A0A087X8S2_POEFO Loading...

Ectonucleoside triphosphate diphosphohydrolase 2

AlphaFold DB , UniProt , Accession A0A087X8S2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 506 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
1M41.9Very low53.4Low250 Ų250134.3 Ų134.3100%1.23275%0.75SS**  0129.20-68.3175.8-136.600106.3
2A42.1Very low55.1Low92 Ų92129.9 Ų129.976%0.7672%0.722SS**  cis-145.6138.720.300000109.4F4A2-F4 PolarHBondContact O-N 2.93Å
3R40.3Very low56.2Low248 Ų248123.5 Ų123.594%0.93670%0.696SS**  trans-68.1116.9168.7-83.4177.8170.2172.9-3.6107.6S5R3-S5 VanDerWaalsContact C-N 3.33Å; R3-S5 PolarHBondContact O-N 3.2Å
4F46.2Very low57.3Low215 Ų215123.9 Ų123.994%0.94370%0.695SS**  trans-62.199.4162.7-95.8-94.3000107.5A2 A6A2-F4 PolarHBondContact O-N 2.93Å; F4-A6 PolarHBondContact O-N 3.19Å; F4-A6 VanDerWaalsContact O-N 3.11Å
5S48Very low58.6Low104 Ų104123.4 Ų123.473%0.72769%0.689SS**  trans-60.2111.9169.148.10000107.9R3 L7R3-S5 VanDerWaalsContact C-N 3.33Å; R3-S5 PolarHBondContact O-N 3.2Å; S5-L7 PolarHBondContact O-N 2.74Å
6A53Low59.7Low97 Ų97121.9 Ų121.980%0.80268%0.679SS**  trans-52.5114.7167.500000107.3F4F4-A6 PolarHBondContact O-N 3.19Å; F4-A6 VanDerWaalsContact O-N 3.11Å
7L56.7Low60.4Low127 Ų127124.6 Ų124.667%0.66568%0.682SS**  trans-51.1134.3175.9-142.683.1000107.1S5 I9S5-L7 PolarHBondContact O-N 2.74Å; L7-I9 HydrophobicContact CB-CG1 4.04Å; L7-I9 HydrophobicContact CD2-CG1 4.49Å; L7-I9 WeakPolarHBondContact O-CG1 3.36Å; L7-I9 PolarHBondContact O-N 3.04Å
8P59.8Low61.3Low71 Ų71119.7 Ų119.746%0.46167%0.665SS.*  trans-77.671.4-17731.8-31.5000108.3A10 P11 I12P8-A10 VanDerWaalsContact C-N 3.33Å; P8-A10 PolarHBondContact O-N 3.16Å; P8-P11 HydrophobicContact CB-CG 3.99Å; P8-P11 WeakPolarHBondContact O-CD 3.31Å; P8-I12 HydrophobicContact CG-CD1 3.84Å; P8-I12 HydrophobicContact CG-CG1 4.3Å; P8-I12 WeakPolarHBondContact O-CB 3.3Å; P8-I12 WeakPolarHBondContact O-CD1 3.44Å; P8-I12 WeakPolarHBondContact O-CG1 3.34Å; P8-I12 PolarHBondContact O-N 3.38Å
9I63.5Low62.2Low124 Ų124118.6 Ų118.664%0.63666%0.657SS**Hα-helixtrans-64.7-40.7-172.9-64.1167.2000110L7 A13L7-I9 HydrophobicContact CB-CG1 4.04Å; L7-I9 HydrophobicContact CD2-CG1 4.49Å; L7-I9 WeakPolarHBondContact O-CG1 3.36Å; L7-I9 PolarHBondContact O-N 3.04Å; I9-A13 WeakPolarHBondContact O-CB 3.27Å; I9-A13 PolarHBondContact O-N 3.43Å
10A62.8Low62.9Low68 Ų68116.6 Ų116.656%0.56265%0.648SS**Hα-helixtrans-69.7-47.3-17800000114P8 I12 A13 L14P8-A10 VanDerWaalsContact C-N 3.33Å; P8-A10 PolarHBondContact O-N 3.16Å; A10-I12 VanDerWaalsContact C-N 3.34Å; A10-I12 PolarHBondContact O-N 3.32Å; A10-A13 PolarHBondContact O-N 2.92Å; A10-L14 WeakPolarHBondContact O-CB 3.49Å; A10-L14 PolarHBondContact O-N 3.33Å
11P73.3Confident63.5Low81 Ų81112.4 Ų112.453%0.52663%0.631SS.*Hα-helixtrans-61.2-40.4174-23.731.7000113.1P8 L14 L15P8-P11 HydrophobicContact CB-CG 3.99Å; P8-P11 WeakPolarHBondContact O-CD 3.31Å; P11-L14 PolarHBondContact O-N 2.87Å; P11-L15 WeakPolarHBondContact O-CB 3.37Å; P11-L15 PolarHBondContact O-N 2.89Å
12I74Confident65.3Low82 Ų82105.7 Ų105.742%0.42160%0.599SS.*Hα-helixtrans-66.4-42.7177.8-67.9170.5000110.4P8 A10 L15 L16P8-I12 HydrophobicContact CG-CD1 3.84Å; P8-I12 HydrophobicContact CG-CG1 4.3Å; P8-I12 WeakPolarHBondContact O-CB 3.3Å; P8-I12 WeakPolarHBondContact O-CD1 3.44Å; P8-I12 WeakPolarHBondContact O-CG1 3.34Å; P8-I12 PolarHBondContact O-N 3.38Å; A10-I12 VanDerWaalsContact C-N 3.34Å; A10-I12 PolarHBondContact O-N 3.32Å; I12-L15 PolarHBondContact O-N 3.38Å; I12-L16 HydrophobicContact CG2-CD1 3.91Å; I12-L16 HydrophobicContact CG2-CG 4.44Å; I12-L16 WeakPolarHBondContact O-CB 3.44Å; I12-L16 VanDerWaalsContact O-CG 3.31Å; I12-L16 WeakPolarHBondContact O-CG 3.31Å; I12-L16 PolarHBondContact O-N 2.92Å
13A68.6Low66.9Low46 Ų46104.6 Ų104.638%0.3858%0.58SS.*Hα-helixtrans-63.2-43177.100000112I9 A10 L16 F17I9-A13 WeakPolarHBondContact O-CB 3.27Å; I9-A13 PolarHBondContact O-N 3.43Å; A10-A13 PolarHBondContact O-N 2.92Å; A13-L16 PolarHBondContact O-N 3.32Å; A13-F17 WeakPolarHBondContact O-CB 3.41Å; A13-F17 PolarHBondContact O-N 2.85Å
14L72.3Confident68.4Low129 Ų12998.1 Ų98.168%0.67556%0.564SS**Hα-helixtrans-62.9-41.3175.6-88158.7000112.5A10 P11 F17 G18A10-L14 WeakPolarHBondContact O-CB 3.49Å; A10-L14 PolarHBondContact O-N 3.33Å; P11-L14 PolarHBondContact O-N 2.87Å; L14-F17 PolarHBondContact O-N 3.42Å; L14-G18 PolarHBondContact O-N 3.41Å
15L76Confident69.7Low117 Ų11795.2 Ų95.261%0.61356%0.557SS**Hα-helixtrans-69-39.7179.2-158.1148.3000111.3P11 I12 G18 L19P11-L15 WeakPolarHBondContact O-CB 3.37Å; P11-L15 PolarHBondContact O-N 2.89Å; I12-L15 PolarHBondContact O-N 3.38Å; L15-G18 PolarHBondContact O-N 3.36Å; L15-L19 HydrophobicContact CD2-CD1 3.67Å; L15-L19 HydrophobicContact CD2-CG 4.29Å; L15-L19 WeakPolarHBondContact O-CB 3.33Å; L15-L19 WeakPolarHBondContact O-CG 3.37Å; L15-L19 PolarHBondContact O-N 3.35Å
16L76.4Confident71.2Confident99 Ų9994.8 Ų94.852%0.51855%0.55SS.*Hα-helixtrans-64.2-42.2171.3-73.5170000111.9I12 A13 L19 V20I12-L16 HydrophobicContact CG2-CD1 3.91Å; I12-L16 HydrophobicContact CG2-CG 4.44Å; I12-L16 WeakPolarHBondContact O-CB 3.44Å; I12-L16 VanDerWaalsContact O-CG 3.31Å; I12-L16 WeakPolarHBondContact O-CG 3.31Å; I12-L16 PolarHBondContact O-N 2.92Å; A13-L16 PolarHBondContact O-N 3.32Å; L16-L19 PolarHBondContact O-N 3.36Å; L16-V20 WeakPolarHBondContact O-CB 3.25Å; L16-V20 VanDerWaalsContact O-CG2 3.25Å; L16-V20 WeakPolarHBondContact O-CG2 3.44Å; L16-V20 PolarHBondContact O-N 3.02Å
17F72.4Confident72.4Confident169 Ų16991.8 Ų91.874%0.74152%0.52SS*.Hα-helixtrans-62.9-42.1175.5-120.8-86.3000111.8A13 L14 V20 G21A13-F17 WeakPolarHBondContact O-CB 3.41Å; A13-F17 PolarHBondContact O-N 2.85Å; L14-F17 PolarHBondContact O-N 3.42Å; F17-V20 PolarHBondContact O-N 2.92Å; F17-G21 PolarHBondContact O-N 3.43Å
18G75.5Confident73.4Confident36 Ų3689.3 Ų89.337%0.37151%0.512SS..Hα-helixtrans-63-44.3175.600000112.4L14 L15 G21 I22L14-G18 PolarHBondContact O-N 3.41Å; L15-G18 PolarHBondContact O-N 3.36Å; G18-G21 PolarHBondContact O-N 2.99Å; G18-I22 VanDerWaalsContact O-CG1 3.3Å; G18-I22 WeakPolarHBondContact O-CG1 3.19Å; G18-I22 PolarHBondContact O-N 3.32Å
19L78.8Confident74.4Confident99 Ų9988.9 Ų88.952%0.51851%0.511SS..Hα-helixtrans-63.7-42.9175.3-77.8170000112.3L15 L16 G21 I22 L23L15-L19 HydrophobicContact CD2-CD1 3.67Å; L15-L19 HydrophobicContact CD2-CG 4.29Å; L15-L19 WeakPolarHBondContact O-CB 3.33Å; L15-L19 WeakPolarHBondContact O-CG 3.37Å; L15-L19 PolarHBondContact O-N 3.35Å; L16-L19 PolarHBondContact O-N 3.36Å; L19-G21 VanDerWaalsContact C-N 3.35Å; L19-I22 PolarHBondContact O-N 2.89Å; L19-L23 VanDerWaalsContact O-CB 3.27Å; L19-L23 WeakPolarHBondContact O-CB 3.39Å; L19-L23 PolarHBondContact O-N 3.21Å
20V77.4Confident75.3Confident78 Ų7887.1 Ų87.147%0.47350%0.5SS..Hα-helixtrans-64.6-40.8175.6170.70000110.8L16 F17 L23 L24L16-V20 WeakPolarHBondContact O-CB 3.25Å; L16-V20 VanDerWaalsContact O-CG2 3.25Å; L16-V20 WeakPolarHBondContact O-CG2 3.44Å; L16-V20 PolarHBondContact O-N 3.02Å; F17-V20 PolarHBondContact O-N 2.92Å; V20-L23 PolarHBondContact O-N 3.46Å; V20-L24 HydrophobicContact CG1-CD1 3.89Å; V20-L24 HydrophobicContact CG1-CG 4.35Å; V20-L24 WeakPolarHBondContact O-CB 3.35Å; V20-L24 VanDerWaalsContact O-CG 3.27Å; V20-L24 WeakPolarHBondContact O-CG 3.34Å; V20-L24 PolarHBondContact O-N 3.44Å
21G75Confident76.1Confident29 Ų2988.6 Ų88.630%0.29950%0.498SS..Hα-helixtrans-61.2-46.8174.900000112.8F17 G18 L19 L24 L25F17-G21 PolarHBondContact O-N 3.43Å; G18-G21 PolarHBondContact O-N 2.99Å; L19-G21 VanDerWaalsContact C-N 3.35Å; G21-L24 PolarHBondContact O-N 2.98Å; G21-L25 VanDerWaalsContact O-CG 3.29Å; G21-L25 WeakPolarHBondContact O-CG 3.48Å; G21-L25 PolarHBondContact O-N 3.32Å
22I79.1Confident76.3Confident108 Ų10887.5 Ų87.555%0.55449%0.49SS*.Hα-helixtrans-64.6-41.2176.5-67.5165.6000110.9G18 L19 L25 T26G18-I22 VanDerWaalsContact O-CG1 3.3Å; G18-I22 WeakPolarHBondContact O-CG1 3.19Å; G18-I22 PolarHBondContact O-N 3.32Å; L19-I22 PolarHBondContact O-N 2.89Å; I22-L25 PolarHBondContact O-N 3.45Å; I22-T26 HydrophobicContact CG2-CG2 4.37Å; I22-T26 WeakPolarHBondContact O-CB 3.45Å; I22-T26 WeakPolarHBondContact O-CG2 3.39Å; I22-T26 PolarHBondContact O-N 2.9Å; I22-T26 PolarHBondContact O-OG1 2.74Å
23L76.9Confident76.2Confident69 Ų6990.7 Ų90.736%0.36150%0.503SS..Hα-helixtrans-60.9-47.4176.1-170.377.7000110.4L19 V20 L25 T26 I27 L475 L478L19-L23 VanDerWaalsContact O-CB 3.27Å; L19-L23 WeakPolarHBondContact O-CB 3.39Å; L19-L23 PolarHBondContact O-N 3.21Å; V20-L23 PolarHBondContact O-N 3.46Å; L23-L25 VanDerWaalsContact C-N 3.27Å; L23-L25 PolarHBondContact O-N 2.95Å; L23-T26 PolarHBondContact O-N 3.33Å; L23-T26 VanDerWaalsContact O-N 3.16Å; L23-T26 PolarHBondContact O-OG1 3.02Å; L23-I27 VanDerWaalsContact O-CG1 3.31Å; L23-I27 WeakPolarHBondContact O-CG1 3.39Å; L23-I27 PolarHBondContact O-N 3.11Å; L23-L475 HydrophobicContact CD2-CD2 3.94Å; L23-L478 HydrophobicContact CD2-CD1 4.12Å
24L71Confident76.4Confident113 Ų11391 Ų9159%0.59250%0.498SS*.Hα-helixtrans-62-34.5178.9-73.9170.4000112.8V20 G21 I27V20-L24 HydrophobicContact CG1-CD1 3.89Å; V20-L24 HydrophobicContact CG1-CG 4.35Å; V20-L24 WeakPolarHBondContact O-CB 3.35Å; V20-L24 VanDerWaalsContact O-CG 3.27Å; V20-L24 WeakPolarHBondContact O-CG 3.34Å; V20-L24 PolarHBondContact O-N 3.44Å; G21-L24 PolarHBondContact O-N 2.98Å; L24-I27 HydrophobicContact CD2-CD1 3.96Å
25L73.8Confident76.5Confident153 Ų15389.2 Ų89.280%0.80150%0.502SS*.Hα-helixtrans-78-21177.6-70.8168.8000113.9G21 I22 L23G21-L25 VanDerWaalsContact O-CG 3.29Å; G21-L25 WeakPolarHBondContact O-CG 3.48Å; G21-L25 PolarHBondContact O-N 3.32Å; I22-L25 PolarHBondContact O-N 3.45Å; L23-L25 VanDerWaalsContact C-N 3.27Å; L23-L25 PolarHBondContact O-N 2.95Å
26T78.1Confident76.6Confident95 Ų9585.4 Ų85.458%0.58348%0.484SS*.Hα-helixtrans-102-2.9-176.850.40000113.8I22 L23 P28I22-T26 HydrophobicContact CG2-CG2 4.37Å; I22-T26 WeakPolarHBondContact O-CB 3.45Å; I22-T26 WeakPolarHBondContact O-CG2 3.39Å; I22-T26 PolarHBondContact O-N 2.9Å; I22-T26 PolarHBondContact O-OG1 2.74Å; L23-T26 PolarHBondContact O-N 3.33Å; L23-T26 VanDerWaalsContact O-N 3.16Å; L23-T26 PolarHBondContact O-OG1 3.02Å; T26-P28 WeakPolarHBondContact O-CD 3.45Å
27I79.7Confident77.1Confident34 Ų3482.7 Ų82.717%0.17448%0.48CS..SBendtrans-61.1121.4174.9-76.8158.2000109.8L23 L24 S29 L467 A471 L475L23-I27 VanDerWaalsContact O-CG1 3.31Å; L23-I27 WeakPolarHBondContact O-CG1 3.39Å; L23-I27 PolarHBondContact O-N 3.11Å; L24-I27 HydrophobicContact CD2-CD1 3.96Å; I27-S29 PolarHBondContact O-N 2.75Å; I27-S29 VanDerWaalsContact O-N 3.12Å; I27-L467 HydrophobicContact CD1-CD2 4.37Å; I27-L467 HydrophobicContact CG2-CD2 3.38Å; I27-L467 HydrophobicContact CG2-CG 3.75Å; I27-A471 HydrophobicContact CG2-CB 4.03Å; I27-L475 HydrophobicContact CD1-CD1 3.5Å; I27-L475 VanDerWaalsContact CD1-CD1 3.5Å; I27-L475 HydrophobicContact CD1-CD2 3.95Å; I27-L475 HydrophobicContact CD1-CG 4.24Å; I27-L475 HydrophobicContact CG1-CD1 4.02Å; I27-L475 HydrophobicContact CG1-CD2 4.46Å
28P78.1Confident77.9Confident76 Ų7679 Ų7949%0.49446%0.464SS..PPolyproline II helixtrans-67.8116.2173.823.3-27.3000109.6T26 T468 A471T26-P28 WeakPolarHBondContact O-CD 3.45Å; P28-T468 HydrophobicContact CB-CG2 4.36Å; P28-T468 PolarHBondContact O-N 3.41Å; P28-T468 PolarHBondContact O-OG1 3.31Å; P28-A471 HydrophobicContact CG-CB 3.97Å
29S80.4Confident78.8Confident62 Ų6278.6 Ų78.643%0.43445%0.452SS..EExtended strand (participates in β ladder)trans-100148.2170.1600000110.1I27 T466I27-S29 PolarHBondContact O-N 2.75Å; I27-S29 VanDerWaalsContact O-N 3.12Å; S29-T466 CarbonylContact C-O 3.49Å; S29-T466 VanDerWaalsContact CA-O 3.22Å; S29-T466 WeakPolarHBondContact CA-O 3.29Å; S29-T466 WeakPolarHBondContact CB-O 3.42Å
30Q81.4Confident79.6Confident87 Ų8775.1 Ų75.141%0.40743%0.432SS..EExtended strand (participates in β ladder)trans-120.8144.4172.962.5-177.37.900109.3V32 T466 T468Q30-V32 HydrophobicContact CG-CG2 4.1Å; Q30-V32 PolarHBondContact O-N 3.12Å; Q30-T466 WeakPolarHBondContact CG-OG1 3.22Å; Q30-T466 PolarHBondContact N-O 3.47Å; Q30-T466 PolarHBondContact O-N 3.27Å; Q30-T466 PolarHBondContact O-OG1 2.83Å; Q30-T468 HydrophobicContact CB-CG2 4.16Å; Q30-T468 HydrophobicContact CG-CG2 4.17Å
31D80.6Confident80.5Confident98 Ų9871.4 Ų71.452%0.52441%0.41SS..EExtended strand (participates in β ladder)trans-78.5118.4174.1-72.7-13.5000108.2V463 K465D31-V463 HydrophobicContact CB-CG1 3.45Å; D31-V463 VanDerWaalsContact CB-CG1 3.45Å; D31-K465 VanDerWaalsContact OD1-CD 3.24Å; D31-K465 WeakPolarHBondContact OD1-CD 3.27Å; D31-K465 WeakPolarHBondContact OD1-CE 3.46Å; D31-K465 IonicContact OD1-NZ 2.75Å; D31-K465 PolarHBondContact OD1-NZ 2.95Å; D31-K465 IonicContact OD2-NZ 3.54Å
32V76.3Confident81.6Confident59 Ų5970 Ų7036%0.35840%0.396SS..EExtended strand (participates in β ladder)trans-111.9129.2174.9-178.90000107.6Q30 R464 T466Q30-V32 HydrophobicContact CG-CG2 4.1Å; Q30-V32 PolarHBondContact O-N 3.12Å; V32-R464 PolarHBondContact N-O 3.28Å; V32-R464 PolarHBondContact O-N 3.06Å; V32-T466 HydrophobicContact CB-CG2 3.83Å; V32-T466 HydrophobicContact CG2-CG2 3.65Å; V32-T466 WeakPolarHBondContact CG2-OG1 3.4Å
33Q72.6Confident82.5Confident148 Ų14864.9 Ų64.969%0.69237%0.369SS*.EExtended strand (participates in β ladder)trans-71.9129.2174.2-74.7179.4-1200109.6A461Q33-A461 HydrophobicContact CB-CB 3.94Å; Q33-A461 HydrophobicContact CG-CB 4.25Å
34D73.6Confident83.5Confident52 Ų5261.7 Ų61.728%0.27835%0.353SS..PPolyproline II helixtrans-64.1158168.2-81.8-19.2000109.9A461 G462 R464D34-A461 VanDerWaalsContact O-CB 3.24Å; D34-A461 WeakPolarHBondContact O-CB 3.41Å; D34-G462 PolarHBondContact N-O 2.71Å; D34-R464 VanDerWaalsContact CG-NE 3.29Å; D34-R464 VanDerWaalsContact OD1-CD 3.25Å; D34-R464 WeakPolarHBondContact OD1-CD 3.35Å; D34-R464 WeakPolarHBondContact OD1-CG 3.46Å; D34-R464 IonicContact OD1-CZ 3.84Å; D34-R464 IonicContact OD1-NE 3.27Å; D34-R464 PolarHBondContact OD1-NE 3.35Å; D34-R464 IonicContact OD1-NH2 2.96Å; D34-R464 IonicContact OD2-CZ 3.24Å; D34-R464 IonicContact OD2-NE 2.83Å; D34-R464 PolarHBondContact OD2-NE 2.87Å; D34-R464 IonicContact OD2-NH2 2.66Å; D34-R464 PolarHBondContact OD2-NH2 2.85Å
35A73Confident84.8Confident93 Ų9357.5 Ų57.577%0.76933%0.331SS*.PPolyproline II helixtrans-58.4129.6169.100000108.9G37A35-G37 PolarHBondContact O-N 3.18Å
36P79.1Confident85.9Confident36 Ų3650.2 Ų50.223%0.23429%0.293CS..PPolyproline II helixtrans-59136.7177.225.2-34.2000109.2P59 D61P36-P59 HydrophobicContact CG-CB 3.98Å; P36-D61 HydrophobicContact CB-CB 4.13Å; P36-D61 HydrophobicContact CG-CB 4.3Å; P36-D61 VanDerWaalsContact CG-CG 3.49Å; P36-D61 WeakPolarHBondContact CG-OD1 3.45Å
37G85.5Confident86.7Confident42 Ų4246.3 Ų46.343%0.43327%0.271SS..PPolyproline II helixtrans-63.2168.9172.500000111.2A35 A60A35-G37 PolarHBondContact O-N 3.18Å; G37-A60 WeakPolarHBondContact O-CB 3.35Å; G37-A60 PolarHBondContact O-N 3.45Å
38F90.9Very high87.4Confident92 Ų9245.7 Ų45.740%0.40427%0.27SS..EExtended strand (participates in β ladder)trans-87143.4174.7-71.3-78.5000112.1Y40 K57 W58 P59 K111F38-Y40 HydrophobicContact CB-CE2 3.98Å; F38-K57 HydrophobicContact CD1-CB 4.5Å; F38-K57 HydrophobicContact CD1-CD 4.46Å; F38-K57 HydrophobicContact CD1-CG 4.45Å; F38-W58 WeakPolarHBondContact CA-O 3.35Å; F38-P59 HydrophobicContact CE1-CG 4.24Å; F38-K111 WeakPolarHBondContact O-CE 3.47Å; F38-K111 PolarHBondContact O-NZ 3.15Å
39K93.1Very high87.9Confident28 Ų2844.4 Ų44.412%0.12226%0.263CS..EExtended strand (participates in β ladder)trans-101.7156.1157.9-66-164.4-179.2-1550109.3K57 W58 A60 P457 E459K39-K57 WeakPolarHBondContact O-CA 3.4Å; K39-W58 HydrophobicContact CB-CD2 4.18Å; K39-W58 HydrophobicContact CB-CH2 4.43Å; K39-W58 HydrophobicContact CB-CZ2 3.74Å; K39-W58 HydrophobicContact CD-CZ2 4.49Å; K39-W58 PolarHBondContact N-O 2.96Å; K39-W58 PolarHBondContact O-N 2.9Å; K39-A60 HydrophobicContact CD-CB 4.36Å; K39-A60 HydrophobicContact CG-CB 3.87Å; K39-P457 PolarHBondContact NZ-O 3.06Å; K39-E459 WeakPolarHBondContact CE-OE1 3.28Å; K39-E459 IonicContact NZ-OE1 3.5Å; K39-E459 PolarHBondContact NZ-OE1 3.37Å
40Y95.4Very high88.6Confident25 Ų2545.5 Ų45.510%0.09826%0.261CS..EExtended strand (participates in β ladder)trans-127.2158.2179.3-65.3-99.1000109.4F38 I55 Y56 K57 W58 H72 I107 P108 K111 P116F38-Y40 HydrophobicContact CB-CE2 3.98Å; Y40-I55 HydrophobicContact CD1-CG2 4.25Å; Y40-Y56 CarbonylContact C-O 3.53Å; Y40-Y56 WeakPolarHBondContact CA-O 3.45Å; Y40-K57 HydrophobicContact CD1-CB 3.85Å; Y40-K57 HydrophobicContact CE1-CB 3.89Å; Y40-K57 HydrophobicContact CE1-CD 4.34Å; Y40-K57 HydrophobicContact CG-CB 4.45Å; Y40-W58 WeakPolarHBondContact O-CH2 3.33Å; Y40-H72 AromaticContact CE1-CD2 3.88Å; Y40-I107 HydrophobicContact CD1-CD1 4.39Å; Y40-I107 HydrophobicContact CD1-CG1 4.07Å; Y40-I107 HydrophobicContact CD1-CG2 4.21Å; Y40-I107 HydrophobicContact CD2-CG2 4.13Å; Y40-I107 HydrophobicContact CG-CG1 4.5Å; Y40-I107 HydrophobicContact CG-CG2 3.95Å; Y40-P108 HydrophobicContact CE2-CG 4.4Å; Y40-K111 HydrophobicContact CD2-CB 4.06Å; Y40-K111 HydrophobicContact CD2-CG 4.12Å; Y40-K111 HydrophobicContact CE2-CB 4.38Å; Y40-K111 HydrophobicContact CE2-CG 4.04Å; Y40-P116 VanDerWaalsContact O-CD 3.26Å; Y40-P116 WeakPolarHBondContact O-CD 3.1Å
41G96.6Very high89.3Confident0 Ų041.4 Ų41.40%024%0.242CC..EExtended strand (participates in β ladder)trans-154.5147.5169.900000110.3Y56G41-Y56 PolarHBondContact N-O 3.26Å; G41-Y56 PolarHBondContact O-N 3.49Å
42I98.2Very high90Very high0 Ų036.9 Ų36.90%022%0.218CC..EExtended strand (participates in β ladder)trans-117.6132.6-178.4-58.9168000109L44 L53 F54 I55 A103 I107 T115 P116 V117 Y118 F152I42-L44 HydrophobicContact CG2-CD1 4.05Å; I42-L53 HydrophobicContact CG2-CD1 3.88Å; I42-L53 HydrophobicContact CG2-CD2 3.85Å; I42-L53 HydrophobicContact CG2-CG 3.66Å; I42-F54 WeakPolarHBondContact CA-O 3.18Å; I42-I55 HydrophobicContact CG1-CG1 4.37Å; I42-A103 HydrophobicContact CD1-CB 3.87Å; I42-I107 HydrophobicContact CD1-CD1 3.73Å; I42-I107 HydrophobicContact CG1-CD1 3.95Å; I42-T115 HydrophobicContact CD1-CG2 4.02Å; I42-T115 HydrophobicContact CG1-CG2 3.98Å; I42-P116 PolarHBondContact N-O 2.49Å; I42-V117 HydrophobicContact CB-CB 4.35Å; I42-V117 HydrophobicContact CB-CG1 4.05Å; I42-V117 HydrophobicContact CB-CG2 4.06Å; I42-V117 HydrophobicContact CD1-CG2 3.91Å; I42-V117 HydrophobicContact CG1-CG2 4.44Å; I42-V117 HydrophobicContact CG2-CG1 3.94Å; I42-V117 WeakPolarHBondContact O-CA 3.46Å; I42-Y118 PolarHBondContact O-N 3.25Å; I42-F152 HydrophobicContact CD1-CD1 4.18Å; I42-F152 HydrophobicContact CD1-CD2 3.88Å; I42-F152 HydrophobicContact CD1-CE1 4.05Å; I42-F152 HydrophobicContact CD1-CE2 3.75Å; I42-F152 HydrophobicContact CD1-CG 4.09Å; I42-F152 HydrophobicContact CD1-CZ 3.83Å
43V98.3Very high91.1Very high0 Ų034.3 Ų34.30%020%0.202CC..EExtended strand (participates in β ladder)trans-123.7126171.4-175.80000108.9F54 Y56 Y118 W444 A445 Y448 M449V43-F54 PolarHBondContact N-O 3.01Å; V43-F54 PolarHBondContact O-N 3.22Å; V43-Y56 HydrophobicContact CB-CE2 4.29Å; V43-Y56 HydrophobicContact CG2-CD2 4.26Å; V43-Y56 HydrophobicContact CG2-CE2 4.07Å; V43-Y118 CarbonylContact C-O 3.55Å; V43-Y118 WeakPolarHBondContact CA-O 3.41Å; V43-W444 HydrophobicContact CG1-CH2 3.82Å; V43-W444 HydrophobicContact CG1-CZ3 3.84Å; V43-A445 HydrophobicContact CB-CB 4.16Å; V43-A445 HydrophobicContact CG1-CB 3.78Å; V43-Y448 HydrophobicContact CG2-CD1 4.16Å; V43-M449 HydrophobicContact CG2-CB 4.24Å; V43-M449 HydrophobicContact CG2-CE 3.45Å; V43-M449 VanDerWaalsContact CG2-CE 3.45Å
