbonylContact O-C 3.56Å; P249-P265 VanDerWaalsContact O-CA 3.25Å; P249-P265 WeakPolarHBondContact O-CA 3.45Å; L250-P265 HydrophobicContact CD2-CB 4.24Å; P265-V306 WeakPolarHBondContact CD-O 3.21Å; P265-F308 HydrophobicContact CB-CE1 4.38Å; P265-F308 HydrophobicContact CG-CD1 4.07Å; P265-F308 HydrophobicContact CG-CE1 3.82Å
266S65.5Low79.8Confident23 Ų2334.3 Ų34.316%0.16125%0.249CC..SBendtrans-98104.7160.662.90000109.9P249 Q251P249-S266 PolarHBondContact O-N 2.97Å; Q251-S266 VanDerWaalsContact NE2-CB 3.32Å
267G59.8Low80.3Confident22 Ų2231.4 Ų31.423%0.22724%0.235CC..SBendtrans110.1-171.4170.700000115.3L248L248-G267 WeakPolarHBondContact CD2-O 3.29Å
268D60.3Low80.9Confident34 Ų3427.8 Ų27.818%0.18220%0.198CC..  trans30.2160.7176.7-93.4-39.7000122.7L246 L248 P302L246-D268 HydrophobicContact CD1-CB 4.01Å; L248-D268 HydrophobicContact CD2-CB 3.72Å; D268-P302 WeakPolarHBondContact OD1-CB 3.42Å; D268-P302 WeakPolarHBondContact OD1-CG 3.42Å
269W63.1Low81.6Confident59 Ų5923.4 Ų23.422%0.22315%0.152CC..  trans-69.2144.5-174.963.9-82.4000112.8L246 M274 A300 P302L246-W269 WeakPolarHBondContact CD1-O 3.44Å; W269-M274 HydrophobicContact CE3-SD 4.27Å; W269-M274 HydrophobicContact CH2-CE 3.86Å; W269-M274 HydrophobicContact CH2-SD 4.26Å; W269-M274 HydrophobicContact CZ3-CE 3.87Å; W269-M274 HydrophobicContact CZ3-SD 3.63Å; W269-A300 WeakPolarHBondContact CA-O 3.24Å; W269-A300 WeakPolarHBondContact CB-O 3.26Å; W269-P302 HydrophobicContact CB-CG 4.32Å
270C71.1Confident82.2Confident0 Ų020.8 Ų20.80%014%0.14CC..BIsolated β-bridgetrans-148.1135.9174.6-174.40000108.8L248 V290 A300L248-C270 HydrophobicContact CD1-CB 4.23Å; C270-V290 HydrophobicContact CB-CG2 4.32Å; C270-A300 PolarHBondContact N-O 3.21Å; C270-A300 PolarHBondContact O-N 2.86Å
271S78.6Confident82.5Confident25 Ų2521.8 Ų21.818%0.17514%0.14CC..  trans-114.8141.5178-48.50000110.3G273 M274S271-G273 PolarHBondContact O-N 2.91Å; S271-M274 PolarHBondContact N-SD 3.14Å; S271-M274 WeakPolarHBondContact O-CB 3.42Å; S271-M274 WeakPolarHBondContact O-CG 3Å; S271-M274 PolarHBondContact O-N 3.44Å
272P84.5Confident82.6Confident53 Ų5327.3 Ų27.334%0.34417%0.169SC..THydrogen-bonded Turntrans-51.6139.7166-24.835.2000111.5V290 S298P272-V290 HydrophobicContact CG-CG2 4.22Å; P272-S298 WeakPolarHBondContact CD-O 3.32Å
273G85.2Confident82.8Confident43 Ų4328.6 Ų28.644%0.44318%0.177SC..THydrogen-bonded Turntrans88.9-6.8-178.200000115S271 V287S271-G273 PolarHBondContact O-N 2.91Å; G273-V287 PolarHBondContact N-O 2.95Å
274M88.1Confident83.1Confident25 Ų2532.1 Ų32.112%0.12320%0.199CC..  trans-67.6143.6172.6-71.9-175.575.600111.4L246 W269 S271 V276 E286 V287 D326L246-M274 HydrophobicContact CD2-CE 3.91Å; W269-M274 HydrophobicContact CE3-SD 4.27Å; W269-M274 HydrophobicContact CH2-CE 3.86Å; W269-M274 HydrophobicContact CH2-SD 4.26Å; W269-M274 HydrophobicContact CZ3-CE 3.87Å; W269-M274 HydrophobicContact CZ3-SD 3.63Å; S271-M274 PolarHBondContact N-SD 3.14Å; S271-M274 WeakPolarHBondContact O-CB 3.42Å; S271-M274 WeakPolarHBondContact O-CG 3Å; S271-M274 PolarHBondContact O-N 3.44Å; M274-V276 HydrophobicContact CB-CG1 4.47Å; M274-E286 CarbonylContact O-C 3.54Å; M274-E286 WeakPolarHBondContact O-CA 3.48Å; M274-V287 PolarHBondContact O-N 2.85Å; M274-D326 HydrophobicContact CE-CB 4.13Å
275V91.3Very high83.6Confident47 Ų4731.3 Ų31.329%0.28519%0.194SC..EExtended strand (participates in β ladder)trans-99.1112.6174-172.80000107.8T284 T285 S327V275-T284 HydrophobicContact CG1-CG2 3.51Å; V275-T285 CarbonylContact C-O 3.57Å; V275-T285 WeakPolarHBondContact CA-O 3.44Å; V275-S327 WeakPolarHBondContact O-CB 3.45Å; V275-S327 PolarHBondContact O-N 3.37Å; V275-S327 PolarHBondContact O-OG 3.3Å
276V91.9Very high84.3Confident0 Ų035.2 Ų35.20%021%0.212CC..EExtended strand (participates in β ladder)trans-109.3140.3-174.9-630000111.8L246 M274 F278 T284 T285 V287 F308 G325 S327L246-V276 HydrophobicContact CD2-CG1 4.41Å; M274-V276 HydrophobicContact CB-CG1 4.47Å; V276-F278 HydrophobicContact CG2-CE2 4.05Å; V276-F278 HydrophobicContact CG2-CZ 4.23Å; V276-T284 CarbonylContact O-C 3.4Å; V276-T284 WeakPolarHBondContact O-CA 3.37Å; V276-T285 HydrophobicContact CG2-CG2 4.08Å; V276-T285 PolarHBondContact N-O 3.47Å; V276-T285 PolarHBondContact O-N 3.49Å; V276-V287 HydrophobicContact CB-CG2 4.45Å; V276-V287 HydrophobicContact CG1-CG2 3.76Å; V276-V287 HydrophobicContact CG2-CG2 3.79Å; V276-F308 HydrophobicContact CG2-CE2 4.33Å; V276-G325 CarbonylContact C-O 3.58Å; V276-G325 WeakPolarHBondContact CA-O 3.33Å; V276-S327 VanDerWaalsContact C-OG 3.22Å; V276-S327 PolarHBondContact N-OG 3.46Å
277T94.3Very high85.5Confident8 Ų834.1 Ų34.15%0.04920%0.204CC..EExtended strand (participates in β ladder)trans-105.7132.4172.3-58.20000109.6V283 T284 A324 G325 S327T277-V283 CarbonylContact C-O 3.57Å; T277-V283 WeakPolarHBondContact CA-O 3.3Å; T277-T284 PolarHBondContact OG1-OG1 3.21Å; T277-A324 CarbonylContact O-C 3.49Å; T277-A324 WeakPolarHBondContact O-CA 3.41Å; T277-G325 PolarHBondContact N-O 3.49Å; T277-G325 PolarHBondContact O-N 3.49Å; T277-S327 PolarHBondContact N-OG 2.67Å; T277-S327 WeakPolarHBondContact OG1-CB 3.47Å; T277-S327 PolarHBondContact OG1-OG 3.2Å
278F94Very high86.8Confident0 Ų038.2 Ų38.20%022%0.216CC..EExtended strand (participates in β ladder)trans-97.6117.5175.2-66.2-84.6000111L250 P263 V276 V281 N282 V283 T285 F308 V310 V318 V323 A324L250-F278 HydrophobicContact CD1-CD1 3.95Å; L250-F278 HydrophobicContact CD1-CE1 3.83Å; L250-F278 HydrophobicContact CD2-CE1 4.24Å; L250-F278 HydrophobicContact CG-CE1 4.43Å; P263-F278 HydrophobicContact CG-CE1 4.28Å; P263-F278 HydrophobicContact CG-CZ 4.1Å; V276-F278 HydrophobicContact CG2-CE2 4.05Å; V276-F278 HydrophobicContact CG2-CZ 4.23Å; F278-V281 HydrophobicContact CB-CG2 3.78Å; F278-V281 WeakPolarHBondContact O-CG2 3.46Å; F278-V281 PolarHBondContact O-N 2.78Å; F278-N282 WeakPolarHBondContact O-CA 3.47Å; F278-N282 PolarHBondContact O-N 2.75Å; F278-V283 PolarHBondContact N-O 3.04Å; F278-V283 PolarHBondContact O-N 3.05Å; F278-T285 HydrophobicContact CD2-CG2 4.4Å; F278-T285 HydrophobicContact CE2-CG2 3.65Å; F278-F308 HydrophobicContact CE1-CE2 4.4Å; F278-F308 HydrophobicContact CE1-CZ 4.05Å; F278-F308 AromaticContact CZ-CE2 3.86Å; F278-F308 HydrophobicContact CZ-CE2 3.86Å; F278-F308 AromaticContact CZ-CZ 3.98Å; F278-F308 HydrophobicContact CZ-CZ 3.98Å; F278-V310 HydrophobicContact CE2-CG1 4.31Å; F278-V310 HydrophobicContact CZ-CG1 4.12Å; F278-V318 HydrophobicContact CB-CG1 3.95Å; F278-V318 HydrophobicContact CD1-CG1 3.87Å; F278-V318 HydrophobicContact CD2-CG1 3.9Å; F278-V318 HydrophobicContact CE1-CG1 4.31Å; F278-V318 HydrophobicContact CE2-CG1 4.34Å; F278-V318 HydrophobicContact CG-CG1 3.64Å; F278-V323 CarbonylContact C-O 3.55Å; F278-V323 WeakPolarHBondContact CA-O 3.49Å; F278-A324 HydrophobicContact CD1-CB 3.64Å; F278-A324 HydrophobicContact CE1-CB 3.52Å; F278-A324 HydrophobicContact CG-CB 4.47Å; F278-A324 HydrophobicContact CZ-CB 4.26Å
279A94.6Very high88Confident1 Ų138.1 Ų38.11%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-97.1148.1170.900000111.2N322 V323 P332 C409A279-N322 CarbonylContact O-C 3.48Å; A279-N322 WeakPolarHBondContact O-CA 3.3Å; A279-N322 VanDerWaalsContact O-CB 3.26Å; A279-N322 WeakPolarHBondContact O-CB 3.38Å; A279-V323 PolarHBondContact N-O 3.31Å; A279-V323 PolarHBondContact O-N 3.04Å; A279-P332 HydrophobicContact CB-CB 3.7Å; A279-P332 HydrophobicContact CB-CG 3.94Å; A279-P332 WeakPolarHBondContact CB-O 3.47Å; A279-C409 HydrophobicContact CB-CB 3.85Å
280P93.4Very high89Confident14 Ų1435.4 Ų35.49%0.09121%0.208CC..THydrogen-bonded Turncis-86.21.5134.9-35000113.9N282 N322 E334 P407P280-N282 PolarHBondContact O-N 2.78Å; P280-N322 WeakPolarHBondContact CD-ND2 3.41Å; P280-E334 HydrophobicContact CB-CB 3.66Å; P280-E334 HydrophobicContact CB-CG 3.76Å; P280-P407 HydrophobicContact CB-CB 3.88Å; P280-P407 HydrophobicContact CG-CB 3.6Å
281V93.3Very high89.4Confident49 Ų4938.2 Ų38.230%0.29722%0.221SC..THydrogen-bonded Turntrans-72.3-11.5-173-630000114.4F278 V283 V318F278-V281 HydrophobicContact CB-CG2 3.78Å; F278-V281 WeakPolarHBondContact O-CG2 3.46Å; F278-V281 PolarHBondContact O-N 2.78Å; V281-V283 VanDerWaalsContact C-N 3.29Å; V281-V283 HydrophobicContact CB-CG2 4.25Å; V281-V283 HydrophobicContact CG2-CB 4.18Å; V281-V283 HydrophobicContact CG2-CG2 3.91Å; V281-V283 PolarHBondContact O-N 3.22Å; V281-V318 HydrophobicContact CG2-CG1 4.33Å
282N91.9Very high89Confident127 Ų12739.6 Ų39.668%0.67923%0.225SC*.THydrogen-bonded Turntrans53.740.4179.8-160.223000113.9F278 P280F278-N282 WeakPolarHBondContact O-CA 3.47Å; F278-N282 PolarHBondContact O-N 2.75Å; P280-N282 PolarHBondContact O-N 2.78Å
283V92.4Very high88.1Confident40 Ų4044.6 Ų44.624%0.24224%0.243CC..EExtended strand (participates in β ladder)trans-96.3126.9176.31760000108.7T277 F278 V281 V313T277-V283 CarbonylContact C-O 3.57Å; T277-V283 WeakPolarHBondContact CA-O 3.3Å; F278-V283 PolarHBondContact N-O 3.04Å; F278-V283 PolarHBondContact O-N 3.05Å; V281-V283 VanDerWaalsContact C-N 3.29Å; V281-V283 HydrophobicContact CB-CG2 4.25Å; V281-V283 HydrophobicContact CG2-CB 4.18Å; V281-V283 HydrophobicContact CG2-CG2 3.91Å; V281-V283 PolarHBondContact O-N 3.22Å; V283-V313 HydrophobicContact CG1-CG1 4.37Å; V283-V313 HydrophobicContact CG1-CG2 3.57Å
284T93.1Very high87.3Confident75 Ų7551.3 Ų51.346%0.4626%0.263SS..EExtended strand (participates in β ladder)trans-112.4134.3179.2-62.70000110.9V275 V276 T277 S327V275-T284 HydrophobicContact CG1-CG2 3.51Å; V276-T284 CarbonylContact O-C 3.4Å; V276-T284 WeakPolarHBondContact O-CA 3.37Å; T277-T284 PolarHBondContact OG1-OG1 3.21Å; T284-S327 VanDerWaalsContact CG2-OG 3.31Å; T284-S327 WeakPolarHBondContact CG2-OG 3.5Å
285T93Very high86.5Confident12 Ų1257 Ų577%0.07429%0.289CS..EExtended strand (participates in β ladder)trans-153.8164.8-178.2-1710000112.5V275 V276 F278 V310 K311 V313V275-T285 CarbonylContact C-O 3.57Å; V275-T285 WeakPolarHBondContact CA-O 3.44Å; V276-T285 HydrophobicContact CG2-CG2 4.08Å; V276-T285 PolarHBondContact N-O 3.47Å; V276-T285 PolarHBondContact O-N 3.49Å; F278-T285 HydrophobicContact CD2-CG2 4.4Å; F278-T285 HydrophobicContact CE2-CG2 3.65Å; T285-V310 HydrophobicContact CG2-CB 3.62Å; T285-V310 HydrophobicContact CG2-CG1 3.64Å; T285-V310 HydrophobicContact CG2-CG2 4.47Å; T285-K311 PolarHBondContact OG1-N 3.1Å; T285-K311 PolarHBondContact OG1-O 3.01Å; T285-V313 HydrophobicContact CG2-CG2 3.79Å