44L98.3Very high92.3Very high2 Ų228 Ų281%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-98.2110.9167.8-62.991.2000108.1I42 A46 S52 L53 L96 V117 Y118 L119 G120 I147I42-L44 HydrophobicContact CG2-CD1 4.05Å; L44-A46 PolarHBondContact O-N 2.96Å; L44-S52 CarbonylContact C-O 3.49Å; L44-S52 WeakPolarHBondContact CA-O 3.42Å; L44-L53 HydrophobicContact CD1-CD1 4.32Å; L44-L53 HydrophobicContact CD2-CD1 4.12Å; L44-L53 HydrophobicContact CG-CB 4.24Å; L44-L53 HydrophobicContact CG-CD1 4.03Å; L44-L53 HydrophobicContact CG-CG 4.14Å; L44-L96 HydrophobicContact CD2-CB 4.44Å; L44-L96 HydrophobicContact CD2-CD1 4.04Å; L44-L96 HydrophobicContact CD2-CD2 4.11Å; L44-L96 HydrophobicContact CD2-CG 4.42Å; L44-V117 HydrophobicContact CD1-CG1 3.43Å; L44-V117 VanDerWaalsContact CD1-CG1 3.43Å; L44-Y118 WeakPolarHBondContact CD1-O 3.4Å; L44-Y118 PolarHBondContact N-O 3.25Å; L44-L119 HydrophobicContact CB-CB 4.08Å; L44-L119 HydrophobicContact CB-CD1 4.15Å; L44-L119 HydrophobicContact CB-CG 4Å; L44-L119 HydrophobicContact CD2-CD1 4.37Å; L44-L119 WeakPolarHBondContact O-CA 3.28Å; L44-G120 PolarHBondContact O-N 2.82Å; L44-I147 HydrophobicContact CD1-CD1 4.26Å
45D97.8Very high93.4Very high25 Ų2525.5 Ų25.513%0.13416%0.159CC..EExtended strand (participates in β ladder)trans-84.198.7170.9-176.6-3.9000109.3G47 T51 S52 F54 W444D45-G47 VanDerWaalsContact C-N 3.34Å; D45-G47 PolarHBondContact O-N 2.99Å; D45-T51 CarbonylContact O-C 3.49Å; D45-T51 VanDerWaalsContact O-CA 3.24Å; D45-T51 WeakPolarHBondContact O-CA 3.3Å; D45-S52 PolarHBondContact N-O 2.85Å; D45-S52 PolarHBondContact O-N 3.49Å; D45-F54 HydrophobicContact CB-CE2 3.97Å; D45-W444 HydrophobicContact CB-CZ2 3.77Å; D45-W444 VanDerWaalsContact CG-CE2 3.49Å; D45-W444 WeakPolarHBondContact OD1-CZ2 2.83Å; D45-W444 PolarHBondContact OD1-NE1 3.08Å; D45-W444 PolarHBondContact OD2-NE1 3.5Å
46A97.7Very high94.5Very high1 Ų121.2 Ų21.21%0.00812%0.123CC..EExtended strand (participates in β ladder)trans-88.775.5177.800000110.3L44 T51 I82 L119 G120 A121 T122L44-A46 PolarHBondContact O-N 2.96Å; A46-T51 HydrophobicContact CB-CG2 4.17Å; A46-I82 HydrophobicContact CB-CD1 3.67Å; A46-I82 HydrophobicContact CB-CG1 3.94Å; A46-I82 HydrophobicContact CB-CG2 4.16Å; A46-L119 HydrophobicContact CB-CD2 3.96Å; A46-L119 HydrophobicContact CB-CG 4.21Å; A46-G120 PolarHBondContact N-O 2.94Å; A46-A121 HydrophobicContact CB-CB 3.92Å; A46-A121 WeakPolarHBondContact O-CA 3.2Å; A46-T122 PolarHBondContact O-N 2.86Å; A46-T122 VanDerWaalsContact O-N 3.16Å
47G95.1Very high95.2Very high12 Ų1222.1 Ų22.112%0.12412%0.123CC..  trans-64.9168.8175.600000113.9D45 S49 H50 G81 T122D45-G47 VanDerWaalsContact C-N 3.34Å; D45-G47 PolarHBondContact O-N 2.99Å; G47-S49 PolarHBondContact O-N 2.96Å; G47-H50 CarbonylContact C-O 3.2Å; G47-H50 VanDerWaalsContact CA-O 3.32Å; G47-H50 WeakPolarHBondContact CA-O 3.35Å; G47-H50 PolarHBondContact N-O 3.44Å; G47-G81 WeakPolarHBondContact O-CA 3.27Å; G47-T122 WeakPolarHBondContact CA-OG1 3.45Å
48S92.6Very high95.5Very high22 Ų2220.2 Ų20.215%0.15410%0.103CC..SBendtrans-69-2017864.60000114.3G204 A205S48-G204 WeakPolarHBondContact OG-CA 3.29Å; S48-A205 PolarHBondContact OG-N 3.34Å
49S89.9Confident95.4Very high48 Ų4817.8 Ų17.834%0.33610%0.097SC..SBendtrans-119.8-17.8-171.1-49.40000113.6G47 N246G47-S49 PolarHBondContact O-N 2.96Å; S49-N246 PolarHBondContact OG-ND2 3.36Å
50H93.6Very high95.1Very high86 Ų8616.6 Ų16.640%0.3989%0.092SC..  trans-163.4167.3179.362.7-84.1000108.7G47 S52 T76G47-H50 CarbonylContact C-O 3.2Å; G47-H50 VanDerWaalsContact CA-O 3.32Å; G47-H50 WeakPolarHBondContact CA-O 3.35Å; G47-H50 PolarHBondContact N-O 3.44Å; H50-S52 PolarHBondContact CD2-OG 3.4Å; H50-T76 HydrophobicContact CB-CG2 4.42Å
51T96.8Very high94.5Very high1 Ų119 Ų191%0.00611%0.106CC..EExtended strand (participates in β ladder)trans-119.9129.8169.4-55.10000109.5D45 A46 A77 I82 L96D45-T51 CarbonylContact O-C 3.49Å; D45-T51 VanDerWaalsContact O-CA 3.24Å; D45-T51 WeakPolarHBondContact O-CA 3.3Å; A46-T51 HydrophobicContact CB-CG2 4.17Å; T51-A77 WeakPolarHBondContact O-CB 3.48Å; T51-A77 PolarHBondContact O-N 2.89Å; T51-I82 WeakPolarHBondContact OG1-CG2 3.33Å; T51-L96 HydrophobicContact CG2-CD2 3.71Å
52S96.7Very high93.9Very high3 Ų320.5 Ų20.52%0.02111%0.113CC..EExtended strand (participates in β ladder)trans-119.5133.3176.2-71.90000111L44 D45 H50 C75 T76L44-S52 CarbonylContact C-O 3.49Å; L44-S52 WeakPolarHBondContact CA-O 3.42Å; D45-S52 PolarHBondContact N-O 2.85Å; D45-S52 PolarHBondContact O-N 3.49Å; H50-S52 PolarHBondContact CD2-OG 3.4Å; S52-C75 CarbonylContact C-O 3.59Å; S52-C75 WeakPolarHBondContact CA-O 3.34Å; S52-T76 PolarHBondContact OG-OG1 3.41Å
53L97.9Very high93.3Very high4 Ų422.6 Ų22.62%0.02112%0.123CC..EExtended strand (participates in β ladder)trans-98.1126.6172.8-176.1153.8000109.2I42 L44 I55 E74 C75 C99 L100 A103I42-L53 HydrophobicContact CG2-CD1 3.88Å; I42-L53 HydrophobicContact CG2-CD2 3.85Å; I42-L53 HydrophobicContact CG2-CG 3.66Å; L44-L53 HydrophobicContact CD1-CD1 4.32Å; L44-L53 HydrophobicContact CD2-CD1 4.12Å; L44-L53 HydrophobicContact CG-CB 4.24Å; L44-L53 HydrophobicContact CG-CD1 4.03Å; L44-L53 HydrophobicContact CG-CG 4.14Å; L53-I55 HydrophobicContact CD2-CD1 4.32Å; L53-I55 HydrophobicContact CD2-CG1 3.66Å; L53-E74 CarbonylContact O-C 3.51Å; L53-E74 WeakPolarHBondContact O-CA 3.45Å; L53-C75 PolarHBondContact N-O 3.38Å; L53-C75 PolarHBondContact O-N 2.94Å; L53-C99 HydrophobicContact CB-CB 3.88Å; L53-C99 HydrophobicContact CD1-CB 3.93Å; L53-C99 HydrophobicContact CG-CB 4.44Å; L53-L100 HydrophobicContact CD1-CD2 3.89Å; L53-L100 HydrophobicContact CD1-CG 4.26Å; L53-A103 HydrophobicContact CD2-CB 4.31Å
54F97.4Very high92.7Very high15 Ų1527.6 Ų27.67%0.06615%0.149CC..EExtended strand (participates in β ladder)trans-113.9130.8175.3-58.9-83.6000110.1I42 V43 D45 Y56 E74 S441 A445I42-F54 WeakPolarHBondContact CA-O 3.18Å; V43-F54 PolarHBondContact N-O 3.01Å; V43-F54 PolarHBondContact O-N 3.22Å; D45-F54 HydrophobicContact CB-CE2 3.97Å; F54-Y56 HydrophobicContact CB-CD2 4.3Å; F54-Y56 HydrophobicContact CB-CE1 4.37Å; F54-Y56 HydrophobicContact CB-CE2 3.55Å; F54-Y56 WeakPolarHBondContact CB-OH 3.31Å; F54-Y56 HydrophobicContact CG-CE2 4.43Å; F54-E74 HydrophobicContact CD1-CB 4.12Å; F54-E74 HydrophobicContact CD1-CG 3.9Å; F54-E74 HydrophobicContact CE1-CB 4.28Å; F54-E74 HydrophobicContact CE1-CG 3.63Å; F54-E74 WeakPolarHBondContact CE1-OE1 3.43Å; F54-E74 WeakPolarHBondContact CE1-OE2 3.3Å; F54-E74 HydrophobicContact CZ-CG 4.41Å; F54-S441 VanDerWaalsContact CE1-OG 3.3Å; F54-S441 WeakPolarHBondContact CE1-OG 3.43Å; F54-A445 HydrophobicContact CD2-CB 3.71Å; F54-A445 HydrophobicContact CE2-CB 4.03Å; F54-A445 HydrophobicContact CG-CB 4.42Å
55I97.3Very high92Very high1 Ų129.4 Ų29.41%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-102124.6168.9-49.4-173.7000107.9Y40 I42 L53 H72 S73 A103 E106 I107Y40-I55 HydrophobicContact CD1-CG2 4.25Å; I42-I55 HydrophobicContact CG1-CG1 4.37Å; L53-I55 HydrophobicContact CD2-CD1 4.32Å; L53-I55 HydrophobicContact CD2-CG1 3.66Å; I55-H72 HydrophobicContact CB-CB 4.34Å; I55-H72 HydrophobicContact CG2-CB 4.18Å; I55-H72 WeakPolarHBondContact O-CA 3.43Å; I55-H72 WeakPolarHBondContact O-CB 3.2Å; I55-H72 PolarHBondContact O-N 3.26Å; I55-S73 WeakPolarHBondContact CB-OG 3.43Å; I55-S73 VanDerWaalsContact CD1-OG 3.28Å; I55-S73 WeakPolarHBondContact CD1-OG 3.36Å; I55-S73 WeakPolarHBondContact CG1-OG 3.41Å; I55-S73 PolarHBondContact N-O 3.01Å; I55-S73 PolarHBondContact O-N 3.47Å; I55-A103 HydrophobicContact CD1-CB 3.59Å; I55-A103 HydrophobicContact CG1-CB 4.35Å; I55-E106 HydrophobicContact CD1-CB 4.16Å; I55-E106 VanDerWaalsContact CD1-OE2 3.24Å; I55-E106 WeakPolarHBondContact CD1-OE2 3.31Å; I55-I107 HydrophobicContact CD1-CD1 4.29Å; I55-I107 HydrophobicContact CD1-CG1 4.21Å; I55-I107 HydrophobicContact CG2-CD1 3.73Å; I55-I107 HydrophobicContact CG2-CG1 3.93Å
56Y95.6Very high91.6Very high3 Ų328.2 Ų28.21%0.01216%0.162CC..EExtended strand (participates in β ladder)trans-111149.8175.9-64.8-65.8000110.6Y40 G41 V43 F54 V69 T70 Q71 A445 L446 M449Y40-Y56 CarbonylContact C-O 3.53Å; Y40-Y56 WeakPolarHBondContact CA-O 3.45Å; G41-Y56 PolarHBondContact N-O 3.26Å; G41-Y56 PolarHBondContact O-N 3.49Å; V43-Y56 HydrophobicContact CB-CE2 4.29Å; V43-Y56 HydrophobicContact CG2-CD2 4.26Å; V43-Y56 HydrophobicContact CG2-CE2 4.07Å; F54-Y56 HydrophobicContact CB-CD2 4.3Å; F54-Y56 HydrophobicContact CB-CE1 4.37Å; F54-Y56 HydrophobicContact CB-CE2 3.55Å; F54-Y56 WeakPolarHBondContact CB-OH 3.31Å; F54-Y56 HydrophobicContact CG-CE2 4.43Å; Y56-V69 HydrophobicContact CD1-CG1 3.89Å; Y56-V69 HydrophobicContact CG-CG1 3.91Å; Y56-T70 WeakPolarHBondContact CA-O 3.28Å; Y56-Q71 HydrophobicContact CD1-CB 4.15Å; Y56-Q71 HydrophobicContact CE1-CB 3.95Å; Y56-Q71 HydrophobicContact CE1-CG 4.23Å; Y56-A445 HydrophobicContact CE2-CB 4.45Å; Y56-L446 HydrophobicContact CD1-CD1 3.76Å; Y56-L446 HydrophobicContact CE1-CB 3.96Å; Y56-L446 HydrophobicContact CE1-CD1 3.62Å; Y56-L446 HydrophobicContact CE1-CG 4.3Å; Y56-L446 HydrophobicContact CG-CD1 4.48Å; Y56-L446 PolarHBondContact OH-N 2.77Å; Y56-M449 HydrophobicContact CD2-CB 3.78Å; Y56-M449 HydrophobicContact CD2-CE 4.31Å; Y56-M449 HydrophobicContact CD2-CG 3.75Å; Y56-M449 HydrophobicContact CE2-CB 4.15Å; Y56-M449 HydrophobicContact CG-CB 4.37Å; Y56-M449 HydrophobicContact CG-CG 4.03Å
57K93.9Very high91.3Very high55 Ų5528.2 Ų28.224%0.23916%0.162CC..EExtended strand (participates in β ladder)trans-137.4147.5171.170.9-177.3179.1-174.70111.9F38 K39 Y40 T70 H72F38-K57 HydrophobicContact CD1-CB 4.5Å; F38-K57 HydrophobicContact CD1-CD 4.46Å; F38-K57 HydrophobicContact CD1-CG 4.45Å; K39-K57 WeakPolarHBondContact O-CA 3.4Å; Y40-K57 HydrophobicContact CD1-CB 3.85Å; Y40-K57 HydrophobicContact CE1-CB 3.89Å; Y40-K57 HydrophobicContact CE1-CD 4.34Å; Y40-K57 HydrophobicContact CG-CB 4.45Å; K57-T70 WeakPolarHBondContact CG-OG1 3.35Å; K57-T70 PolarHBondContact N-O 3.27Å; K57-T70 PolarHBondContact O-N 3.47Å; K57-T70 PolarHBondContact O-OG1 2.88Å; K57-H72 HydrophobicContact CD-CB 4.13Å; K57-H72 HydrophobicContact CG-CB 4.2Å
58W92Very high91.1Very high1 Ų128.9 Ų28.90%0.00416%0.164CC..EExtended strand (participates in β ladder)trans-146.2152.3174.257.8105.4000110.8F38 K39 Y40 V68 V69 M449 L456F38-W58 WeakPolarHBondContact CA-O 3.35Å; K39-W58 HydrophobicContact CB-CD2 4.18Å; K39-W58 HydrophobicContact CB-CH2 4.43Å; K39-W58 HydrophobicContact CB-CZ2 3.74Å; K39-W58 HydrophobicContact CD-CZ2 4.49Å; K39-W58 PolarHBondContact N-O 2.96Å; K39-W58 PolarHBondContact O-N 2.9Å; Y40-W58 WeakPolarHBondContact O-CH2 3.33Å; W58-V68 WeakPolarHBondContact CB-O 3.43Å; W58-V69 HydrophobicContact CB-CG2 4.18Å; W58-V69 HydrophobicContact CD2-CG2 4.15Å; W58-V69 HydrophobicContact CE3-CG1 4.23Å; W58-V69 HydrophobicContact CE3-CG2 3.98Å; W58-V69 HydrophobicContact CG-CG2 4.24Å; W58-M449 HydrophobicContact CH2-SD 3.72Å; W58-M449 HydrophobicContact CZ3-CG 4.09Å; W58-M449 HydrophobicContact CZ3-SD 3.71Å; W58-L456 HydrophobicContact CH2-CD1 4.24Å; W58-L456 HydrophobicContact CZ2-CD1 3.7Å
59P89.8Confident91Very high42 Ų4228 Ų2827%0.27316%0.157SC..EExtended strand (participates in β ladder)trans-49.6140.8164.6-28.138.5000110.9P36 F38 D61P36-P59 HydrophobicContact CG-CB 3.98Å; F38-P59 HydrophobicContact CE1-CG 4.24Å; P59-D61 CarbonylContact C-O 3.53Å; P59-D61 WeakPolarHBondContact CB-OD1 3.28Å; P59-D61 PolarHBondContact O-N 3.45Å
60A85.6Confident91.1Very high2 Ų228.8 Ų28.82%0.01716%0.16CC..SBendtrans-73-18.5-173.800000113.7G37 K39 E459G37-A60 WeakPolarHBondContact O-CB 3.35Å; G37-A60 PolarHBondContact O-N 3.45Å; K39-A60 HydrophobicContact CD-CB 4.36Å; K39-A60 HydrophobicContact CG-CB 3.87Å; A60-E459 HydrophobicContact CB-CB 3.96Å; A60-E459 PolarHBondContact O-N 3.38Å
61D83.1Confident91.1Very high75 Ų7526.5 Ų26.540%0.40115%0.15SC..SBendtrans-73.1163163.267.6-27.8000110.3P36 P59P36-D61 HydrophobicContact CB-CB 4.13Å; P36-D61 HydrophobicContact CG-CB 4.3Å; P36-D61 VanDerWaalsContact CG-CG 3.49Å; P36-D61 WeakPolarHBondContact CG-OD1 3.45Å; P59-D61 CarbonylContact C-O 3.53Å; P59-D61 WeakPolarHBondContact CB-OD1 3.28Å; P59-D61 PolarHBondContact O-N 3.45Å
62K85.1Confident90.9Very high32 Ų3229.7 Ų29.714%0.13917%0.165CC..  trans-134.8148.2-173.7-62.7-170.5-171179.20110.9G65 S453 L456 A458K62-G65 WeakPolarHBondContact CD-O 3.13Å; K62-S453 WeakPolarHBondContact CE-O 3.11Å; K62-S453 PolarHBondContact NZ-O 2.92Å; K62-L456 PolarHBondContact NZ-O 3.48Å; K62-A458 HydrophobicContact CB-CB 4.34Å; K62-A458 HydrophobicContact CD-CB 4.07Å; K62-A458 HydrophobicContact CG-CB 3.97Å
63Q85.4Confident90.7Very high44 Ų4430.5 Ų30.521%0.20617%0.17CC..BIsolated β-bridgetrans-92.5112172.8-174.658.521.300109.4G65 T66 V68 W189 Y229Q63-G65 PolarHBondContact O-N 2.95Å; Q63-G65 VanDerWaalsContact O-N 3.15Å; Q63-T66 PolarHBondContact N-O 3.29Å; Q63-T66 PolarHBondContact O-N 2.87Å; Q63-V68 HydrophobicContact CB-CG2 4.22Å; Q63-W189 HydrophobicContact CG-CB 3.83Å; Q63-W189 HydrophobicContact CG-CG 4.07Å; Q63-Y229 HydrophobicContact CB-CD1 4.03Å; Q63-Y229 HydrophobicContact CB-CE1 4.24Å; Q63-Y229 HydrophobicContact CG-CD1 4.12Å; Q63-Y229 WeakPolarHBondContact O-CD1 3.24Å
64N84.4Confident90.6Very high105 Ų10534 Ų3456%0.56119%0.186SC*.THydrogen-bonded Turntrans49.840-179.9-63.6-16.4000113.4T66 Y229N64-T66 VanDerWaalsContact C-N 3.33Å; N64-T66 PolarHBondContact O-N 2.95Å; N64-Y229 WeakPolarHBondContact CB-O 3.42Å; N64-Y229 PolarHBondContact ND2-O 3.36Å
65G84.8Confident90.6Very high40 Ų4034 Ų3441%0.41219%0.188SC..THydrogen-bonded Turntrans87.8-14.3-17900000115.3K62 Q63 N454K62-G65 WeakPolarHBondContact CD-O 3.13Å; Q63-G65 PolarHBondContact O-N 2.95Å; Q63-G65 VanDerWaalsContact O-N 3.15Å; G65-N454 WeakPolarHBondContact O-CA 3.46Å; G65-N454 PolarHBondContact O-OD1 3.38Å
66T89.6Confident90.5Very high1 Ų137.7 Ų37.71%0.00621%0.211CC..BIsolated β-bridgetrans-104.5138.4-179-45.30000112Q63 N64 L228 Y229 L450 N454Q63-T66 PolarHBondContact N-O 3.29Å; Q63-T66 PolarHBondContact O-N 2.87Å; N64-T66 VanDerWaalsContact C-N 3.33Å; N64-T66 PolarHBondContact O-N 2.95Å; T66-L228 HydrophobicContact CG2-CD2 4.22Å; T66-Y229 VanDerWaalsContact CB-CE1 3.45Å; T66-Y229 HydrophobicContact CG2-CD1 4.14Å; T66-Y229 HydrophobicContact CG2-CD2 4.31Å; T66-Y229 HydrophobicContact CG2-CE1 3.64Å; T66-Y229 HydrophobicContact CG2-CE2 3.86Å; T66-Y229 HydrophobicContact CG2-CG 4.44Å; T66-Y229 VanDerWaalsContact CG2-CZ 3.48Å; T66-Y229 PolarHBondContact OG1-N 3.37Å; T66-L450 HydrophobicContact CG2-CD2 4.4Å; T66-N454 WeakPolarHBondContact CA-OD1 3.14Å; T66-N454 WeakPolarHBondContact CB-OD1 3.32Å; T66-N454 VanDerWaalsContact CG2-OD1 3.31Å; T66-N454 WeakPolarHBondContact CG2-OD1 3.38Å; T66-N454 PolarHBondContact N-OD1 3.16Å; T66-N454 PolarHBondContact OG1-OD1 3.49Å
67G90Very high90.5Very high0 Ų038 Ų380%021%0.213CC..  trans-69.3150.3174.600000112.5V69 Y229 L450 S453G67-V69 PolarHBondContact O-N 2.9Å; G67-Y229 PolarHBondContact O-OH 2.88Å; G67-L450 WeakPolarHBondContact O-CD2 3.34Å; G67-S453 PolarHBondContact N-OG 3.05Å
68V91.3Very high90.3Very high27 Ų2741.1 Ų41.116%0.16423%0.233CC..  trans-94.988167.9-175.20000107.6W58 Q63 Y175 I181 W189W58-V68 WeakPolarHBondContact CB-O 3.43Å; Q63-V68 HydrophobicContact CB-CG2 4.22Å; V68-Y175 VanDerWaalsContact C-OH 3.32Å; V68-Y175 WeakPolarHBondContact CG1-OH 3.42Å; V68-I181 HydrophobicContact CG2-CD1 3.83Å; V68-W189 HydrophobicContact CG1-CH2 3.95Å; V68-W189 HydrophobicContact CG1-CZ2 4Å; V68-W189 HydrophobicContact CG2-CZ2 4.14Å
69V91.7Very high90.2Very high2 Ų243.8 Ų43.81%0.01226%0.261CS..  trans-83.7137.8-168.7-175.90000112.5Y56 W58 G67 Y175 L446 M449 L450Y56-V69 HydrophobicContact CD1-CG1 3.89Å; Y56-V69 HydrophobicContact CG-CG1 3.91Å; W58-V69 HydrophobicContact CB-CG2 4.18Å; W58-V69 HydrophobicContact CD2-CG2 4.15Å; W58-V69 HydrophobicContact CE3-CG1 4.23Å; W58-V69 HydrophobicContact CE3-CG2 3.98Å; W58-V69 HydrophobicContact CG-CG2 4.24Å; G67-V69 PolarHBondContact O-N 2.9Å; V69-Y175 PolarHBondContact N-OH 3.3Å; V69-Y175 WeakPolarHBondContact O-CE1 3.5Å; V69-Y175 VanDerWaalsContact O-CZ 3.23Å; V69-Y175 PolarHBondContact O-OH 3Å; V69-L446 HydrophobicContact CB-CD1 3.98Å; V69-L446 HydrophobicContact CG1-CD1 3.55Å; V69-M449 HydrophobicContact CG1-CG 4.17Å; V69-L450 HydrophobicContact CB-CD2 3.81Å; V69-L450 HydrophobicContact CB-CG 4.28Å; V69-L450 HydrophobicContact CG2-CD2 3.59Å; V69-L450 HydrophobicContact CG2-CG 4.19Å
70T91.3Very high90.3Very high66 Ų6642.3 Ų42.341%0.40525%0.254SS..EExtended strand (participates in β ladder)trans-125.9140.4173.855.10000109.5Y56 K57 H72Y56-T70 WeakPolarHBondContact CA-O 3.28Å; K57-T70 WeakPolarHBondContact CG-OG1 3.35Å; K57-T70 PolarHBondContact N-O 3.27Å; K57-T70 PolarHBondContact O-N 3.47Å; K57-T70 PolarHBondContact O-OG1 2.88Å; T70-H72 PolarHBondContact O-N 3.38Å
71Q92.6Very high90.8Very high37 Ų3742.2 Ų42.217%0.17325%0.253CS..EExtended strand (participates in β ladder)trans-67.9124.6169.1-175.5166.8-46.600108.6Y56 E74 T440 S441Y56-Q71 HydrophobicContact CD1-CB 4.15Å; Y56-Q71 HydrophobicContact CE1-CB 3.95Å; Y56-Q71 HydrophobicContact CE1-CG 4.23Å; Q71-E74 PolarHBondContact NE2-OE2 3.49Å; Q71-T440 HydrophobicContact CB-CG2 3.97Å; Q71-S441 PolarHBondContact OE1-OG 3.32Å
72H92.9Very high91.5Very high69 Ų6938.7 Ų38.732%0.31923%0.234SC..EExtended strand (participates in β ladder)trans-90.3-42.8177-173.324.3000111.3Y40 I55 K57 T70Y40-H72 AromaticContact CE1-CD2 3.88Å; I55-H72 HydrophobicContact CB-CB 4.34Å; I55-H72 HydrophobicContact CG2-CB 4.18Å; I55-H72 WeakPolarHBondContact O-CA 3.43Å; I55-H72 WeakPolarHBondContact O-CB 3.2Å; I55-H72 PolarHBondContact O-N 3.26Å; K57-H72 HydrophobicContact CD-CB 4.13Å; K57-H72 HydrophobicContact CG-CB 4.2Å; T70-H72 PolarHBondContact O-N 3.38Å
73S93.9Very high92Very high20 Ų2038.2 Ų38.214%0.1424%0.235CC..EExtended strand (participates in β ladder)trans-165.3168.1-178.258.70000111I55 E106I55-S73 WeakPolarHBondContact CB-OG 3.43Å; I55-S73 VanDerWaalsContact CD1-OG 3.28Å; I55-S73 WeakPolarHBondContact CD1-OG 3.36Å; I55-S73 WeakPolarHBondContact CG1-OG 3.41Å; I55-S73 PolarHBondContact N-O 3.01Å; I55-S73 PolarHBondContact O-N 3.47Å; S73-E106 WeakPolarHBondContact CB-OE2 3.28Å; S73-E106 PolarHBondContact OG-OE2 2.78Å
74E95.3Very high92.4Very high77 Ų7741.1 Ų41.136%0.3625%0.248SC..EExtended strand (participates in β ladder)trans-142.5146.8-179.7175.6175.3176.300109.6L53 F54 Q71 S441L53-E74 CarbonylContact O-C 3.51Å; L53-E74 WeakPolarHBondContact O-CA 3.45Å; F54-E74 HydrophobicContact CD1-CB 4.12Å; F54-E74 HydrophobicContact CD1-CG 3.9Å; F54-E74 HydrophobicContact CE1-CB 4.28Å; F54-E74 HydrophobicContact CE1-CG 3.63Å; F54-E74 WeakPolarHBondContact CE1-OE1 3.43Å; F54-E74 WeakPolarHBondContact CE1-OE2 3.3Å; F54-E74 HydrophobicContact CZ-CG 4.41Å; Q71-E74 PolarHBondContact NE2-OE2 3.49Å; E74-S441 PolarHBondContact OE2-OG 2.74Å
75C96.6Very high93Very high15 Ų1537 Ų3710%0.10123%0.225CC..EExtended strand (participates in β ladder)trans-141.6128.3172.3176.40000109.7S52 L53 C99 Q102S52-C75 CarbonylContact C-O 3.59Å; S52-C75 WeakPolarHBondContact CA-O 3.34Å; L53-C75 PolarHBondContact N-O 3.38Å; L53-C75 PolarHBondContact O-N 2.94Å; C75-C99 VanDerWaalsContact C-SG 3.54Å; C75-C99 HydrophobicContact CB-CB 3.65Å; C75-C99 WeakPolarHBondContact CB-SG 3.33Å; C75-C99 PolarHBondContact O-SG 2.86Å; C75-C99 WeakPolarHBondContact SG-CA 3.42Å; C75-C99 WeakPolarHBondContact SG-CB 3.4Å; C75-C99 CovalentContact SG-SG 2.04Å; C75-C99 PolarHBondContact SG-SG 2.79Å; C75-Q102 PolarHBondContact SG-OE1 2.88Å; C75-Q102 VanDerWaalsContact SG-OE1 3.41Å
76T96.3Very high93.5Very high79 Ų7936.8 Ų36.849%0.48522%0.219SC..EExtended strand (participates in β ladder)trans-93.1123.6171.4-55.20000108.8H50 S52H50-T76 HydrophobicContact CB-CG2 4.42Å; S52-T76 PolarHBondContact OG-OG1 3.41Å
77A95.1Very high93.6Very high8 Ų839.2 Ų39.27%0.06625%0.245CC..PPolyproline II helixtrans-68.3142.8176.500000110.6T51 S95 L96T51-A77 WeakPolarHBondContact O-CB 3.48Å; T51-A77 PolarHBondContact O-N 2.89Å; A77-S95 WeakPolarHBondContact CB-O 3.47Å; A77-L96 HydrophobicContact CB-CD2 4.41Å
78D89.3Confident93.9Very high121 Ų12143.6 Ų43.665%0.64726%0.261SS*.SBendtrans-66.3140.1175.9-81.6-15.8000111.6Y85D78-Y85 PolarHBondContact O-OH 3.36Å
79G90.9Very high94Very high58 Ų5847.7 Ų47.760%0.59829%0.286SS*.SBendtrans98.5-157.2-179.500000113.5
80G91.9Very high94.2Very high11 Ų1149 Ų4911%0.11330%0.3CS..SBendtrans-96.6-164.2-175.500000113.6
81G94.9Very high94.4Very high0 Ų049.6 Ų49.60%030%0.298CS..  trans-65.8151.7170.300000111.4G47 S83 E84G47-G81 WeakPolarHBondContact O-CA 3.27Å; G81-S83 PolarHBondContact O-N 3.32Å; G81-E84 WeakPolarHBondContact O-CB 3.36Å; G81-E84 PolarHBondContact O-N 2.83Å
82I97.6Very high94.6Very high1 Ų147.8 Ų47.81%0.00529%0.29CS..G310 helixtrans-58.8-25.6-176.766.8176.8000113.3A46 T51 E84 Y85 L119 A121 M125 I139A46-I82 HydrophobicContact CB-CD1 3.67Å; A46-I82 HydrophobicContact CB-CG1 3.94Å; A46-I82 HydrophobicContact CB-CG2 4.16Å; T51-I82 WeakPolarHBondContact OG1-CG2 3.33Å; I82-E84 PolarHBondContact O-N 3.32Å; I82-Y85 WeakPolarHBondContact O-CD2 3.42Å; I82-Y85 PolarHBondContact O-N 3.28Å; I82-L119 HydrophobicContact CD1-CD2 4.01Å; I82-A121 HydrophobicContact CD1-CB 3.99Å; I82-M125 HydrophobicContact CD1-CE 4.42Å; I82-M125 HydrophobicContact CD1-CG 3.9Å; I82-M125 HydrophobicContact CD1-SD 4.23Å; I82-M125 HydrophobicContact CG1-CG 3.7Å; I82-M125 HydrophobicContact CG1-SD 3.86Å; I82-I139 HydrophobicContact CB-CG2 4.08Å; I82-I139 HydrophobicContact CD1-CG2 4.07Å; I82-I139 HydrophobicContact CG1-CG2 4.16Å
83S96.4Very high94.8Very high22 Ų2245 Ų4515%0.15428%0.278CS..G310 helixtrans-65-21.8175.7550000113.9G81 Y85 A86G81-S83 PolarHBondContact O-N 3.32Å; S83-Y85 PolarHBondContact O-N 2.86Å; S83-A86 WeakPolarHBondContact O-CB 3.24Å; S83-A86 PolarHBondContact O-N 3.47Å
84E94.5Very high95Very high105 Ų10550.2 Ų50.249%0.49130%0.3SS..G310 helixtrans-71.2-18178.2-64.2-176.4-161.600112.5G81 I82 A86 R88G81-E84 WeakPolarHBondContact O-CB 3.36Å; G81-E84 PolarHBondContact O-N 2.83Å; I82-E84 PolarHBondContact O-N 3.32Å; E84-A86 PolarHBondContact O-N 2.87Å; E84-R88 VanDerWaalsContact C-NH2 3.26Å; E84-R88 PolarHBondContact O-NE 3.42Å; E84-R88 PolarHBondContact O-NH2 2.91Å
85Y96.3Very high95Very high18 Ų1847.3 Ų47.37%0.07129%0.289CS..G310 helixtrans-84.412.3176.3-56.3-83.6000112.9D78 I82 S83 G87 R88 E91 A92D78-Y85 PolarHBondContact O-OH 3.36Å; I82-Y85 WeakPolarHBondContact O-CD2 3.42Å; I82-Y85 PolarHBondContact O-N 3.28Å; S83-Y85 PolarHBondContact O-N 2.86Å; Y85-G87 PolarHBondContact O-N 3.4Å; Y85-G87 VanDerWaalsContact O-N 3.16Å; Y85-R88 VanDerWaalsContact CD1-NH2 3.32Å; Y85-R88 WeakPolarHBondContact O-CA 3.18Å; Y85-R88 WeakPolarHBondContact O-CB 3.28Å; Y85-R88 PolarHBondContact O-N 2.83Å; Y85-E91 HydrophobicContact CD1-CB 3.42Å; Y85-E91 VanDerWaalsContact CD1-CB 3.42Å; Y85-E91 HydrophobicContact CE1-CB 3.92Å; Y85-E91 HydrophobicContact CG-CB 4.28Å; Y85-A92 HydrophobicContact CD2-CB 3.87Å; Y85-A92 HydrophobicContact CG-CB 3.99Å
86A94.4Very high95.1Very high35 Ų3546.7 Ų46.729%0.28928%0.284SS..THydrogen-bonded Turntrans-51121.5171.300000111.4S83 E84 R88 L128S83-A86 WeakPolarHBondContact O-CB 3.24Å; S83-A86 PolarHBondContact O-N 3.47Å; E84-A86 PolarHBondContact O-N 2.87Å; A86-R88 VanDerWaalsContact C-N 3.32Å; A86-L128 HydrophobicContact CB-CD1 3.81Å; A86-L128 HydrophobicContact CB-CD2 4.09Å
87G93Very high95.1Very high53 Ų5348.5 Ų48.555%0.54628%0.282SS..THydrogen-bonded Turntrans81.40.2-176.300000115.7Y85Y85-G87 PolarHBondContact O-N 3.4Å; Y85-G87 VanDerWaalsContact O-N 3.16Å
88R95.3Very high95.3Very high92 Ų9254.4 Ų54.435%0.34731%0.309SS..  trans-112.885.9178.2-63.1-174.4-72.5153.3-8.3110.6E84 Y85 A86 G90 E91E84-R88 VanDerWaalsContact C-NH2 3.26Å; E84-R88 PolarHBondContact O-NE 3.42Å; E84-R88 PolarHBondContact O-NH2 2.91Å; Y85-R88 VanDerWaalsContact CD1-NH2 3.32Å; Y85-R88 WeakPolarHBondContact O-CA 3.18Å; Y85-R88 WeakPolarHBondContact O-CB 3.28Å; Y85-R88 PolarHBondContact O-N 2.83Å; A86-R88 VanDerWaalsContact C-N 3.32Å; R88-G90 PolarHBondContact O-N 3.37Å; R88-E91 HydrophobicContact CB-CB 4.23Å; R88-E91 HydrophobicContact CB-CG 4.15Å; R88-E91 WeakPolarHBondContact CD-OE2 3.46Å; R88-E91 IonicContact CZ-OE2 2.84Å; R88-E91 IonicContact NE-OE2 3.9Å; R88-E91 IonicContact NH1-OE2 3.29Å; R88-E91 PolarHBondContact NH1-OE2 3.33Å; R88-E91 PolarHBondContact O-N 2.88Å
89V94.3Very high95.7Very high113 Ų11348.7 Ų48.769%0.68528%0.278SS*.THydrogen-bonded Turntrans-56.3124.7-174.7-174.50000111E91 E142V89-E91 VanDerWaalsContact C-N 3.27Å; V89-E91 PolarHBondContact O-N 2.94Å; V89-E142 WeakPolarHBondContact CG1-OE1 3.49Å
90G94.9Very high96Very high30 Ų3046 Ų4631%0.30925%0.25SC..THydrogen-bonded Turntrans82.5-15.1172.900000115.7R88 A92 A93 Q94 E142R88-G90 PolarHBondContact O-N 3.37Å; G90-A92 PolarHBondContact O-N 3.07Å; G90-A93 PolarHBondContact O-N 3.01Å; G90-Q94 PolarHBondContact O-N 3.48Å; G90-E142 WeakPolarHBondContact CA-OE2 3.4Å; G90-E142 VanDerWaalsContact N-CD 3.31Å; G90-E142 PolarHBondContact N-OE1 2.87Å; G90-E142 PolarHBondContact N-OE2 3.14Å
91E97.1Very high96.4Very high77 Ų7748.9 Ų48.936%0.3626%0.263SS..Hα-helixtrans-69.1-34.1-178.5-70.7-173.2-149.900112.5Y85 R88 V89 A93 Q94 S95Y85-E91 HydrophobicContact CD1-CB 3.42Å; Y85-E91 VanDerWaalsContact CD1-CB 3.42Å; Y85-E91 HydrophobicContact CE1-CB 3.92Å; Y85-E91 HydrophobicContact CG-CB 4.28Å; R88-E91 HydrophobicContact CB-CB 4.23Å; R88-E91 HydrophobicContact CB-CG 4.15Å; R88-E91 WeakPolarHBondContact CD-OE2 3.46Å; R88-E91 IonicContact CZ-OE2 2.84Å; R88-E91 IonicContact NE-OE2 3.9Å; R88-E91 IonicContact NH1-OE2 3.29Å; R88-E91 PolarHBondContact NH1-OE2 3.33Å; R88-E91 PolarHBondContact O-N 2.88Å; V89-E91 VanDerWaalsContact C-N 3.27Å; V89-E91 PolarHBondContact O-N 2.94Å; E91-A93 VanDerWaalsContact C-N 3.32Å; E91-A93 PolarHBondContact O-N 3.33Å; E91-Q94 PolarHBondContact O-N 3.47Å; E91-S95 PolarHBondContact O-N 3.33Å
92A96.6Very high96.5Very high0 Ų051.8 Ų51.80%028%0.276CS..Hα-helixtrans-64.2-37174.600000112.4Y85 G90 S95 L96 I139 V143Y85-A92 HydrophobicContact CD2-CB 3.87Å; Y85-A92 HydrophobicContact CG-CB 3.99Å; G90-A92 PolarHBondContact O-N 3.07Å; A92-S95 PolarHBondContact O-OG 3.48Å; A92-L96 WeakPolarHBondContact O-CG 3.25Å; A92-I139 HydrophobicContact CB-CG2 3.95Å; A92-V143 HydrophobicContact CB-CG1 3.99Å
93A96.5Very high96.5Very high9 Ų951.7 Ų51.77%0.07428%0.276CS..Hα-helixtrans-68.6-45174.100000111G90 E91 S95 L96 E142 E146G90-A93 PolarHBondContact O-N 3.01Å; E91-A93 VanDerWaalsContact C-N 3.32Å; E91-A93 PolarHBondContact O-N 3.33Å; A93-S95 VanDerWaalsContact C-N 3.29Å; A93-S95 PolarHBondContact O-N 2.87Å; A93-L96 PolarHBondContact O-N 2.76Å; A93-E142 HydrophobicContact CB-CB 4.36Å; A93-E146 HydrophobicContact CB-CB 3.77Å; A93-E146 HydrophobicContact CB-CG 4.21Å
94Q97Very high96.6Very high130 Ų13052.8 Ų52.861%0.60728%0.282SS*.Hα-helixtrans-60.3-37.1-179-174.3174.44.800112.7G90 E91 L96 R97G90-Q94 PolarHBondContact O-N 3.48Å; E91-Q94 PolarHBondContact O-N 3.47Å; Q94-L96 PolarHBondContact O-N 3Å; Q94-R97 WeakPolarHBondContact O-CB 3.07Å; Q94-R97 PolarHBondContact O-N 3.41Å
95S97.2Very high96.8Very high17 Ų1756.3 Ų56.312%0.11930%0.295CS..Hα-helixtrans-62.9-26.9179.968.60000113.4A77 E91 A92 A93A77-S95 WeakPolarHBondContact CB-O 3.47Å; E91-S95 PolarHBondContact O-N 3.33Å; A92-S95 PolarHBondContact O-OG 3.48Å; A93-S95 VanDerWaalsContact C-N 3.29Å; A93-S95 PolarHBondContact O-N 2.87Å
96L97.7Very high96.8Very high1 Ų158.5 Ų58.51%0.00531%0.306CS..Hα-helixtrans-81.8-17.8-178.8-52.1-177.3000113.6L44 T51 A77 A92 A93 Q94 E98 C99 L100 L119 V143L44-L96 HydrophobicContact CD2-CB 4.44Å; L44-L96 HydrophobicContact CD2-CD1 4.04Å; L44-L96 HydrophobicContact CD2-CD2 4.11Å; L44-L96 HydrophobicContact CD2-CG 4.42Å; T51-L96 HydrophobicContact CG2-CD2 3.71Å; A77-L96 HydrophobicContact CB-CD2 4.41Å; A92-L96 WeakPolarHBondContact O-CG 3.25Å; A93-L96 PolarHBondContact O-N 2.76Å; Q94-L96 PolarHBondContact O-N 3Å; L96-E98 VanDerWaalsContact C-N 3.33Å; L96-E98 PolarHBondContact O-N 3.35Å; L96-C99 PolarHBondContact O-N 2.87Å; L96-L100 HydrophobicContact CB-CD1 3.94Å; L96-L100 WeakPolarHBondContact O-CG 3.12Å; L96-L100 PolarHBondContact O-N 3.48Å; L96-L119 HydrophobicContact CD1-CD1 3.8Å; L96-V143 HydrophobicContact CD1-CB 3.76Å; L96-V143 HydrophobicContact CD1-CG1 3.8Å
97R97.2Very high97Very high117 Ų11757 Ų5744%0.44229%0.294SS..Hα-helixtrans-61.9-37.2-167.3-176.8168.4-70.9172.22.6113Q94 N101 E146 F150Q94-R97 WeakPolarHBondContact O-CB 3.07Å; Q94-R97 PolarHBondContact O-N 3.41Å; R97-N101 WeakPolarHBondContact CG-ND2 3.43Å; R97-N101 WeakPolarHBondContact O-CB 3.42Å; R97-N101 PolarHBondContact O-N 2.9Å; R97-N101 PolarHBondContact O-ND2 3.49Å; R97-E146 IonicContact CZ-OE1 3.18Å; R97-E146 VanDerWaalsContact CZ-OE1 3.27Å; R97-E146 IonicContact CZ-OE2 2.71Å; R97-E146 IonicContact NE-OE1 3.47Å; R97-E146 PolarHBondContact NE-OE1 3.2Å; R97-E146 VanDerWaalsContact NH2-CD 3.29Å; R97-E146 IonicContact NH2-OE1 2.77Å; R97-E146 PolarHBondContact NH2-OE1 2.79Å; R97-E146 IonicContact NH2-OE2 3.89Å; R97-E146 PolarHBondContact NH2-OE2 2.84Å; R97-F150 HydrophobicContact CG-CZ 4.24Å
98E97.8Very high97.1Very high132 Ų13256.5 Ų56.562%0.61728%0.28SS*.Hα-helixtrans-65-51.1179.5-177165-179.800111.7L96 L100 N101 Q102L96-E98 VanDerWaalsContact C-N 3.33Å; L96-E98 PolarHBondContact O-N 3.35Å; E98-L100 VanDerWaalsContact C-N 3.34Å; E98-L100 PolarHBondContact O-N 3.18Å; E98-N101 WeakPolarHBondContact O-CB 3.07Å; E98-N101 PolarHBondContact O-N 3.21Å; E98-Q102 PolarHBondContact O-N 3.24Å
99C98.3Very high97.2Very high2 Ų260.2 Ų60.21%0.01430%0.299CS..Hα-helixtrans-64.1-37.7178.2-67.10000112.7L53 C75 L96 Q102 A103L53-C99 HydrophobicContact CB-CB 3.88Å; L53-C99 HydrophobicContact CD1-CB 3.93Å; L53-C99 HydrophobicContact CG-CB 4.44Å; C75-C99 VanDerWaalsContact C-SG 3.54Å; C75-C99 HydrophobicContact CB-CB 3.65Å; C75-C99 WeakPolarHBondContact CB-SG 3.33Å; C75-C99 PolarHBondContact O-SG 2.86Å; C75-C99 WeakPolarHBondContact SG-CA 3.42Å; C75-C99 WeakPolarHBondContact SG-CB 3.4Å; C75-C99 CovalentContact SG-SG 2.04Å; C75-C99 PolarHBondContact SG-SG 2.79Å; L96-C99 PolarHBondContact O-N 2.87Å; C99-Q102 WeakPolarHBondContact O-CB 3.41Å; C99-Q102 PolarHBondContact O-N 2.87Å; C99-A103 PolarHBondContact O-N 2.83Å
100L98.4Very high97.3Very high0 Ų061.2 Ų61.20%030%0.296CS..Hα-helixtrans-65.5-38.5175.2-71.5167.5000111.7L53 L96 E98 A103 V104 E146 I147 F150L53-L100 HydrophobicContact CD1-CD2 3.89Å; L53-L100 HydrophobicContact CD1-CG 4.26Å; L96-L100 HydrophobicContact CB-CD1 3.94Å; L96-L100 WeakPolarHBondContact O-CG 3.12Å; L96-L100 PolarHBondContact O-N 3.48Å; E98-L100 VanDerWaalsContact C-N 3.34Å; E98-L100 PolarHBondContact O-N 3.18Å; L100-A103 WeakPolarHBondContact O-CB 3.24Å; L100-A103 PolarHBondContact O-N 2.89Å; L100-V104 WeakPolarHBondContact O-CG2 3.31Å; L100-V104 PolarHBondContact O-N 2.73Å; L100-V104 VanDerWaalsContact O-N 3.13Å; L100-E146 HydrophobicContact CD1-CG 4.2Å; L100-I147 HydrophobicContact CD1-CG1 4.16Å; L100-F150 HydrophobicContact CB-CD1 3.82Å; L100-F150 HydrophobicContact CB-CD2 3.94Å; L100-F150 HydrophobicContact CB-CE1 3.5Å; L100-F150 HydrophobicContact CB-CE2 3.64Å; L100-F150 HydrophobicContact CB-CG 4.03Å; L100-F150 HydrophobicContact CB-CZ 3.4Å; L100-F150 HydrophobicContact CD1-CD2 3.76Å; L100-F150 HydrophobicContact CD1-CE2 3.59Å; L100-F150 HydrophobicContact CD1-CZ 4.22Å; L100-F150 HydrophobicContact CG-CD2 4.33Å; L100-F150 HydrophobicContact CG-CE2 4.23Å; L100-F150 HydrophobicContact CG-CZ 4.44Å
101N98.3Very high97.3Very high72 Ų7262.3 Ų62.339%0.38529%0.293SS..Hα-helixtrans-65.6-36.9173.2-81.2-51.4000112.6R97 E98 A103 V104 K105 F150R97-N101 WeakPolarHBondContact CG-ND2 3.43Å; R97-N101 WeakPolarHBondContact O-CB 3.42Å; R97-N101 PolarHBondContact O-N 2.9Å; R97-N101 PolarHBondContact O-ND2 3.49Å; E98-N101 WeakPolarHBondContact O-CB 3.07Å; E98-N101 PolarHBondContact O-N 3.21Å; N101-A103 VanDerWaalsContact C-N 3.34Å; N101-V104 PolarHBondContact O-N 3.18Å; N101-K105 WeakPolarHBondContact O-CG 3.13Å; N101-K105 PolarHBondContact O-N 2.91Å; N101-F150 WeakPolarHBondContact OD1-CE1 3.29Å
102Q97.9Very high97.3Very high61 Ų6159.2 Ų59.229%0.28528%0.278SS..Hα-helixtrans-61.3-45.2172.2-178.7-179.4-22.200110.6C75 E98 C99 V104 K105 E106C75-Q102 PolarHBondContact SG-OE1 2.88Å; C75-Q102 VanDerWaalsContact SG-OE1 3.41Å; E98-Q102 PolarHBondContact O-N 3.24Å; C99-Q102 WeakPolarHBondContact O-CB 3.41Å; C99-Q102 PolarHBondContact O-N 2.87Å; Q102-V104 VanDerWaalsContact C-N 3.3Å; Q102-V104 PolarHBondContact O-N 3.06Å; Q102-K105 WeakPolarHBondContact O-CB 3.2Å; Q102-K105 PolarHBondContact O-N 2.65Å; Q102-E106 HydrophobicContact CG-CG 4.33Å; Q102-E106 WeakPolarHBondContact CG-OE1 3.02Å; Q102-E106 PolarHBondContact NE2-OE1 3.07Å; Q102-E106 WeakPolarHBondContact O-CG 3.05Å; Q102-E106 PolarHBondContact O-N 2.74Å; Q102-E106 VanDerWaalsContact O-N 3.08Å
103A98.2Very high97.3Very high0 Ų063.2 Ų63.20%030%0.304CS..Hα-helixtrans-59.4-38.217800000113.2I42 L53 I55 C99 L100 N101 K105 E106 I107 F152I42-A103 HydrophobicContact CD1-CB 3.87Å; L53-A103 HydrophobicContact CD2-CB 4.31Å; I55-A103 HydrophobicContact CD1-CB 3.59Å; I55-A103 HydrophobicContact CG1-CB 4.35Å; C99-A103 PolarHBondContact O-N 2.83Å; L100-A103 WeakPolarHBondContact O-CB 3.24Å; L100-A103 PolarHBondContact O-N 2.89Å; N101-A103 VanDerWaalsContact C-N 3.34Å; A103-K105 PolarHBondContact O-N 2.92Å; A103-E106 PolarHBondContact O-N 3.38Å; A103-I107 WeakPolarHBondContact O-CG1 3.41Å; A103-I107 PolarHBondContact O-N 3.43Å; A103-F152 HydrophobicContact CB-CE2 3.97Å; A103-F152 HydrophobicContact CB-CZ 3.96Å
104V98.4Very high97.2Very high45 Ų4568.7 Ų68.727%0.27333%0.332SS..Hα-helixtrans-61-34.7175.2171.60000112.1L100 N101 Q102 H112 F150 P151 F152L100-V104 WeakPolarHBondContact O-CG2 3.31Å; L100-V104 PolarHBondContact O-N 2.73Å; L100-V104 VanDerWaalsContact O-N 3.13Å; N101-V104 PolarHBondContact O-N 3.18Å; Q102-V104 VanDerWaalsContact C-N 3.3Å; Q102-V104 PolarHBondContact O-N 3.06Å; V104-H112 PolarHBondContact O-CE1 3.14Å; V104-H112 PolarHBondContact O-NE2 2.87Å; V104-F150 HydrophobicContact CG2-CD1 3.73Å; V104-F150 HydrophobicContact CG2-CE1 4.35Å; V104-P151 HydrophobicContact CG2-CG 3.88Å; V104-F152 HydrophobicContact CB-CZ 4.45Å; V104-F152 HydrophobicContact CG2-CE2 3.71Å; V104-F152 HydrophobicContact CG2-CZ 3.82Å
105K97.8Very high97.2Very high178 Ų17862.6 Ų62.677%0.77430%0.304SS*.Hα-helixtrans-76.7-34.5179.4-65.2170.9-174.8172.30112.4N101 Q102 A103N101-K105 WeakPolarHBondContact O-CG 3.13Å; N101-K105 PolarHBondContact O-N 2.91Å; Q102-K105 WeakPolarHBondContact O-CB 3.2Å; Q102-K105 PolarHBondContact O-N 2.65Å; A103-K105 PolarHBondContact O-N 2.92Å
106E97Very high97.1Very high65 Ų6562 Ų6230%0.30430%0.299SS..Hα-helixtrans-85.8-31.1-173.3-69.7179.6175.600113.6I55 S73 Q102 A103I55-E106 HydrophobicContact CD1-CB 4.16Å; I55-E106 VanDerWaalsContact CD1-OE2 3.24Å; I55-E106 WeakPolarHBondContact CD1-OE2 3.31Å; S73-E106 WeakPolarHBondContact CB-OE2 3.28Å; S73-E106 PolarHBondContact OG-OE2 2.78Å; Q102-E106 HydrophobicContact CG-CG 4.33Å; Q102-E106 WeakPolarHBondContact CG-OE1 3.02Å; Q102-E106 PolarHBondContact NE2-OE1 3.07Å; Q102-E106 WeakPolarHBondContact O-CG 3.05Å; Q102-E106 PolarHBondContact O-N 2.74Å; Q102-E106 VanDerWaalsContact O-N 3.08Å; A103-E106 PolarHBondContact O-N 3.38Å
107I97.6Very high97.2Very high4 Ų462 Ų622%0.02130%0.299CS..SBendtrans-89.3134.8178.9-57.2-178.6000109.6Y40 I42 I55 A103 K111 H112 T115 F152Y40-I107 HydrophobicContact CD1-CD1 4.39Å; Y40-I107 HydrophobicContact CD1-CG1 4.07Å; Y40-I107 HydrophobicContact CD1-CG2 4.21Å; Y40-I107 HydrophobicContact CD2-CG2 4.13Å; Y40-I107 HydrophobicContact CG-CG1 4.5Å; Y40-I107 HydrophobicContact CG-CG2 3.95Å; I42-I107 HydrophobicContact CD1-CD1 3.73Å; I42-I107 HydrophobicContact CG1-CD1 3.95Å; I55-I107 HydrophobicContact CD1-CD1 4.29Å; I55-I107 HydrophobicContact CD1-CG1 4.21Å; I55-I107 HydrophobicContact CG2-CD1 3.73Å; I55-I107 HydrophobicContact CG2-CG1 3.93Å; A103-I107 WeakPolarHBondContact O-CG1 3.41Å; A103-I107 PolarHBondContact O-N 3.43Å; I107-K111 HydrophobicContact CG2-CB 3.96Å; I107-H112 PolarHBondContact O-CD2 3.48Å; I107-H112 PolarHBondContact O-NE2 2.82Å; I107-T115 HydrophobicContact CD1-CG2 3.72Å; I107-F152 HydrophobicContact CB-CE1 4.31Å; I107-F152 HydrophobicContact CD1-CE1 3.91Å; I107-F152 HydrophobicContact CD1-CZ 4.23Å
108P96.7Very high97.2Very high41 Ų4158 Ų5827%0.26628%0.284SS..  trans-58.2139.5175.5-24.233.7000112.8Y40 E110 K111 H112Y40-P108 HydrophobicContact CE2-CG 4.4Å; P108-E110 VanDerWaalsContact C-N 3.28Å; P108-E110 VanDerWaalsContact CB-CD 3.48Å; P108-E110 WeakPolarHBondContact CB-OE1 3.18Å; P108-E110 PolarHBondContact O-N 2.87Å; P108-K111 HydrophobicContact CB-CG 4.18Å; P108-K111 HydrophobicContact CG-CG 4.49Å; P108-K111 WeakPolarHBondContact O-CA 3.44Å; P108-K111 WeakPolarHBondContact O-CB 3.38Å; P108-K111 PolarHBondContact O-N 3.47Å; P108-H112 PolarHBondContact O-CD2 2.94Å; P108-H112 PolarHBondContact O-N 2.85Å
109K97.1Very high97.2Very high171 Ų17151.8 Ų51.874%0.74326%0.255SS*.G310 helixtrans-58.4-37.9-171.4-170.8177.9-179.4179.40113.1K111 H112K109-K111 PolarHBondContact O-N 3.13Å; K109-H112 PolarHBondContact O-N 2.96Å
110E95.5Very high97.2Very high133 Ų13351.8 Ų51.862%0.62126%0.256SS*.G310 helixtrans-67.5-17.2176.969.1-78.5-175.600113.5P108P108-E110 VanDerWaalsContact C-N 3.28Å; P108-E110 VanDerWaalsContact CB-CD 3.48Å; P108-E110 WeakPolarHBondContact CB-OE1 3.18Å; P108-E110 PolarHBondContact O-N 2.87Å
111K95.8Very high97.2Very high54 Ų5451.8 Ų51.824%0.23526%0.256CS..G310 helixtrans-94.4-15.1177.3-60.9-67.1179.7164.30112.8F38 Y40 I107 P108 K109 N114 T115F38-K111 WeakPolarHBondContact O-CE 3.47Å; F38-K111 PolarHBondContact O-NZ 3.15Å; Y40-K111 HydrophobicContact CD2-CB 4.06Å; Y40-K111 HydrophobicContact CD2-CG 4.12Å; Y40-K111 HydrophobicContact CE2-CB 4.38Å; Y40-K111 HydrophobicContact CE2-CG 4.04Å; I107-K111 HydrophobicContact CG2-CB 3.96Å; P108-K111 HydrophobicContact CB-CG 4.18Å; P108-K111 HydrophobicContact CG-CG 4.49Å; P108-K111 WeakPolarHBondContact O-CA 3.44Å; P108-K111 WeakPolarHBondContact O-CB 3.38Å; P108-K111 PolarHBondContact O-N 3.47Å; K109-K111 PolarHBondContact O-N 3.13Å; K111-N114 PolarHBondContact O-N 2.88Å; K111-T115 PolarHBondContact O-N 3.29Å; K111-T115 VanDerWaalsContact O-N 3.08Å; K111-T115 PolarHBondContact O-OG1 2.88Å