286E91.2Very high85.7Confident83 Ų8358.7 Ų58.739%0.38831%0.308SS..EExtended strand (participates in β ladder)trans-92.9134.6176.3-171.8-169.5-173.900110.8M274 K311M274-E286 CarbonylContact O-C 3.54Å; M274-E286 WeakPolarHBondContact O-CA 3.48Å; E286-K311 PolarHBondContact O-N 2.59Å; E286-K311 IonicContact OE2-NZ 3.75Å
287V90.1Very high84.7Confident0 Ų060.8 Ų60.80%032%0.319CS..EExtended strand (participates in β ladder)trans-76.6119.2171.8-179.30000109.1G273 M274 V276 V290 F308 N309G273-V287 PolarHBondContact N-O 2.95Å; M274-V287 PolarHBondContact O-N 2.85Å; V276-V287 HydrophobicContact CB-CG2 4.45Å; V276-V287 HydrophobicContact CG1-CG2 3.76Å; V276-V287 HydrophobicContact CG2-CG2 3.79Å; V287-V290 HydrophobicContact CG1-CG2 3.88Å; V287-F308 HydrophobicContact CG1-CB 3.92Å; V287-F308 HydrophobicContact CG1-CD2 4.12Å; V287-F308 HydrophobicContact CG1-CG 4.43Å; V287-F308 HydrophobicContact CG2-CD2 3.87Å; V287-F308 HydrophobicContact CG2-CE2 4.24Å; V287-N309 CarbonylContact C-O 3.56Å; V287-N309 WeakPolarHBondContact CA-O 3.44Å
288K88.3Confident83.7Confident108 Ų10865.8 Ų65.847%0.4735%0.354SS..EExtended strand (participates in β ladder)trans-82.9-45.4179.1-92.5-158.7-92-151.60114.1N309 K311K288-N309 HydrophobicContact CB-CB 4.18Å; K288-N309 WeakPolarHBondContact CB-OD1 3.21Å; K288-N309 WeakPolarHBondContact CE-OD1 3.2Å; K288-N309 PolarHBondContact N-O 2.69Å; K288-K311 HydrophobicContact CD-CD 4.09Å; K288-K311 HydrophobicContact CD-CG 3.93Å; K288-K311 HydrophobicContact CG-CD 4.16Å; K288-K311 HydrophobicContact CG-CG 3.9Å
289S85.3Confident82.6Confident32 Ų3270.5 Ų70.522%0.22438%0.376CS..EExtended strand (participates in β ladder)trans-150.8153.1-174.758.30000108.5F308 N309S289-F308 CarbonylContact O-C 3.53Å; S289-F308 VanDerWaalsContact O-CA 3.32Å; S289-F308 WeakPolarHBondContact O-CA 3.16Å; S289-N309 PolarHBondContact O-N 3.46Å; S289-N309 WeakPolarHBondContact OG-CB 3.46Å
290V84.4Confident81.3Confident1 Ų170.5 Ų70.51%0.00638%0.376CS..EExtended strand (participates in β ladder)trans-123130.6173.7-175.40000106.3C270 P272 V287 L297 A300 V306 F308C270-V290 HydrophobicContact CB-CG2 4.32Å; P272-V290 HydrophobicContact CG-CG2 4.22Å; V287-V290 HydrophobicContact CG1-CG2 3.88Å; V290-L297 PolarHBondContact O-N 2.92Å; V290-A300 HydrophobicContact CG1-CB 3.94Å; V290-V306 HydrophobicContact CG1-CB 3.74Å; V290-V306 HydrophobicContact CG1-CG1 4.19Å; V290-V306 HydrophobicContact CG1-CG2 3.96Å; V290-F308 HydrophobicContact CG2-CB 4.05Å
291E79.1Confident80Confident60 Ų6074.4 Ų74.428%0.2840%0.396SS..EExtended strand (participates in β ladder)trans-129.7138.6-174-69.3178.1-158.900110.4E295 V306 G307E291-E295 CarbonylContact C-O 3.45Å; E291-E295 VanDerWaalsContact CA-O 3.24Å; E291-E295 WeakPolarHBondContact CA-O 3.35Å; E291-V306 CarbonylContact O-C 3.6Å; E291-V306 WeakPolarHBondContact O-CA 3.32Å; E291-G307 PolarHBondContact N-O 3.32Å; E291-G307 PolarHBondContact O-N 2.88Å
292M70.4Confident78.5Confident54 Ų5473.1 Ų73.127%0.26639%0.388SS..EExtended strand (participates in β ladder)trans-128.4125.2171.1-170.9176.963.400108.1H294 E295 L297 D304 V306M292-H294 PolarHBondContact O-N 2.82Å; M292-H294 VanDerWaalsContact O-N 3.16Å; M292-E295 PolarHBondContact N-O 3.09Å; M292-E295 PolarHBondContact O-N 3.46Å; M292-L297 HydrophobicContact CB-CD1 3.54Å; M292-L297 HydrophobicContact CB-CG 4.17Å; M292-L297 HydrophobicContact CE-CD1 4.32Å; M292-L297 HydrophobicContact SD-CD1 4.46Å; M292-D304 HydrophobicContact SD-CB 4.05Å; M292-V306 HydrophobicContact CB-CG1 4.17Å; M292-V306 HydrophobicContact CG-CG1 4.5Å
293H65.4Low76.8Confident157 Ų15768.7 Ų68.773%0.72737%0.373SS*.THydrogen-bonded Turntrans51.338179.8-61.8-59.9000115.2E295H293-E295 VanDerWaalsContact C-N 3.27Å; H293-E295 PolarHBondContact O-N 3.15Å
294H67Low75.4Confident185 Ų18569.1 Ų69.186%0.85637%0.374SS*.THydrogen-bonded Turntrans69.913.5-177-48.9-67.7000115.7M292M292-H294 PolarHBondContact O-N 2.82Å; M292-H294 VanDerWaalsContact O-N 3.16Å
295E71.7Confident74Confident144 Ų14469.7 Ų69.767%0.67337%0.374SS*.EExtended strand (participates in β ladder)trans-108.9136.3170-64.5-173.9171.400110.1E291 M292 H293E291-E295 CarbonylContact C-O 3.45Å; E291-E295 VanDerWaalsContact CA-O 3.24Å; E291-E295 WeakPolarHBondContact CA-O 3.35Å; M292-E295 PolarHBondContact N-O 3.09Å; M292-E295 PolarHBondContact O-N 3.46Å; H293-E295 VanDerWaalsContact C-N 3.27Å; H293-E295 PolarHBondContact O-N 3.15Å
296A74.3Confident72.9Confident82 Ų8269.1 Ų69.168%0.67837%0.37SS*.EExtended strand (participates in β ladder)trans-76.5131.4177.300000110.4
297L71.8Confident72.5Confident45 Ų4565.8 Ų65.824%0.23636%0.358CS..EExtended strand (participates in β ladder)trans-104.6141.7176.6-65177.1000110.4V290 M292 E299 V306V290-L297 PolarHBondContact O-N 2.92Å; M292-L297 HydrophobicContact CB-CD1 3.54Å; M292-L297 HydrophobicContact CB-CG 4.17Å; M292-L297 HydrophobicContact CE-CD1 4.32Å; M292-L297 HydrophobicContact SD-CD1 4.46Å; L297-E299 VanDerWaalsContact C-N 3.35Å; L297-V306 HydrophobicContact CD1-CG1 3.88Å
298S73.1Confident72.3Confident112 Ų11265.8 Ų65.878%0.78336%0.358SS*.SBendtrans-73.3-30.9170.351.70000112.1P272P272-S298 WeakPolarHBondContact CD-O 3.32Å
299E71.1Confident72.3Confident100 Ų10060.9 Ų60.947%0.46734%0.337SS..  trans-156132.3178.2-174.8170.4-15800107.8L297L297-E299 VanDerWaalsContact C-N 3.35Å
300A67.2Low72.5Confident0 Ų059.6 Ų59.60%033%0.328CS..BIsolated β-bridgetrans-84.2144.4167.100000109.3W269 C270 V290 V306W269-A300 WeakPolarHBondContact CA-O 3.24Å; W269-A300 WeakPolarHBondContact CB-O 3.26Å; C270-A300 PolarHBondContact N-O 3.21Å; C270-A300 PolarHBondContact O-N 2.86Å; V290-A300 HydrophobicContact CG1-CB 3.94Å; A300-V306 HydrophobicContact CB-CB 4.14Å; A300-V306 HydrophobicContact CB-CG1 3.58Å; A300-V306 HydrophobicContact CB-CG2 3.72Å
301L66Low72.5Confident97 Ų9763.1 Ų63.151%0.50834%0.343SS..  trans-103.5160.6175.4-66.3176.3000111.5G303 D304L301-G303 PolarHBondContact O-N 3.22Å; L301-D304 PolarHBondContact N-OD2 3.36Å; L301-D304 PolarHBondContact O-N 3.48Å; L301-D304 VanDerWaalsContact O-N 3.1Å
302P60.9Low72.8Confident21 Ų2168.3 Ų68.314%0.13637%0.373CS..THydrogen-bonded Turntrans-60.4110.1178.5-25.837.3000113.6R240 T242 D268 W269R240-P302 PolarHBondContact NH1-O 2.94Å; T242-P302 HydrophobicContact CG2-CG 4.4Å; D268-P302 WeakPolarHBondContact OD1-CB 3.42Å; D268-P302 WeakPolarHBondContact OD1-CG 3.42Å; W269-P302 HydrophobicContact CB-CG 4.32Å
303G56.6Low73.7Confident34 Ų3466.2 Ų66.235%0.35136%0.363SS..THydrogen-bonded Turntrans116.4-6.6-179.300000114.4L301L301-G303 PolarHBondContact O-N 3.22Å
304D63.5Low74.8Confident49 Ų4961.3 Ų61.326%0.26235%0.347SS..  trans-76.1138.5172.5-64-26.1000110.8M292 L301 V306M292-D304 HydrophobicContact SD-CB 4.05Å; L301-D304 PolarHBondContact N-OD2 3.36Å; L301-D304 PolarHBondContact O-N 3.48Å; L301-D304 VanDerWaalsContact O-N 3.1Å; D304-V306 HydrophobicContact CB-CG1 3.63Å; D304-V306 PolarHBondContact O-N 2.85Å
305N62.7Low75.8Confident87 Ų8754.7 Ų54.747%0.46532%0.319SS..  trans-88.984.6173.2-69.2-48.6000108.7
306V71.2Confident76.6Confident0 Ų057.1 Ų57.10%033%0.327CS..  trans-102.8141.1-173.3-62.60000112.3P265 V290 E291 M292 L297 A300 D304P265-V306 WeakPolarHBondContact CD-O 3.21Å; V290-V306 HydrophobicContact CG1-CB 3.74Å; V290-V306 HydrophobicContact CG1-CG1 4.19Å; V290-V306 HydrophobicContact CG1-CG2 3.96Å; E291-V306 CarbonylContact O-C 3.6Å; E291-V306 WeakPolarHBondContact O-CA 3.32Å; M292-V306 HydrophobicContact CB-CG1 4.17Å; M292-V306 HydrophobicContact CG-CG1 4.5Å; L297-V306 HydrophobicContact CD1-CG1 3.88Å; A300-V306 HydrophobicContact CB-CB 4.14Å; A300-V306 HydrophobicContact CB-CG1 3.58Å; A300-V306 HydrophobicContact CB-CG2 3.72Å; D304-V306 HydrophobicContact CB-CG1 3.63Å; D304-V306 PolarHBondContact O-N 2.85Å
307G81.8Confident77.2Confident13 Ų1356.6 Ų56.613%0.13431%0.313CS..EExtended strand (participates in β ladder)trans-94.5138.5163.500000109.2E291E291-G307 PolarHBondContact N-O 3.32Å; E291-G307 PolarHBondContact O-N 2.88Å
308F86.7Confident78.1Confident0 Ų054.5 Ų54.50%030%0.302CS..EExtended strand (participates in β ladder)trans-121.9140.8175.265.6-88.2000111.7L248 L250 V262 P263 P265 V276 F278 V287 S289 V290 V310 A324L248-F308 HydrophobicContact CD1-CE1 4.37Å; L250-F308 HydrophobicContact CD2-CE1 4.37Å; L250-F308 HydrophobicContact CD2-CZ 4.37Å; V262-F308 WeakPolarHBondContact CA-O 3.28Å; P263-F308 HydrophobicContact CB-CE1 4.02Å; P263-F308 HydrophobicContact CB-CE2 4.39Å; P263-F308 HydrophobicContact CB-CZ 3.89Å; P263-F308 WeakPolarHBondContact CD-O 3.13Å; P263-F308 HydrophobicContact CG-CE2 4.21Å; P263-F308 HydrophobicContact CG-CZ 4.17Å; P263-F308 PolarHBondContact O-N 3.09Å; P263-F308 VanDerWaalsContact O-N 3.08Å; P265-F308 HydrophobicContact CB-CE1 4.38Å; P265-F308 HydrophobicContact CG-CD1 4.07Å; P265-F308 HydrophobicContact CG-CE1 3.82Å; V276-F308 HydrophobicContact CG2-CE2 4.33Å; F278-F308 HydrophobicContact CE1-CE2 4.4Å; F278-F308 HydrophobicContact CE1-CZ 4.05Å; F278-F308 AromaticContact CZ-CE2 3.86Å; F278-F308 HydrophobicContact CZ-CE2 3.86Å; F278-F308 AromaticContact CZ-CZ 3.98Å; F278-F308 HydrophobicContact CZ-CZ 3.98Å; V287-F308 HydrophobicContact CG1-CB 3.92Å; V287-F308 HydrophobicContact CG1-CD2 4.12Å; V287-F308 HydrophobicContact CG1-CG 4.43Å; V287-F308 HydrophobicContact CG2-CD2 3.87Å; V287-F308 HydrophobicContact CG2-CE2 4.24Å; S289-F308 CarbonylContact O-C 3.53Å; S289-F308 VanDerWaalsContact O-CA 3.32Å; S289-F308 WeakPolarHBondContact O-CA 3.16Å; V290-F308 HydrophobicContact CG2-CB 4.05Å; F308-V310 HydrophobicContact CD2-CG1 3.65Å; F308-V310 HydrophobicContact CE2-CG1 3.53Å; F308-A324 HydrophobicContact CZ-CB 4.23Å