112H97.3Very high97.1Very high12 Ų1248.8 Ų48.86%0.05624%0.24CC..G310 helixtrans-53.6-52.6-176.6-60.8172.4000112.9V104 I107 P108 K109 N114 T115 P151 F152V104-H112 PolarHBondContact O-CE1 3.14Å; V104-H112 PolarHBondContact O-NE2 2.87Å; I107-H112 PolarHBondContact O-CD2 3.48Å; I107-H112 PolarHBondContact O-NE2 2.82Å; P108-H112 PolarHBondContact O-CD2 2.94Å; P108-H112 PolarHBondContact O-N 2.85Å; K109-H112 PolarHBondContact O-N 2.96Å; H112-N114 PolarHBondContact O-N 2.91Å; H112-T115 PolarHBondContact O-N 3.18Å; H112-P151 CarbonylContact C-O 3.19Å; H112-P151 VanDerWaalsContact C-O 3.22Å; H112-P151 HydrophobicContact CB-CB 4.06Å; H112-P151 HydrophobicContact CB-CG 4.21Å; H112-P151 VanDerWaalsContact CB-O 3.28Å; H112-P151 WeakPolarHBondContact CB-O 3.44Å; H112-F152 HydrophobicContact CB-CD1 4.02Å; H112-F152 HydrophobicContact CB-CE1 4.13Å; H112-F152 AromaticContact CD2-CE1 3.56Å; H112-F152 AromaticContact CG-CE1 3.91Å; H112-F152 WeakPolarHBondContact O-CA 2.97Å
113P96.4Very high97.1Very high83 Ų8346 Ų4654%0.53923%0.227SC..G310 helixtrans-64.3-19.6-174.4-21.734.8000114.4
114N93.3Very high97.1Very high125 Ų12546.2 Ų46.267%0.66823%0.23SC*.G310 helixtrans-105.9-1.4-178.6-65.1-37.7000112.9K111 H112 P116K111-N114 PolarHBondContact O-N 2.88Å; H112-N114 PolarHBondContact O-N 2.91Å; N114-P116 VanDerWaalsContact O-CD 3.32Å; N114-P116 WeakPolarHBondContact O-CD 3.45Å
115T96.6Very high97.1Very high2 Ų244.1 Ų44.11%0.01222%0.217CC..  trans-86.6111.1177.8-62.60000108.2I42 I107 K111 H112 F152 N153I42-T115 HydrophobicContact CD1-CG2 4.02Å; I42-T115 HydrophobicContact CG1-CG2 3.98Å; I107-T115 HydrophobicContact CD1-CG2 3.72Å; K111-T115 PolarHBondContact O-N 3.29Å; K111-T115 VanDerWaalsContact O-N 3.08Å; K111-T115 PolarHBondContact O-OG1 2.88Å; H112-T115 PolarHBondContact O-N 3.18Å; T115-F152 HydrophobicContact CG2-CD1 4.11Å; T115-F152 HydrophobicContact CG2-CE1 4.48Å; T115-N153 PolarHBondContact O-N 2.98Å
116P96.9Very high97.1Very high4 Ų437.1 Ų37.13%0.02619%0.186CC..EExtended strand (participates in β ladder)trans-78.7144.1-179.437.3-37.9000111.2Y40 I42 N114 Y118 N153 S155Y40-P116 VanDerWaalsContact O-CD 3.26Å; Y40-P116 WeakPolarHBondContact O-CD 3.1Å; I42-P116 PolarHBondContact N-O 2.49Å; N114-P116 VanDerWaalsContact O-CD 3.32Å; N114-P116 WeakPolarHBondContact O-CD 3.45Å; P116-Y118 HydrophobicContact CB-CD2 4.47Å; P116-Y118 HydrophobicContact CB-CE2 3.65Å; P116-Y118 HydrophobicContact CG-CE2 4.1Å; P116-N153 CarbonylContact C-O 3.55Å; P116-N153 VanDerWaalsContact CA-O 3.23Å; P116-N153 WeakPolarHBondContact CA-O 3.31Å; P116-S155 VanDerWaalsContact CB-OG 3.32Å; P116-S155 WeakPolarHBondContact CB-OG 3.3Å
117V98Very high97.1Very high0 Ų034.6 Ų34.60%017%0.174CC..EExtended strand (participates in β ladder)trans-121.4126.2177.6-169.20000109.6I42 L44 I147 F152 N153 S155I42-V117 HydrophobicContact CB-CB 4.35Å; I42-V117 HydrophobicContact CB-CG1 4.05Å; I42-V117 HydrophobicContact CB-CG2 4.06Å; I42-V117 HydrophobicContact CD1-CG2 3.91Å; I42-V117 HydrophobicContact CG1-CG2 4.44Å; I42-V117 HydrophobicContact CG2-CG1 3.94Å; I42-V117 WeakPolarHBondContact O-CA 3.46Å; L44-V117 HydrophobicContact CD1-CG1 3.43Å; L44-V117 VanDerWaalsContact CD1-CG1 3.43Å; V117-I147 HydrophobicContact CB-CG2 3.79Å; V117-I147 HydrophobicContact CG1-CG2 3.56Å; V117-I147 HydrophobicContact CG2-CG2 4.41Å; V117-F152 HydrophobicContact CG2-CB 3.26Å; V117-F152 HydrophobicContact CG2-CD2 4.02Å; V117-F152 HydrophobicContact CG2-CG 3.83Å; V117-N153 PolarHBondContact N-O 2.86Å; V117-S155 PolarHBondContact O-N 3.48Å
118Y97.5Very high97.1Very high34 Ų3435 Ų3513%0.13318%0.177CC..EExtended strand (participates in β ladder)trans-122.5138.8175.6-62.3-97.1000109.6I42 V43 L44 P116 S155 G156 Y448 L452I42-Y118 PolarHBondContact O-N 3.25Å; V43-Y118 CarbonylContact C-O 3.55Å; V43-Y118 WeakPolarHBondContact CA-O 3.41Å; L44-Y118 WeakPolarHBondContact CD1-O 3.4Å; L44-Y118 PolarHBondContact N-O 3.25Å; P116-Y118 HydrophobicContact CB-CD2 4.47Å; P116-Y118 HydrophobicContact CB-CE2 3.65Å; P116-Y118 HydrophobicContact CG-CE2 4.1Å; Y118-S155 VanDerWaalsContact CE2-CB 3.43Å; Y118-S155 WeakPolarHBondContact OH-CB 3.38Å; Y118-S155 PolarHBondContact OH-OG 2.98Å; Y118-G156 WeakPolarHBondContact CA-O 3.5Å; Y118-Y448 AromaticContact CD1-CE1 3.9Å; Y118-Y448 HydrophobicContact CD1-CE1 3.9Å; Y118-Y448 AromaticContact CD1-CZ 3.89Å; Y118-Y448 WeakPolarHBondContact CD1-OH 3.47Å; Y118-Y448 HydrophobicContact CD2-CE1 4.03Å; Y118-Y448 HydrophobicContact CE1-CE1 4.42Å; Y118-Y448 VanDerWaalsContact CE1-OH 3.32Å; Y118-Y448 WeakPolarHBondContact CE1-OH 3.44Å; Y118-Y448 AromaticContact CG-CE1 3.67Å; Y118-Y448 HydrophobicContact CG-CE1 3.67Å; Y118-L452 HydrophobicContact CD2-CD2 3.79Å; Y118-L452 HydrophobicContact CE1-CD1 4.23Å; Y118-L452 HydrophobicContact CE1-CD2 4.45Å; Y118-L452 HydrophobicContact CE2-CD1 4.17Å; Y118-L452 HydrophobicContact CE2-CD2 3.05Å; Y118-L452 HydrophobicContact CE2-CG 4.2Å; Y118-L452 VanDerWaalsContact CZ-CD2 3.45Å; Y118-L452 VanDerWaalsContact OH-CD1 3.25Å; Y118-L452 WeakPolarHBondContact OH-CD1 3.27Å
119L98.3Very high97.2Very high1 Ų136.2 Ų36.21%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-110.2121.9163.5-177.3152.9000108.3L44 A46 I82 L96 A121 V143 I147 G156 A157 V158L44-L119 HydrophobicContact CB-CB 4.08Å; L44-L119 HydrophobicContact CB-CD1 4.15Å; L44-L119 HydrophobicContact CB-CG 4Å; L44-L119 HydrophobicContact CD2-CD1 4.37Å; L44-L119 WeakPolarHBondContact O-CA 3.28Å; A46-L119 HydrophobicContact CB-CD2 3.96Å; A46-L119 HydrophobicContact CB-CG 4.21Å; I82-L119 HydrophobicContact CD1-CD2 4.01Å; L96-L119 HydrophobicContact CD1-CD1 3.8Å; L119-A121 HydrophobicContact CD2-CB 4.27Å; L119-V143 HydrophobicContact CD1-CB 4.04Å; L119-V143 HydrophobicContact CD1-CG2 3.81Å; L119-V143 HydrophobicContact CD2-CG2 4.34Å; L119-I147 HydrophobicContact CB-CD1 3.87Å; L119-I147 HydrophobicContact CD1-CD1 4.16Å; L119-G156 PolarHBondContact N-O 3.1Å; L119-A157 HydrophobicContact CB-CB 4.06Å; L119-A157 HydrophobicContact CD2-CB 4.21Å; L119-A157 WeakPolarHBondContact O-CA 3.19Å; L119-V158 PolarHBondContact O-N 2.91Å
120G98Very high97.1Very high3 Ų333.2 Ų33.23%0.03117%0.172CC..EExtended strand (participates in β ladder)trans-112.5118.3172.300000109.7L44 A46 W444L44-G120 PolarHBondContact O-N 2.82Å; A46-G120 PolarHBondContact N-O 2.94Å; G120-W444 VanDerWaalsContact O-CZ2 3.32Å; G120-W444 WeakPolarHBondContact O-CZ2 3.13Å
121A97.9Very high97.1Very high0 Ų030.3 Ų30.30%017%0.166CC..EExtended strand (participates in β ladder)trans-99138.8175.400000111.2A46 I82 L119 M125 V158 I159 L160A46-A121 HydrophobicContact CB-CB 3.92Å; A46-A121 WeakPolarHBondContact O-CA 3.2Å; I82-A121 HydrophobicContact CD1-CB 3.99Å; L119-A121 HydrophobicContact CD2-CB 4.27Å; A121-M125 HydrophobicContact CB-CB 3.66Å; A121-M125 HydrophobicContact CB-CG 3.48Å; A121-M125 VanDerWaalsContact CB-CG 3.48Å; A121-V158 PolarHBondContact N-O 2.85Å; A121-I159 CarbonylContact O-C 3.43Å; A121-I159 WeakPolarHBondContact O-CA 3.2Å; A121-L160 PolarHBondContact O-N 2.78Å
122T97.8Very high97.1Very high8 Ų830.3 Ų30.35%0.04917%0.169CC..  trans-103.2-144.5-172.259.60000111.8A46 G47 G124 M125 R126 E165 W444A46-T122 PolarHBondContact O-N 2.86Å; A46-T122 VanDerWaalsContact O-N 3.16Å; G47-T122 WeakPolarHBondContact CA-OG1 3.45Å; T122-G124 PolarHBondContact O-N 3.4Å; T122-G124 VanDerWaalsContact O-N 3.12Å; T122-M125 PolarHBondContact O-N 2.53Å; T122-M125 VanDerWaalsContact O-N 3.17Å; T122-R126 PolarHBondContact O-N 2.84Å; T122-R126 VanDerWaalsContact O-N 3.12Å; T122-E165 WeakPolarHBondContact CB-OE2 3.41Å; T122-E165 VanDerWaalsContact CG2-CD 3.44Å; T122-E165 HydrophobicContact CG2-CG 4.09Å; T122-E165 VanDerWaalsContact CG2-OE2 3.3Å; T122-E165 WeakPolarHBondContact CG2-OE2 3.31Å; T122-W444 HydrophobicContact CG2-CZ2 4.26Å
123A97.4Very high97.1Very high2 Ų232.8 Ų32.82%0.01719%0.186CC..Hα-helixtrans-58.4-27.4-172.400000115.1R126 L127 A205 S206 L241A123-R126 PolarHBondContact O-N 3.01Å; A123-L127 WeakPolarHBondContact O-CG 3.13Å; A123-L127 PolarHBondContact O-N 2.54Å; A123-A205 HydrophobicContact CB-CB 3.52Å; A123-S206 VanDerWaalsContact CB-OG 3.26Å; A123-S206 WeakPolarHBondContact CB-OG 3.44Å; A123-L241 HydrophobicContact CB-CD1 3.66Å
124G97.3Very high97.1Very high6 Ų637.1 Ų37.16%0.06220%0.196CC..Hα-helixtrans-60-48175.800000112.2T122 L127 L128T122-G124 PolarHBondContact O-N 3.4Å; T122-G124 VanDerWaalsContact O-N 3.12Å; G124-L127 PolarHBondContact O-N 3.41Å; G124-L128 PolarHBondContact O-N 3.46Å
125M98.3Very high97.3Very high1 Ų133.8 Ų33.81%0.00518%0.177CC..Hα-helixtrans-74.1-29.6175.6-74.2-62.9-76.500112.7I82 A121 T122 L127 L128 N129 S136 I139 L140 I159I82-M125 HydrophobicContact CD1-CE 4.42Å; I82-M125 HydrophobicContact CD1-CG 3.9Å; I82-M125 HydrophobicContact CD1-SD 4.23Å; I82-M125 HydrophobicContact CG1-CG 3.7Å; I82-M125 HydrophobicContact CG1-SD 3.86Å; A121-M125 HydrophobicContact CB-CB 3.66Å; A121-M125 HydrophobicContact CB-CG 3.48Å; A121-M125 VanDerWaalsContact CB-CG 3.48Å; T122-M125 PolarHBondContact O-N 2.53Å; T122-M125 VanDerWaalsContact O-N 3.17Å; M125-L127 VanDerWaalsContact C-N 3.34Å; M125-L127 PolarHBondContact O-N 3.26Å; M125-L128 HydrophobicContact CE-CD2 4.39Å; M125-L128 PolarHBondContact O-N 2.9Å; M125-L128 HydrophobicContact SD-CB 4.44Å; M125-L128 HydrophobicContact SD-CD2 3.81Å; M125-N129 VanDerWaalsContact O-CB 3.25Å; M125-N129 WeakPolarHBondContact O-CB 3.42Å; M125-N129 PolarHBondContact O-N 2.56Å; M125-S136 WeakPolarHBondContact CE-O 2.97Å; M125-S136 VanDerWaalsContact CE-OG 3.24Å; M125-S136 WeakPolarHBondContact CE-OG 3.35Å; M125-I139 HydrophobicContact CE-CB 4.06Å; M125-I139 HydrophobicContact CE-CG2 3.96Å; M125-I139 HydrophobicContact SD-CG2 4.31Å; M125-L140 HydrophobicContact CE-CD1 4.48Å; M125-L140 HydrophobicContact CE-CD2 4.01Å; M125-L140 HydrophobicContact CE-CG 3.84Å; M125-I159 HydrophobicContact CB-CD1 4.06Å; M125-I159 HydrophobicContact CB-CG1 4Å; M125-I159 HydrophobicContact CB-CG2 4.38Å
126R98.5Very high97.4Very high31 Ų3133.7 Ų33.712%0.11718%0.176CC..Hα-helixtrans-58.8-45.5169.4-66.6-174.7-100.1145.71.9111.1T122 A123 N129 I130 I159 L160 E165 S206 S239 L241T122-R126 PolarHBondContact O-N 2.84Å; T122-R126 VanDerWaalsContact O-N 3.12Å; A123-R126 PolarHBondContact O-N 3.01Å; R126-N129 PolarHBondContact O-N 3.05Å; R126-I130 WeakPolarHBondContact O-CG1 3.38Å; R126-I130 PolarHBondContact O-N 3.37Å; R126-I130 VanDerWaalsContact O-N 3.07Å; R126-I159 HydrophobicContact CB-CG2 4.39Å; R126-I159 HydrophobicContact CG-CG2 3.38Å; R126-L160 PolarHBondContact NE-O 2.85Å; R126-E165 IonicContact CZ-OE2 3.54Å; R126-E165 IonicContact NH2-OE1 3.4Å; R126-E165 IonicContact NH2-OE2 2.74Å; R126-E165 PolarHBondContact NH2-OE2 2.89Å; R126-S206 PolarHBondContact NH2-OG 2.82Å; R126-S239 PolarHBondContact NH1-OG 3.04Å; R126-S239 VanDerWaalsContact NH1-OG 3.08Å; R126-L241 HydrophobicContact CB-CD1 4.29Å
127L97.8Very high97.4Very high11 Ų1138.2 Ų38.26%0.05820%0.2CC..Hα-helixtrans-64.8-43.2176-68.7177.1000112.4A123 G124 M125 N129 I130 S131 A205 L241 Q247 P288 C289A123-L127 WeakPolarHBondContact O-CG 3.13Å; A123-L127 PolarHBondContact O-N 2.54Å; G124-L127 PolarHBondContact O-N 3.41Å; M125-L127 VanDerWaalsContact C-N 3.34Å; M125-L127 PolarHBondContact O-N 3.26Å; L127-N129 VanDerWaalsContact C-N 3.31Å; L127-N129 PolarHBondContact O-N 2.92Å; L127-I130 PolarHBondContact O-N 2.76Å; L127-S131 PolarHBondContact O-N 3.37Å; L127-S131 PolarHBondContact O-OG 3.1Å; L127-A205 HydrophobicContact CD1-CB 3.79Å; L127-L241 HydrophobicContact CD2-CD1 4.04Å; L127-L241 HydrophobicContact CD2-CD2 4.1Å; L127-L241 HydrophobicContact CD2-CG 4.01Å; L127-L241 HydrophobicContact CG-CD1 4.14Å; L127-Q247 HydrophobicContact CD1-CG 3.95Å; L127-P288 HydrophobicContact CD2-CB 4.47Å; L127-C289 WeakPolarHBondContact CD2-SG 3.46Å
128L97.3Very high97.4Very high14 Ų1441.7 Ų41.77%0.07322%0.217CC..Hα-helixtrans-63.9-38175.7-17961.1000111.7A86 G124 M125 I130 S131 N132 Q135 I139A86-L128 HydrophobicContact CB-CD1 3.81Å; A86-L128 HydrophobicContact CB-CD2 4.09Å; G124-L128 PolarHBondContact O-N 3.46Å; M125-L128 HydrophobicContact CE-CD2 4.39Å; M125-L128 PolarHBondContact O-N 2.9Å; M125-L128 HydrophobicContact SD-CB 4.44Å; M125-L128 HydrophobicContact SD-CD2 3.81Å; L128-I130 VanDerWaalsContact C-N 3.28Å; L128-I130 PolarHBondContact O-N 3.45Å; L128-S131 PolarHBondContact O-N 3.46Å; L128-S131 PolarHBondContact O-OG 2.93Å; L128-N132 HydrophobicContact CD1-CB 4.22Å; L128-N132 CarbonylContact O-C 3.53Å; L128-N132 WeakPolarHBondContact O-CA 3.45Å; L128-N132 PolarHBondContact O-N 2.8Å; L128-Q135 HydrophobicContact CD1-CB 4.41Å; L128-I139 HydrophobicContact CD2-CD1 3.6Å
129N97.9Very high97.5Very high65 Ų6540.3 Ų40.335%0.34821%0.211SC..Hα-helixtrans-65.1-34.7176.9-168.137.3000111.7M125 R126 L127 P133 I159M125-N129 VanDerWaalsContact O-CB 3.25Å; M125-N129 WeakPolarHBondContact O-CB 3.42Å; M125-N129 PolarHBondContact O-N 2.56Å; R126-N129 PolarHBondContact O-N 3.05Å; L127-N129 VanDerWaalsContact C-N 3.31Å; L127-N129 PolarHBondContact O-N 2.92Å; N129-P133 VanDerWaalsContact O-CD 3.28Å; N129-P133 WeakPolarHBondContact O-CD 3.43Å; N129-P133 WeakPolarHBondContact O-CG 3.34Å; N129-I159 HydrophobicContact CB-CD1 3.91Å
130I96.1Very high97.5Very high109 Ų10941.4 Ų41.456%0.55922%0.217SC*.Hα-helixtrans-68.2-45.1174.1-68.9163.5000111.2R126 L127 L128 L241 P288R126-I130 WeakPolarHBondContact O-CG1 3.38Å; R126-I130 PolarHBondContact O-N 3.37Å; R126-I130 VanDerWaalsContact O-N 3.07Å; L127-I130 PolarHBondContact O-N 2.76Å; L128-I130 VanDerWaalsContact C-N 3.28Å; L128-I130 PolarHBondContact O-N 3.45Å; I130-L241 HydrophobicContact CD1-CD2 3.71Å; I130-P288 HydrophobicContact CG2-CB 4.4Å
131S94.5Very high97.5Very high71 Ų7144 Ų4450%0.49724%0.238SC..Hα-helixtrans-80.3-37.7-175.362.30000113.8L127 L128L127-S131 PolarHBondContact O-N 3.37Å; L127-S131 PolarHBondContact O-OG 3.1Å; L128-S131 PolarHBondContact O-N 3.46Å; L128-S131 PolarHBondContact O-OG 2.93Å
132N96.1Very high97.4Very high54 Ų5445.4 Ų45.429%0.28925%0.245SC..  trans-152.681.1-176.4-164.1-22.4000111.6L128 K134 Q135 S136L128-N132 HydrophobicContact CD1-CB 4.22Å; L128-N132 CarbonylContact O-C 3.53Å; L128-N132 WeakPolarHBondContact O-CA 3.45Å; L128-N132 PolarHBondContact O-N 2.8Å; N132-K134 PolarHBondContact O-N 3.3Å; N132-Q135 HydrophobicContact CB-CB 4.25Å; N132-Q135 WeakPolarHBondContact ND2-CG 3.47Å; N132-Q135 PolarHBondContact ND2-NE2 2.97Å; N132-Q135 PolarHBondContact ND2-OE1 2.86Å; N132-Q135 VanDerWaalsContact ND2-OE1 3.08Å; N132-Q135 PolarHBondContact O-N 2.81Å; N132-Q135 VanDerWaalsContact O-N 3.15Å; N132-Q135 PolarHBondContact OD1-N 2.96Å; N132-S136 PolarHBondContact O-N 2.63Å; N132-S136 VanDerWaalsContact O-N 3.11Å
133P97.2Very high97.5Very high65 Ų6545 Ų4542%0.42224%0.242SC..Hα-helixtrans-53.1-40.4-179.5-21.524.6000113.5N129 Q135 S136 D137N129-P133 VanDerWaalsContact O-CD 3.28Å; N129-P133 WeakPolarHBondContact O-CD 3.43Å; N129-P133 WeakPolarHBondContact O-CG 3.34Å; P133-Q135 PolarHBondContact O-N 3.36Å; P133-S136 WeakPolarHBondContact O-CB 3.47Å; P133-S136 PolarHBondContact O-N 3.31Å; P133-S136 VanDerWaalsContact O-N 3.12Å; P133-D137 PolarHBondContact O-N 3.42Å
134K97.6Very high97.5Very high173 Ų17345 Ų4575%0.75224%0.241SC*.Hα-helixtrans-61.7-42-178.6-67.8-175.8179.2-179.30112.6N132 Q138N132-K134 PolarHBondContact O-N 3.3Å; K134-Q138 WeakPolarHBondContact O-CB 3.23Å; K134-Q138 PolarHBondContact O-N 2.9Å
135Q97.1Very high97.5Very high56 Ų5648.1 Ų48.126%0.26226%0.263SS..Hα-helixtrans-71.5-34.5176.5-75.7-178.3-1200111.6L128 N132 P133 Q138 I139L128-Q135 HydrophobicContact CD1-CB 4.41Å; N132-Q135 HydrophobicContact CB-CB 4.25Å; N132-Q135 WeakPolarHBondContact ND2-CG 3.47Å; N132-Q135 PolarHBondContact ND2-NE2 2.97Å; N132-Q135 PolarHBondContact ND2-OE1 2.86Å; N132-Q135 VanDerWaalsContact ND2-OE1 3.08Å; N132-Q135 PolarHBondContact O-N 2.81Å; N132-Q135 VanDerWaalsContact O-N 3.15Å; N132-Q135 PolarHBondContact OD1-N 2.96Å; P133-Q135 PolarHBondContact O-N 3.36Å; Q135-Q138 PolarHBondContact O-N 3.15Å; Q135-I139 VanDerWaalsContact O-CG1 3.32Å; Q135-I139 WeakPolarHBondContact O-CG1 3.28Å; Q135-I139 PolarHBondContact O-N 3.12Å
136S97.9Very high97.5Very high0 Ų049 Ų490%027%0.267CS..Hα-helixtrans-60.3-51.2173.8-156.20000111.3M125 N132 P133 Q138 I139 L140M125-S136 WeakPolarHBondContact CE-O 2.97Å; M125-S136 VanDerWaalsContact CE-OG 3.24Å; M125-S136 WeakPolarHBondContact CE-OG 3.35Å; N132-S136 PolarHBondContact O-N 2.63Å; N132-S136 VanDerWaalsContact O-N 3.11Å; P133-S136 WeakPolarHBondContact O-CB 3.47Å; P133-S136 PolarHBondContact O-N 3.31Å; P133-S136 VanDerWaalsContact O-N 3.12Å; S136-Q138 VanDerWaalsContact C-N 3.32Å; S136-Q138 PolarHBondContact O-N 2.88Å; S136-I139 PolarHBondContact O-N 3.37Å; S136-L140 WeakPolarHBondContact O-CG 3.34Å; S136-L140 PolarHBondContact O-N 2.04Å
137D97.9Very high97.5Very high98 Ų9847.5 Ų47.552%0.52426%0.261SS..Hα-helixtrans-60.4-41.4177.5-70.1-21.7000112.2P133 L140 A141P133-D137 PolarHBondContact O-N 3.42Å; D137-L140 PolarHBondContact O-N 3.36Å; D137-A141 WeakPolarHBondContact O-CB 3.5Å; D137-A141 PolarHBondContact O-N 3.17Å
138Q97.8Very high97.5Very high74 Ų7453.9 Ų53.935%0.34628%0.284SS..Hα-helixtrans-59.7-48.6176.8-174.9-169.5-33.400111.4K134 Q135 S136 L140 A141 E142K134-Q138 WeakPolarHBondContact O-CB 3.23Å; K134-Q138 PolarHBondContact O-N 2.9Å; Q135-Q138 PolarHBondContact O-N 3.15Å; S136-Q138 VanDerWaalsContact C-N 3.32Å; S136-Q138 PolarHBondContact O-N 2.88Å; Q138-L140 PolarHBondContact O-N 3.25Å; Q138-A141 PolarHBondContact O-N 3.28Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.08Å; Q138-E142 PolarHBondContact NE2-OE1 2.99Å; Q138-E142 VanDerWaalsContact O-CG 3.32Å; Q138-E142 WeakPolarHBondContact O-CG 3.42Å; Q138-E142 PolarHBondContact O-N 2.98Å
139I98.3Very high97.5Very high4 Ų457.2 Ų57.22%0.02131%0.309CS..Hα-helixtrans-61.9-44.8179.4-70.2172000110.7I82 A92 M125 L128 Q135 S136 A141 E142 V143I82-I139 HydrophobicContact CB-CG2 4.08Å; I82-I139 HydrophobicContact CD1-CG2 4.07Å; I82-I139 HydrophobicContact CG1-CG2 4.16Å; A92-I139 HydrophobicContact CB-CG2 3.95Å; M125-I139 HydrophobicContact CE-CB 4.06Å; M125-I139 HydrophobicContact CE-CG2 3.96Å; M125-I139 HydrophobicContact SD-CG2 4.31Å; L128-I139 HydrophobicContact CD2-CD1 3.6Å; Q135-I139 VanDerWaalsContact O-CG1 3.32Å; Q135-I139 WeakPolarHBondContact O-CG1 3.28Å; Q135-I139 PolarHBondContact O-N 3.12Å; S136-I139 PolarHBondContact O-N 3.37Å; I139-A141 VanDerWaalsContact C-N 3.31Å; I139-A141 PolarHBondContact O-N 3.5Å; I139-E142 PolarHBondContact O-N 2.97Å; I139-V143 HydrophobicContact CG2-CG1 4.47Å; I139-V143 WeakPolarHBondContact O-CG1 3.07Å; I139-V143 WeakPolarHBondContact O-CG2 3.07Å; I139-V143 PolarHBondContact O-N 2.86Å
140L98.4Very high97.5Very high25 Ų2555.2 Ų55.213%0.13130%0.297CS..Hα-helixtrans-61.3-39.4177.2-67.6173.8000112.1M125 S136 D137 Q138 V143 G144 I159M125-L140 HydrophobicContact CE-CD1 4.48Å; M125-L140 HydrophobicContact CE-CD2 4.01Å; M125-L140 HydrophobicContact CE-CG 3.84Å; S136-L140 WeakPolarHBondContact O-CG 3.34Å; S136-L140 PolarHBondContact O-N 2.04Å; D137-L140 PolarHBondContact O-N 3.36Å; Q138-L140 PolarHBondContact O-N 3.25Å; L140-V143 WeakPolarHBondContact O-CG2 3.5Å; L140-G144 PolarHBondContact O-N 3.08Å; L140-I159 HydrophobicContact CD1-CD1 4.08Å; L140-I159 HydrophobicContact CD1-CG1 3.82Å; L140-I159 HydrophobicContact CD2-CG1 4.43Å
141A98Very high97.6Very high56 Ų5653.1 Ų53.146%0.46329%0.291SS..Hα-helixtrans-66.4-42.7176.400000112.1D137 Q138 I139 G144 S145D137-A141 WeakPolarHBondContact O-CB 3.5Å; D137-A141 PolarHBondContact O-N 3.17Å; Q138-A141 PolarHBondContact O-N 3.28Å; I139-A141 VanDerWaalsContact C-N 3.31Å; I139-A141 PolarHBondContact O-N 3.5Å; A141-G144 PolarHBondContact O-N 3.49Å; A141-S145 WeakPolarHBondContact O-CB 3.37Å; A141-S145 PolarHBondContact O-N 3.39Å
142E97.4Very high97.8Very high31 Ų3150.4 Ų50.415%0.14527%0.27CS..Hα-helixtrans-62.4-53.1177.7-73.8174.2-169.400111.6V89 G90 A93 Q138 I139 G144 S145 E146V89-E142 WeakPolarHBondContact CG1-OE1 3.49Å; G90-E142 WeakPolarHBondContact CA-OE2 3.4Å; G90-E142 VanDerWaalsContact N-CD 3.31Å; G90-E142 PolarHBondContact N-OE1 2.87Å; G90-E142 PolarHBondContact N-OE2 3.14Å; A93-E142 HydrophobicContact CB-CB 4.36Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.08Å; Q138-E142 PolarHBondContact NE2-OE1 2.99Å; Q138-E142 VanDerWaalsContact O-CG 3.32Å; Q138-E142 WeakPolarHBondContact O-CG 3.42Å; Q138-E142 PolarHBondContact O-N 2.98Å; I139-E142 PolarHBondContact O-N 2.97Å; E142-G144 VanDerWaalsContact C-N 3.31Å; E142-G144 PolarHBondContact O-N 3.35Å; E142-S145 WeakPolarHBondContact O-CB 3.4Å; E142-S145 PolarHBondContact O-N 3.21Å; E142-S145 VanDerWaalsContact O-N 3.14Å; E142-E146 PolarHBondContact O-N 3.33Å
143V97.9Very high97.8Very high0 Ų051.6 Ų51.60%028%0.277CS..Hα-helixtrans-65-36.7178.9-58.40000111.6A92 L96 L119 I139 L140 S145 E146 I147 A157A92-V143 HydrophobicContact CB-CG1 3.99Å; L96-V143 HydrophobicContact CD1-CB 3.76Å; L96-V143 HydrophobicContact CD1-CG1 3.8Å; L119-V143 HydrophobicContact CD1-CB 4.04Å; L119-V143 HydrophobicContact CD1-CG2 3.81Å; L119-V143 HydrophobicContact CD2-CG2 4.34Å; I139-V143 HydrophobicContact CG2-CG1 4.47Å; I139-V143 WeakPolarHBondContact O-CG1 3.07Å; I139-V143 WeakPolarHBondContact O-CG2 3.07Å; I139-V143 PolarHBondContact O-N 2.86Å; L140-V143 WeakPolarHBondContact O-CG2 3.5Å; V143-S145 VanDerWaalsContact C-N 3.33Å; V143-S145 PolarHBondContact O-N 2.98Å; V143-E146 PolarHBondContact O-N 2.63Å; V143-I147 VanDerWaalsContact O-CG1 3.29Å; V143-I147 WeakPolarHBondContact O-CG1 3.41Å; V143-I147 PolarHBondContact O-N 2.78Å; V143-A157 HydrophobicContact CG2-CB 4.01Å
144G98.1Very high97.8Very high0 Ų051.3 Ų51.30%027%0.268CS..Hα-helixtrans-65.7-35.2174.200000112.6L140 A141 E142 R148L140-G144 PolarHBondContact O-N 3.08Å; A141-G144 PolarHBondContact O-N 3.49Å; E142-G144 VanDerWaalsContact C-N 3.31Å; E142-G144 PolarHBondContact O-N 3.35Å; G144-R148 WeakPolarHBondContact O-CB 3.27Å; G144-R148 WeakPolarHBondContact O-CG 3.41Å; G144-R148 PolarHBondContact O-N 2.99Å; G144-R148 PolarHBondContact O-NE 3.19Å
145S97.9Very high97.7Very high73 Ų7345 Ų4551%0.5125%0.245SC..Hα-helixtrans-67.5-42.4172.5-169.30000111.7A141 E142 V143 R148 S149A141-S145 WeakPolarHBondContact O-CB 3.37Å; A141-S145 PolarHBondContact O-N 3.39Å; E142-S145 WeakPolarHBondContact O-CB 3.4Å; E142-S145 PolarHBondContact O-N 3.21Å; E142-S145 VanDerWaalsContact O-N 3.14Å; V143-S145 VanDerWaalsContact C-N 3.33Å; V143-S145 PolarHBondContact O-N 2.98Å; S145-R148 PolarHBondContact O-N 2.99Å; S145-S149 PolarHBondContact O-N 3.28Å
146E97.6Very high97.6Very high19 Ų1943 Ų439%0.08924%0.239CC..Hα-helixtrans-60.7-50.1176.7-174.568.8-16500110.9A93 R97 L100 E142 V143 R148 S149 F150A93-E146 HydrophobicContact CB-CB 3.77Å; A93-E146 HydrophobicContact CB-CG 4.21Å; R97-E146 IonicContact CZ-OE1 3.18Å; R97-E146 VanDerWaalsContact CZ-OE1 3.27Å; R97-E146 IonicContact CZ-OE2 2.71Å; R97-E146 IonicContact NE-OE1 3.47Å; R97-E146 PolarHBondContact NE-OE1 3.2Å; R97-E146 VanDerWaalsContact NH2-CD 3.29Å; R97-E146 IonicContact NH2-OE1 2.77Å; R97-E146 PolarHBondContact NH2-OE1 2.79Å; R97-E146 IonicContact NH2-OE2 3.89Å; R97-E146 PolarHBondContact NH2-OE2 2.84Å; L100-E146 HydrophobicContact CD1-CG 4.2Å; E142-E146 PolarHBondContact O-N 3.33Å; V143-E146 PolarHBondContact O-N 2.63Å; E146-R148 VanDerWaalsContact C-N 3.26Å; E146-R148 PolarHBondContact O-N 3.06Å; E146-S149 WeakPolarHBondContact O-CB 3.39Å; E146-S149 PolarHBondContact O-N 2.95Å; E146-S149 PolarHBondContact O-OG 3.37Å; E146-F150 HydrophobicContact CG-CE2 4.31Å; E146-F150 WeakPolarHBondContact O-CD2 3.41Å
147I98.1Very high97.6Very high0 Ų043.7 Ų43.70%025%0.245CC..Hα-helixtrans-60.2-38.2-179.9-63.7162.8000111.1L44 L100 V117 L119 V143 S149 F150 Y154L44-I147 HydrophobicContact CD1-CD1 4.26Å; L100-I147 HydrophobicContact CD1-CG1 4.16Å; V117-I147 HydrophobicContact CB-CG2 3.79Å; V117-I147 HydrophobicContact CG1-CG2 3.56Å; V117-I147 HydrophobicContact CG2-CG2 4.41Å; L119-I147 HydrophobicContact CB-CD1 3.87Å; L119-I147 HydrophobicContact CD1-CD1 4.16Å; V143-I147 VanDerWaalsContact O-CG1 3.29Å; V143-I147 WeakPolarHBondContact O-CG1 3.41Å; V143-I147 PolarHBondContact O-N 2.78Å; I147-S149 PolarHBondContact O-N 2.83Å; I147-F150 PolarHBondContact O-N 2.79Å; I147-F150 VanDerWaalsContact O-N 3.15Å; I147-Y154 HydrophobicContact CB-CD2 3.91Å; I147-Y154 HydrophobicContact CB-CE2 4.32Å; I147-Y154 HydrophobicContact CD1-CE2 4.4Å; I147-Y154 HydrophobicContact CG2-CD2 3.62Å; I147-Y154 HydrophobicContact CG2-CE2 4.41Å; I147-Y154 HydrophobicContact CG2-CG 4.5Å
148R97.9Very high97.6Very high144 Ų14442.5 Ų42.554%0.54324%0.241SC..Hα-helixtrans-64.6-20.2175.6-80.5-179.1-76-140.31114.1G144 S145 E146 F150 Y154G144-R148 WeakPolarHBondContact O-CB 3.27Å; G144-R148 WeakPolarHBondContact O-CG 3.41Å; G144-R148 PolarHBondContact O-N 2.99Å; G144-R148 PolarHBondContact O-NE 3.19Å; S145-R148 PolarHBondContact O-N 2.99Å; E146-R148 VanDerWaalsContact C-N 3.26Å; E146-R148 PolarHBondContact O-N 3.06Å; R148-F150 VanDerWaalsContact C-N 3.26Å; R148-Y154 HydrophobicContact CG-CD1 3.6Å; R148-Y154 HydrophobicContact CG-CD2 4.26Å; R148-Y154 HydrophobicContact CG-CE1 4.3Å; R148-Y154 HydrophobicContact CG-CG 3.54Å
149S97.9Very high97.6Very high85 Ų8541.1 Ų41.159%0.59424%0.236SC*.THydrogen-bonded Turntrans-76.6-13.8176.178.30000113.4S145 E146 I147S145-S149 PolarHBondContact O-N 3.28Å; E146-S149 WeakPolarHBondContact O-CB 3.39Å; E146-S149 PolarHBondContact O-N 2.95Å; E146-S149 PolarHBondContact O-OG 3.37Å; I147-S149 PolarHBondContact O-N 2.83Å
150F98.3Very high97.5Very high22 Ų2241 Ų4110%0.09624%0.235CC..SBendtrans-90.8157.5177.5-76-94.3000111.7R97 L100 N101 V104 E146 I147 R148 F152R97-F150 HydrophobicContact CG-CZ 4.24Å; L100-F150 HydrophobicContact CB-CD1 3.82Å; L100-F150 HydrophobicContact CB-CD2 3.94Å; L100-F150 HydrophobicContact CB-CE1 3.5Å; L100-F150 HydrophobicContact CB-CE2 3.64Å; L100-F150 HydrophobicContact CB-CG 4.03Å; L100-F150 HydrophobicContact CB-CZ 3.4Å; L100-F150 HydrophobicContact CD1-CD2 3.76Å; L100-F150 HydrophobicContact CD1-CE2 3.59Å; L100-F150 HydrophobicContact CD1-CZ 4.22Å; L100-F150 HydrophobicContact CG-CD2 4.33Å; L100-F150 HydrophobicContact CG-CE2 4.23Å; L100-F150 HydrophobicContact CG-CZ 4.44Å; N101-F150 WeakPolarHBondContact OD1-CE1 3.29Å; V104-F150 HydrophobicContact CG2-CD1 3.73Å; V104-F150 HydrophobicContact CG2-CE1 4.35Å; E146-F150 HydrophobicContact CG-CE2 4.31Å; E146-F150 WeakPolarHBondContact O-CD2 3.41Å; I147-F150 PolarHBondContact O-N 2.79Å; I147-F150 VanDerWaalsContact O-N 3.15Å; R148-F150 VanDerWaalsContact C-N 3.26Å; F150-F152 HydrophobicContact CB-CD2 4Å; F150-F152 PolarHBondContact O-N 3.27Å
151P98Very high97.4Very high65 Ų6543.5 Ų43.542%0.42225%0.249SC..SBendtrans-74.217.3-171.332.9-38.7000114.9V104 H112V104-P151 HydrophobicContact CG2-CG 3.88Å; H112-P151 CarbonylContact C-O 3.19Å; H112-P151 VanDerWaalsContact C-O 3.22Å; H112-P151 HydrophobicContact CB-CB 4.06Å; H112-P151 HydrophobicContact CB-CG 4.21Å; H112-P151 VanDerWaalsContact CB-O 3.28Å; H112-P151 WeakPolarHBondContact CB-O 3.44Å
152F98.1Very high97.3Very high14 Ų1440.9 Ų40.96%0.06123%0.227CC..SBendtrans-100.7166.1-175.6-56-61.9000112.7I42 A103 V104 I107 H112 T115 V117 F150 Y154I42-F152 HydrophobicContact CD1-CD1 4.18Å; I42-F152 HydrophobicContact CD1-CD2 3.88Å; I42-F152 HydrophobicContact CD1-CE1 4.05Å; I42-F152 HydrophobicContact CD1-CE2 3.75Å; I42-F152 HydrophobicContact CD1-CG 4.09Å; I42-F152 HydrophobicContact CD1-CZ 3.83Å; A103-F152 HydrophobicContact CB-CE2 3.97Å; A103-F152 HydrophobicContact CB-CZ 3.96Å; V104-F152 HydrophobicContact CB-CZ 4.45Å; V104-F152 HydrophobicContact CG2-CE2 3.71Å; V104-F152 HydrophobicContact CG2-CZ 3.82Å; I107-F152 HydrophobicContact CB-CE1 4.31Å; I107-F152 HydrophobicContact CD1-CE1 3.91Å; I107-F152 HydrophobicContact CD1-CZ 4.23Å; H112-F152 HydrophobicContact CB-CD1 4.02Å; H112-F152 HydrophobicContact CB-CE1 4.13Å; H112-F152 AromaticContact CD2-CE1 3.56Å; H112-F152 AromaticContact CG-CE1 3.91Å; H112-F152 WeakPolarHBondContact O-CA 2.97Å; T115-F152 HydrophobicContact CG2-CD1 4.11Å; T115-F152 HydrophobicContact CG2-CE1 4.48Å; V117-F152 HydrophobicContact CG2-CB 3.26Å; V117-F152 HydrophobicContact CG2-CD2 4.02Å; V117-F152 HydrophobicContact CG2-CG 3.83Å; F150-F152 HydrophobicContact CB-CD2 4Å; F150-F152 PolarHBondContact O-N 3.27Å; F152-Y154 PolarHBondContact O-N 3.38Å
153N96.6Very high97.2Very high80 Ų8041.2 Ų41.243%0.42823%0.229SC..EExtended strand (participates in β ladder)trans-82.494.4178-176.713000111.2T115 P116 V117 S155T115-N153 PolarHBondContact O-N 2.98Å; P116-N153 CarbonylContact C-O 3.55Å; P116-N153 VanDerWaalsContact CA-O 3.23Å; P116-N153 WeakPolarHBondContact CA-O 3.31Å; V117-N153 PolarHBondContact N-O 2.86Å; N153-S155 PolarHBondContact O-N 3.49Å; N153-S155 PolarHBondContact O-OG 3.21Å; N153-S155 VanDerWaalsContact O-OG 3.05Å
154Y97.3Very high97.1Very high59 Ų5944 Ų4423%0.23124%0.241CC..EExtended strand (participates in β ladder)trans-60.9120.5176.3174-107.5000111.3I147 R148 F152 G156 A157I147-Y154 HydrophobicContact CB-CD2 3.91Å; I147-Y154 HydrophobicContact CB-CE2 4.32Å; I147-Y154 HydrophobicContact CD1-CE2 4.4Å; I147-Y154 HydrophobicContact CG2-CD2 3.62Å; I147-Y154 HydrophobicContact CG2-CE2 4.41Å; I147-Y154 HydrophobicContact CG2-CG 4.5Å; R148-Y154 HydrophobicContact CG-CD1 3.6Å; R148-Y154 HydrophobicContact CG-CD2 4.26Å; R148-Y154 HydrophobicContact CG-CE1 4.3Å; R148-Y154 HydrophobicContact CG-CG 3.54Å; F152-Y154 PolarHBondContact O-N 3.38Å; Y154-G156 VanDerWaalsContact CZ-CA 3.49Å; Y154-A157 HydrophobicContact CE2-CB 4.33Å; Y154-A157 WeakPolarHBondContact OH-CB 3.41Å; Y154-A157 PolarHBondContact OH-N 3.47Å
155S95.6Very high97.1Very high40 Ų4044.3 Ų44.328%0.2824%0.243SC..EExtended strand (participates in β ladder)trans-115.1-6.9-175.5-54.60000114P116 V117 Y118 N153P116-S155 VanDerWaalsContact CB-OG 3.32Å; P116-S155 WeakPolarHBondContact CB-OG 3.3Å; V117-S155 PolarHBondContact O-N 3.48Å; Y118-S155 VanDerWaalsContact CE2-CB 3.43Å; Y118-S155 WeakPolarHBondContact OH-CB 3.38Å; Y118-S155 PolarHBondContact OH-OG 2.98Å; N153-S155 PolarHBondContact O-N 3.49Å; N153-S155 PolarHBondContact O-OG 3.21Å; N153-S155 VanDerWaalsContact O-OG 3.05Å
156G95.6Very high97.1Very high14 Ų1441 Ų4114%0.14422%0.22CC..EExtended strand (participates in β ladder)trans143.3152.817100000113.9Y118 L119 Y154Y118-G156 WeakPolarHBondContact CA-O 3.5Å; L119-G156 PolarHBondContact N-O 3.1Å; Y154-G156 VanDerWaalsContact CZ-CA 3.49Å
157A97.5Very high97.1Very high14 Ų1440 Ų4012%0.11622%0.216CC..EExtended strand (participates in β ladder)trans-122.4111167.100000106.9L119 V143 Y154L119-A157 HydrophobicContact CB-CB 4.06Å; L119-A157 HydrophobicContact CD2-CB 4.21Å; L119-A157 WeakPolarHBondContact O-CA 3.19Å; V143-A157 HydrophobicContact CG2-CB 4.01Å; Y154-A157 HydrophobicContact CE2-CB 4.33Å; Y154-A157 WeakPolarHBondContact OH-CB 3.41Å; Y154-A157 PolarHBondContact OH-N 3.47Å
158V96.9Very high97.1Very high74 Ų7441 Ų4145%0.44822%0.22SC..EExtended strand (participates in β ladder)trans-136157.1-170.2-600000111.4L119 A121 L160L119-V158 PolarHBondContact O-N 2.91Å; A121-V158 PolarHBondContact N-O 2.85Å; V158-L160 HydrophobicContact CG2-CD1 4.13Å
159I98.2Very high97.1Very high44 Ų4434.1 Ų34.123%0.22619%0.194CC..EExtended strand (participates in β ladder)trans-88.2117.1168.8-53.3177.6000107.2A121 M125 R126 N129 L140A121-I159 CarbonylContact O-C 3.43Å; A121-I159 WeakPolarHBondContact O-CA 3.2Å; M125-I159 HydrophobicContact CB-CD1 4.06Å; M125-I159 HydrophobicContact CB-CG1 4Å; M125-I159 HydrophobicContact CB-CG2 4.38Å; R126-I159 HydrophobicContact CB-CG2 4.39Å; R126-I159 HydrophobicContact CG-CG2 3.38Å; N129-I159 HydrophobicContact CB-CD1 3.91Å; L140-I159 HydrophobicContact CD1-CD1 4.08Å; L140-I159 HydrophobicContact CD1-CG1 3.82Å; L140-I159 HydrophobicContact CD2-CG1 4.43Å
160L96.4Very high97.1Very high3 Ų330.1 Ų30.12%0.01617%0.166CC..PPolyproline II helixtrans-66.9138.5177.2-95.568000110.4A121 R126 V158 Y168 W444A121-L160 PolarHBondContact O-N 2.78Å; R126-L160 PolarHBondContact NE-O 2.85Å; V158-L160 HydrophobicContact CG2-CD1 4.13Å; L160-Y168 HydrophobicContact CD2-CD2 4.2Å; L160-Y168 HydrophobicContact CD2-CE2 4.46Å; L160-W444 HydrophobicContact CD1-CH2 4.25Å; L160-W444 HydrophobicContact CD1-CZ3 4.4Å; L160-W444 HydrophobicContact CD2-CD2 3.77Å; L160-W444 HydrophobicContact CD2-CE3 3.49Å; L160-W444 VanDerWaalsContact CD2-CE3 3.49Å; L160-W444 HydrophobicContact CD2-CH2 3.98Å; L160-W444 HydrophobicContact CD2-CZ2 4.15Å; L160-W444 HydrophobicContact CD2-CZ3 3.63Å
161D95.6Very high97Very high76 Ų7629 Ų2941%0.40616%0.161SC..PPolyproline II helixtrans-65.1148.8165.2178.560.1000110.5Q163 E164 E165D161-Q163 VanDerWaalsContact C-N 3.28Å; D161-Q163 PolarHBondContact O-N 2.79Å; D161-Q163 PolarHBondContact OD1-OE1 2.92Å; D161-Q163 VanDerWaalsContact OD2-CB 3.28Å; D161-Q163 WeakPolarHBondContact OD2-CB 3.17Å; D161-Q163 PolarHBondContact OD2-N 2.73Å; D161-Q163 VanDerWaalsContact OD2-N 3.14Å; D161-Q163 PolarHBondContact OD2-OE1 2.81Å; D161-E164 HydrophobicContact CB-CB 4.29Å; D161-E164 HydrophobicContact CB-CG 4.04Å; D161-E164 WeakPolarHBondContact O-CB 3.49Å; D161-E164 PolarHBondContact O-N 3.49Å; D161-E165 PolarHBondContact O-N 3.43Å
162G95.8Very high96.9Very high1 Ų126 Ų261%0.0114%0.141CC..Hα-helixtrans-63.4-35.5-175.500000113.1G166 S239G162-G166 PolarHBondContact O-N 2.92Å; G162-G166 VanDerWaalsContact O-N 3.12Å; G162-S239 WeakPolarHBondContact O-CB 3.4Å
163Q95.3Very high96.8Very high39 Ų3925.3 Ų25.318%0.18214%0.138CC..Hα-helixtrans-73.2-32.8178.9-69.381.6-38.200110.7D161 A167 A221 T237D161-Q163 VanDerWaalsContact C-N 3.28Å; D161-Q163 PolarHBondContact O-N 2.79Å; D161-Q163 PolarHBondContact OD1-OE1 2.92Å; D161-Q163 VanDerWaalsContact OD2-CB 3.28Å; D161-Q163 WeakPolarHBondContact OD2-CB 3.17Å; D161-Q163 PolarHBondContact OD2-N 2.73Å; D161-Q163 VanDerWaalsContact OD2-N 3.14Å; D161-Q163 PolarHBondContact OD2-OE1 2.81Å; Q163-A167 WeakPolarHBondContact O-CB 3.33Å; Q163-A167 PolarHBondContact O-N 2.82Å; Q163-A221 PolarHBondContact NE2-O 3.08Å; Q163-T237 HydrophobicContact CB-CG2 3.6Å; Q163-T237 HydrophobicContact CG-CG2 3.78Å
164E96.2Very high96.8Very high57 Ų5721.5 Ų21.527%0.26612%0.118SC..Hα-helixtrans-65.1-47.9172.2-70.3-172.3140.800111.6D161 G166 A167 Y168 K224D161-E164 HydrophobicContact CB-CB 4.29Å; D161-E164 HydrophobicContact CB-CG 4.04Å; D161-E164 WeakPolarHBondContact O-CB 3.49Å; D161-E164 PolarHBondContact O-N 3.49Å; E164-G166 VanDerWaalsContact C-N 3.32Å; E164-G166 PolarHBondContact O-N 3.39Å; E164-A167 PolarHBondContact O-N 2.95Å; E164-Y168 HydrophobicContact CB-CD2 4.15Å; E164-Y168 HydrophobicContact CB-CE2 3.66Å; E164-Y168 HydrophobicContact CG-CE2 4.31Å; E164-Y168 WeakPolarHBondContact O-CB 3.38Å; E164-Y168 WeakPolarHBondContact O-CD2 3.48Å; E164-Y168 VanDerWaalsContact O-CG 3.22Å; E164-Y168 PolarHBondContact O-N 2.61Å; E164-K224 IonicContact OE1-NZ 3.84Å
165E98Very high96.6Very high7 Ų720 Ų203%0.03311%0.112CC..Hα-helixtrans-55-47.2175.5-170.9178.8143.300111.5T122 R126 D161 G169 Q208 W444T122-E165 WeakPolarHBondContact CB-OE2 3.41Å; T122-E165 VanDerWaalsContact CG2-CD 3.44Å; T122-E165 HydrophobicContact CG2-CG 4.09Å; T122-E165 VanDerWaalsContact CG2-OE2 3.3Å; T122-E165 WeakPolarHBondContact CG2-OE2 3.31Å; R126-E165 IonicContact CZ-OE2 3.54Å; R126-E165 IonicContact NH2-OE1 3.4Å; R126-E165 IonicContact NH2-OE2 2.74Å; R126-E165 PolarHBondContact NH2-OE2 2.89Å; D161-E165 PolarHBondContact O-N 3.43Å; E165-G169 PolarHBondContact O-N 3.32Å; E165-Q208 PolarHBondContact OE1-NE2 2.8Å; E165-Q208 PolarHBondContact OE2-NE2 2.89Å; E165-W444 HydrophobicContact CG-CB 4.42Å; E165-W444 HydrophobicContact CG-CG 4.14Å; E165-W444 WeakPolarHBondContact O-CB 3.27Å
166G98Very high96.4Very high3 Ų319.7 Ų19.73%0.03111%0.107CC..Hα-helixtrans-64.8-46.4176.600000113.5G162 E164 G169 W170 T210G162-G166 PolarHBondContact O-N 2.92Å; G162-G166 VanDerWaalsContact O-N 3.12Å; E164-G166 VanDerWaalsContact C-N 3.32Å; E164-G166 PolarHBondContact O-N 3.39Å; G166-G169 PolarHBondContact O-N 3.06Å; G166-W170 PolarHBondContact O-N 3.47Å; G166-T210 WeakPolarHBondContact CA-OG1 3.45Å; G166-T210 PolarHBondContact O-OG1 2.85Å
167A97.8Very high96.2Very high0 Ų022.1 Ų22.10%012%0.117CC..Hα-helixtrans-62.3-45.6179.100000112.2Q163 E164 W170 V171 K224 L226 L235Q163-A167 WeakPolarHBondContact O-CB 3.33Å; Q163-A167 PolarHBondContact O-N 2.82Å; E164-A167 PolarHBondContact O-N 2.95Å; A167-W170 WeakPolarHBondContact O-CB 3.48Å; A167-W170 PolarHBondContact O-N 2.96Å; A167-V171 WeakPolarHBondContact O-CG2 3.14Å; A167-V171 PolarHBondContact O-N 3.37Å; A167-K224 HydrophobicContact CB-CB 4.49Å; A167-K224 HydrophobicContact CB-CG 3.94Å; A167-L226 HydrophobicContact CB-CD1 4.35Å; A167-L235 HydrophobicContact CB-CD1 4.23Å
168Y97.8Very high95.9Very high19 Ų1929.8 Ų29.88%0.07514%0.142CC..Hα-helixtrans-67.8-36.1177.4-62.1-39.6000111.9L160 E164 W170 V171 T172 W444 G447 Y448 V451L160-Y168 HydrophobicContact CD2-CD2 4.2Å; L160-Y168 HydrophobicContact CD2-CE2 4.46Å; E164-Y168 HydrophobicContact CB-CD2 4.15Å; E164-Y168 HydrophobicContact CB-CE2 3.66Å; E164-Y168 HydrophobicContact CG-CE2 4.31Å; E164-Y168 WeakPolarHBondContact O-CB 3.38Å; E164-Y168 WeakPolarHBondContact O-CD2 3.48Å; E164-Y168 VanDerWaalsContact O-CG 3.22Å; E164-Y168 PolarHBondContact O-N 2.61Å; Y168-W170 VanDerWaalsContact C-N 3.32Å; Y168-W170 PolarHBondContact O-N 2.91Å; Y168-V171 PolarHBondContact O-N 3.16Å; Y168-T172 PolarHBondContact O-N 3.14Å; Y168-T172 PolarHBondContact O-OG1 2.91Å; Y168-W444 WeakPolarHBondContact CB-O 3.42Å; Y168-G447 WeakPolarHBondContact O-CA 3.11Å; Y168-Y448 AromaticContact CD2-CD2 3.9Å; Y168-Y448 HydrophobicContact CD2-CD2 3.9Å; Y168-Y448 AromaticContact CE2-CD2 3.49Å; Y168-Y448 HydrophobicContact CE2-CD2 3.49Å; Y168-Y448 VanDerWaalsContact CE2-CD2 3.49Å; Y168-Y448 HydrophobicContact CE2-CE2 4.24Å; Y168-Y448 HydrophobicContact CE2-CG 4.46Å; Y168-Y448 AromaticContact CZ-CD2 3.86Å; Y168-V451 HydrophobicContact CD1-CB 4.43Å; Y168-V451 HydrophobicContact CD1-CG2 4Å; Y168-V451 HydrophobicContact CE1-CB 3.95Å; Y168-V451 HydrophobicContact CE1-CG1 4.07Å; Y168-V451 HydrophobicContact CE1-CG2 3.83Å
169G97.4Very high95.7Very high1 Ų127.5 Ų27.51%0.0113%0.128CC..Hα-helixtrans-57.9-43.2169.600000112.5E165 G166 V171 T172 V173E165-G169 PolarHBondContact O-N 3.32Å; G166-G169 PolarHBondContact O-N 3.06Å; G169-V171 PolarHBondContact O-N 3.15Å; G169-T172 WeakPolarHBondContact O-CB 3.17Å; G169-T172 PolarHBondContact O-N 3.41Å; G169-V173 WeakPolarHBondContact O-CG2 3.46Å; G169-V173 PolarHBondContact O-N 2.85Å