309N88.4Confident79Confident6 Ų655 Ų553%0.03229%0.287CS..EExtended strand (participates in β ladder)trans-86.8135.2178.3-177.8-86000110.8I259 V287 K288 S289I259-N309 HydrophobicContact CG2-CB 4.48Å; I259-N309 WeakPolarHBondContact CG2-ND2 3.14Å; I259-N309 PolarHBondContact O-ND2 3.05Å; V287-N309 CarbonylContact C-O 3.56Å; V287-N309 WeakPolarHBondContact CA-O 3.44Å; K288-N309 HydrophobicContact CB-CB 4.18Å; K288-N309 WeakPolarHBondContact CB-OD1 3.21Å; K288-N309 WeakPolarHBondContact CE-OD1 3.2Å; K288-N309 PolarHBondContact N-O 2.69Å; S289-N309 PolarHBondContact O-N 3.46Å; S289-N309 WeakPolarHBondContact OG-CB 3.46Å
310V89.1Confident79.7Confident5 Ų557.6 Ų57.63%0.0329%0.293CS..EExtended strand (participates in β ladder)trans-121.7144.1174.9-67.70000112.7T261 P263 F278 T285 F308 V313T261-V310 HydrophobicContact CG2-CG2 3.97Å; T261-V310 PolarHBondContact O-N 3.44Å; P263-V310 HydrophobicContact CG-CG2 4.21Å; F278-V310 HydrophobicContact CE2-CG1 4.31Å; F278-V310 HydrophobicContact CZ-CG1 4.12Å; T285-V310 HydrophobicContact CG2-CB 3.62Å; T285-V310 HydrophobicContact CG2-CG1 3.64Å; T285-V310 HydrophobicContact CG2-CG2 4.47Å; F308-V310 HydrophobicContact CD2-CG1 3.65Å; F308-V310 HydrophobicContact CE2-CG1 3.53Å; V310-V313 HydrophobicContact CG2-CB 4.07Å
311K84.9Confident80.7Confident75 Ų7558 Ų5833%0.32630%0.296SS..SBendtrans-83.7151.3174.5-71.9-170.8-135.6-179.60111.9T285 E286 K288 V313T285-K311 PolarHBondContact OG1-N 3.1Å; T285-K311 PolarHBondContact OG1-O 3.01Å; E286-K311 PolarHBondContact O-N 2.59Å; E286-K311 IonicContact OE2-NZ 3.75Å; K288-K311 HydrophobicContact CD-CD 4.09Å; K288-K311 HydrophobicContact CD-CG 3.93Å; K288-K311 HydrophobicContact CG-CD 4.16Å; K288-K311 HydrophobicContact CG-CG 3.9Å; K311-V313 WeakPolarHBondContact O-CG2 3.44Å; K311-V313 PolarHBondContact O-N 3.45Å
312N84.6Confident82Confident168 Ų16853.5 Ų53.590%0.89827%0.273SS*.SBendtrans56.120.1163.7-55-25.3000115.8
313V89.2Confident83.4Confident11 Ų1152.5 Ų52.57%0.06727%0.266CS..  trans-117.5128.7174.6177.90000107.9T261 V283 T285 V310 K311 D317 V318T261-V313 VanDerWaalsContact CB-O 3.28Å; T261-V313 WeakPolarHBondContact CB-O 3.17Å; T261-V313 PolarHBondContact OG1-O 3.13Å; V283-V313 HydrophobicContact CG1-CG1 4.37Å; V283-V313 HydrophobicContact CG1-CG2 3.57Å; T285-V313 HydrophobicContact CG2-CG2 3.79Å; V310-V313 HydrophobicContact CG2-CB 4.07Å; K311-V313 WeakPolarHBondContact O-CG2 3.44Å; K311-V313 PolarHBondContact O-N 3.45Å; V313-D317 HydrophobicContact CG1-CB 4.11Å; V313-V318 HydrophobicContact CG1-CG1 3.87Å; V313-V318 HydrophobicContact CG1-CG2 3.89Å
314S88.9Confident85.1Confident54 Ų5450.9 Ų50.938%0.37825%0.249SC..  trans-82151.2174.1-174.10000110.5K316 D317S314-K316 PolarHBondContact O-N 3.13Å; S314-K316 PolarHBondContact OG-N 3.02Å; S314-D317 WeakPolarHBondContact CA-OD2 2.99Å; S314-D317 WeakPolarHBondContact CB-OD2 3.41Å; S314-D317 PolarHBondContact N-OD2 3.2Å; S314-D317 WeakPolarHBondContact O-CB 3.36Å; S314-D317 PolarHBondContact O-N 2.79Å
315V87.4Confident86.4Confident46 Ų4648.5 Ų48.528%0.27924%0.237SC..THydrogen-bonded Turntrans-59.5-15.3169.7-1790000112.5V253 K255 T261V253-V315 HydrophobicContact CB-CG1 4.32Å; V253-V315 HydrophobicContact CG1-CB 4.29Å; V253-V315 HydrophobicContact CG1-CG1 3.88Å; V253-V315 HydrophobicContact CG1-CG2 4.15Å; K255-V315 HydrophobicContact CB-CG2 3.7Å; K255-V315 HydrophobicContact CG-CG2 4.25Å; T261-V315 HydrophobicContact CG2-CG2 3.87Å; T261-V315 PolarHBondContact OG1-N 3.36Å
316K88.5Confident87.7Confident194 Ų19445.7 Ų45.784%0.84322%0.222SC*.THydrogen-bonded Turntrans-81.4-21.9173.6-64.2-175.3178.6-178.10113.5S314S314-K316 PolarHBondContact O-N 3.13Å; S314-K316 PolarHBondContact OG-N 3.02Å
317D88.5Confident88.6Confident72 Ų7247.2 Ų47.239%0.38523%0.232SC..THydrogen-bonded Turntrans-86.4-27.1-172.9-53.4-28.8000111.4V313 S314V313-D317 HydrophobicContact CG1-CB 4.11Å; S314-D317 WeakPolarHBondContact CA-OD2 2.99Å; S314-D317 WeakPolarHBondContact CB-OD2 3.41Å; S314-D317 PolarHBondContact N-OD2 3.2Å; S314-D317 WeakPolarHBondContact O-CB 3.36Å; S314-D317 PolarHBondContact O-N 2.79Å
318V90.8Very high88.9Confident1 Ų155 Ų551%0.00626%0.262CS..  trans-122.9142.9178-67.70000110.3L250 V253 T261 F278 V281 V313 N322L250-V318 HydrophobicContact CD1-CB 4.25Å; V253-V318 HydrophobicContact CG1-CG2 3.85Å; V253-V318 HydrophobicContact CG2-CG2 4.15Å; T261-V318 HydrophobicContact CG2-CG2 4.3Å; F278-V318 HydrophobicContact CB-CG1 3.95Å; F278-V318 HydrophobicContact CD1-CG1 3.87Å; F278-V318 HydrophobicContact CD2-CG1 3.9Å; F278-V318 HydrophobicContact CE1-CG1 4.31Å; F278-V318 HydrophobicContact CE2-CG1 4.34Å; F278-V318 HydrophobicContact CG-CG1 3.64Å; V281-V318 HydrophobicContact CG2-CG1 4.33Å; V313-V318 HydrophobicContact CG1-CG1 3.87Å; V313-V318 HydrophobicContact CG1-CG2 3.89Å; V318-N322 WeakPolarHBondContact CA-OD1 3.4Å
319R90.8Very high88.9Confident122 Ų12258.8 Ų58.846%0.4628%0.283SS..  trans-143.6167.8-177.861.5175.6-176.4-95.2-1.3111.6G321 N322R319-G321 PolarHBondContact O-N 3.16Å; R319-N322 PolarHBondContact N-OD1 2.96Å; R319-N322 VanDerWaalsContact O-CB 3.3Å; R319-N322 WeakPolarHBondContact O-CB 3.19Å; R319-N322 VanDerWaalsContact O-CG 3.27Å; R319-N322 PolarHBondContact O-N 3.47Å; R319-N322 PolarHBondContact O-OD1 3.11Å
320R87.1Confident89Confident155 Ų15562.3 Ų62.359%0.58530%0.302SS*.THydrogen-bonded Turntrans-48.3135167.2179.5173.4177.3159.5-0.4111.1L250 Q251 N322L250-R320 WeakPolarHBondContact O-CA 3.32Å; Q251-R320 VanDerWaalsContact O-CB 3.27Å; Q251-R320 WeakPolarHBondContact O-CB 3.21Å; Q251-R320 WeakPolarHBondContact O-CD 3.24Å; Q251-R320 WeakPolarHBondContact O-CG 3.46Å; R320-N322 VanDerWaalsContact C-N 3.35Å
321G86.9Confident89.1Confident7 Ų764.5 Ų64.57%0.07232%0.316CS..THydrogen-bonded Turntrans87.6-4.3-176.400000114.9L250 R319 T363L250-G321 PolarHBondContact O-N 3.44Å; L250-G321 VanDerWaalsContact O-N 3.1Å; R319-G321 PolarHBondContact O-N 3.16Å; G321-T363 VanDerWaalsContact CA-OG1 3.29Å; G321-T363 WeakPolarHBondContact CA-OG1 3.39Å; G321-T363 PolarHBondContact N-OG1 2.91Å
322N93.1Very high89.5Confident3 Ų361.1 Ų61.12%0.01630%0.302CS..  trans-77.6155.2165.1-62.4165.2000110L250 A279 P280 V318 R319 R320L250-N322 WeakPolarHBondContact CB-O 3.4Å; L250-N322 HydrophobicContact CD1-CB 4.12Å; L250-N322 WeakPolarHBondContact CG-O 3.36Å; L250-N322 PolarHBondContact N-O 3.13Å; A279-N322 CarbonylContact O-C 3.48Å; A279-N322 WeakPolarHBondContact O-CA 3.3Å; A279-N322 VanDerWaalsContact O-CB 3.26Å; A279-N322 WeakPolarHBondContact O-CB 3.38Å; P280-N322 WeakPolarHBondContact CD-ND2 3.41Å; V318-N322 WeakPolarHBondContact CA-OD1 3.4Å; R319-N322 PolarHBondContact N-OD1 2.96Å; R319-N322 VanDerWaalsContact O-CB 3.3Å; R319-N322 WeakPolarHBondContact O-CB 3.19Å; R319-N322 VanDerWaalsContact O-CG 3.27Å; R319-N322 PolarHBondContact O-N 3.47Å; R319-N322 PolarHBondContact O-OD1 3.11Å; R320-N322 VanDerWaalsContact C-N 3.35Å
323V91.6Very high89.9Confident0 Ų059.9 Ų59.90%029%0.292CS..EExtended strand (participates in β ladder)trans-118.5123.9179.8177.30000108P249 F278 A279 P332 C409 L419P249-V323 HydrophobicContact CB-CG2 4.32Å; F278-V323 CarbonylContact C-O 3.55Å; F278-V323 WeakPolarHBondContact CA-O 3.49Å; A279-V323 PolarHBondContact N-O 3.31Å; A279-V323 PolarHBondContact O-N 3.04Å; V323-P332 HydrophobicContact CB-CB 4.42Å; V323-P332 HydrophobicContact CG1-CB 4.02Å; V323-P332 HydrophobicContact CG1-CG 4.25Å; V323-C409 HydrophobicContact CB-CB 4.19Å; V323-C409 HydrophobicContact CG2-CB 3.89Å; V323-L419 HydrophobicContact CB-CD2 4.39Å; V323-L419 HydrophobicContact CG1-CD2 3.64Å; V323-L419 HydrophobicContact CG2-CD2 3.89Å
324A91.5Very high90.2Very high0 Ų064.3 Ų64.30%031%0.312CS..EExtended strand (participates in β ladder)trans-91145.116900000110.1L248 T277 F278 F308L248-A324 HydrophobicContact CB-CB 4.12Å; L248-A324 PolarHBondContact N-O 2.79Å; L248-A324 PolarHBondContact O-N 3.08Å; T277-A324 CarbonylContact O-C 3.49Å; T277-A324 WeakPolarHBondContact O-CA 3.41Å; F278-A324 HydrophobicContact CD1-CB 3.64Å; F278-A324 HydrophobicContact CE1-CB 3.52Å; F278-A324 HydrophobicContact CG-CB 4.47Å; F278-A324 HydrophobicContact CZ-CB 4.26Å; F308-A324 HydrophobicContact CZ-CB 4.23Å
325G90.9Very high90.5Very high0 Ų062.5 Ų62.50%030%0.301CS..EExtended strand (participates in β ladder)trans-153.4170.9171.400000111.2L246 V276 T277 S327L246-G325 WeakPolarHBondContact O-CA 3.14Å; V276-G325 CarbonylContact C-O 3.58Å; V276-G325 WeakPolarHBondContact CA-O 3.33Å; T277-G325 PolarHBondContact N-O 3.49Å; T277-G325 PolarHBondContact O-N 3.49Å; G325-S327 PolarHBondContact O-N 2.97Å
326D89.8Confident90.7Very high28 Ų2864.7 Ų64.715%0.1532%0.323CS..EExtended strand (participates in β ladder)trans-67.7126.2-179.8-173.7-12.7000110L246 M274 K328 N329 P331L246-D326 HydrophobicContact CB-CB 4.21Å; M274-D326 HydrophobicContact CE-CB 4.13Å; D326-K328 PolarHBondContact O-N 3.33Å; D326-K328 PolarHBondContact OD1-N 2.93Å; D326-N329 HydrophobicContact CB-CB 4.26Å; D326-N329 PolarHBondContact O-N 2.95Å; D326-P331 WeakPolarHBondContact O-CA 3.37Å
327S89.9Confident91Very high31 Ų3157.3 Ų57.322%0.21730%0.302CS..THydrogen-bonded Turntrans-65.4-23.8-179.6-45.30000112.5V275 V276 T277 T284 G325V275-S327 WeakPolarHBondContact O-CB 3.45Å; V275-S327 PolarHBondContact O-N 3.37Å; V275-S327 PolarHBondContact O-OG 3.3Å; V276-S327 VanDerWaalsContact C-OG 3.22Å; V276-S327 PolarHBondContact N-OG 3.46Å; T277-S327 PolarHBondContact N-OG 2.67Å; T277-S327 WeakPolarHBondContact OG1-CB 3.47Å; T277-S327 PolarHBondContact OG1-OG 3.2Å; T284-S327 VanDerWaalsContact CG2-OG 3.31Å; T284-S327 WeakPolarHBondContact CG2-OG 3.5Å; G325-S327 PolarHBondContact O-N 2.97Å
328K89.1Confident91.3Very high176 Ų17655.8 Ų55.877%0.76529%0.292SS*.THydrogen-bonded Turntrans-97-14.4-174.8-63.7179.6-178.91740113.3D326D326-K328 PolarHBondContact O-N 3.33Å; D326-K328 PolarHBondContact OD1-N 2.93Å
329N86.5Confident91.4Very high81 Ų8159.6 Ų59.643%0.43332%0.316SS..SBendtrans-134.296-175-173.117.8000109.4P245 D326P245-N329 WeakPolarHBondContact CB-O 3.19Å; D326-N329 HydrophobicContact CB-CB 4.26Å; D326-N329 PolarHBondContact O-N 2.95Å
330D88.9Confident91.5Very high80 Ų8055 Ų5543%0.42830%0.303SS..SBendtrans46.868.9179.8-174.946.7000113P245 R247 Y416P245-D330 HydrophobicContact CB-CB 3.98Å; P245-D330 HydrophobicContact CG-CB 3.89Å; R247-D330 IonicContact CZ-OD2 3.33Å; R247-D330 PolarHBondContact NH1-O 2.82Å; R247-D330 IonicContact NH1-OD2 3.31Å; R247-D330 PolarHBondContact NH2-O 2.96Å; R247-D330 IonicContact NH2-OD2 2.93Å; R247-D330 PolarHBondContact NH2-OD2 3.11Å; D330-Y416 PolarHBondContact OD2-OH 3.03Å