170W97.9Very high95.3Very high0 Ų025.5 Ų25.50%012%0.117CC..Hα-helixtrans-63.2-38.8174.5178.392.2000113.4G166 A167 Y168 V173 N174 F180 T196 V197 A199 T210 V212 Y233 L235G166-W170 PolarHBondContact O-N 3.47Å; A167-W170 WeakPolarHBondContact O-CB 3.48Å; A167-W170 PolarHBondContact O-N 2.96Å; Y168-W170 VanDerWaalsContact C-N 3.32Å; Y168-W170 PolarHBondContact O-N 2.91Å; W170-V173 PolarHBondContact O-N 3.24Å; W170-N174 PolarHBondContact NE1-ND2 3.07Å; W170-N174 VanDerWaalsContact NE1-ND2 3.19Å; W170-N174 PolarHBondContact O-N 2.93Å; W170-N174 VanDerWaalsContact O-N 3.1Å; W170-N174 PolarHBondContact O-ND2 3.11Å; W170-F180 HydrophobicContact CE3-CZ 4.3Å; W170-F180 AromaticContact CH2-CE1 3.7Å; W170-F180 HydrophobicContact CH2-CE1 3.7Å; W170-F180 AromaticContact CH2-CZ 3.92Å; W170-F180 HydrophobicContact CH2-CZ 3.92Å; W170-F180 AromaticContact CZ3-CE1 3.85Å; W170-F180 HydrophobicContact CZ3-CE1 3.85Å; W170-F180 AromaticContact CZ3-CZ 3.6Å; W170-F180 HydrophobicContact CZ3-CZ 3.6Å; W170-T196 HydrophobicContact CH2-CG2 3.99Å; W170-T196 HydrophobicContact CZ2-CG2 3.57Å; W170-V197 PolarHBondContact NE1-O 3.48Å; W170-A199 HydrophobicContact CB-CB 3.9Å; W170-T210 HydrophobicContact CB-CG2 3.54Å; W170-T210 HydrophobicContact CG-CG2 3.87Å; W170-V212 HydrophobicContact CH2-CG2 4.32Å; W170-V212 HydrophobicContact CZ2-CG2 3.61Å; W170-Y233 AromaticContact CH2-CD1 3.6Å; W170-Y233 HydrophobicContact CH2-CD1 3.6Å; W170-Y233 HydrophobicContact CH2-CE1 4.11Å; W170-Y233 AromaticContact CH2-CG 3.86Å; W170-Y233 HydrophobicContact CH2-CG 3.86Å; W170-Y233 HydrophobicContact CZ2-CD1 4.4Å; W170-Y233 HydrophobicContact CZ3-CD1 4.48Å; W170-Y233 HydrophobicContact CZ3-CG 4.32Å; W170-L235 HydrophobicContact CD2-CD1 3.95Å; W170-L235 HydrophobicContact CD2-CD2 3.92Å; W170-L235 HydrophobicContact CE3-CD1 3.67Å; W170-L235 HydrophobicContact CE3-CD2 3.99Å; W170-L235 HydrophobicContact CE3-CG 4.49Å; W170-L235 HydrophobicContact CG-CD1 4.38Å; W170-L235 HydrophobicContact CH2-CD2 3.8Å; W170-L235 HydrophobicContact CZ2-CD2 3.7Å; W170-L235 HydrophobicContact CZ3-CD1 4.16Å; W170-L235 HydrophobicContact CZ3-CD2 3.94Å
171V97Very high94.8Very high0 Ų025.9 Ų25.90%012%0.119CC..Hα-helixtrans-61.4-46.6173.7174.80000110.4A167 Y168 G169 V173 N174 Y175 F180 L226 L228 L450 V451A167-V171 WeakPolarHBondContact O-CG2 3.14Å; A167-V171 PolarHBondContact O-N 3.37Å; Y168-V171 PolarHBondContact O-N 3.16Å; G169-V171 PolarHBondContact O-N 3.15Å; V171-V173 PolarHBondContact O-N 2.81Å; V171-N174 PolarHBondContact O-N 3.1Å; V171-Y175 WeakPolarHBondContact O-CB 3.28Å; V171-Y175 PolarHBondContact O-N 3.02Å; V171-F180 HydrophobicContact CG1-CE2 4.06Å; V171-F180 WeakPolarHBondContact O-CE2 3.32Å; V171-L226 HydrophobicContact CG2-CD1 3.56Å; V171-L228 HydrophobicContact CB-CD1 4.29Å; V171-L228 HydrophobicContact CG1-CD1 3.69Å; V171-L228 HydrophobicContact CG2-CD1 3.62Å; V171-L450 HydrophobicContact CG1-CB 4.16Å; V171-L450 HydrophobicContact CG1-CD1 3.91Å; V171-V451 HydrophobicContact CG2-CG2 4.48Å
172T96.3Very high94.1Very high0 Ų027 Ų270%012%0.12CC..Hα-helixtrans-56.8-51.1177.2-63.30000111.7Y168 G169 N174 Y175 L176 V442 G443 L446 G447Y168-T172 PolarHBondContact O-N 3.14Å; Y168-T172 PolarHBondContact O-OG1 2.91Å; G169-T172 WeakPolarHBondContact O-CB 3.17Å; G169-T172 PolarHBondContact O-N 3.41Å; T172-N174 PolarHBondContact O-N 3.07Å; T172-Y175 PolarHBondContact O-N 3.18Å; T172-L176 HydrophobicContact CG2-CD1 3.66Å; T172-L176 HydrophobicContact CG2-CG 4.28Å; T172-L176 WeakPolarHBondContact O-CB 3.39Å; T172-L176 VanDerWaalsContact O-CG 3.31Å; T172-L176 WeakPolarHBondContact O-CG 3.36Å; T172-L176 PolarHBondContact O-N 3.31Å; T172-V442 HydrophobicContact CG2-CG1 4.37Å; T172-G443 WeakPolarHBondContact CB-O 3.39Å; T172-G443 VanDerWaalsContact CG2-O 3.3Å; T172-G443 WeakPolarHBondContact CG2-O 3.12Å; T172-G443 PolarHBondContact OG1-O 3.42Å; T172-L446 HydrophobicContact CG2-CB 4.09Å; T172-L446 HydrophobicContact CG2-CD2 4.17Å; T172-G447 WeakPolarHBondContact OG1-CA 3Å; T172-G447 PolarHBondContact OG1-N 2.95Å
173V95.9Very high93.2Very high0 Ų033.5 Ų33.50%015%0.146CC..Hα-helixtrans-54.9-51.6179.6168.30000110.7G169 W170 V171 Y175 L176 L177 V197 A199 M350 F352 V442G169-V173 WeakPolarHBondContact O-CG2 3.46Å; G169-V173 PolarHBondContact O-N 2.85Å; W170-V173 PolarHBondContact O-N 3.24Å; V171-V173 PolarHBondContact O-N 2.81Å; V173-Y175 PolarHBondContact O-N 2.88Å; V173-L176 PolarHBondContact O-N 3.39Å; V173-L177 HydrophobicContact CG1-CD1 4.02Å; V173-L177 WeakPolarHBondContact O-CB 3.45Å; V173-L177 VanDerWaalsContact O-CG 3.27Å; V173-L177 WeakPolarHBondContact O-CG 3.13Å; V173-L177 PolarHBondContact O-N 3.04Å; V173-V197 HydrophobicContact CG1-CB 4.04Å; V173-V197 HydrophobicContact CG1-CG1 3.83Å; V173-A199 HydrophobicContact CG2-CB 4.15Å; V173-M350 HydrophobicContact CG1-CB 3.76Å; V173-M350 HydrophobicContact CG1-SD 4.15Å; V173-M350 HydrophobicContact CG2-CB 4.1Å; V173-M350 HydrophobicContact CG2-CG 4.32Å; V173-M350 HydrophobicContact CG2-SD 3.95Å; V173-F352 HydrophobicContact CG2-CD1 4.33Å; V173-F352 HydrophobicContact CG2-CE1 4.02Å; V173-V442 HydrophobicContact CG2-CG1 3.82Å
174N95.4Very high92.2Very high0 Ų032.9 Ų32.90%014%0.144CC..Hα-helixtrans-73.1-30.1-175.6-76.7-75.5000113.5W170 V171 T172 R178 N179 F180 T196 V197W170-N174 PolarHBondContact NE1-ND2 3.07Å; W170-N174 VanDerWaalsContact NE1-ND2 3.19Å; W170-N174 PolarHBondContact O-N 2.93Å; W170-N174 VanDerWaalsContact O-N 3.1Å; W170-N174 PolarHBondContact O-ND2 3.11Å; V171-N174 PolarHBondContact O-N 3.1Å; T172-N174 PolarHBondContact O-N 3.07Å; N174-R178 PolarHBondContact O-N 3.19Å; N174-N179 HydrophobicContact CB-CB 4.11Å; N174-N179 WeakPolarHBondContact O-CB 3.43Å; N174-N179 PolarHBondContact O-N 3.14Å; N174-N179 PolarHBondContact OD1-ND2 3.15Å; N174-F180 HydrophobicContact CB-CD1 4.4Å; N174-F180 HydrophobicContact CB-CD2 4.43Å; N174-F180 HydrophobicContact CB-CE1 3.73Å; N174-F180 HydrophobicContact CB-CE2 3.75Å; N174-F180 HydrophobicContact CB-CZ 3.36Å; N174-T196 WeakPolarHBondContact OD1-CA 3.3Å; N174-T196 VanDerWaalsContact OD1-CB 3.28Å; N174-T196 WeakPolarHBondContact OD1-CB 3.29Å; N174-V197 PolarHBondContact ND2-O 2.99Å; N174-V197 PolarHBondContact OD1-N 2.93Å
175Y93.8Very high91.1Very high28 Ų2839.9 Ų39.911%0.1117%0.173CC..Hα-helixtrans-66.6-49.9173.1178.5-102.5000111.4V68 V69 V171 T172 V173 L177 R178 F180 Y229 L446 L450V68-Y175 VanDerWaalsContact C-OH 3.32Å; V68-Y175 WeakPolarHBondContact CG1-OH 3.42Å; V69-Y175 PolarHBondContact N-OH 3.3Å; V69-Y175 WeakPolarHBondContact O-CE1 3.5Å; V69-Y175 VanDerWaalsContact O-CZ 3.23Å; V69-Y175 PolarHBondContact O-OH 3Å; V171-Y175 WeakPolarHBondContact O-CB 3.28Å; V171-Y175 PolarHBondContact O-N 3.02Å; T172-Y175 PolarHBondContact O-N 3.18Å; V173-Y175 PolarHBondContact O-N 2.88Å; Y175-L177 VanDerWaalsContact C-N 3.29Å; Y175-L177 PolarHBondContact O-N 3.33Å; Y175-R178 PolarHBondContact O-N 3.12Å; Y175-F180 HydrophobicContact CD2-CD2 4.46Å; Y175-Y229 HydrophobicContact CD2-CE2 4.25Å; Y175-Y229 WeakPolarHBondContact CD2-OH 3.32Å; Y175-Y229 WeakPolarHBondContact CE2-OH 3.41Å; Y175-L446 HydrophobicContact CD1-CD2 3.8Å; Y175-L446 HydrophobicContact CD1-CG 4.4Å; Y175-L446 HydrophobicContact CE1-CD2 4.2Å; Y175-L450 HydrophobicContact CD1-CD1 3.71Å; Y175-L450 HydrophobicContact CD2-CD1 3.76Å; Y175-L450 HydrophobicContact CD2-CD2 3.99Å; Y175-L450 HydrophobicContact CE1-CD1 4.32Å; Y175-L450 HydrophobicContact CE2-CD1 4.39Å; Y175-L450 HydrophobicContact CE2-CD2 3.91Å; Y175-L450 HydrophobicContact CG-CD1 3.38Å; Y175-L450 HydrophobicContact CG-CD2 4.38Å
176L92.2Very high89.7Confident33 Ų3343.7 Ų43.717%0.17320%0.197CC..Hα-helixtrans-65.7-33-178.7-66.1175.2000112.4T172 V173 R178 A437 T440 V442 L446T172-L176 HydrophobicContact CG2-CD1 3.66Å; T172-L176 HydrophobicContact CG2-CG 4.28Å; T172-L176 WeakPolarHBondContact O-CB 3.39Å; T172-L176 VanDerWaalsContact O-CG 3.31Å; T172-L176 WeakPolarHBondContact O-CG 3.36Å; T172-L176 PolarHBondContact O-N 3.31Å; V173-L176 PolarHBondContact O-N 3.39Å; L176-R178 PolarHBondContact O-N 3.31Å; L176-A437 HydrophobicContact CB-CB 3.64Å; L176-A437 HydrophobicContact CD1-CB 3.95Å; L176-A437 HydrophobicContact CG-CB 4.35Å; L176-T440 HydrophobicContact CD1-CG2 4.09Å; L176-T440 HydrophobicContact CD2-CG2 3.82Å; L176-V442 HydrophobicContact CD1-CG2 4.13Å; L176-L446 HydrophobicContact CD1-CD2 4.34Å; L176-L446 HydrophobicContact CD2-CD2 3.73Å; L176-L446 HydrophobicContact CG-CD2 4.01Å
177L91.6Very high88.3Confident66 Ų6645.2 Ų45.235%0.34621%0.213SC..THydrogen-bonded Turntrans-780.1172.8-65.6-179.6000114.2V173 Y175 N179 V197 M350V173-L177 HydrophobicContact CG1-CD1 4.02Å; V173-L177 WeakPolarHBondContact O-CB 3.45Å; V173-L177 VanDerWaalsContact O-CG 3.27Å; V173-L177 WeakPolarHBondContact O-CG 3.13Å; V173-L177 PolarHBondContact O-N 3.04Å; Y175-L177 VanDerWaalsContact C-N 3.29Å; Y175-L177 PolarHBondContact O-N 3.33Å; L177-N179 VanDerWaalsContact C-N 3.26Å; L177-N179 PolarHBondContact O-N 3.07Å; L177-V197 HydrophobicContact CD1-CB 3.95Å; L177-V197 HydrophobicContact CD1-CG1 4.16Å; L177-V197 HydrophobicContact CD1-CG2 3.69Å; L177-M350 HydrophobicContact CD1-CE 4.11Å; L177-M350 HydrophobicContact CD2-CE 4.06Å; L177-M350 HydrophobicContact CG-CE 4.26Å
178R90.8Very high87.1Confident174 Ų17452.5 Ų52.566%0.65724%0.24SC*.THydrogen-bonded Turntrans58.236.2-178.2-51.6-178.9-177.8-174.6-0.3112.9N174 Y175 L176 K182 S192N174-R178 PolarHBondContact O-N 3.19Å; Y175-R178 PolarHBondContact O-N 3.12Å; L176-R178 PolarHBondContact O-N 3.31Å; R178-K182 HydrophobicContact CB-CG 4.35Å; R178-S192 PolarHBondContact O-OG 3.02Å
179N91.5Very high86.1Confident26 Ų2656 Ų5614%0.13925%0.253CS..SBendtrans-81.8-17.3177.7-69.9-20.5000112.8N174 L177 S192N174-N179 HydrophobicContact CB-CB 4.11Å; N174-N179 WeakPolarHBondContact O-CB 3.43Å; N174-N179 PolarHBondContact O-N 3.14Å; N174-N179 PolarHBondContact OD1-ND2 3.15Å; L177-N179 VanDerWaalsContact C-N 3.26Å; L177-N179 PolarHBondContact O-N 3.07Å; N179-S192 WeakPolarHBondContact O-CB 3.25Å
180F90Very high85.2Confident2 Ų260.1 Ų60.11%0.00928%0.275CS..SBendtrans-88-52.4174.8-58.3-42.6000112.7W170 V171 N174 Y175 S192 L228 Y229 Y233W170-F180 HydrophobicContact CE3-CZ 4.3Å; W170-F180 AromaticContact CH2-CE1 3.7Å; W170-F180 HydrophobicContact CH2-CE1 3.7Å; W170-F180 AromaticContact CH2-CZ 3.92Å; W170-F180 HydrophobicContact CH2-CZ 3.92Å; W170-F180 AromaticContact CZ3-CE1 3.85Å; W170-F180 HydrophobicContact CZ3-CE1 3.85Å; W170-F180 AromaticContact CZ3-CZ 3.6Å; W170-F180 HydrophobicContact CZ3-CZ 3.6Å; V171-F180 HydrophobicContact CG1-CE2 4.06Å; V171-F180 WeakPolarHBondContact O-CE2 3.32Å; N174-F180 HydrophobicContact CB-CD1 4.4Å; N174-F180 HydrophobicContact CB-CD2 4.43Å; N174-F180 HydrophobicContact CB-CE1 3.73Å; N174-F180 HydrophobicContact CB-CE2 3.75Å; N174-F180 HydrophobicContact CB-CZ 3.36Å; Y175-F180 HydrophobicContact CD2-CD2 4.46Å; F180-S192 PolarHBondContact O-N 2.92Å; F180-S192 VanDerWaalsContact O-N 3.14Å; F180-L228 HydrophobicContact CE1-CD1 4.46Å; F180-L228 HydrophobicContact CE2-CD1 3.94Å; F180-L228 HydrophobicContact CZ-CD1 3.85Å; F180-Y229 HydrophobicContact CB-CD2 3.6Å; F180-Y229 HydrophobicContact CB-CE2 3.9Å; F180-Y229 HydrophobicContact CD2-CD2 4.3Å; F180-Y229 HydrophobicContact CD2-CE2 4.02Å; F180-Y229 HydrophobicContact CG-CD2 4.15Å; F180-Y229 HydrophobicContact CG-CE2 4.3Å; F180-Y233 HydrophobicContact CD1-CE1 4.35Å; F180-Y233 HydrophobicContact CD1-CE2 4.17Å; F180-Y233 AromaticContact CD1-CZ 3.71Å; F180-Y233 WeakPolarHBondContact CD1-OH 3.38Å; F180-Y233 HydrophobicContact CE1-CE1 4.11Å; F180-Y233 HydrophobicContact CE1-CE2 4.07Å; F180-Y233 AromaticContact CE1-CZ 3.76Å
181I85.5Confident84.2Confident11 Ų1163.3 Ų63.36%0.05630%0.297CS..EExtended strand (participates in β ladder)trans-135.9148.8-175.358.5169.9000111.5V68 W189 L190 Y229V68-I181 HydrophobicContact CG2-CD1 3.83Å; I181-W189 HydrophobicContact CB-CE3 4.17Å; I181-W189 HydrophobicContact CD1-CD2 4.22Å; I181-W189 HydrophobicContact CD1-CE3 3.71Å; I181-W189 HydrophobicContact CD1-CZ3 3.87Å; I181-W189 HydrophobicContact CG1-CE3 4.1Å; I181-W189 HydrophobicContact CG1-CZ3 4.21Å; I181-L190 CarbonylContact C-O 3.56Å; I181-L190 VanDerWaalsContact CA-O 3.28Å; I181-L190 WeakPolarHBondContact CA-O 3.39Å; I181-Y229 HydrophobicContact CD1-CD1 4Å; I181-Y229 HydrophobicContact CD1-CE1 3.58Å; I181-Y229 HydrophobicContact CG1-CE1 4.36Å; I181-Y229 HydrophobicContact CG2-CD1 3.7Å; I181-Y229 HydrophobicContact CG2-CD2 4.11Å; I181-Y229 HydrophobicContact CG2-CE1 4.34Å; I181-Y229 HydrophobicContact CG2-CG 3.59Å
182K82.1Confident83.1Confident99 Ų9964.4 Ų64.443%0.4331%0.305SS..EExtended strand (participates in β ladder)trans-132.5143.9174-72.4174.9174.7157.10109.7R178 W189 L190 S192R178-K182 HydrophobicContact CB-CG 4.35Å; K182-W189 WeakPolarHBondContact O-CA 3.32Å; K182-L190 PolarHBondContact N-O 3.45Å; K182-L190 PolarHBondContact O-N 3.47Å; K182-S192 WeakPolarHBondContact CE-OG 3.08Å; K182-S192 PolarHBondContact NZ-OG 3.37Å
183Y77.1Confident81.7Confident139 Ų13968 Ų6855%0.54534%0.342SS..EExtended strand (participates in β ladder)trans-91.6121.1174.1-156.8-110.3000109.2G187 W189Y183-G187 VanDerWaalsContact CZ-C 3.46Å; Y183-G187 VanDerWaalsContact CZ-CA 3.48Å; Y183-G187 WeakPolarHBondContact OH-CA 3.04Å; Y183-G187 PolarHBondContact OH-O 3.33Å; Y183-W189 AromaticContact CD2-CD2 3.54Å; Y183-W189 HydrophobicContact CD2-CD2 3.54Å; Y183-W189 AromaticContact CD2-CE2 3.46Å; Y183-W189 VanDerWaalsContact CD2-CE2 3.46Å; Y183-W189 AromaticContact CD2-CE3 3.86Å; Y183-W189 HydrophobicContact CD2-CE3 3.86Å; Y183-W189 HydrophobicContact CD2-CG 4.02Å; Y183-W189 HydrophobicContact CD2-CH2 4.05Å; Y183-W189 AromaticContact CD2-CZ2 3.72Å; Y183-W189 HydrophobicContact CD2-CZ2 3.72Å; Y183-W189 HydrophobicContact CD2-CZ3 4.11Å; Y183-W189 AromaticContact CD2-NE1 3.88Å; Y183-W189 HydrophobicContact CE2-CD2 4.24Å; Y183-W189 AromaticContact CE2-CE2 3.86Å; Y183-W189 HydrophobicContact CE2-CG 4.41Å; Y183-W189 HydrophobicContact CE2-CZ2 4.24Å; Y183-W189 AromaticContact CE2-NE1 3.82Å; Y183-W189 HydrophobicContact CG-CE3 4.46Å; Y183-W189 HydrophobicContact CG-CH2 4.41Å; Y183-W189 HydrophobicContact CG-CZ2 4.47Å; Y183-W189 HydrophobicContact CG-CZ3 4.41Å
184D74.4Confident80.5Confident26 Ų2669.8 Ų69.814%0.13936%0.36CS..  trans-80.5168.4179.878.612.8000112.3V186 G187 R188 L190D184-V186 PolarHBondContact O-N 2.77Å; D184-V186 VanDerWaalsContact OD1-C 3.28Å; D184-V186 WeakPolarHBondContact OD1-CA 3.18Å; D184-V186 PolarHBondContact OD1-N 3.27Å; D184-G187 PolarHBondContact O-N 3.27Å; D184-G187 PolarHBondContact OD1-N 2.99Å; D184-R188 PolarHBondContact N-O 2.85Å; D184-R188 PolarHBondContact OD1-N 3.38Å; D184-R188 IonicContact OD2-NE 3.47Å; D184-R188 PolarHBondContact OD2-NE 3.01Å; D184-R188 IonicContact OD2-NH2 3.75Å; D184-L190 HydrophobicContact CB-CD1 3.72Å; D184-L190 HydrophobicContact CB-CG 4.3Å
185F73.2Confident80.2Confident203 Ų20374.1 Ų74.189%0.8940%0.396SS*.THydrogen-bonded Turntrans-70.2-10.8179.966.1-90.5000113.6
186V67.8Low80.3Confident87 Ų8774.3 Ų74.353%0.52740%0.4SS..THydrogen-bonded Turntrans-96.50.6178.8-163.40000110.8D184D184-V186 PolarHBondContact O-N 2.77Å; D184-V186 VanDerWaalsContact OD1-C 3.28Å; D184-V186 WeakPolarHBondContact OD1-CA 3.18Å; D184-V186 PolarHBondContact OD1-N 3.27Å
187G68.6Low80.5Confident35 Ų3573.8 Ų73.836%0.36140%0.399SS..SBendtrans85.930.8177.100000114.6Y183 D184Y183-G187 VanDerWaalsContact CZ-C 3.46Å; Y183-G187 VanDerWaalsContact CZ-CA 3.48Å; Y183-G187 WeakPolarHBondContact OH-CA 3.04Å; Y183-G187 PolarHBondContact OH-O 3.33Å; D184-G187 PolarHBondContact O-N 3.27Å; D184-G187 PolarHBondContact OD1-N 2.99Å
188R73.6Confident80.8Confident154 Ų15470.8 Ų70.858%0.58138%0.384SS*.  trans-122.7143.4179.4-59.3-177.5-64.1-171.6-1.7112.4D184D184-R188 PolarHBondContact N-O 2.85Å; D184-R188 PolarHBondContact OD1-N 3.38Å; D184-R188 IonicContact OD2-NE 3.47Å; D184-R188 PolarHBondContact OD2-NE 3.01Å; D184-R188 IonicContact OD2-NH2 3.75Å
189W75.9Confident81.2Confident92 Ų9262.7 Ų62.735%0.34835%0.353SS..EExtended strand (participates in β ladder)trans-77.9121.6169.6-67.7110.1000110.5Q63 V68 I181 K182 Y183Q63-W189 HydrophobicContact CG-CB 3.83Å; Q63-W189 HydrophobicContact CG-CG 4.07Å; V68-W189 HydrophobicContact CG1-CH2 3.95Å; V68-W189 HydrophobicContact CG1-CZ2 4Å; V68-W189 HydrophobicContact CG2-CZ2 4.14Å; I181-W189 HydrophobicContact CB-CE3 4.17Å; I181-W189 HydrophobicContact CD1-CD2 4.22Å; I181-W189 HydrophobicContact CD1-CE3 3.71Å; I181-W189 HydrophobicContact CD1-CZ3 3.87Å; I181-W189 HydrophobicContact CG1-CE3 4.1Å; I181-W189 HydrophobicContact CG1-CZ3 4.21Å; K182-W189 WeakPolarHBondContact O-CA 3.32Å; Y183-W189 AromaticContact CD2-CD2 3.54Å; Y183-W189 HydrophobicContact CD2-CD2 3.54Å; Y183-W189 AromaticContact CD2-CE2 3.46Å; Y183-W189 VanDerWaalsContact CD2-CE2 3.46Å; Y183-W189 AromaticContact CD2-CE3 3.86Å; Y183-W189 HydrophobicContact CD2-CE3 3.86Å; Y183-W189 HydrophobicContact CD2-CG 4.02Å; Y183-W189 HydrophobicContact CD2-CH2 4.05Å; Y183-W189 AromaticContact CD2-CZ2 3.72Å; Y183-W189 HydrophobicContact CD2-CZ2 3.72Å; Y183-W189 HydrophobicContact CD2-CZ3 4.11Å; Y183-W189 AromaticContact CD2-NE1 3.88Å; Y183-W189 HydrophobicContact CE2-CD2 4.24Å; Y183-W189 AromaticContact CE2-CE2 3.86Å; Y183-W189 HydrophobicContact CE2-CG 4.41Å; Y183-W189 HydrophobicContact CE2-CZ2 4.24Å; Y183-W189 AromaticContact CE2-NE1 3.82Å; Y183-W189 HydrophobicContact CG-CE3 4.46Å; Y183-W189 HydrophobicContact CG-CH2 4.41Å; Y183-W189 HydrophobicContact CG-CZ2 4.47Å; Y183-W189 HydrophobicContact CG-CZ3 4.41Å
190L77.6Confident81.6Confident87 Ų8761.4 Ų61.446%0.45535%0.347SS..EExtended strand (participates in β ladder)trans-111.7147.6174.5-62.3174.5000109.9I181 K182 D184 S192I181-L190 CarbonylContact C-O 3.56Å; I181-L190 VanDerWaalsContact CA-O 3.28Å; I181-L190 WeakPolarHBondContact CA-O 3.39Å; K182-L190 PolarHBondContact N-O 3.45Å; K182-L190 PolarHBondContact O-N 3.47Å; D184-L190 HydrophobicContact CB-CD1 3.72Å; D184-L190 HydrophobicContact CB-CG 4.3Å; L190-S192 PolarHBondContact O-N 3.17Å
191S77.3Confident82Confident68 Ų6861.9 Ų61.948%0.47635%0.349SS..EExtended strand (participates in β ladder)trans-64.3134.1165-177.50000108.7G193S191-G193 PolarHBondContact O-N 3.24Å
192S74.1Confident82.5Confident22 Ų2261.4 Ų61.415%0.15435%0.347CS..  trans-66-28.8-177.5-172.80000112.4R178 N179 F180 K182 L190 G194R178-S192 PolarHBondContact O-OG 3.02Å; N179-S192 WeakPolarHBondContact O-CB 3.25Å; F180-S192 PolarHBondContact O-N 2.92Å; F180-S192 VanDerWaalsContact O-N 3.14Å; K182-S192 WeakPolarHBondContact CE-OG 3.08Å; K182-S192 PolarHBondContact NZ-OG 3.37Å; L190-S192 PolarHBondContact O-N 3.17Å; S192-G194 PolarHBondContact O-N 2.81Å
193G67.7Low83.2Confident76 Ų7657.7 Ų57.778%0.78434%0.337SS*.  trans596.3-174.600000114.7S191S191-G193 PolarHBondContact O-N 3.24Å
194G71.1Confident84Confident37 Ų3751.6 Ų51.638%0.38132%0.316SS..PPolyproline II helixtrans-85.1159-174.600000112.7S192S192-G194 PolarHBondContact O-N 2.81Å
195A89.2Confident85.1Confident92 Ų9250.4 Ų50.476%0.7631%0.31SS*.PPolyproline II helixtrans-61.2138.717100000110.5
196T95.1Very high86.3Confident32 Ų3240.8 Ų40.820%0.19627%0.268CS..PPolyproline II helixtrans-82154.7175.154.80000111W170 N174 V212 Y233W170-T196 HydrophobicContact CH2-CG2 3.99Å; W170-T196 HydrophobicContact CZ2-CG2 3.57Å; N174-T196 WeakPolarHBondContact OD1-CA 3.3Å; N174-T196 VanDerWaalsContact OD1-CB 3.28Å; N174-T196 WeakPolarHBondContact OD1-CB 3.29Å; T196-V212 WeakPolarHBondContact OG1-CG2 3.44Å; T196-Y233 HydrophobicContact CG2-CE1 4.12Å
197V97Very high87.8Confident22 Ų2236.7 Ų36.713%0.13324%0.243CC..PPolyproline II helixtrans-99.3133.6177.9173.80000109W170 V173 N174 L177 S348 M350W170-V197 PolarHBondContact NE1-O 3.48Å; V173-V197 HydrophobicContact CG1-CB 4.04Å; V173-V197 HydrophobicContact CG1-CG1 3.83Å; N174-V197 PolarHBondContact ND2-O 2.99Å; N174-V197 PolarHBondContact OD1-N 2.93Å; L177-V197 HydrophobicContact CD1-CB 3.95Å; L177-V197 HydrophobicContact CD1-CG1 4.16Å; L177-V197 HydrophobicContact CD1-CG2 3.69Å; V197-S348 CarbonylContact C-O 3.59Å; V197-S348 WeakPolarHBondContact CA-O 3.42Å; V197-S348 WeakPolarHBondContact CG1-O 3.32Å; V197-M350 HydrophobicContact CG1-CB 4.1Å
198G98.3Very high89.2Confident3 Ų335 Ų353%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-67.8156.317300000112.1T210 S348 F349 M350G198-T210 CarbonylContact C-O 3.56Å; G198-T210 VanDerWaalsContact CA-O 3.31Å; G198-T210 WeakPolarHBondContact CA-O 3.3Å; G198-S348 PolarHBondContact N-O 3.35Å; G198-F349 CarbonylContact O-C 3.57Å; G198-F349 WeakPolarHBondContact O-CA 3.01Å; G198-M350 PolarHBondContact O-N 3.2Å
199A98.6Very high90.5Very high3 Ų327.7 Ų27.73%0.02520%0.198CC..EExtended strand (participates in β ladder)trans-118129.2-179.800000110.3W170 V173 T210 F352W170-A199 HydrophobicContact CB-CB 3.9Å; V173-A199 HydrophobicContact CG2-CB 4.15Å; A199-T210 PolarHBondContact N-O 3.38Å; A199-T210 PolarHBondContact O-N 2.89Å; A199-F352 HydrophobicContact CB-CE1 4.03Å
200L98.8Very high91.5Very high0 Ų023.3 Ų23.30%018%0.182CC..EExtended strand (participates in β ladder)trans-118.2113.4171.4-54.3176.6000108.3Q208 I209 F349 M350 A351 F352 F355 L417 Y421 F423 I431L200-Q208 WeakPolarHBondContact CA-O 3.11Å; L200-I209 HydrophobicContact CD2-CB 3.82Å; L200-I209 HydrophobicContact CD2-CD1 3.77Å; L200-I209 HydrophobicContact CD2-CG1 3.57Å; L200-F349 HydrophobicContact CD1-CB 4.23Å; L200-F349 HydrophobicContact CD1-CD1 4.33Å; L200-F349 HydrophobicContact CD2-CD1 3.87Å; L200-F349 HydrophobicContact CD2-CE1 4.25Å; L200-F349 HydrophobicContact CG-CB 4.33Å; L200-F349 HydrophobicContact CG-CD1 3.87Å; L200-F349 HydrophobicContact CG-CG 4.46Å; L200-M350 PolarHBondContact N-O 3.47Å; L200-A351 HydrophobicContact CB-CB 4.02Å; L200-A351 HydrophobicContact CD1-CB 4.19Å; L200-A351 WeakPolarHBondContact O-CA 3.5Å; L200-F352 WeakPolarHBondContact O-CD1 3.29Å; L200-F352 PolarHBondContact O-N 2.6Å; L200-F355 HydrophobicContact CB-CD2 3.87Å; L200-F355 HydrophobicContact CB-CE2 3.57Å; L200-F355 HydrophobicContact CB-CZ 4.35Å; L200-F355 WeakPolarHBondContact O-CD2 3.27Å; L200-L417 HydrophobicContact CD1-CD2 3.93Å; L200-Y421 HydrophobicContact CD2-CD2 4.17Å; L200-Y421 HydrophobicContact CD2-CE2 4.1Å; L200-F423 HydrophobicContact CD1-CE2 3.86Å; L200-F423 HydrophobicContact CD1-CZ 3.98Å; L200-F423 HydrophobicContact CD2-CE2 4.42Å; L200-I431 HydrophobicContact CD1-CG2 4.35Å
201D98.3Very high92.5Very high11 Ų1119.3 Ų19.36%0.05916%0.16CC..EExtended strand (participates in β ladder)trans-108.7133.3176.6-164.4-7.2000109.6T207 Q208 F352 S353D201-T207 CarbonylContact O-C 3.55Å; D201-T207 WeakPolarHBondContact O-CA 3.26Å; D201-T207 WeakPolarHBondContact O-CB 3.45Å; D201-T207 PolarHBondContact O-OG1 3.03Å; D201-Q208 HydrophobicContact CB-CB 4.17Å; D201-Q208 PolarHBondContact N-O 2.98Å; D201-Q208 PolarHBondContact O-N 2.89Å; D201-F352 HydrophobicContact CB-CD2 4.38Å; D201-F352 HydrophobicContact CB-CE1 4.33Å; D201-F352 HydrophobicContact CB-CE2 3.59Å; D201-F352 HydrophobicContact CB-CZ 3.55Å; D201-F352 VanDerWaalsContact OD2-CE2 3.31Å; D201-F352 WeakPolarHBondContact OD2-CE2 3.33Å; D201-S353 WeakPolarHBondContact OD1-CB 3.02Å; D201-S353 PolarHBondContact OD1-OG 3.44Å
202F97.5Very high93.4Very high1 Ų118.5 Ų18.50%0.00415%0.153CC..EExtended strand (participates in β ladder)trans-125.890.6176.1-164.5-176.5000109.4Y243 Q245 L248 S353 A354 F355 I358 L416F202-Y243 VanDerWaalsContact CE2-O 3.23Å; F202-Y243 WeakPolarHBondContact CE2-O 3.27Å; F202-Q245 HydrophobicContact CD2-CB 4.43Å; F202-Q245 HydrophobicContact CE2-CB 3.97Å; F202-Q245 HydrophobicContact CZ-CB 4.05Å; F202-L248 HydrophobicContact CE2-CD1 4.14Å; F202-L248 HydrophobicContact CZ-CD1 4.07Å; F202-S353 VanDerWaalsContact O-CB 3.26Å; F202-S353 WeakPolarHBondContact O-CB 3.39Å; F202-A354 HydrophobicContact CB-CB 3.95Å; F202-A354 HydrophobicContact CD1-CB 3.93Å; F202-A354 HydrophobicContact CG-CB 3.88Å; F202-A354 WeakPolarHBondContact O-CB 3.42Å; F202-A354 PolarHBondContact O-N 3.05Å; F202-F355 HydrophobicContact CB-CD1 4.33Å; F202-F355 HydrophobicContact CB-CD2 3.41Å; F202-F355 VanDerWaalsContact CB-CD2 3.41Å; F202-F355 HydrophobicContact CB-CE1 4.41Å; F202-F355 HydrophobicContact CB-CE2 3.52Å; F202-F355 HydrophobicContact CB-CG 3.83Å; F202-F355 HydrophobicContact CB-CZ 4.01Å; F202-F355 AromaticContact CD1-CD1 3.97Å; F202-F355 HydrophobicContact CD1-CD1 3.97Å; F202-F355 AromaticContact CD1-CE1 3.94Å; F202-F355 HydrophobicContact CD1-CE1 3.94Å; F202-F355 HydrophobicContact CD1-CG 4.24Å; F202-F355 HydrophobicContact CD1-CZ 4.2Å; F202-F355 HydrophobicContact CG-CD2 4.41Å; F202-F355 HydrophobicContact CG-CE1 4.48Å; F202-F355 HydrophobicContact CG-CE2 4.29Å; F202-F355 HydrophobicContact CG-CZ 4.3Å; F202-I358 HydrophobicContact CD1-CD1 4.11Å; F202-I358 HydrophobicContact CE1-CD1 3.81Å; F202-L416 HydrophobicContact CD1-CD2 4.46Å; F202-L416 HydrophobicContact CE1-CD2 4.24Å; F202-L416 HydrophobicContact CE2-CD2 4.39Å; F202-L416 HydrophobicContact CZ-CD2 4.2Å
203G95.8Very high94.3Very high22 Ų2218.5 Ų18.523%0.22715%0.152CC..  trans-82.4-175.9176.400000112.9S206 G244 Q245G203-S206 CarbonylContact C-O 3.58Å; G203-S206 WeakPolarHBondContact CA-O 3.32Å; G203-S206 PolarHBondContact N-O 3.19Å; G203-G244 CarbonylContact O-C 3.57Å; G203-G244 WeakPolarHBondContact O-CA 3.36Å; G203-Q245 PolarHBondContact O-N 3.24Å
204G95.1Very high95.3Very high10 Ų1024.6 Ų24.610%0.10316%0.16CC..SBendtrans-73.9-33.1177.900000113.6S48 G244 Q245 N246 Q247S48-G204 WeakPolarHBondContact OG-CA 3.29Å; G204-G244 CarbonylContact O-C 3.52Å; G204-G244 WeakPolarHBondContact O-CA 3.31Å; G204-Q245 PolarHBondContact O-N 3.19Å; G204-N246 WeakPolarHBondContact O-CA 3.44Å; G204-N246 WeakPolarHBondContact O-CB 3.28Å; G204-N246 PolarHBondContact O-N 2.85Å; G204-Q247 PolarHBondContact O-N 2.67Å
205A97.7Very high96.3Very high2 Ų225.9 Ų25.92%0.01716%0.156CC..SBendtrans-117.6-17.8-174.700000115.9S48 A123 L127 C242 G244 Q247S48-A205 PolarHBondContact OG-N 3.34Å; A123-A205 HydrophobicContact CB-CB 3.52Å; L127-A205 HydrophobicContact CD1-CB 3.79Å; A205-C242 WeakPolarHBondContact O-CA 3.33Å; A205-C242 PolarHBondContact O-N 3.27Å; A205-G244 PolarHBondContact O-N 2.91Å; A205-Q247 HydrophobicContact CB-CG 3.96Å
206S98.5Very high96.5Very high1 Ų129.8 Ų29.81%0.00716%0.156CC..EExtended strand (participates in β ladder)trans-140.7168.7170.259.10000111.5A123 R126 G203 Q208 F240 G244A123-S206 VanDerWaalsContact CB-OG 3.26Å; A123-S206 WeakPolarHBondContact CB-OG 3.44Å; R126-S206 PolarHBondContact NH2-OG 2.82Å; G203-S206 CarbonylContact C-O 3.58Å; G203-S206 WeakPolarHBondContact CA-O 3.32Å; G203-S206 PolarHBondContact N-O 3.19Å; S206-Q208 PolarHBondContact OG-NE2 2.93Å; S206-F240 VanDerWaalsContact CA-O 3.26Å; S206-F240 WeakPolarHBondContact CA-O 3.33Å; S206-F240 WeakPolarHBondContact CB-O 3.4Å; S206-G244 WeakPolarHBondContact O-CA 3.17Å
207T98.6Very high96.5Very high0 Ų028.8 Ų28.80%015%0.15CC..EExtended strand (participates in β ladder)trans-130.6149.2165.61800000109.4D201 S239 F240 Y243 L416 Y421D201-T207 CarbonylContact O-C 3.55Å; D201-T207 WeakPolarHBondContact O-CA 3.26Å; D201-T207 WeakPolarHBondContact O-CB 3.45Å; D201-T207 PolarHBondContact O-OG1 3.03Å; T207-S239 CarbonylContact O-C 3.54Å; T207-S239 WeakPolarHBondContact O-CA 3.32Å; T207-F240 HydrophobicContact CG2-CB 3.98Å; T207-F240 HydrophobicContact CG2-CD2 4.36Å; T207-F240 PolarHBondContact N-O 2.98Å; T207-F240 PolarHBondContact O-N 3.02Å; T207-Y243 WeakPolarHBondContact CG2-O 3.45Å; T207-L416 HydrophobicContact CG2-CD1 4.28Å; T207-L416 HydrophobicContact CG2-CD2 4.06Å; T207-Y421 VanDerWaalsContact CG2-OH 3.24Å; T207-Y421 WeakPolarHBondContact CG2-OH 3.41Å; T207-Y421 PolarHBondContact OG1-OH 3.26Å
208Q98.7Very high96.5Very high1 Ų131.5 Ų31.51%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-126.2145-176.2-68.777.6-2.900110.3E165 L200 D201 S206 H238 S239E165-Q208 PolarHBondContact OE1-NE2 2.8Å; E165-Q208 PolarHBondContact OE2-NE2 2.89Å; L200-Q208 WeakPolarHBondContact CA-O 3.11Å; D201-Q208 HydrophobicContact CB-CB 4.17Å; D201-Q208 PolarHBondContact N-O 2.98Å; D201-Q208 PolarHBondContact O-N 2.89Å; S206-Q208 PolarHBondContact OG-NE2 2.93Å; Q208-H238 VanDerWaalsContact CA-O 3.29Å; Q208-H238 WeakPolarHBondContact CA-O 3.19Å; Q208-S239 PolarHBondContact NE2-OG 3.08Å; Q208-S239 VanDerWaalsContact NE2-OG 3.08Å
209I98.8Very high96.3Very high0 Ų033.9 Ų33.90%017%0.173CC..EExtended strand (participates in β ladder)trans-128.5126.6168175.6163.6000108.2L200 F211 Y236 T237 H238 F240 V345 F349 Y421L200-I209 HydrophobicContact CD2-CB 3.82Å; L200-I209 HydrophobicContact CD2-CD1 3.77Å; L200-I209 HydrophobicContact CD2-CG1 3.57Å; I209-F211 HydrophobicContact CD1-CD1 4.29Å; I209-F211 HydrophobicContact CD1-CE1 3.92Å; I209-F211 HydrophobicContact CG1-CD1 3.91Å; I209-F211 HydrophobicContact CG1-CE1 3.92Å; I209-Y236 HydrophobicContact CG2-CE1 4.07Å; I209-T237 WeakPolarHBondContact O-CA 3.23Å; I209-H238 PolarHBondContact N-O 2.71Å; I209-H238 VanDerWaalsContact N-O 3.14Å; I209-H238 PolarHBondContact O-N 2.86Å; I209-H238 VanDerWaalsContact O-N 3.07Å; I209-F240 HydrophobicContact CG2-CE2 4.14Å; I209-V345 HydrophobicContact CD1-CG1 4.14Å; I209-F349 HydrophobicContact CD1-CE1 4.47Å; I209-F349 HydrophobicContact CG1-CE1 4.42Å; I209-Y421 HydrophobicContact CB-CE1 4.24Å; I209-Y421 HydrophobicContact CB-CE2 4.38Å; I209-Y421 HydrophobicContact CD1-CD1 4.2Å; I209-Y421 HydrophobicContact CD1-CD2 4.23Å; I209-Y421 HydrophobicContact CD1-CG 3.99Å; I209-Y421 HydrophobicContact CG2-CD1 4.31Å; I209-Y421 HydrophobicContact CG2-CE1 3.89Å
210T98.8Very high96.1Very high0 Ų039.8 Ų39.80%020%0.2CC..EExtended strand (participates in β ladder)trans-141.8128.5-179.2-58.80000111.5G166 W170 G198 A199 L235 Y236 T237G166-T210 WeakPolarHBondContact CA-OG1 3.45Å; G166-T210 PolarHBondContact O-OG1 2.85Å; W170-T210 HydrophobicContact CB-CG2 3.54Å; W170-T210 HydrophobicContact CG-CG2 3.87Å; G198-T210 CarbonylContact C-O 3.56Å; G198-T210 VanDerWaalsContact CA-O 3.31Å; G198-T210 WeakPolarHBondContact CA-O 3.3Å; A199-T210 PolarHBondContact N-O 3.38Å; A199-T210 PolarHBondContact O-N 2.89Å; T210-L235 HydrophobicContact CG2-CB 4.27Å; T210-L235 HydrophobicContact CG2-CD1 3.95Å; T210-Y236 CarbonylContact C-O 3.55Å; T210-Y236 VanDerWaalsContact CA-O 3.27Å; T210-Y236 WeakPolarHBondContact CA-O 3.44Å; T210-T237 WeakPolarHBondContact OG1-CB 3.42Å; T210-T237 PolarHBondContact OG1-OG1 3Å
211F98.2Very high95.9Very high2 Ų242.5 Ų42.51%0.00922%0.223CC..EExtended strand (participates in β ladder)trans-159.5161.1177.260-79.6000112I209 Y236 P343 K344 V345 F349I209-F211 HydrophobicContact CD1-CD1 4.29Å; I209-F211 HydrophobicContact CD1-CE1 3.92Å; I209-F211 HydrophobicContact CG1-CD1 3.91Å; I209-F211 HydrophobicContact CG1-CE1 3.92Å; F211-Y236 AromaticContact CD1-CD1 3.86Å; F211-Y236 HydrophobicContact CD1-CD1 3.86Å; F211-Y236 AromaticContact CE1-CD1 3.39Å; F211-Y236 HydrophobicContact CE1-CD1 3.39Å; F211-Y236 AromaticContact CE1-CE1 3.84Å; F211-Y236 HydrophobicContact CE1-CE1 3.84Å; F211-Y236 HydrophobicContact CE1-CG 4.39Å; F211-Y236 AromaticContact CZ-CD1 3.96Å; F211-Y236 HydrophobicContact CZ-CD1 3.96Å; F211-Y236 PolarHBondContact N-O 3.02Å; F211-Y236 PolarHBondContact O-N 2.92Å; F211-P343 HydrophobicContact CE2-CG 4.09Å; F211-P343 HydrophobicContact CZ-CB 4.45Å; F211-P343 HydrophobicContact CZ-CG 3.71Å; F211-K344 WeakPolarHBondContact CE2-O 3.37Å; F211-V345 HydrophobicContact CZ-CG1 4.47Å; F211-F349 HydrophobicContact CB-CE1 3.84Å; F211-F349 HydrophobicContact CB-CZ 3.92Å; F211-F349 AromaticContact CD1-CE1 3.72Å; F211-F349 HydrophobicContact CD1-CE1 3.72Å; F211-F349 AromaticContact CD1-CZ 3.8Å; F211-F349 HydrophobicContact CD1-CZ 3.8Å; F211-F349 HydrophobicContact CD2-CZ 4.2Å; F211-F349 HydrophobicContact CE1-CE1 4.47Å; F211-F349 HydrophobicContact CE1-CZ 4.32Å; F211-F349 AromaticContact CG-CE1 3.91Å; F211-F349 HydrophobicContact CG-CE1 3.91Å; F211-F349 AromaticContact CG-CZ 3.73Å; F211-F349 HydrophobicContact CG-CZ 3.73Å
212V96.2Very high95.8Very high52 Ų5242 Ų4232%0.31522%0.22SC..EExtended strand (participates in β ladder)trans-78.2132.2170174.60000108.4W170 T196 L235W170-V212 HydrophobicContact CH2-CG2 4.32Å; W170-V212 HydrophobicContact CZ2-CG2 3.61Å; T196-V212 WeakPolarHBondContact OG1-CG2 3.44Å; V212-L235 HydrophobicContact CG2-CD2 3.5Å
213T92.4Very high95.8Very high21 Ų2146.1 Ų46.113%0.12924%0.236CC..  trans-127.9148.9176.1-176.30000111E215 V217 P343T213-E215 PolarHBondContact OG1-N 3.43Å; T213-E215 VanDerWaalsContact OG1-N 3.07Å; T213-V217 HydrophobicContact CG2-CG2 4.05Å; T213-P343 HydrophobicContact CG2-CB 4.27Å; T213-P343 HydrophobicContact CG2-CG 3.92Å
214Q88.4Confident95.8Very high205 Ų20547.6 Ų47.696%0.95824%0.236SC*.SBendtrans-89.3-14.6169.2-63.9-176.5-2.500112.1
215E92.2Very high95.7Very high64 Ų6453.2 Ų53.230%0.29926%0.259SS..SBendtrans-70.6146.3175.2-62.7-176.4173.400110T213 V217 R334 P343 K344T213-E215 PolarHBondContact OG1-N 3.43Å; T213-E215 VanDerWaalsContact OG1-N 3.07Å; E215-V217 PolarHBondContact O-N 3.14Å; E215-R334 IonicContact OE1-CZ 3.83Å; E215-R334 IonicContact OE1-NH1 3.69Å; E215-R334 PolarHBondContact OE1-NH1 3.01Å; E215-R334 IonicContact OE1-NH2 2.68Å; E215-R334 IonicContact OE2-CZ 2.73Å; E215-R334 IonicContact OE2-NH1 2.65Å; E215-R334 PolarHBondContact OE2-NH1 3.04Å; E215-R334 IonicContact OE2-NH2 3.09Å; E215-P343 HydrophobicContact CB-CB 4.08Å; E215-P343 VanDerWaalsContact OE2-CA 3.24Å; E215-P343 WeakPolarHBondContact OE2-CA 3.46Å; E215-P343 WeakPolarHBondContact OE2-CB 3.49Å; E215-K344 PolarHBondContact OE2-N 3.24Å
216K93.3Very high95.5Very high173 Ų17354 Ų5475%0.75226%0.263SS*.  trans-62.9125.5173.8-177-177.9176.9-174.20108.9E218 F341K216-E218 PolarHBondContact O-N 3.34Å; K216-F341 WeakPolarHBondContact O-CZ 3.36Å
217V95.4Very high95.1Very high12 Ų1260.6 Ų60.67%0.07329%0.288CS..  trans-73.6111.6170.3-179.90000108.1T213 E215 N219 N222 R223 F341T213-V217 HydrophobicContact CG2-CG2 4.05Å; E215-V217 PolarHBondContact O-N 3.14Å; V217-N219 VanDerWaalsContact C-N 3.34Å; V217-N219 VanDerWaalsContact CG1-O 3.23Å; V217-N219 WeakPolarHBondContact CG1-O 3.21Å; V217-N222 HydrophobicContact CG1-CB 4.01Å; V217-R223 HydrophobicContact CB-CB 4.41Å; V217-R223 HydrophobicContact CG1-CB 4.02Å; V217-F341 HydrophobicContact CB-CE1 4.2Å; V217-F341 HydrophobicContact CG1-CD1 4.22Å; V217-F341 HydrophobicContact CG1-CE1 3.87Å
218E96.4Very high94.8Very high79 Ų7960.6 Ų60.637%0.36929%0.288SS..SBendtrans-78.3-21-173.4-69.4174.9-143.400113.4K216 F332 S333 F341K216-E218 PolarHBondContact O-N 3.34Å; E218-F332 HydrophobicContact CB-CD1 3.86Å; E218-F332 HydrophobicContact CB-CE1 4.5Å; E218-F332 WeakPolarHBondContact OE2-CA 3.17Å; E218-F332 WeakPolarHBondContact OE2-CB 3.22Å; E218-S333 WeakPolarHBondContact OE1-CB 3.41Å; E218-S333 PolarHBondContact OE1-OG 3.28Å; E218-S333 PolarHBondContact OE2-N 2.79Å; E218-F341 HydrophobicContact CB-CD2 3.84Å; E218-F341 HydrophobicContact CB-CE2 3.77Å; E218-F341 HydrophobicContact CB-CG 4.23Å; E218-F341 HydrophobicContact CB-CZ 4.14Å; E218-F341 HydrophobicContact CG-CD2 4.22Å; E218-F341 HydrophobicContact CG-CE2 3.71Å; E218-F341 HydrophobicContact CG-CZ 4.12Å
219N95.6Very high94.4Very high52 Ų5260.9 Ų60.928%0.27829%0.289SS..  trans-115.5111.4175.3-178.78.8000110.2V217 A221 N222 F332 F341V217-N219 VanDerWaalsContact C-N 3.34Å; V217-N219 VanDerWaalsContact CG1-O 3.23Å; V217-N219 WeakPolarHBondContact CG1-O 3.21Å; N219-A221 PolarHBondContact O-N 3.25Å; N219-A221 VanDerWaalsContact O-N 3.12Å; N219-A221 WeakPolarHBondContact OD1-CB 3.49Å; N219-A221 PolarHBondContact OD1-N 2.51Å; N219-N222 WeakPolarHBondContact CB-OD1 3.37Å; N219-N222 PolarHBondContact ND2-OD1 2.79Å; N219-N222 WeakPolarHBondContact O-CA 3.36Å; N219-N222 WeakPolarHBondContact O-CB 3.3Å; N219-N222 PolarHBondContact O-N 3.08Å; N219-F332 HydrophobicContact CB-CE1 3.9Å; N219-F332 HydrophobicContact CB-CZ 3.88Å; N219-F341 HydrophobicContact CB-CB 4.23Å
220E93.9Very high93.8Very high127 Ų12762.3 Ų62.359%0.59330%0.304SS*.G310 helixtrans-58.3-27.4-179.6-69.2-61.9152.900113.1N222 R223E220-N222 PolarHBondContact O-N 3.03Å; E220-N222 VanDerWaalsContact O-N 3.15Å; E220-R223 WeakPolarHBondContact O-CB 3.48Å; E220-R223 PolarHBondContact O-N 3.16Å; E220-R223 WeakPolarHBondContact OE2-CD 3.39Å
221A94.6Very high93.3Very high58 Ų5866.8 Ų66.848%0.47932%0.324SS..G310 helixtrans-66.2-14.6174.800000113.6Q163 N219Q163-A221 PolarHBondContact NE2-O 3.08Å; N219-A221 PolarHBondContact O-N 3.25Å; N219-A221 VanDerWaalsContact O-N 3.12Å; N219-A221 WeakPolarHBondContact OD1-CB 3.49Å; N219-A221 PolarHBondContact OD1-N 2.51Å
222N96.7Very high93Very high1 Ų171.8 Ų71.81%0.00535%0.351CS..G310 helixtrans-96.6-0.6173.6-67.9118.9000113.1V217 N219 E220 Y236 T237 H238V217-N222 HydrophobicContact CG1-CB 4.01Å; N219-N222 WeakPolarHBondContact CB-OD1 3.37Å; N219-N222 PolarHBondContact ND2-OD1 2.79Å; N219-N222 WeakPolarHBondContact O-CA 3.36Å; N219-N222 WeakPolarHBondContact O-CB 3.3Å; N219-N222 PolarHBondContact O-N 3.08Å; E220-N222 PolarHBondContact O-N 3.03Å; E220-N222 VanDerWaalsContact O-N 3.15Å; N222-Y236 HydrophobicContact CB-CD2 3.86Å; N222-Y236 HydrophobicContact CB-CE2 3.74Å; N222-Y236 CarbonylContact O-C 3.54Å; N222-Y236 WeakPolarHBondContact O-CA 3.35Å; N222-T237 WeakPolarHBondContact CA-O 3.24Å; N222-T237 PolarHBondContact ND2-O 2.62Å; N222-T237 VanDerWaalsContact ND2-O 3.14Å; N222-T237 PolarHBondContact O-N 3.22Å; N222-H238 WeakPolarHBondContact ND2-CB 3.39Å; N222-H238 PolarHBondContact ND2-ND1 3.45Å
223R96.4Very high92.8Very high87 Ų8771.1 Ų71.133%0.32834%0.343SS..EExtended strand (participates in β ladder)trans-99.8129.8-178.9-168.8174.8-179.6-97.6-10.9110.1V217 E220 E225 S234 L235V217-R223 HydrophobicContact CB-CB 4.41Å; V217-R223 HydrophobicContact CG1-CB 4.02Å; E220-R223 WeakPolarHBondContact O-CB 3.48Å; E220-R223 PolarHBondContact O-N 3.16Å; E220-R223 WeakPolarHBondContact OE2-CD 3.39Å; R223-E225 IonicContact CZ-OE1 2.78Å; R223-E225 VanDerWaalsContact NH1-CD 3.32Å; R223-E225 IonicContact NH1-OE1 2.76Å; R223-E225 PolarHBondContact NH1-OE1 3.02Å; R223-E225 IonicContact NH2-OE1 3.68Å; R223-E225 PolarHBondContact NH2-OE1 3.18Å; R223-S234 PolarHBondContact NE-OG 2.8Å; R223-S234 PolarHBondContact NH2-OG 2.8Å; R223-L235 WeakPolarHBondContact CA-O 3.43Å
224K95.3Very high92.9Very high52 Ų5272.3 Ų72.323%0.22635%0.353CS..EExtended strand (participates in β ladder)trans-128.2127.7172.4-167.174.8171.9-170.70110.4E164 A167 L226 L235 T237E164-K224 IonicContact OE1-NZ 3.84Å; A167-K224 HydrophobicContact CB-CB 4.49Å; A167-K224 HydrophobicContact CB-CG 3.94Å; K224-L226 HydrophobicContact CG-CD2 4.44Å; K224-L235 HydrophobicContact CB-CB 4.46Å; K224-L235 PolarHBondContact N-O 2.97Å; K224-L235 PolarHBondContact O-N 3.05Å; K224-T237 HydrophobicContact CB-CG2 3.85Å