331P91.4Very high91.6Very high50 Ų5052.8 Ų52.833%0.32530%0.3SS..  trans-63.9142.5-177.725.5-33.6000111.8D326D326-P331 WeakPolarHBondContact O-CA 3.37Å
332P93.6Very high91.7Very high4 Ų453.2 Ų53.23%0.02630%0.301CS..  trans-64.4148.2178.428.5-35.5000110.9A279 V323A279-P332 HydrophobicContact CB-CB 3.7Å; A279-P332 HydrophobicContact CB-CG 3.94Å; A279-P332 WeakPolarHBondContact CB-O 3.47Å; V323-P332 HydrophobicContact CB-CB 4.42Å; V323-P332 HydrophobicContact CG1-CB 4.02Å; V323-P332 HydrophobicContact CG1-CG 4.25Å
333M93.9Very high91.5Very high142 Ų14255.2 Ų55.270%0.731%0.311SS*.  trans-130.2162.4-175.9-64.8-17469.200112.7C409M333-C409 PolarHBondContact O-SG 2.81Å; M333-C409 VanDerWaalsContact O-SG 3.36Å
334E95.3Very high91.3Very high105 Ų10555.8 Ų55.849%0.49131%0.314SS..  trans-70.8134.5170.8-176.4176.6174.600111.1P280 P407P280-E334 HydrophobicContact CB-CB 3.66Å; P280-E334 HydrophobicContact CB-CG 3.76Å; E334-P407 HydrophobicContact CG-CB 4.38Å; E334-P407 WeakPolarHBondContact OE1-CA 3.19Å; E334-P407 WeakPolarHBondContact OE1-CB 3.11Å
335A94Very high90.8Very high16 Ų1658.1 Ų58.113%0.13233%0.327CS..  trans-91111.8173.100000110.5G337 F338 M408 V410A335-G337 VanDerWaalsContact C-N 3.27Å; A335-G337 PolarHBondContact O-N 3.08Å; A335-F338 HydrophobicContact CB-CD1 4.46Å; A335-M408 PolarHBondContact N-O 3.22Å; A335-V410 HydrophobicContact CB-CG2 3.57Å
336A92.9Very high90.1Very high91 Ų9162.8 Ų62.875%0.75235%0.351SS*.SBendtrans-67.2-31.1173.200000112.5
337G93.4Very high89.5Confident39 Ų3963.3 Ų63.340%0.40235%0.353SS..  trans-176.5159.7176.200000108.5A335 M402A335-G337 VanDerWaalsContact C-N 3.27Å; A335-G337 PolarHBondContact O-N 3.08Å; G337-M402 CarbonylContact C-O 3.57Å; G337-M402 WeakPolarHBondContact CA-O 3.3Å
338F95Very high88.8Confident40 Ų4068.3 Ų68.318%0.17539%0.385CS..EExtended strand (participates in β ladder)trans-148.5148.5-17957.1-90.5000110.9A335 A340 L359 M402 P404 V410A335-F338 HydrophobicContact CB-CD1 4.46Å; F338-A340 HydrophobicContact CD2-CB 4.07Å; F338-A340 HydrophobicContact CE2-CB 4.1Å; F338-L359 HydrophobicContact CE2-CD2 4.31Å; F338-L359 HydrophobicContact CZ-CD2 3.58Å; F338-M402 HydrophobicContact CD2-CB 4.17Å; F338-M402 HydrophobicContact CE1-CB 4.3Å; F338-M402 HydrophobicContact CE2-CB 3.71Å; F338-M402 HydrophobicContact CE2-CG 4.18Å; F338-M402 HydrophobicContact CE2-SD 3.82Å; F338-M402 HydrophobicContact CZ-CB 3.78Å; F338-M402 HydrophobicContact CZ-SD 4.26Å; F338-M402 PolarHBondContact N-O 2.84Å; F338-M402 PolarHBondContact O-N 2.91Å; F338-P404 HydrophobicContact CD1-CG 4.38Å; F338-P404 HydrophobicContact CE1-CG 3.91Å; F338-V410 HydrophobicContact CB-CG2 4.43Å; F338-V410 HydrophobicContact CD1-CG2 3.57Å; F338-V410 HydrophobicContact CE1-CG2 3.93Å; F338-V410 HydrophobicContact CG-CG2 4Å
339T94.1Very high88.7Confident81 Ų8161.5 Ų61.550%0.49737%0.365SS..EExtended strand (participates in β ladder)trans-92.3126.4172.6-55.60000108.7I399 V400 D401T339-I399 HydrophobicContact CG2-CG2 3.3Å; T339-V400 WeakPolarHBondContact CA-O 3.46Å; T339-D401 WeakPolarHBondContact CB-OD1 3.47Å; T339-D401 WeakPolarHBondContact CG2-OD1 3.24Å; T339-D401 PolarHBondContact OG1-OD1 3.46Å
340A92Very high88.9Confident25 Ų2563.5 Ų63.521%0.20737%0.371CS..EExtended strand (participates in β ladder)trans-127.7145.6-179.900000111.8F338 V342 V400 M402F338-A340 HydrophobicContact CD2-CB 4.07Å; F338-A340 HydrophobicContact CE2-CB 4.1Å; A340-V342 PolarHBondContact O-N 3.27Å; A340-V400 PolarHBondContact N-O 3.43Å; A340-V400 PolarHBondContact O-N 3.33Å; A340-M402 HydrophobicContact CB-SD 4.2Å
341Q89.4Confident89.1Confident110 Ų11060.1 Ų60.151%0.51435%0.353SS..EExtended strand (participates in β ladder)trans-80114.3164.2-179.9175.7-9.200108.9I377 A398 I399Q341-I377 HydrophobicContact CG-CD1 3.77Å; Q341-A398 CarbonylContact C-O 3.57Å; Q341-A398 WeakPolarHBondContact CA-O 3.32Å; Q341-I399 HydrophobicContact CB-CD1 3.86Å; Q341-I399 HydrophobicContact CG-CD1 4.18Å
342V89.8Confident89.2Confident16 Ų1660.3 Ų60.310%0.09736%0.355CS..EExtended strand (participates in β ladder)trans-104.4139.9177-57.60000110.3A340 I344 F370 L392 A397 A398 V400 M402A340-V342 PolarHBondContact O-N 3.27Å; V342-I344 HydrophobicContact CG2-CD1 4.06Å; V342-F370 HydrophobicContact CG1-CZ 4.42Å; V342-F370 HydrophobicContact CG2-CE2 4.49Å; V342-L392 HydrophobicContact CG2-CD1 4.23Å; V342-A397 CarbonylContact O-C 3.56Å; V342-A397 VanDerWaalsContact O-CA 3.27Å; V342-A397 WeakPolarHBondContact O-CA 3.5Å; V342-A398 HydrophobicContact CG2-CB 4.02Å; V342-A398 PolarHBondContact N-O 2.8Å; V342-A398 PolarHBondContact O-N 2.78Å; V342-V400 HydrophobicContact CG1-CB 4.32Å; V342-V400 HydrophobicContact CG1-CG2 4.41Å; V342-V400 HydrophobicContact CG2-CB 4.29Å; V342-V400 HydrophobicContact CG2-CG2 3.5Å; V342-M402 HydrophobicContact CG1-SD 4.32Å
343I87.5Confident89.2Confident44 Ų4463 Ų6323%0.22638%0.378CS..EExtended strand (participates in β ladder)trans-115.2116.7170.7-59.1176.2000106.6T142 L345 A397T142-I343 HydrophobicContact CG2-CD1 4.32Å; I343-L345 PolarHBondContact O-N 3.45Å; I343-A397 HydrophobicContact CG1-CB 4.17Å
344I87.5Confident89.1Confident13 Ų1358.1 Ų58.17%0.06736%0.364CS..  trans-77.9111.5-179.1-51.9-47.8000108.2V342 H347 I351 L392 K393 G395 D396V342-I344 HydrophobicContact CG2-CD1 4.06Å; I344-H347 HydrophobicContact CG2-CB 4.19Å; I344-I351 HydrophobicContact CD1-CD1 3.75Å; I344-I351 HydrophobicContact CG1-CD1 4.33Å; I344-I351 HydrophobicContact CG2-CD1 3.9Å; I344-L392 HydrophobicContact CD1-CB 4.48Å; I344-L392 HydrophobicContact CD1-CD1 4.12Å; I344-L392 HydrophobicContact CG1-CB 3.87Å; I344-L392 HydrophobicContact CG1-CD1 4.17Å; I344-K393 WeakPolarHBondContact CB-O 3.44Å; I344-G395 PolarHBondContact O-N 2.95Å; I344-D396 PolarHBondContact N-O 3.16Å
345L82.4Confident88.9Confident49 Ų4956.1 Ų56.126%0.25735%0.353SS..  trans-76.1-168.9173-59.5-179000110.4L138 L139 I343 H347 S394 L423L138-L345 HydrophobicContact CD2-CD2 3.65Å; L138-L345 HydrophobicContact CG-CD2 4.47Å; L139-L345 HydrophobicContact CD2-CD1 3.75Å; L139-L345 HydrophobicContact CG-CD1 4.48Å; I343-L345 PolarHBondContact O-N 3.45Å; L345-H347 VanDerWaalsContact C-N 3.34Å; L345-H347 PolarHBondContact O-N 3.43Å; L345-S394 PolarHBondContact O-OG 2.89Å; L345-L423 HydrophobicContact CD1-CD1 4.41Å
346N75.4Confident88.9Confident97 Ų9758.1 Ų58.152%0.51937%0.369SS..SBendtrans-67.387.3-172.8-162.418.7000111.9
347H78.4Confident88.8Confident39 Ų3954 Ų5418%0.18134%0.335CS..  trans-107.6131.7-179.8-174.9-93.6000110.3I344 L345 G349 S394I344-H347 HydrophobicContact CG2-CB 4.19Å; L345-H347 VanDerWaalsContact C-N 3.34Å; L345-H347 PolarHBondContact O-N 3.43Å; H347-G349 VanDerWaalsContact C-N 3.29Å; H347-G349 VanDerWaalsContact ND1-C 3.25Å; H347-G349 WeakPolarHBondContact ND1-CA 3.47Å; H347-G349 PolarHBondContact ND1-N 2.96Å; H347-G349 VanDerWaalsContact ND1-N 3.11Å; H347-G349 PolarHBondContact ND1-O 3.06Å; H347-G349 PolarHBondContact O-N 3.46Å; H347-S394 PolarHBondContact N-OG 3.08Å; H347-S394 PolarHBondContact O-OG 2.78Å
348P74.3Confident88.6Confident137 Ų13754.4 Ų54.489%0.8933%0.329SS*.SBendtrans-73.6-19.3-174.729-35000113.6
349G86.3Confident88.3Confident33 Ų3352.6 Ų52.634%0.3432%0.321SS..SBendtrans-115.2-167.9-177.900000114.2H347H347-G349 VanDerWaalsContact C-N 3.29Å; H347-G349 VanDerWaalsContact ND1-C 3.25Å; H347-G349 WeakPolarHBondContact ND1-CA 3.47Å; H347-G349 PolarHBondContact ND1-N 2.96Å; H347-G349 VanDerWaalsContact ND1-N 3.11Å; H347-G349 PolarHBondContact ND1-O 3.06Å; H347-G349 PolarHBondContact O-N 3.46Å
350Q91.1Very high87.9Confident122 Ų12249.8 Ų49.857%0.5730%0.304SS*.  trans-103.1144173.2-65.6177-1.500110F391 L392Q350-F391 HydrophobicContact CB-CB 4.16Å; Q350-F391 HydrophobicContact CB-CD2 4.09Å; Q350-F391 HydrophobicContact CB-CG 4.32Å; Q350-F391 HydrophobicContact CG-CD2 3.8Å; Q350-F391 HydrophobicContact CG-CE2 4.22Å; Q350-F391 HydrophobicContact CG-CG 4.39Å; Q350-L392 WeakPolarHBondContact CA-O 3.32Å
351I92.6Very high87.6Confident9 Ų948.7 Ų48.75%0.04629%0.294CS..BIsolated β-bridgetrans-105.3121.7176.9-65.6166.9000108.3I344 Y355 F370 F391 L392I344-I351 HydrophobicContact CD1-CD1 3.75Å; I344-I351 HydrophobicContact CG1-CD1 4.33Å; I344-I351 HydrophobicContact CG2-CD1 3.9Å; I351-Y355 HydrophobicContact CB-CD1 4.4Å; I351-Y355 HydrophobicContact CD1-CD1 4.46Å; I351-Y355 HydrophobicContact CD1-CE1 4.26Å; I351-Y355 HydrophobicContact CG1-CD1 4.11Å; I351-Y355 HydrophobicContact CG1-CE1 4.15Å; I351-Y355 HydrophobicContact CG2-CD1 3.55Å; I351-Y355 HydrophobicContact CG2-CE1 4.37Å; I351-Y355 HydrophobicContact CG2-CG 4Å; I351-F370 HydrophobicContact CG2-CD2 3.93Å; I351-F370 HydrophobicContact CG2-CE2 4.07Å; I351-F391 CarbonylContact O-C 3.51Å; I351-F391 WeakPolarHBondContact O-CA 3.41Å; I351-L392 HydrophobicContact CB-CB 4.38Å; I351-L392 PolarHBondContact N-O 2.9Å; I351-L392 PolarHBondContact O-N 3.48Å
352S93.4Very high87.2Confident54 Ų5445.2 Ų45.238%0.37828%0.278SS..  trans-115165178.1-56.30000110.9G354 Y355S352-G354 PolarHBondContact O-N 3.4Å; S352-Y355 VanDerWaalsContact O-CB 3.25Å; S352-Y355 WeakPolarHBondContact O-CB 3.41Å; S352-Y355 PolarHBondContact O-N 3.41Å; S352-Y355 VanDerWaalsContact O-N 3.11Å
353A93.9Very high86.9Confident60 Ų6045.2 Ų45.250%0.49628%0.278SS..THydrogen-bonded Turntrans-53.8136.6170.500000110.6L373A353-L373 HydrophobicContact CB-CG 4.48Å
354G91.8Very high86.9Confident40 Ų4043.3 Ų43.341%0.41227%0.269SS..THydrogen-bonded Turntrans95.5-10.7-172.800000115S352 A356 F370S352-G354 PolarHBondContact O-N 3.4Å; G354-A356 PolarHBondContact O-N 2.92Å; G354-F370 PolarHBondContact N-O 2.8Å
355Y92.5Very high86.9Confident63 Ų6347.7 Ų47.725%0.24729%0.289CS..  trans-59132.4172.1-176.5-123.9000110.8I351 S352 P357 F370 S426I351-Y355 HydrophobicContact CB-CD1 4.4Å; I351-Y355 HydrophobicContact CD1-CD1 4.46Å; I351-Y355 HydrophobicContact CD1-CE1 4.26Å; I351-Y355 HydrophobicContact CG1-CD1 4.11Å; I351-Y355 HydrophobicContact CG1-CE1 4.15Å; I351-Y355 HydrophobicContact CG2-CD1 3.55Å; I351-Y355 HydrophobicContact CG2-CE1 4.37Å; I351-Y355 HydrophobicContact CG2-CG 4Å; S352-Y355 VanDerWaalsContact O-CB 3.25Å; S352-Y355 WeakPolarHBondContact O-CB 3.41Å; S352-Y355 PolarHBondContact O-N 3.41Å; S352-Y355 VanDerWaalsContact O-N 3.11Å; Y355-P357 VanDerWaalsContact C-CD 3.5Å; Y355-P357 HydrophobicContact CD1-CB 4.33Å; Y355-P357 VanDerWaalsContact CD1-CD 3.44Å; Y355-P357 HydrophobicContact CD1-CG 3.81Å; Y355-P357 HydrophobicContact CE1-CB 3.6Å; Y355-P357 HydrophobicContact CE1-CG 3.52Å; Y355-P357 WeakPolarHBondContact O-CD 3.43Å; Y355-F370 HydrophobicContact CD1-CD1 4.46Å; Y355-F370 HydrophobicContact CD1-CE1 4.49Å; Y355-F370 WeakPolarHBondContact O-CB 3.21Å; Y355-F370 PolarHBondContact O-N 3.25Å; Y355-S426 WeakPolarHBondContact OH-CA 3.33Å; Y355-S426 WeakPolarHBondContact OH-CB 3.47Å
356A92.4Very high87.3Confident59 Ų5946.3 Ų46.349%0.48828%0.282SS..  trans-127.669.3-173.500000111.8G354 C368 K369G354-A356 PolarHBondContact O-N 2.92Å; A356-C368 WeakPolarHBondContact CA-O 3.41Å; A356-K369 HydrophobicContact CB-CB 4.43Å
357P91.2Very high88.2Confident4 Ų444 Ų443%0.02628%0.276CS..PPolyproline II helixtrans-71.1167.2176.731.2-34.7000111.2Y355 A367 C368 F370 C424 C425Y355-P357 VanDerWaalsContact C-CD 3.5Å; Y355-P357 HydrophobicContact CD1-CB 4.33Å; Y355-P357 VanDerWaalsContact CD1-CD 3.44Å; Y355-P357 HydrophobicContact CD1-CG 3.81Å; Y355-P357 HydrophobicContact CE1-CB 3.6Å; Y355-P357 HydrophobicContact CE1-CG 3.52Å; Y355-P357 WeakPolarHBondContact O-CD 3.43Å; P357-A367 WeakPolarHBondContact O-CA 3.39Å; P357-C368 VanDerWaalsContact CD-O 3.3Å; P357-C368 WeakPolarHBondContact CD-O 3.26Å; P357-C368 PolarHBondContact O-N 3.08Å; P357-F370 HydrophobicContact CG-CD1 3.97Å; P357-F370 HydrophobicContact CG-CE1 3.39Å; P357-F370 HydrophobicContact CG-CZ 4.17Å; P357-C424 HydrophobicContact CB-CB 4.18Å; P357-C424 HydrophobicContact CG-CB 3.99Å; P357-C425 WeakPolarHBondContact CB-O 3.4Å
358V90.2Very high88.9Confident47 Ų4742.1 Ų42.129%0.28527%0.267SS..EExtended strand (participates in β ladder)trans-83.3126.2170.4-1710000109.8H365 C425V358-H365 WeakPolarHBondContact CG1-CE1 3.41Å; V358-H365 WeakPolarHBondContact CG1-ND1 3.44Å; V358-H365 WeakPolarHBondContact CG1-NE2 3.25Å; V358-C425 PolarHBondContact N-O 3.23Å; V358-C425 VanDerWaalsContact N-O 3.14Å; V358-C425 PolarHBondContact O-N 3.26Å
359L89.1Confident90Very high2 Ų241 Ų411%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-96.7118.5177.5-164.971.2000109.7F338 H365 I366 C368 M402 M408 S422 L423 C424F338-L359 HydrophobicContact CE2-CD2 4.31Å; F338-L359 HydrophobicContact CZ-CD2 3.58Å; L359-H365 WeakPolarHBondContact O-CA 3.09Å; L359-I366 WeakPolarHBondContact CA-O 3.35Å; L359-I366 VanDerWaalsContact CB-O 3.3Å; L359-I366 WeakPolarHBondContact CB-O 3.42Å; L359-I366 PolarHBondContact N-O 3.34Å; L359-I366 PolarHBondContact O-N 2.95Å; L359-C368 HydrophobicContact CB-CB 4.11Å; L359-C368 HydrophobicContact CD2-CB 4.29Å; L359-M402 HydrophobicContact CD1-CE 4.08Å; L359-M402 HydrophobicContact CD2-CE 4.24Å; L359-M408 HydrophobicContact CD2-CE 4.07Å; L359-M408 HydrophobicContact CD2-SD 4.42Å; L359-S422 VanDerWaalsContact CD1-CB 3.45Å; L359-L423 WeakPolarHBondContact CA-O 3.13Å; L359-C424 WeakPolarHBondContact CD1-SG 3.35Å
360D84.7Confident90.4Very high23 Ų2339.6 Ų39.612%0.12323%0.233CC..EExtended strand (participates in β ladder)trans-92.5111.3165.7-75.8-66.1000108.1K100 A364 H365 S422 L423 C425K100-D360 VanDerWaalsContact CE-OD1 3.24Å; K100-D360 WeakPolarHBondContact CE-OD1 3.41Å; K100-D360 WeakPolarHBondContact CE-OD2 3.48Å; K100-D360 IonicContact NZ-OD1 3.95Å; K100-D360 PolarHBondContact NZ-OD1 3.11Å; K100-D360 IonicContact NZ-OD2 3.65Å; K100-D360 PolarHBondContact NZ-OD2 3.23Å; D360-A364 WeakPolarHBondContact CA-O 3.42Å; D360-H365 VanDerWaalsContact CG-ND1 3.34Å; D360-H365 IonicContact OD1-CE1 3.51Å; D360-H365 IonicContact OD1-CG 3.13Å; D360-H365 IonicContact OD1-ND1 3.88Å; D360-H365 PolarHBondContact OD1-ND1 3.24Å; D360-H365 IonicContact OD2-CE1 2.91Å; D360-H365 IonicContact OD2-ND1 3.39Å; D360-H365 PolarHBondContact OD2-ND1 3.46Å; D360-S422 CarbonylContact O-C 3.59Å; D360-S422 VanDerWaalsContact O-CA 3.26Å; D360-S422 WeakPolarHBondContact O-CA 2.99Å; D360-L423 PolarHBondContact N-O 3.39Å; D360-L423 PolarHBondContact O-N 2.89Å; D360-C425 PolarHBondContact OD2-SG 3.4Å; D360-C425 VanDerWaalsContact OD2-SG 3.37Å
361C85.1Confident90.5Very high1 Ų136 Ų361%0.00722%0.224CC..EExtended strand (participates in β ladder)trans-131.2127.7176.4-173.90000107.8T363 A364 M408 V410 L419 K421 S422C361-T363 PolarHBondContact O-N 3.16Å; C361-T363 VanDerWaalsContact O-N 3.09Å; C361-A364 PolarHBondContact N-O 3.42Å; C361-A364 WeakPolarHBondContact O-CA 3.01Å; C361-A364 WeakPolarHBondContact O-CB 3.17Å; C361-A364 PolarHBondContact O-N 3.38Å; C361-M408 HydrophobicContact CB-CE 3.4Å; C361-V410 HydrophobicContact CB-CG1 4.37Å; C361-L419 PolarHBondContact SG-O 2.85Å; C361-K421 PolarHBondContact SG-O 3.48Å; C361-S422 VanDerWaalsContact CB-OG 3.24Å; C361-S422 WeakPolarHBondContact CB-OG 3.28Å; C361-S422 PolarHBondContact SG-OG 3.45Å
362H82Confident90.7Very high37 Ų3740.6 Ų40.617%0.17125%0.245CC..THydrogen-bonded Turntrans46.2-113.2-172.155.781.7000112.3P249 A364 C409P249-H362 HydrophobicContact CB-CB 4.05Å; P249-H362 HydrophobicContact CG-CB 4.34Å; H362-A364 WeakPolarHBondContact CE1-CB 2.99Å; H362-A364 PolarHBondContact ND1-N 3.06Å; H362-C409 PolarHBondContact NE2-O 3.47Å
363T83.1Confident90.8Very high16 Ų1638.3 Ų38.310%0.09823%0.229CC..THydrogen-bonded Turntrans-102.2-4.2173.8620000113.3P249 L250 Q251 G321 C361P249-T363 HydrophobicContact CB-CG2 4.32Å; L250-T363 WeakPolarHBondContact O-CB 2.94Å; L250-T363 PolarHBondContact O-OG1 3.33Å; Q251-T363 HydrophobicContact CG-CG2 3.88Å; G321-T363 VanDerWaalsContact CA-OG1 3.29Å; G321-T363 WeakPolarHBondContact CA-OG1 3.39Å; G321-T363 PolarHBondContact N-OG1 2.91Å; C361-T363 PolarHBondContact O-N 3.16Å; C361-T363 VanDerWaalsContact O-N 3.09Å
364A87.4Confident90.8Very high4 Ų438.9 Ų38.93%0.03322%0.22CC..EExtended strand (participates in β ladder)trans-80.5143.317700000112.7D360 C361 H362 M408D360-A364 WeakPolarHBondContact CA-O 3.42Å; C361-A364 PolarHBondContact N-O 3.42Å; C361-A364 WeakPolarHBondContact O-CA 3.01Å; C361-A364 WeakPolarHBondContact O-CB 3.17Å; C361-A364 PolarHBondContact O-N 3.38Å; H362-A364 WeakPolarHBondContact CE1-CB 2.99Å; H362-A364 PolarHBondContact ND1-N 3.06Å; A364-M408 HydrophobicContact CB-CE 4.12Å
365H88.3Confident90.9Very high106 Ų10639.8 Ų39.849%0.49121%0.214SC..EExtended strand (participates in β ladder)trans-135.593.1179.2-176.872.4000108.8K100 V358 L359 D360K100-H365 PolarHBondContact NZ-CE1 2.94Å; K100-H365 VanDerWaalsContact NZ-CE1 3.3Å; K100-H365 PolarHBondContact NZ-ND1 2.87Å; K100-H365 VanDerWaalsContact NZ-ND1 3.2Å; V358-H365 WeakPolarHBondContact CG1-CE1 3.41Å; V358-H365 WeakPolarHBondContact CG1-ND1 3.44Å; V358-H365 WeakPolarHBondContact CG1-NE2 3.25Å; L359-H365 WeakPolarHBondContact O-CA 3.09Å; D360-H365 VanDerWaalsContact CG-ND1 3.34Å; D360-H365 IonicContact OD1-CE1 3.51Å; D360-H365 IonicContact OD1-CG 3.13Å; D360-H365 IonicContact OD1-ND1 3.88Å; D360-H365 PolarHBondContact OD1-ND1 3.24Å; D360-H365 IonicContact OD2-CE1 2.91Å; D360-H365 IonicContact OD2-ND1 3.39Å; D360-H365 PolarHBondContact OD2-ND1 3.46Å
366I90.6Very high90.9Very high20 Ų2038.4 Ų38.410%0.10321%0.209CC..EExtended strand (participates in β ladder)trans-137.6132.2-168.3-64.4177.1000110.6L359 C368 P404 K406 P407 M408L359-I366 WeakPolarHBondContact CA-O 3.35Å; L359-I366 VanDerWaalsContact CB-O 3.3Å; L359-I366 WeakPolarHBondContact CB-O 3.42Å; L359-I366 PolarHBondContact N-O 3.34Å; L359-I366 PolarHBondContact O-N 2.95Å; I366-C368 PolarHBondContact O-N 2.83Å; I366-C368 PolarHBondContact O-SG 2.97Å; I366-P404 HydrophobicContact CG2-CB 4.39Å; I366-K406 HydrophobicContact CG2-CB 4.01Å; I366-P407 WeakPolarHBondContact CD1-O 3.05Å; I366-M408 HydrophobicContact CB-SD 4.32Å; I366-M408 HydrophobicContact CD1-CB 3.71Å; I366-M408 HydrophobicContact CD1-CG 3.84Å; I366-M408 HydrophobicContact CD1-SD 4.38Å
367A93.5Very high90.7Very high48 Ų4836 Ų3640%0.39719%0.188SC..EExtended strand (participates in β ladder)trans-62.9126.3171.900000110.8P357 G405P357-A367 WeakPolarHBondContact O-CA 3.39Å; A367-G405 PolarHBondContact O-N 2.84Å
368C94.6Very high90.2Very high0 Ų038.5 Ų38.50%020%0.201CC..EExtended strand (participates in β ladder)trans-124.1127.9-179.2-66.80000109.9A356 P357 L359 I366 M402 V403A356-C368 WeakPolarHBondContact CA-O 3.41Å; P357-C368 VanDerWaalsContact CD-O 3.3Å; P357-C368 WeakPolarHBondContact CD-O 3.26Å; P357-C368 PolarHBondContact O-N 3.08Å; L359-C368 HydrophobicContact CB-CB 4.11Å; L359-C368 HydrophobicContact CD2-CB 4.29Å; I366-C368 PolarHBondContact O-N 2.83Å; I366-C368 PolarHBondContact O-SG 2.97Å; C368-M402 HydrophobicContact CB-CE 3.67Å; C368-V403 CarbonylContact C-O 3.54Å; C368-V403 WeakPolarHBondContact CA-O 3.18Å
369K95.6Very high89.5Confident113 Ų11342.1 Ų42.149%0.49121%0.21SC..EExtended strand (participates in β ladder)trans-83.5129.6178.5-174-179.8179.5-176.60110.1A356 A371 M402 V403A356-K369 HydrophobicContact CB-CB 4.43Å; K369-A371 PolarHBondContact O-N 2.86Å; K369-M402 CarbonylContact O-C 3.57Å; K369-M402 VanDerWaalsContact O-CA 3.29Å; K369-M402 WeakPolarHBondContact O-CA 3.47Å; K369-V403 PolarHBondContact N-O 2.76Å; K369-V403 PolarHBondContact O-N 2.83Å
370F95Very high88.6Confident3 Ų348.2 Ų48.21%0.01323%0.232CC..EExtended strand (participates in β ladder)trans-73.691.3168.1-75.442000106.7V342 I351 G354 Y355 P357 L373 V400 D401 M402V342-F370 HydrophobicContact CG1-CZ 4.42Å; V342-F370 HydrophobicContact CG2-CE2 4.49Å; I351-F370 HydrophobicContact CG2-CD2 3.93Å; I351-F370 HydrophobicContact CG2-CE2 4.07Å; G354-F370 PolarHBondContact N-O 2.8Å; Y355-F370 HydrophobicContact CD1-CD1 4.46Å; Y355-F370 HydrophobicContact CD1-CE1 4.49Å; Y355-F370 WeakPolarHBondContact O-CB 3.21Å; Y355-F370 PolarHBondContact O-N 3.25Å; P357-F370 HydrophobicContact CG-CD1 3.97Å; P357-F370 HydrophobicContact CG-CE1 3.39Å; P357-F370 HydrophobicContact CG-CZ 4.17Å; F370-L373 HydrophobicContact CD2-CD2 4Å; F370-V400 HydrophobicContact CB-CG1 4Å; F370-V400 HydrophobicContact CD2-CG1 3.6Å; F370-V400 HydrophobicContact CD2-CG2 4.33Å; F370-V400 HydrophobicContact CE2-CG1 4.17Å; F370-V400 HydrophobicContact CE2-CG2 4.43Å; F370-V400 HydrophobicContact CG-CG1 3.84Å; F370-D401 CarbonylContact C-O 3.41Å; F370-M402 HydrophobicContact CD1-CE 3.89Å; F370-M402 HydrophobicContact CE1-CE 3.44Å; F370-M402 VanDerWaalsContact CE1-CE 3.44Å; F370-M402 HydrophobicContact CE1-SD 4.24Å; F370-M402 HydrophobicContact CZ-CE 4.23Å
371A94.4Very high87.9Confident48 Ų4850.4 Ų50.440%0.39725%0.25SC..EExtended strand (participates in β ladder)trans-69.5-46.9-174.300000111K369 D401 V403K369-A371 PolarHBondContact O-N 2.86Å; A371-D401 PolarHBondContact N-O 2.83Å; A371-V403 HydrophobicContact CB-CG2 3.92Å
372E95.4Very high87.4Confident104 Ų10452.5 Ų52.549%0.48627%0.271SS..EExtended strand (participates in β ladder)trans-143.3133.5-178.6-171.3176-177.200110.7K374 V400 D401E372-K374 HydrophobicContact CG-CG 4.24Å; E372-K374 PolarHBondContact O-N 3.43Å; E372-V400 WeakPolarHBondContact O-CA 3.47Å; E372-V400 WeakPolarHBondContact O-CG1 2.92Å; E372-D401 HydrophobicContact CB-CB 4.24Å; E372-D401 PolarHBondContact N-O 2.89Å; E372-D401 PolarHBondContact O-N 3.27Å
373L95.6Very high87.3Confident7 Ų757.9 Ų57.94%0.03729%0.294CS..EExtended strand (participates in β ladder)trans-90.794.9169.6-52.8179.3000107.1A353 F370 G388 P389 L392 V400A353-L373 HydrophobicContact CB-CG 4.48Å; F370-L373 HydrophobicContact CD2-CD2 4Å; L373-G388 WeakPolarHBondContact O-CA 3.35Å; L373-P389 HydrophobicContact CB-CG 4.05Å; L373-P389 WeakPolarHBondContact CD1-O 3.45Å; L373-P389 WeakPolarHBondContact O-CD 3.34Å; L373-L392 HydrophobicContact CD1-CG 4.12Å; L373-L392 HydrophobicContact CD2-CD1 3.94Å; L373-L392 HydrophobicContact CD2-CG 4.41Å; L373-V400 HydrophobicContact CD2-CG1 4.08Å; L373-V400 HydrophobicContact CD2-CG2 3.66Å
374K93.4Very high87.5Confident71 Ų7161.7 Ų61.731%0.30931%0.309SS..EExtended strand (participates in β ladder)trans-72-54.1-172.4-78.7-176.2158.8155.20112.2E372 G388 I399 D401E372-K374 HydrophobicContact CG-CG 4.24Å; E372-K374 PolarHBondContact O-N 3.43Å; K374-G388 PolarHBondContact O-N 2.76Å; K374-I399 HydrophobicContact CB-CB 4.49Å; K374-I399 HydrophobicContact CB-CG2 4.38Å; K374-I399 WeakPolarHBondContact CB-O 3.5Å; K374-I399 PolarHBondContact N-O 3.38Å; K374-D401 WeakPolarHBondContact CD-OD1 3.29Å; K374-D401 VanDerWaalsContact CE-CG 3.48Å; K374-D401 WeakPolarHBondContact CE-OD1 3.21Å; K374-D401 WeakPolarHBondContact CE-OD2 3.49Å; K374-D401 IonicContact NZ-OD1 2.67Å; K374-D401 PolarHBondContact NZ-OD1 2.83Å; K374-D401 IonicContact NZ-OD2 3.46Å; K374-D401 PolarHBondContact NZ-OD2 3.4Å
375E94.1Very high87.6Confident59 Ų5966.8 Ų66.828%0.27634%0.336SS..EExtended strand (participates in β ladder)trans-145143.2-172.2-57.1-172.7164.700110.7I377 K384 E386 A398 I399E375-I377 HydrophobicContact CB-CG2 4.34Å; E375-K384 HydrophobicContact CB-CG 4.37Å; E375-K384 VanDerWaalsContact CD-CD 3.47Å; E375-K384 VanDerWaalsContact CD-CE 3.41Å; E375-K384 VanDerWaalsContact CD-NZ 3.34Å; E375-K384 HydrophobicContact CG-CD 4.16Å; E375-K384 WeakPolarHBondContact OE1-CD 3.31Å; E375-K384 VanDerWaalsContact OE1-CE 3.28Å; E375-K384 WeakPolarHBondContact OE1-CE 3.35Å; E375-K384 IonicContact OE1-NZ 2.79Å; E375-K384 PolarHBondContact OE1-NZ 2.76Å; E375-K384 WeakPolarHBondContact OE2-CD 3.36Å; E375-E386 CarbonylContact C-O 3.6Å; E375-E386 WeakPolarHBondContact CA-O 3.39Å; E375-A398 CarbonylContact O-C 3.54Å; E375-A398 WeakPolarHBondContact O-CA 3.33Å; E375-A398 WeakPolarHBondContact O-CB 3.35Å; E375-I399 HydrophobicContact CB-CB 4.29Å; E375-I399 HydrophobicContact CB-CG1 4.42Å; E375-I399 PolarHBondContact N-O 2.88Å; E375-I399 PolarHBondContact O-N 2.62Å
376K92.7Very high87.8Confident35 Ų3566.2 Ų66.215%0.15233%0.333CS..EExtended strand (participates in β ladder)trans-92.7134163.2-170.3172.2174.1156.40108.7L385 E386 P389 D396K376-L385 PolarHBondContact O-N 2.92Å; K376-E386 HydrophobicContact CB-CB 3.84Å; K376-E386 PolarHBondContact N-O 2.9Å; K376-E386 PolarHBondContact O-N 2.79Å; K376-P389 HydrophobicContact CB-CB 4.41Å; K376-P389 HydrophobicContact CB-CG 4.19Å; K376-D396 WeakPolarHBondContact CE-OD1 3.39Å; K376-D396 WeakPolarHBondContact CE-OD2 3.48Å; K376-D396 IonicContact NZ-OD1 3.19Å; K376-D396 PolarHBondContact NZ-OD1 3.06Å; K376-D396 IonicContact NZ-OD2 2.98Å; K376-D396 PolarHBondContact NZ-OD2 3.42Å
377I89.5Confident87.9Confident9 Ų970.6 Ų70.65%0.04636%0.357CS..EExtended strand (participates in β ladder)trans-128155.5-17664.5173.9000111.4Q341 E375 R379 K383 A397 I399Q341-I377 HydrophobicContact CG-CD1 3.77Å; E375-I377 HydrophobicContact CB-CG2 4.34Å; I377-R379 PolarHBondContact O-N 3.1Å; I377-K383 CarbonylContact C-O 3.56Å; I377-K383 WeakPolarHBondContact CA-O 3.2Å; I377-A397 HydrophobicContact CD1-CB 4.34Å; I377-A397 HydrophobicContact CG1-CB 3.73Å; I377-A397 PolarHBondContact N-O 3.26Å; I377-I399 HydrophobicContact CD1-CD1 3.92Å; I377-I399 HydrophobicContact CD1-CG1 4.35Å; I377-I399 HydrophobicContact CG2-CG1 4.1Å
378D79.9Confident87.8Confident55 Ų5570.2 Ų70.229%0.29436%0.358SS..  trans-72.7125167.2175.4-102.4000109.9R380 S381 G382 K383 L385D378-R380 PolarHBondContact O-N 2.7Å; D378-R380 PolarHBondContact OD1-N 3.05Å; D378-R380 VanDerWaalsContact OD1-N 3.17Å; D378-S381 WeakPolarHBondContact CB-OG 3.09Å; D378-S381 WeakPolarHBondContact OD1-CB 3.46Å; D378-S381 PolarHBondContact OD1-N 3.23Å; D378-S381 PolarHBondContact OD1-OG 3.22Å; D378-G382 VanDerWaalsContact O-CA 3.32Å; D378-G382 WeakPolarHBondContact O-CA 3.13Å; D378-G382 PolarHBondContact O-N 2.99Å; D378-K383 PolarHBondContact N-O 3.46Å; D378-L385 HydrophobicContact CB-CD1 4.27Å; D378-L385 HydrophobicContact CB-CD2 4.37Å; D378-L385 HydrophobicContact CB-CG 4.36Å
379R76.3Confident87.8Confident124 Ų12470.5 Ų70.547%0.46836%0.359SS..THydrogen-bonded Turntrans-58-23.9-174.169.9-176.4174.7-179.4-4.4115.5I377 A397I377-R379 PolarHBondContact O-N 3.1Å; R379-A397 HydrophobicContact CB-CB 3.99Å
380R68.4Low87.6Confident130 Ų13073.7 Ų73.749%0.49137%0.373SS..THydrogen-bonded Turntrans-100.6-48.7-176.1-69.4-167.9-167.3143.120.5112.4K180 D378K180-R380 PolarHBondContact O-NE 2.86Å; K180-R380 PolarHBondContact O-NH2 3.1Å; D378-R380 PolarHBondContact O-N 2.7Å; D378-R380 PolarHBondContact OD1-N 3.05Å; D378-R380 VanDerWaalsContact OD1-N 3.17Å
381S71.1Confident87.5Confident69 Ų6977.6 Ų77.648%0.48339%0.39SS..THydrogen-bonded Turntrans-87.3-14.2-174.361.60000112.6D378 K383D378-S381 WeakPolarHBondContact CB-OG 3.09Å; D378-S381 WeakPolarHBondContact OD1-CB 3.46Å; D378-S381 PolarHBondContact OD1-N 3.23Å; D378-S381 PolarHBondContact OD1-OG 3.22Å; S381-K383 PolarHBondContact O-N 3.36Å; S381-K383 VanDerWaalsContact O-N 3.16Å; S381-K383 PolarHBondContact OG-N 3.31Å
382G73.8Confident87.4Confident45 Ų4575.3 Ų75.346%0.46437%0.371SS..  trans66.37.6-173.100000113.1D378 K384D378-G382 VanDerWaalsContact O-CA 3.32Å; D378-G382 WeakPolarHBondContact O-CA 3.13Å; D378-G382 PolarHBondContact O-N 2.99Å; G382-K384 PolarHBondContact O-N 3.35Å
383K79.6Confident87.2Confident150 Ų15075.7 Ų75.765%0.65237%0.372SS*.  trans-70.4132-178.9-73.3-174.1176.2-173.40110.3I377 D378 S381 L385I377-K383 CarbonylContact C-O 3.56Å; I377-K383 WeakPolarHBondContact CA-O 3.2Å; D378-K383 PolarHBondContact N-O 3.46Å; S381-K383 PolarHBondContact O-N 3.36Å; S381-K383 VanDerWaalsContact O-N 3.16Å; S381-K383 PolarHBondContact OG-N 3.31Å; K383-L385 PolarHBondContact O-N 3.27Å
384K89.1Confident86.8Confident95 Ų9577.7 Ų77.741%0.41339%0.386SS..EExtended strand (participates in β ladder)trans-59.4130.3172.6-171.7175.7-177.5165.10110.7E375 G382 D387E375-K384 HydrophobicContact CB-CG 4.37Å; E375-K384 VanDerWaalsContact CD-CD 3.47Å; E375-K384 VanDerWaalsContact CD-CE 3.41Å; E375-K384 VanDerWaalsContact CD-NZ 3.34Å; E375-K384 HydrophobicContact CG-CD 4.16Å; E375-K384 WeakPolarHBondContact OE1-CD 3.31Å; E375-K384 VanDerWaalsContact OE1-CE 3.28Å; E375-K384 WeakPolarHBondContact OE1-CE 3.35Å; E375-K384 IonicContact OE1-NZ 2.79Å; E375-K384 PolarHBondContact OE1-NZ 2.76Å; E375-K384 WeakPolarHBondContact OE2-CD 3.36Å; G382-K384 PolarHBondContact O-N 3.35Å; K384-D387 WeakPolarHBondContact CE-OD2 3.39Å; K384-D387 IonicContact NZ-OD1 2.82Å; K384-D387 IonicContact NZ-OD2 2.92Å; K384-D387 PolarHBondContact NZ-OD2 3.38Å
385L88.9Confident86.3Confident112 Ų11276.4 Ų76.459%0.58639%0.393SS*.EExtended strand (participates in β ladder)trans-107.2-41.2177.7-63.1177.7000111.4K376 D378 K383K376-L385 PolarHBondContact O-N 2.92Å; D378-L385 HydrophobicContact CB-CD1 4.27Å; D378-L385 HydrophobicContact CB-CD2 4.37Å; D378-L385 HydrophobicContact CB-CG 4.36Å; K383-L385 PolarHBondContact O-N 3.27Å
386E91.9Very high86.1Confident93 Ų9374.5 Ų74.544%0.43539%0.385SS..EExtended strand (participates in β ladder)trans-147.8144-175.8-168.4-178.9167.200109.6E375 K376E375-E386 CarbonylContact C-O 3.6Å; E375-E386 WeakPolarHBondContact CA-O 3.39Å; K376-E386 HydrophobicContact CB-CB 3.84Å; K376-E386 PolarHBondContact N-O 2.9Å; K376-E386 PolarHBondContact O-N 2.79Å
387D93.4Very high85.9Confident112 Ų11273 Ų7360%0.59938%0.379SS*.EExtended strand (participates in β ladder)trans-100.5133.9174-155.4-24.1000109.5K384K384-D387 WeakPolarHBondContact CE-OD2 3.39Å; K384-D387 IonicContact NZ-OD1 2.82Å; K384-D387 IonicContact NZ-OD2 2.92Å; K384-D387 PolarHBondContact NZ-OD2 3.38Å
388G91.8Very high86.1Confident41 Ų4172.5 Ų72.542%0.42338%0.376SS..SBendtrans55.253.3179.600000115.2L373 K374 K390L373-G388 WeakPolarHBondContact O-CA 3.35Å; K374-G388 PolarHBondContact O-N 2.76Å; G388-K390 PolarHBondContact O-N 3.5Å
389P93.6Very high86.7Confident5 Ų571.7 Ų71.73%0.03237%0.371CS..  trans-60.3135.4-178.627.5-36.4000111.4L373 K376 F391 L392L373-P389 HydrophobicContact CB-CG 4.05Å; L373-P389 WeakPolarHBondContact CD1-O 3.45Å; L373-P389 WeakPolarHBondContact O-CD 3.34Å; K376-P389 HydrophobicContact CB-CB 4.41Å; K376-P389 HydrophobicContact CB-CG 4.19Å; P389-F391 VanDerWaalsContact C-N 3.3Å; P389-F391 PolarHBondContact O-N 3.28Å; P389-L392 HydrophobicContact CB-CD2 4.33Å; P389-L392 HydrophobicContact CG-CD2 3.98Å
390K92.3Very high87.6Confident180 Ų18065.8 Ų65.878%0.78335%0.349SS*.SBendtrans-65.5-33.4-179.9-69-174178.8-179.10113.3G388G388-K390 PolarHBondContact O-N 3.5Å
391F92.4Very high88.9Confident85 Ų8561.1 Ų61.137%0.37333%0.334SS..  trans-154156.9177.761-92.4000110.7Q350 I351 P389Q350-F391 HydrophobicContact CB-CB 4.16Å; Q350-F391 HydrophobicContact CB-CD2 4.09Å; Q350-F391 HydrophobicContact CB-CG 4.32Å; Q350-F391 HydrophobicContact CG-CD2 3.8Å; Q350-F391 HydrophobicContact CG-CE2 4.22Å; Q350-F391 HydrophobicContact CG-CG 4.39Å; I351-F391 CarbonylContact O-C 3.51Å; I351-F391 WeakPolarHBondContact O-CA 3.41Å; P389-F391 VanDerWaalsContact C-N 3.3Å; P389-F391 PolarHBondContact O-N 3.28Å
392L93.2Very high90Very high0 Ų058 Ų580%031%0.312CS..BIsolated β-bridgetrans-110.6149.2172.6-55.7175.2000110.2V342 I344 Q350 I351 L373 P389 A398 V400V342-L392 HydrophobicContact CG2-CD1 4.23Å; I344-L392 HydrophobicContact CD1-CB 4.48Å; I344-L392 HydrophobicContact CD1-CD1 4.12Å; I344-L392 HydrophobicContact CG1-CB 3.87Å; I344-L392 HydrophobicContact CG1-CD1 4.17Å; Q350-L392 WeakPolarHBondContact CA-O 3.32Å; I351-L392 HydrophobicContact CB-CB 4.38Å; I351-L392 PolarHBondContact N-O 2.9Å; I351-L392 PolarHBondContact O-N 3.48Å; L373-L392 HydrophobicContact CD1-CG 4.12Å; L373-L392 HydrophobicContact CD2-CD1 3.94Å; L373-L392 HydrophobicContact CD2-CG 4.41Å; P389-L392 HydrophobicContact CB-CD2 4.33Å; P389-L392 HydrophobicContact CG-CD2 3.98Å; L392-A398 HydrophobicContact CD1-CB 3.5Å; L392-A398 HydrophobicContact CD2-CB 3.64Å; L392-A398 HydrophobicContact CG-CB 4.23Å; L392-V400 HydrophobicContact CD1-CG2 4.24Å
393K91.2Very high91.1Very high113 Ų11358.9 Ų58.949%0.49131%0.308SS..  trans-130168.4175.760.7176.1179.1-171.70111.4I344 G395 D396I344-K393 WeakPolarHBondContact CB-O 3.44Å; K393-G395 PolarHBondContact O-N 2.81Å; K393-D396 VanDerWaalsContact CG-OD2 3.24Å; K393-D396 WeakPolarHBondContact CG-OD2 3.33Å; K393-D396 PolarHBondContact N-OD2 3.22Å; K393-D396 VanDerWaalsContact N-OD2 3.11Å; K393-D396 VanDerWaalsContact O-CB 3.25Å; K393-D396 WeakPolarHBondContact O-CB 3.46Å; K393-D396 PolarHBondContact O-N 2.96Å
394S87Confident91.8Very high48 Ų4852.6 Ų52.634%0.33628%0.282SS..THydrogen-bonded Turntrans-45.2124.9175.2-68.70000113.4L345 H347L345-S394 PolarHBondContact O-OG 2.89Å; H347-S394 PolarHBondContact N-OG 3.08Å; H347-S394 PolarHBondContact O-OG 2.78Å
395G82.4Confident92Very high45 Ų4551.1 Ų51.146%0.46429%0.294SS..THydrogen-bonded Turntrans90.9-8.4179.900000115.3I344 K393I344-G395 PolarHBondContact O-N 2.95Å; K393-G395 PolarHBondContact O-N 2.81Å
396D88.9Confident92.2Very high19 Ų1952.6 Ų52.610%0.10230%0.296CS..  trans-74.2146.9173.7-67.8-20000110.8I344 K376 K393I344-D396 PolarHBondContact N-O 3.16Å; K376-D396 WeakPolarHBondContact CE-OD1 3.39Å; K376-D396 WeakPolarHBondContact CE-OD2 3.48Å; K376-D396 IonicContact NZ-OD1 3.19Å; K376-D396 PolarHBondContact NZ-OD1 3.06Å; K376-D396 IonicContact NZ-OD2 2.98Å; K376-D396 PolarHBondContact NZ-OD2 3.42Å; K393-D396 VanDerWaalsContact CG-OD2 3.24Å; K393-D396 WeakPolarHBondContact CG-OD2 3.33Å; K393-D396 PolarHBondContact N-OD2 3.22Å; K393-D396 VanDerWaalsContact N-OD2 3.11Å; K393-D396 VanDerWaalsContact O-CB 3.25Å; K393-D396 WeakPolarHBondContact O-CB 3.46Å; K393-D396 PolarHBondContact O-N 2.96Å
397A88.3Confident92.3Very high2 Ų251 Ų512%0.01729%0.293CS..EExtended strand (participates in β ladder)trans-112.9143.5163.900000108.6V342 I343 I377 R379V342-A397 CarbonylContact O-C 3.56Å; V342-A397 VanDerWaalsContact O-CA 3.27Å; V342-A397 WeakPolarHBondContact O-CA 3.5Å; I343-A397 HydrophobicContact CG1-CB 4.17Å; I377-A397 HydrophobicContact CD1-CB 4.34Å; I377-A397 HydrophobicContact CG1-CB 3.73Å; I377-A397 PolarHBondContact N-O 3.26Å; R379-A397 HydrophobicContact CB-CB 3.99Å
398A93.6Very high92.4Very high0 Ų045.7 Ų45.70%027%0.265CS..EExtended strand (participates in β ladder)trans-148.2156.8-177.200000112.1Q341 V342 E375 L392 V400Q341-A398 CarbonylContact C-O 3.57Å; Q341-A398 WeakPolarHBondContact CA-O 3.32Å; V342-A398 HydrophobicContact CG2-CB 4.02Å; V342-A398 PolarHBondContact N-O 2.8Å; V342-A398 PolarHBondContact O-N 2.78Å; E375-A398 CarbonylContact O-C 3.54Å; E375-A398 WeakPolarHBondContact O-CA 3.33Å; E375-A398 WeakPolarHBondContact O-CB 3.35Å; L392-A398 HydrophobicContact CD1-CB 3.5Å; L392-A398 HydrophobicContact CD2-CB 3.64Å; L392-A398 HydrophobicContact CG-CB 4.23Å; A398-V400 HydrophobicContact CB-CG2 4.13Å
399I93.3Very high92.5Very high37 Ų3743.8 Ų43.819%0.1925%0.245CC..EExtended strand (participates in β ladder)trans-95.2122.8165.6-56.3-57.1000107.3T339 Q341 K374 E375 I377T339-I399 HydrophobicContact CG2-CG2 3.3Å; Q341-I399 HydrophobicContact CB-CD1 3.86Å; Q341-I399 HydrophobicContact CG-CD1 4.18Å; K374-I399 HydrophobicContact CB-CB 4.49Å; K374-I399 HydrophobicContact CB-CG2 4.38Å; K374-I399 WeakPolarHBondContact CB-O 3.5Å; K374-I399 PolarHBondContact N-O 3.38Å; E375-I399 HydrophobicContact CB-CB 4.29Å; E375-I399 HydrophobicContact CB-CG1 4.42Å; E375-I399 PolarHBondContact N-O 2.88Å; E375-I399 PolarHBondContact O-N 2.62Å; I377-I399 HydrophobicContact CD1-CD1 3.92Å; I377-I399 HydrophobicContact CD1-CG1 4.35Å; I377-I399 HydrophobicContact CG2-CG1 4.1Å
400V94.9Very high92.4Very high0 Ų044.4 Ų44.40%025%0.249CC..EExtended strand (participates in β ladder)trans-130.2133.7-173.8176.80000109.7T339 A340 V342 F370 E372 L373 L392 A398 M402T339-V400 WeakPolarHBondContact CA-O 3.46Å; A340-V400 PolarHBondContact N-O 3.43Å; A340-V400 PolarHBondContact O-N 3.33Å; V342-V400 HydrophobicContact CG1-CB 4.32Å; V342-V400 HydrophobicContact CG1-CG2 4.41Å; V342-V400 HydrophobicContact CG2-CB 4.29Å; V342-V400 HydrophobicContact CG2-CG2 3.5Å; F370-V400 HydrophobicContact CB-CG1 4Å; F370-V400 HydrophobicContact CD2-CG1 3.6Å; F370-V400 HydrophobicContact CD2-CG2 4.33Å; F370-V400 HydrophobicContact CE2-CG1 4.17Å; F370-V400 HydrophobicContact CE2-CG2 4.43Å; F370-V400 HydrophobicContact CG-CG1 3.84Å; E372-V400 WeakPolarHBondContact O-CA 3.47Å; E372-V400 WeakPolarHBondContact O-CG1 2.92Å; L373-V400 HydrophobicContact CD2-CG1 4.08Å; L373-V400 HydrophobicContact CD2-CG2 3.66Å; L392-V400 HydrophobicContact CD1-CG2 4.24Å; A398-V400 HydrophobicContact CB-CG2 4.13Å; V400-M402 HydrophobicContact CG1-CG 3.9Å
401D95.6Very high92.4Very high32 Ų3238 Ų3817%0.17122%0.222CC..EExtended strand (participates in β ladder)trans-84.2125.3167.5-74.9-3.9000109.3T339 F370 A371 E372 K374T339-D401 WeakPolarHBondContact CB-OD1 3.47Å; T339-D401 WeakPolarHBondContact CG2-OD1 3.24Å; T339-D401 PolarHBondContact OG1-OD1 3.46Å; F370-D401 CarbonylContact C-O 3.41Å; A371-D401 PolarHBondContact N-O 2.83Å; E372-D401 HydrophobicContact CB-CB 4.24Å; E372-D401 PolarHBondContact N-O 2.89Å; E372-D401 PolarHBondContact O-N 3.27Å; K374-D401 WeakPolarHBondContact CD-OD1 3.29Å; K374-D401 VanDerWaalsContact CE-CG 3.48Å; K374-D401 WeakPolarHBondContact CE-OD1 3.21Å; K374-D401 WeakPolarHBondContact CE-OD2 3.49Å; K374-D401 IonicContact NZ-OD1 2.67Å; K374-D401 PolarHBondContact NZ-OD1 2.83Å; K374-D401 IonicContact NZ-OD2 3.46Å; K374-D401 PolarHBondContact NZ-OD2 3.4Å
402M95.1Very high92.2Very high4 Ų436.7 Ų36.72%0.0222%0.224CC..EExtended strand (participates in β ladder)trans-118.3139.2-175.6-60.2-173.966.700110.5G337 F338 A340 V342 L359 C368 K369 F370 V400G337-M402 CarbonylContact C-O 3.57Å; G337-M402 WeakPolarHBondContact CA-O 3.3Å; F338-M402 HydrophobicContact CD2-CB 4.17Å; F338-M402 HydrophobicContact CE1-CB 4.3Å; F338-M402 HydrophobicContact CE2-CB 3.71Å; F338-M402 HydrophobicContact CE2-CG 4.18Å; F338-M402 HydrophobicContact CE2-SD 3.82Å; F338-M402 HydrophobicContact CZ-CB 3.78Å; F338-M402 HydrophobicContact CZ-SD 4.26Å; F338-M402 PolarHBondContact N-O 2.84Å; F338-M402 PolarHBondContact O-N 2.91Å; A340-M402 HydrophobicContact CB-SD 4.2Å; V342-M402 HydrophobicContact CG1-SD 4.32Å; L359-M402 HydrophobicContact CD1-CE 4.08Å; L359-M402 HydrophobicContact CD2-CE 4.24Å; C368-M402 HydrophobicContact CB-CE 3.67Å; K369-M402 CarbonylContact O-C 3.57Å; K369-M402 VanDerWaalsContact O-CA 3.29Å; K369-M402 WeakPolarHBondContact O-CA 3.47Å; F370-M402 HydrophobicContact CD1-CE 3.89Å; F370-M402 HydrophobicContact CE1-CE 3.44Å; F370-M402 VanDerWaalsContact CE1-CE 3.44Å; F370-M402 HydrophobicContact CE1-SD 4.24Å; F370-M402 HydrophobicContact CZ-CE 4.23Å; V400-M402 HydrophobicContact CG1-CG 3.9Å
403V96.1Very high91.7Very high64 Ų6441.3 Ų41.339%0.38824%0.244SC..EExtended strand (participates in β ladder)trans-122.2115.9177.7178.70000109C368 K369 A371C368-V403 CarbonylContact C-O 3.54Å; C368-V403 WeakPolarHBondContact CA-O 3.18Å; K369-V403 PolarHBondContact N-O 2.76Å; K369-V403 PolarHBondContact O-N 2.83Å; A371-V403 HydrophobicContact CB-CG2 3.92Å
404P95.2Very high91.1Very high17 Ų1739.7 Ų39.711%0.1125%0.246CC..EExtended strand (participates in β ladder)trans-60.1135.7173.9-23.634.1000112F338 I366 K406 M408F338-P404 HydrophobicContact CD1-CG 4.38Å; F338-P404 HydrophobicContact CE1-CG 3.91Å; I366-P404 HydrophobicContact CG2-CB 4.39Å; P404-K406 VanDerWaalsContact C-N 3.26Å; P404-K406 WeakPolarHBondContact CB-O 3.27Å; P404-K406 PolarHBondContact O-N 2.77Å; P404-M408 HydrophobicContact CB-CB 3.91Å; P404-M408 HydrophobicContact CB-SD 4.49Å; P404-M408 HydrophobicContact CG-CB 3.97Å; P404-M408 HydrophobicContact CG-SD 4.29Å
405G92.9Very high91Very high64 Ų6441.4 Ų41.466%0.6625%0.252SS*.SBendtrans-77.8-11.2173.200000113.7A367A367-G405 PolarHBondContact O-N 2.84Å
406K93.8Very high91Very high143 Ų14340.3 Ų40.362%0.62223%0.234SC*.SBendtrans-139.3156.6174.3-66.4-177.7-179176.30108.9I366 P404 M408I366-K406 HydrophobicContact CG2-CB 4.01Å; P404-K406 VanDerWaalsContact C-N 3.26Å; P404-K406 WeakPolarHBondContact CB-O 3.27Å; P404-K406 PolarHBondContact O-N 2.77Å; K406-M408 PolarHBondContact O-N 2.91Å
407P94.1Very high90.4Very high59 Ų5941.4 Ų41.438%0.38324%0.242SC..  trans-49.9126.5174.8-3036.8000111.4P280 E334 I366P280-P407 HydrophobicContact CB-CB 3.88Å; P280-P407 HydrophobicContact CG-CB 3.6Å; E334-P407 HydrophobicContact CG-CB 4.38Å; E334-P407 WeakPolarHBondContact OE1-CA 3.19Å; E334-P407 WeakPolarHBondContact OE1-CB 3.11Å; I366-P407 WeakPolarHBondContact CD1-O 3.05Å
408M93.9Very high89.9Confident2 Ų245 Ų451%0.0127%0.266CS..  trans-139.1142.3-174.6-172.8176.6-17100109.8A335 L359 C361 A364 I366 P404 K406 V410A335-M408 PolarHBondContact N-O 3.22Å; L359-M408 HydrophobicContact CD2-CE 4.07Å; L359-M408 HydrophobicContact CD2-SD 4.42Å; C361-M408 HydrophobicContact CB-CE 3.4Å; A364-M408 HydrophobicContact CB-CE 4.12Å; I366-M408 HydrophobicContact CB-SD 4.32Å; I366-M408 HydrophobicContact CD1-CB 3.71Å; I366-M408 HydrophobicContact CD1-CG 3.84Å; I366-M408 HydrophobicContact CD1-SD 4.38Å; P404-M408 HydrophobicContact CB-CB 3.91Å; P404-M408 HydrophobicContact CB-SD 4.49Å; P404-M408 HydrophobicContact CG-CB 3.97Å; P404-M408 HydrophobicContact CG-SD 4.29Å; K406-M408 PolarHBondContact O-N 2.91Å; M408-V410 HydrophobicContact CE-CG1 3.37Å; M408-V410 HydrophobicContact CG-CG1 3.98Å; M408-V410 HydrophobicContact SD-CG1 3.85Å
409C93.9Very high89.4Confident0 Ų045.2 Ų45.20%027%0.267CS..  trans-104.9123.5168.2-176.30000108.1A279 V323 M333 H362A279-C409 HydrophobicContact CB-CB 3.85Å; V323-C409 HydrophobicContact CB-CB 4.19Å; V323-C409 HydrophobicContact CG2-CB 3.89Å; M333-C409 PolarHBondContact O-SG 2.81Å; M333-C409 VanDerWaalsContact O-SG 3.36Å; H362-C409 PolarHBondContact NE2-O 3.47Å
410V92.9Very high88.9Confident19 Ų1944.6 Ų44.612%0.11527%0.269CS..  trans-141157.2171.7-69.30000108.3A335 F338 C361 M408A335-V410 HydrophobicContact CB-CG2 3.57Å; F338-V410 HydrophobicContact CB-CG2 4.43Å; F338-V410 HydrophobicContact CD1-CG2 3.57Å; F338-V410 HydrophobicContact CE1-CG2 3.93Å; F338-V410 HydrophobicContact CG-CG2 4Å; C361-V410 HydrophobicContact CB-CG1 4.37Å; M408-V410 HydrophobicContact CE-CG1 3.37Å; M408-V410 HydrophobicContact CG-CG1 3.98Å; M408-V410 HydrophobicContact SD-CG1 3.85Å
411E91.1Very high88.2Confident44 Ų4446.3 Ų46.321%0.20628%0.277CS..  trans-127.6163-176.8-67.1-70.6-17400110.8R247 F413 Y416 L419 G420R247-E411 IonicContact CZ-OE1 2.72Å; R247-E411 IonicContact NE-OE1 2.68Å; R247-E411 PolarHBondContact NE-OE1 2.88Å; R247-E411 IonicContact NH2-OE1 2.9Å; R247-E411 PolarHBondContact NH2-OE1 2.78Å; E411-F413 PolarHBondContact O-N 3.48Å; E411-Y416 HydrophobicContact CB-CD2 3.8Å; E411-Y416 HydrophobicContact CB-CG 4.19Å; E411-Y416 HydrophobicContact CG-CD2 3.73Å; E411-Y416 HydrophobicContact CG-CG 4.14Å; E411-L419 HydrophobicContact CB-CB 3.79Å; E411-L419 HydrophobicContact CG-CB 3.85Å; E411-L419 HydrophobicContact CG-CD2 3.72Å; E411-L419 HydrophobicContact CG-CG 4.46Å; E411-L419 PolarHBondContact N-O 2.6Å; E411-G420 WeakPolarHBondContact O-CA 3.39Å
412S88.5Confident87.2Confident59 Ų5947.3 Ų47.341%0.41329%0.286SS..  trans-62.2135.2169.5179.90000110.5S414 D415 Y416S412-S414 PolarHBondContact O-N 3.2Å; S412-S414 PolarHBondContact OG-N 2.82Å; S412-S414 PolarHBondContact OG-OG 3.44Å; S412-D415 WeakPolarHBondContact CB-OD2 3.41Å; S412-D415 PolarHBondContact O-N 2.92Å; S412-D415 VanDerWaalsContact O-N 3.1Å; S412-Y416 PolarHBondContact O-N 2.92Å
413F83.7Confident86.2Confident97 Ų9748.4 Ų48.443%0.42529%0.292SS..THydrogen-bonded Turntrans-58.4-32.7176.4177.5-86.3000113E411 D415 P417 K421E411-F413 PolarHBondContact O-N 3.48Å; F413-D415 VanDerWaalsContact C-N 3.27Å; F413-D415 PolarHBondContact O-N 2.87Å; F413-P417 WeakPolarHBondContact O-CA 3.24Å; F413-P417 WeakPolarHBondContact O-CD 3.47Å; F413-P417 VanDerWaalsContact O-CG 3.29Å; F413-P417 WeakPolarHBondContact O-CG 3.32Å; F413-K421 HydrophobicContact CD2-CD 4.45Å; F413-K421 HydrophobicContact CD2-CG 3.62Å; F413-K421 HydrophobicContact CE2-CD 3.96Å; F413-K421 HydrophobicContact CE2-CG 3.52Å
414S78.8Confident85.2Confident78 Ų7847.6 Ų47.655%0.54529%0.289SS..THydrogen-bonded Turntrans-64.3-37177.954.80000112S412S412-S414 PolarHBondContact O-N 3.2Å; S412-S414 PolarHBondContact OG-N 2.82Å; S412-S414 PolarHBondContact OG-OG 3.44Å
415D82.9Confident83.9Confident84 Ų8448.7 Ų48.745%0.44930%0.296SS..THydrogen-bonded Turntrans-92.7-50.9-167.4-53.8-19.4000108.7K244 S412 F413K244-D415 WeakPolarHBondContact CD-O 3.33Å; K244-D415 PolarHBondContact NZ-O 3.45Å; S412-D415 WeakPolarHBondContact CB-OD2 3.41Å; S412-D415 PolarHBondContact O-N 2.92Å; S412-D415 VanDerWaalsContact O-N 3.1Å; F413-D415 VanDerWaalsContact C-N 3.27Å; F413-D415 PolarHBondContact O-N 2.87Å
416Y82.5Confident82.3Confident22 Ų2252 Ų529%0.08631%0.309CS..  trans-129.281.3177.9-56.1-80000110.8K244 P245 R247 D330 E411 S412 P418 L419 G420K244-Y416 HydrophobicContact CB-CE1 4.48Å; P245-Y416 HydrophobicContact CB-CE1 4.49Å; P245-Y416 VanDerWaalsContact CB-OH 3.28Å; P245-Y416 WeakPolarHBondContact CB-OH 3.06Å; P245-Y416 WeakPolarHBondContact CD-OH 3.31Å; P245-Y416 WeakPolarHBondContact CG-OH 3.31Å; P245-Y416 WeakPolarHBondContact O-CE1 3.38Å; R247-Y416 HydrophobicContact CB-CD1 4.4Å; R247-Y416 HydrophobicContact CG-CD1 3.54Å; R247-Y416 HydrophobicContact CG-CE1 3.71Å; R247-Y416 HydrophobicContact CG-CG 4.03Å; D330-Y416 PolarHBondContact OD2-OH 3.03Å; E411-Y416 HydrophobicContact CB-CD2 3.8Å; E411-Y416 HydrophobicContact CB-CG 4.19Å; E411-Y416 HydrophobicContact CG-CD2 3.73Å; E411-Y416 HydrophobicContact CG-CG 4.14Å; S412-Y416 PolarHBondContact O-N 2.92Å; Y416-P418 VanDerWaalsContact C-N 3.3Å; Y416-P418 VanDerWaalsContact O-N 3.13Å; Y416-L419 PolarHBondContact O-N 2.92Å; Y416-G420 PolarHBondContact O-N 2.64Å; Y416-G420 VanDerWaalsContact O-N 3.11Å
417P78Confident81.7Confident42 Ų4247.5 Ų47.527%0.27329%0.294SS..THydrogen-bonded Turntrans-51.7-35.6-177.8-23.328.2000115.7F413 L419 K421F413-P417 WeakPolarHBondContact O-CA 3.24Å; F413-P417 WeakPolarHBondContact O-CD 3.47Å; F413-P417 VanDerWaalsContact O-CG 3.29Å; F413-P417 WeakPolarHBondContact O-CG 3.32Å; P417-L419 VanDerWaalsContact C-N 3.29Å; P417-L419 PolarHBondContact O-N 2.83Å; P417-K421 VanDerWaalsContact O-CD 3.31Å; P417-K421 WeakPolarHBondContact O-CD 3.41Å; P417-K421 VanDerWaalsContact O-CE 3.3Å; P417-K421 WeakPolarHBondContact O-CE 3.16Å; P417-K421 VanDerWaalsContact O-CG 3.31Å; P417-K421 WeakPolarHBondContact O-CG 3.09Å
418P76.6Confident81.1Confident79 Ų7946.8 Ų46.851%0.51329%0.289SS..THydrogen-bonded Turntrans-67.1-25.9176.7-22.835.5000114.3Y416Y416-P418 VanDerWaalsContact C-N 3.3Å; Y416-P418 VanDerWaalsContact O-N 3.13Å
419L84.2Confident80.4Confident4 Ų449.3 Ų49.32%0.02131%0.305CS..THydrogen-bonded Turntrans-102-11.5-176.6-82.969.7000113.7R247 P249 V323 C361 E411 Y416 P417R247-L419 HydrophobicContact CB-CD1 4.09Å; R247-L419 HydrophobicContact CB-CD2 4.05Å; R247-L419 HydrophobicContact CG-CD2 4.09Å; P249-L419 HydrophobicContact CG-CD1 4.31Å; V323-L419 HydrophobicContact CB-CD2 4.39Å; V323-L419 HydrophobicContact CG1-CD2 3.64Å; V323-L419 HydrophobicContact CG2-CD2 3.89Å; C361-L419 PolarHBondContact SG-O 2.85Å; E411-L419 HydrophobicContact CB-CB 3.79Å; E411-L419 HydrophobicContact CG-CB 3.85Å; E411-L419 HydrophobicContact CG-CD2 3.72Å; E411-L419 HydrophobicContact CG-CG 4.46Å; E411-L419 PolarHBondContact N-O 2.6Å; Y416-L419 PolarHBondContact O-N 2.92Å; P417-L419 VanDerWaalsContact C-N 3.29Å; P417-L419 PolarHBondContact O-N 2.83Å
420G82.9Confident79.6Confident24 Ų2452.2 Ų52.225%0.24732%0.322CS..SBendtrans-99.55177.500000115.1E411 Y416E411-G420 WeakPolarHBondContact O-CA 3.39Å; Y416-G420 PolarHBondContact O-N 2.64Å; Y416-G420 VanDerWaalsContact O-N 3.11Å
421K78.8Confident78.7Confident35 Ų3554.3 Ų54.315%0.15234%0.335CS..  trans-101.6129.6176.8-70166.6-167.4167.70109.9L143 C361 F413 P417L143-K421 HydrophobicContact CB-CD 4.49Å; L143-K421 HydrophobicContact CD2-CB 4.18Å; L143-K421 HydrophobicContact CD2-CD 4.23Å; L143-K421 WeakPolarHBondContact O-CD 3.48Å; L143-K421 WeakPolarHBondContact O-CE 3.48Å; L143-K421 PolarHBondContact O-NZ 2.86Å; C361-K421 PolarHBondContact SG-O 3.48Å; F413-K421 HydrophobicContact CD2-CD 4.45Å; F413-K421 HydrophobicContact CD2-CG 3.62Å; F413-K421 HydrophobicContact CE2-CD 3.96Å; F413-K421 HydrophobicContact CE2-CG 3.52Å; P417-K421 VanDerWaalsContact O-CD 3.31Å; P417-K421 WeakPolarHBondContact O-CD 3.41Å; P417-K421 VanDerWaalsContact O-CE 3.3Å; P417-K421 WeakPolarHBondContact O-CE 3.16Å; P417-K421 VanDerWaalsContact O-CG 3.31Å; P417-K421 WeakPolarHBondContact O-CG 3.09Å
422S75.5Confident77.9Confident53 Ų5355 Ų5537%0.37134%0.344SS..EExtended strand (participates in β ladder)trans-143.2149.5-179.6-44.90000112.3L359 D360 C361L359-S422 VanDerWaalsContact CD1-CB 3.45Å; D360-S422 CarbonylContact O-C 3.59Å; D360-S422 VanDerWaalsContact O-CA 3.26Å; D360-S422 WeakPolarHBondContact O-CA 2.99Å; C361-S422 VanDerWaalsContact CB-OG 3.24Å; C361-S422 WeakPolarHBondContact CB-OG 3.28Å; C361-S422 PolarHBondContact SG-OG 3.45Å
423L73.8Confident77.1Confident28 Ų2854.7 Ų54.715%0.14734%0.339CS..EExtended strand (participates in β ladder)trans-113.8131.3170.7-175.480000110I103 L139 L345 L359 D360I103-L423 HydrophobicContact CD1-CB 3.86Å; I103-L423 HydrophobicContact CD1-CD1 3.58Å; I103-L423 HydrophobicContact CD1-CD2 3.04Å; I103-L423 HydrophobicContact CD1-CG 3.6Å; L139-L423 HydrophobicContact CD2-CD1 4.39Å; L345-L423 HydrophobicContact CD1-CD1 4.41Å; L359-L423 WeakPolarHBondContact CA-O 3.13Å; D360-L423 PolarHBondContact N-O 3.39Å; D360-L423 PolarHBondContact O-N 2.89Å
424C75.1Confident76.6Confident46 Ų4651.5 Ų51.531%0.31133%0.333SS..EExtended strand (participates in β ladder)trans-86.8115.1166.4-61.50000109.9P357 L359P357-C424 HydrophobicContact CB-CB 4.18Å; P357-C424 HydrophobicContact CG-CB 3.99Å; L359-C424 WeakPolarHBondContact CD1-SG 3.35Å
425C68.7Low76.4Confident40 Ų4049.3 Ų49.327%0.2732%0.315SS..EExtended strand (participates in β ladder)trans-89.9124.2166.6-65.30000109P357 V358 D360P357-C425 WeakPolarHBondContact CB-O 3.4Å; V358-C425 PolarHBondContact N-O 3.23Å; V358-C425 VanDerWaalsContact N-O 3.14Å; V358-C425 PolarHBondContact O-N 3.26Å; D360-C425 PolarHBondContact OD2-SG 3.4Å; D360-C425 VanDerWaalsContact OD2-SG 3.37Å
426S58.4Low75.9Confident134 Ų13446.1 Ų46.194%0.93730%0.303SS*.  trans-840177.262.70000113.1Y355Y355-S426 WeakPolarHBondContact OH-CA 3.33Å; Y355-S426 WeakPolarHBondContact OH-CB 3.47Å

Retrieved 426 of 426 residues in 477.4 ms (Link to these results)

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