225E93.9Very high93.3Very high128 Ų12862.6 Ų62.660%0.59831%0.307SS*.EExtended strand (participates in β ladder)trans-99.3136.7172.8-66.5-172.7156.400110.6R223 Y233R223-E225 IonicContact CZ-OE1 2.78Å; R223-E225 VanDerWaalsContact NH1-CD 3.32Å; R223-E225 IonicContact NH1-OE1 2.76Å; R223-E225 PolarHBondContact NH1-OE1 3.02Å; R223-E225 IonicContact NH2-OE1 3.68Å; R223-E225 PolarHBondContact NH2-OE1 3.18Å; E225-Y233 WeakPolarHBondContact CA-O 3.38Å
226L92.9Very high93.6Very high18 Ų1859.5 Ų59.59%0.09429%0.293CS..EExtended strand (participates in β ladder)trans-136.4144.9176.6-62.6175.7000109.9A167 V171 K224 D232 Y233 L235 V451A167-L226 HydrophobicContact CB-CD1 4.35Å; V171-L226 HydrophobicContact CG2-CD1 3.56Å; K224-L226 HydrophobicContact CG-CD2 4.44Å; L226-D232 CarbonylContact O-C 3.22Å; L226-D232 WeakPolarHBondContact O-CA 3.34Å; L226-Y233 PolarHBondContact N-O 2.89Å; L226-Y233 PolarHBondContact O-N 3.46Å; L226-L235 HydrophobicContact CD1-CD1 3.68Å; L226-L235 HydrophobicContact CG-CD1 4.41Å; L226-V451 HydrophobicContact CD2-CG2 4.48Å
227R91.2Very high93.8Very high141 Ų14151.3 Ų51.353%0.53226%0.257SS..EExtended strand (participates in β ladder)trans-115.4118.7170.1-172.4173.7-172.8101.3-2.3110.1Q231 D232 N454R227-Q231 CarbonylContact C-O 3.51Å; R227-Q231 VanDerWaalsContact CA-O 3.3Å; R227-Q231 WeakPolarHBondContact CA-O 3.44Å; R227-D232 WeakPolarHBondContact CB-OD1 3.2Å; R227-D232 WeakPolarHBondContact CD-OD1 3.36Å; R227-D232 WeakPolarHBondContact CG-OD1 3.36Å; R227-D232 IonicContact CZ-OD1 2.87Å; R227-D232 IonicContact NE-OD1 2.62Å; R227-D232 IonicContact NH1-OD1 3.63Å; R227-D232 PolarHBondContact NH1-OD1 3.18Å; R227-D232 IonicContact NH1-OD2 3.58Å; R227-D232 PolarHBondContact NH1-OD2 3.29Å; R227-N454 PolarHBondContact O-ND2 2.89Å
228L91.3Very high94Very high0 Ų052.2 Ų52.20%026%0.261CS..EExtended strand (participates in β ladder)trans-136.9130.9-178-68.9170000110.4T66 V171 F180 G230 Q231 Y233 V451T66-L228 HydrophobicContact CG2-CD2 4.22Å; V171-L228 HydrophobicContact CB-CD1 4.29Å; V171-L228 HydrophobicContact CG1-CD1 3.69Å; V171-L228 HydrophobicContact CG2-CD1 3.62Å; F180-L228 HydrophobicContact CE1-CD1 4.46Å; F180-L228 HydrophobicContact CE2-CD1 3.94Å; F180-L228 HydrophobicContact CZ-CD1 3.85Å; L228-G230 PolarHBondContact O-N 3.28Å; L228-G230 VanDerWaalsContact O-N 3.13Å; L228-Q231 PolarHBondContact N-O 2.85Å; L228-Q231 PolarHBondContact O-N 2.84Å; L228-Y233 HydrophobicContact CB-CD2 4.48Å; L228-Y233 HydrophobicContact CB-CE2 4.13Å; L228-V451 HydrophobicContact CD2-CG2 4.06Å
229Y89.9Confident94.1Very high7 Ų749 Ų493%0.02725%0.247CC..THydrogen-bonded Turntrans52.333.8-179.7-56.2-77.8000113.8Q63 N64 T66 G67 Y175 F180 I181 Q231 L450Q63-Y229 HydrophobicContact CB-CD1 4.03Å; Q63-Y229 HydrophobicContact CB-CE1 4.24Å; Q63-Y229 HydrophobicContact CG-CD1 4.12Å; Q63-Y229 WeakPolarHBondContact O-CD1 3.24Å; N64-Y229 WeakPolarHBondContact CB-O 3.42Å; N64-Y229 PolarHBondContact ND2-O 3.36Å; T66-Y229 VanDerWaalsContact CB-CE1 3.45Å; T66-Y229 HydrophobicContact CG2-CD1 4.14Å; T66-Y229 HydrophobicContact CG2-CD2 4.31Å; T66-Y229 HydrophobicContact CG2-CE1 3.64Å; T66-Y229 HydrophobicContact CG2-CE2 3.86Å; T66-Y229 HydrophobicContact CG2-CG 4.44Å; T66-Y229 VanDerWaalsContact CG2-CZ 3.48Å; T66-Y229 PolarHBondContact OG1-N 3.37Å; G67-Y229 PolarHBondContact O-OH 2.88Å; Y175-Y229 HydrophobicContact CD2-CE2 4.25Å; Y175-Y229 WeakPolarHBondContact CD2-OH 3.32Å; Y175-Y229 WeakPolarHBondContact CE2-OH 3.41Å; F180-Y229 HydrophobicContact CB-CD2 3.6Å; F180-Y229 HydrophobicContact CB-CE2 3.9Å; F180-Y229 HydrophobicContact CD2-CD2 4.3Å; F180-Y229 HydrophobicContact CD2-CE2 4.02Å; F180-Y229 HydrophobicContact CG-CD2 4.15Å; F180-Y229 HydrophobicContact CG-CE2 4.3Å; I181-Y229 HydrophobicContact CD1-CD1 4Å; I181-Y229 HydrophobicContact CD1-CE1 3.58Å; I181-Y229 HydrophobicContact CG1-CE1 4.36Å; I181-Y229 HydrophobicContact CG2-CD1 3.7Å; I181-Y229 HydrophobicContact CG2-CD2 4.11Å; I181-Y229 HydrophobicContact CG2-CE1 4.34Å; I181-Y229 HydrophobicContact CG2-CG 3.59Å; Y229-Q231 VanDerWaalsContact C-N 3.34Å; Y229-L450 VanDerWaalsContact OH-CD2 3.3Å; Y229-L450 WeakPolarHBondContact OH-CD2 3.43Å
230G86.7Confident94.2Very high30 Ų3047 Ų4731%0.30924%0.236SC..THydrogen-bonded Turntrans81.53.6-178.300000115.5L228L228-G230 PolarHBondContact O-N 3.28Å; L228-G230 VanDerWaalsContact O-N 3.13Å
231Q89.4Confident94.4Very high93 Ų9343.3 Ų43.344%0.43522%0.22SC..EExtended strand (participates in β ladder)trans-108.9140.4178.5-62.4-65.8-10.500111.2R227 L228 Y229 Y233R227-Q231 CarbonylContact C-O 3.51Å; R227-Q231 VanDerWaalsContact CA-O 3.3Å; R227-Q231 WeakPolarHBondContact CA-O 3.44Å; L228-Q231 PolarHBondContact N-O 2.85Å; L228-Q231 PolarHBondContact O-N 2.84Å; Y229-Q231 VanDerWaalsContact C-N 3.34Å; Q231-Y233 HydrophobicContact CB-CE2 3.7Å
232D91.1Very high94.6Very high108 Ų10841.6 Ų41.658%0.57820%0.204SC*.EExtended strand (participates in β ladder)trans-95.3133.5175.8-59.2-42.7000110.1L226 R227L226-D232 CarbonylContact O-C 3.22Å; L226-D232 WeakPolarHBondContact O-CA 3.34Å; R227-D232 WeakPolarHBondContact CB-OD1 3.2Å; R227-D232 WeakPolarHBondContact CD-OD1 3.36Å; R227-D232 WeakPolarHBondContact CG-OD1 3.36Å; R227-D232 IonicContact CZ-OD1 2.87Å; R227-D232 IonicContact NE-OD1 2.62Å; R227-D232 IonicContact NH1-OD1 3.63Å; R227-D232 PolarHBondContact NH1-OD1 3.18Å; R227-D232 IonicContact NH1-OD2 3.58Å; R227-D232 PolarHBondContact NH1-OD2 3.29Å
233Y92Very high94.6Very high37 Ų3742.1 Ų42.115%0.14521%0.206CC..EExtended strand (participates in β ladder)trans-122.1129.3179.2-62.3-88000109.6W170 F180 T196 E225 L226 L228 Q231W170-Y233 AromaticContact CH2-CD1 3.6Å; W170-Y233 HydrophobicContact CH2-CD1 3.6Å; W170-Y233 HydrophobicContact CH2-CE1 4.11Å; W170-Y233 AromaticContact CH2-CG 3.86Å; W170-Y233 HydrophobicContact CH2-CG 3.86Å; W170-Y233 HydrophobicContact CZ2-CD1 4.4Å; W170-Y233 HydrophobicContact CZ3-CD1 4.48Å; W170-Y233 HydrophobicContact CZ3-CG 4.32Å; F180-Y233 HydrophobicContact CD1-CE1 4.35Å; F180-Y233 HydrophobicContact CD1-CE2 4.17Å; F180-Y233 AromaticContact CD1-CZ 3.71Å; F180-Y233 WeakPolarHBondContact CD1-OH 3.38Å; F180-Y233 HydrophobicContact CE1-CE1 4.11Å; F180-Y233 HydrophobicContact CE1-CE2 4.07Å; F180-Y233 AromaticContact CE1-CZ 3.76Å; T196-Y233 HydrophobicContact CG2-CE1 4.12Å; E225-Y233 WeakPolarHBondContact CA-O 3.38Å; L226-Y233 PolarHBondContact N-O 2.89Å; L226-Y233 PolarHBondContact O-N 3.46Å; L228-Y233 HydrophobicContact CB-CD2 4.48Å; L228-Y233 HydrophobicContact CB-CE2 4.13Å; Q231-Y233 HydrophobicContact CB-CE2 3.7Å
234S94Very high94.7Very high47 Ų4738 Ų3833%0.32919%0.19SC..EExtended strand (participates in β ladder)trans-107.4112.5172.3-1790000108.6R223R223-S234 PolarHBondContact NE-OG 2.8Å; R223-S234 PolarHBondContact NH2-OG 2.8Å
235L96.6Very high94.7Very high0 Ų037.5 Ų37.50%019%0.189CC..EExtended strand (participates in β ladder)trans-104.3144.1-174.9-50.7-177.8000110.8A167 W170 T210 V212 R223 K224 L226A167-L235 HydrophobicContact CB-CD1 4.23Å; W170-L235 HydrophobicContact CD2-CD1 3.95Å; W170-L235 HydrophobicContact CD2-CD2 3.92Å; W170-L235 HydrophobicContact CE3-CD1 3.67Å; W170-L235 HydrophobicContact CE3-CD2 3.99Å; W170-L235 HydrophobicContact CE3-CG 4.49Å; W170-L235 HydrophobicContact CG-CD1 4.38Å; W170-L235 HydrophobicContact CH2-CD2 3.8Å; W170-L235 HydrophobicContact CZ2-CD2 3.7Å; W170-L235 HydrophobicContact CZ3-CD1 4.16Å; W170-L235 HydrophobicContact CZ3-CD2 3.94Å; T210-L235 HydrophobicContact CG2-CB 4.27Å; T210-L235 HydrophobicContact CG2-CD1 3.95Å; V212-L235 HydrophobicContact CG2-CD2 3.5Å; R223-L235 WeakPolarHBondContact CA-O 3.43Å; K224-L235 HydrophobicContact CB-CB 4.46Å; K224-L235 PolarHBondContact N-O 2.97Å; K224-L235 PolarHBondContact O-N 3.05Å; L226-L235 HydrophobicContact CD1-CD1 3.68Å; L226-L235 HydrophobicContact CG-CD1 4.41Å
236Y98.4Very high94.8Very high0 Ų034.7 Ų34.70%018%0.178CC..EExtended strand (participates in β ladder)trans-83.6132.7150.9167.3-95.1000108.3I209 T210 F211 N222 F341 Q342 P343I209-Y236 HydrophobicContact CG2-CE1 4.07Å; T210-Y236 CarbonylContact C-O 3.55Å; T210-Y236 VanDerWaalsContact CA-O 3.27Å; T210-Y236 WeakPolarHBondContact CA-O 3.44Å; F211-Y236 AromaticContact CD1-CD1 3.86Å; F211-Y236 HydrophobicContact CD1-CD1 3.86Å; F211-Y236 AromaticContact CE1-CD1 3.39Å; F211-Y236 HydrophobicContact CE1-CD1 3.39Å; F211-Y236 AromaticContact CE1-CE1 3.84Å; F211-Y236 HydrophobicContact CE1-CE1 3.84Å; F211-Y236 HydrophobicContact CE1-CG 4.39Å; F211-Y236 AromaticContact CZ-CD1 3.96Å; F211-Y236 HydrophobicContact CZ-CD1 3.96Å; F211-Y236 PolarHBondContact N-O 3.02Å; F211-Y236 PolarHBondContact O-N 2.92Å; N222-Y236 HydrophobicContact CB-CD2 3.86Å; N222-Y236 HydrophobicContact CB-CE2 3.74Å; N222-Y236 CarbonylContact O-C 3.54Å; N222-Y236 WeakPolarHBondContact O-CA 3.35Å; Y236-F341 HydrophobicContact CD2-CD1 4.32Å; Y236-F341 HydrophobicContact CD2-CE1 4.25Å; Y236-F341 HydrophobicContact CE2-CD1 4.07Å; Y236-F341 HydrophobicContact CE2-CE1 4.4Å; Y236-F341 VanDerWaalsContact CE2-O 3.28Å; Y236-F341 WeakPolarHBondContact CE2-O 3.45Å; Y236-F341 PolarHBondContact OH-O 2.85Å; Y236-Q342 HydrophobicContact CE1-CG 3.85Å; Y236-Q342 WeakPolarHBondContact OH-CG 3.4Å; Y236-P343 HydrophobicContact CD1-CG 4.08Å; Y236-P343 HydrophobicContact CD2-CG 3.85Å; Y236-P343 VanDerWaalsContact CE2-CD 3.46Å; Y236-P343 HydrophobicContact CE2-CG 4.44Å; Y236-P343 HydrophobicContact CG-CG 3.64Å
237T98.4Very high95Very high0 Ų034.9 Ų34.90%018%0.178CC..EExtended strand (participates in β ladder)trans-145.4142.8174.2-174.40000111.1Q163 I209 T210 N222 K224Q163-T237 HydrophobicContact CB-CG2 3.6Å; Q163-T237 HydrophobicContact CG-CG2 3.78Å; I209-T237 WeakPolarHBondContact O-CA 3.23Å; T210-T237 WeakPolarHBondContact OG1-CB 3.42Å; T210-T237 PolarHBondContact OG1-OG1 3Å; N222-T237 WeakPolarHBondContact CA-O 3.24Å; N222-T237 PolarHBondContact ND2-O 2.62Å; N222-T237 VanDerWaalsContact ND2-O 3.14Å; N222-T237 PolarHBondContact O-N 3.22Å; K224-T237 HydrophobicContact CB-CG2 3.85Å
238H98.6Very high95.3Very high32 Ų3228.1 Ų28.115%0.14815%0.153CC..EExtended strand (participates in β ladder)trans-148.1146.6169.9-165.172000111.2Q208 I209 N222 F240Q208-H238 VanDerWaalsContact CA-O 3.29Å; Q208-H238 WeakPolarHBondContact CA-O 3.19Å; I209-H238 PolarHBondContact N-O 2.71Å; I209-H238 VanDerWaalsContact N-O 3.14Å; I209-H238 PolarHBondContact O-N 2.86Å; I209-H238 VanDerWaalsContact O-N 3.07Å; N222-H238 WeakPolarHBondContact ND2-CB 3.39Å; N222-H238 PolarHBondContact ND2-ND1 3.45Å; H238-F240 HydrophobicContact CB-CE2 4.41Å; H238-F240 AromaticContact CD2-CD1 3.67Å; H238-F240 AromaticContact CD2-CD2 3.66Å; H238-F240 AromaticContact CD2-CE1 3.5Å; H238-F240 AromaticContact CD2-CE2 3.45Å; H238-F240 VanDerWaalsContact CD2-CE2 3.45Å; H238-F240 WeakPolarHBondContact CD2-CE2 3.3Å; H238-F240 AromaticContact CD2-CG 3.74Å; H238-F240 AromaticContact CD2-CZ 3.36Å; H238-F240 WeakPolarHBondContact CD2-CZ 3.17Å; H238-F240 AromaticContact NE2-CD1 3.77Å; H238-F240 AromaticContact NE2-CE1 3.73Å
239S98.6Very high95.6Very high12 Ų1229.3 Ų29.38%0.08416%0.159CC..EExtended strand (participates in β ladder)trans-119.4115.5173.4-177.50000109.6R126 G162 T207 Q208 L241R126-S239 PolarHBondContact NH1-OG 3.04Å; R126-S239 VanDerWaalsContact NH1-OG 3.08Å; G162-S239 WeakPolarHBondContact O-CB 3.4Å; T207-S239 CarbonylContact O-C 3.54Å; T207-S239 WeakPolarHBondContact O-CA 3.32Å; Q208-S239 PolarHBondContact NE2-OG 3.08Å; Q208-S239 VanDerWaalsContact NE2-OG 3.08Å; S239-L241 PolarHBondContact O-N 3.22Å
240F98.5Very high96Very high8 Ų831.3 Ų31.34%0.03517%0.168CC..EExtended strand (participates in β ladder)trans-86.291.9174.5-64.2-84.9000109.2S206 T207 I209 H238 Y243 S336 F337 V340 Y421S206-F240 VanDerWaalsContact CA-O 3.26Å; S206-F240 WeakPolarHBondContact CA-O 3.33Å; S206-F240 WeakPolarHBondContact CB-O 3.4Å; T207-F240 HydrophobicContact CG2-CB 3.98Å; T207-F240 HydrophobicContact CG2-CD2 4.36Å; T207-F240 PolarHBondContact N-O 2.98Å; T207-F240 PolarHBondContact O-N 3.02Å; I209-F240 HydrophobicContact CG2-CE2 4.14Å; H238-F240 HydrophobicContact CB-CE2 4.41Å; H238-F240 AromaticContact CD2-CD1 3.67Å; H238-F240 AromaticContact CD2-CD2 3.66Å; H238-F240 AromaticContact CD2-CE1 3.5Å; H238-F240 AromaticContact CD2-CE2 3.45Å; H238-F240 VanDerWaalsContact CD2-CE2 3.45Å; H238-F240 WeakPolarHBondContact CD2-CE2 3.3Å; H238-F240 AromaticContact CD2-CG 3.74Å; H238-F240 AromaticContact CD2-CZ 3.36Å; H238-F240 WeakPolarHBondContact CD2-CZ 3.17Å; H238-F240 AromaticContact NE2-CD1 3.77Å; H238-F240 AromaticContact NE2-CE1 3.73Å; F240-Y243 HydrophobicContact CB-CD2 3.75Å; F240-Y243 HydrophobicContact CB-CG 3.88Å; F240-Y243 WeakPolarHBondContact O-CB 3.43Å; F240-Y243 PolarHBondContact O-N 2.94Å; F240-S336 WeakPolarHBondContact CZ-OG 3.36Å; F240-F337 HydrophobicContact CB-CZ 4.19Å; F240-F337 HydrophobicContact CD1-CD2 4.23Å; F240-F337 HydrophobicContact CD1-CE1 4.12Å; F240-F337 AromaticContact CD1-CE2 3.34Å; F240-F337 HydrophobicContact CD1-CE2 3.34Å; F240-F337 AromaticContact CD1-CZ 3.28Å; F240-F337 HydrophobicContact CD1-CZ 3.28Å; F240-F337 HydrophobicContact CD2-CE1 4.33Å; F240-F337 AromaticContact CD2-CZ 3.87Å; F240-F337 HydrophobicContact CD2-CZ 3.87Å; F240-F337 HydrophobicContact CE1-CD1 4.3Å; F240-F337 HydrophobicContact CE1-CD2 4.11Å; F240-F337 AromaticContact CE1-CE1 3.83Å; F240-F337 HydrophobicContact CE1-CE1 3.83Å; F240-F337 AromaticContact CE1-CE2 3.59Å; F240-F337 HydrophobicContact CE1-CE2 3.59Å; F240-F337 HydrophobicContact CE1-CG 4.44Å; F240-F337 AromaticContact CE1-CZ 3.45Å; F240-F337 HydrophobicContact CE1-CZ 3.45Å; F240-F337 VanDerWaalsContact CE1-CZ 3.45Å; F240-F337 HydrophobicContact CE2-CE1 4.08Å; F240-F337 HydrophobicContact CE2-CZ 4.04Å; F240-F337 HydrophobicContact CG-CE1 4.36Å; F240-F337 AromaticContact CG-CE2 3.97Å; F240-F337 HydrophobicContact CG-CE2 3.97Å; F240-F337 AromaticContact CG-CZ 3.51Å; F240-F337 HydrophobicContact CG-CZ 3.51Å; F240-F337 HydrophobicContact CZ-CD1 4.4Å; F240-F337 AromaticContact CZ-CE1 3.84Å; F240-F337 HydrophobicContact CZ-CE1 3.84Å; F240-F337 HydrophobicContact CZ-CE2 4.41Å; F240-F337 AromaticContact CZ-CZ 3.85Å; F240-F337 HydrophobicContact CZ-CZ 3.85Å; F240-V340 HydrophobicContact CD1-CG2 4.48Å; F240-V340 HydrophobicContact CE1-CB 3.86Å; F240-V340 HydrophobicContact CE1-CG1 4.03Å; F240-V340 HydrophobicContact CE1-CG2 3.72Å; F240-V340 HydrophobicContact CZ-CB 4.16Å; F240-V340 HydrophobicContact CZ-CG1 3.94Å; F240-V340 HydrophobicContact CZ-CG2 4.46Å; F240-Y421 HydrophobicContact CD2-CE1 4.04Å; F240-Y421 AromaticContact CE2-CE1 3.67Å; F240-Y421 HydrophobicContact CE2-CE1 3.67Å
241L98.3Very high96.5Very high50 Ų5030.5 Ų30.526%0.26216%0.156SC..EExtended strand (participates in β ladder)trans-61.6144.3171.8-171.463.6000110A123 R126 L127 I130 S239 Y243A123-L241 HydrophobicContact CB-CD1 3.66Å; R126-L241 HydrophobicContact CB-CD1 4.29Å; L127-L241 HydrophobicContact CD2-CD1 4.04Å; L127-L241 HydrophobicContact CD2-CD2 4.1Å; L127-L241 HydrophobicContact CD2-CG 4.01Å; L127-L241 HydrophobicContact CG-CD1 4.14Å; I130-L241 HydrophobicContact CD1-CD2 3.71Å; S239-L241 PolarHBondContact O-N 3.22Å; L241-Y243 WeakPolarHBondContact O-CD2 3.44Å; L241-Y243 PolarHBondContact O-N 3.41Å
242C98Very high96.9Very high22 Ų2226.1 Ų26.115%0.14914%0.135CC..THydrogen-bonded Turntrans68.4-0.4-171.6-61.90000115.8A205 Q247 K251 C289A205-C242 WeakPolarHBondContact O-CA 3.33Å; A205-C242 PolarHBondContact O-N 3.27Å; C242-Q247 WeakPolarHBondContact O-CB 3.39Å; C242-K251 HydrophobicContact CB-CD 4.37Å; C242-C289 WeakPolarHBondContact CA-SG 3.28Å; C242-C289 HydrophobicContact CB-CB 3.54Å; C242-C289 WeakPolarHBondContact CB-SG 3.45Å; C242-C289 WeakPolarHBondContact SG-CA 3.39Å; C242-C289 WeakPolarHBondContact SG-CB 3.26Å; C242-C289 CovalentContact SG-SG 2.03Å; C242-C289 PolarHBondContact SG-SG 3.29Å
243Y98.2Very high97.1Very high12 Ų1221.8 Ų21.85%0.04711%0.112CC..  trans-101.315.8172.8-71.3-94.8000113F202 T207 F240 L241 L248 K251 L324 F325 F337 D338F202-Y243 VanDerWaalsContact CE2-O 3.23Å; F202-Y243 WeakPolarHBondContact CE2-O 3.27Å; T207-Y243 WeakPolarHBondContact CG2-O 3.45Å; F240-Y243 HydrophobicContact CB-CD2 3.75Å; F240-Y243 HydrophobicContact CB-CG 3.88Å; F240-Y243 WeakPolarHBondContact O-CB 3.43Å; F240-Y243 PolarHBondContact O-N 2.94Å; L241-Y243 WeakPolarHBondContact O-CD2 3.44Å; L241-Y243 PolarHBondContact O-N 3.41Å; Y243-L248 HydrophobicContact CD1-CD1 4.37Å; Y243-L248 HydrophobicContact CD1-CD2 3.73Å; Y243-L248 HydrophobicContact CD1-CG 4.41Å; Y243-L248 HydrophobicContact CE1-CD2 4.17Å; Y243-L248 HydrophobicContact CG-CD2 4.44Å; Y243-L248 WeakPolarHBondContact O-CD1 3.2Å; Y243-K251 PolarHBondContact OH-NZ 3.3Å; Y243-L324 PolarHBondContact OH-O 3.29Å; Y243-F325 HydrophobicContact CD1-CD1 4.17Å; Y243-F325 AromaticContact CD1-CE1 3.67Å; Y243-F325 HydrophobicContact CD1-CE1 3.67Å; Y243-F325 HydrophobicContact CD1-CZ 4.3Å; Y243-F325 AromaticContact CE1-CD1 3.79Å; Y243-F325 HydrophobicContact CE1-CD1 3.79Å; Y243-F325 AromaticContact CE1-CE1 3.75Å; Y243-F325 HydrophobicContact CE1-CE1 3.75Å; Y243-F325 HydrophobicContact CE1-CZ 4.44Å; Y243-F337 AromaticContact CD1-CE2 3.63Å; Y243-F337 HydrophobicContact CD1-CE2 3.63Å; Y243-F337 AromaticContact CD1-CZ 3.95Å; Y243-F337 HydrophobicContact CD1-CZ 3.95Å; Y243-F337 HydrophobicContact CD2-CE2 4.02Å; Y243-F337 HydrophobicContact CE1-CD2 4.05Å; Y243-F337 AromaticContact CE1-CE2 3.43Å; Y243-F337 HydrophobicContact CE1-CE2 3.43Å; Y243-F337 VanDerWaalsContact CE1-CE2 3.43Å; Y243-F337 HydrophobicContact CE1-CZ 4.18Å; Y243-F337 AromaticContact CE2-CE2 3.8Å; Y243-F337 HydrophobicContact CE2-CE2 3.8Å; Y243-F337 AromaticContact CG-CE2 3.95Å; Y243-F337 HydrophobicContact CG-CE2 3.95Å; Y243-F337 HydrophobicContact CG-CZ 4.21Å; Y243-F337 AromaticContact CZ-CD2 3.99Å; Y243-F337 AromaticContact CZ-CE2 3.51Å; Y243-D338 WeakPolarHBondContact CE2-OD2 3.25Å; Y243-D338 VanDerWaalsContact CZ-OD2 3.22Å; Y243-D338 PolarHBondContact OH-OD2 3.47Å
244G97.7Very high97.4Very high0 Ų020 Ų200%011%0.106CC..SBendtrans-74.5160166.600000112G203 G204 A205 S206 N246 Q247 L248G203-G244 CarbonylContact O-C 3.57Å; G203-G244 WeakPolarHBondContact O-CA 3.36Å; G204-G244 CarbonylContact O-C 3.52Å; G204-G244 WeakPolarHBondContact O-CA 3.31Å; A205-G244 PolarHBondContact O-N 2.91Å; S206-G244 WeakPolarHBondContact O-CA 3.17Å; G244-N246 PolarHBondContact O-N 2.88Å; G244-Q247 PolarHBondContact O-N 2.94Å; G244-Q247 VanDerWaalsContact O-N 3.15Å; G244-L248 WeakPolarHBondContact O-CB 3.5Å; G244-L248 PolarHBondContact O-N 3.17Å
245Q96.1Very high97.5Very high43 Ų4318.6 Ų18.620%0.2019%0.093CC..Hα-helixtrans-56.1-48.6-169.4-174.7-174.82100112.3F202 G203 G204 Q247 L248 L249 A354 I358 S409F202-Q245 HydrophobicContact CD2-CB 4.43Å; F202-Q245 HydrophobicContact CE2-CB 3.97Å; F202-Q245 HydrophobicContact CZ-CB 4.05Å; G203-Q245 PolarHBondContact O-N 3.24Å; G204-Q245 PolarHBondContact O-N 3.19Å; Q245-Q247 PolarHBondContact O-N 2.68Å; Q245-L248 PolarHBondContact O-N 3.22Å; Q245-L249 HydrophobicContact CG-CD1 4.19Å; Q245-L249 VanDerWaalsContact O-CG 3.25Å; Q245-L249 WeakPolarHBondContact O-CG 3.33Å; Q245-L249 PolarHBondContact O-N 2.76Å; Q245-A354 HydrophobicContact CB-CB 4.31Å; Q245-I358 HydrophobicContact CG-CD1 4.45Å; Q245-S409 PolarHBondContact NE2-OG 3.02Å
246N95.5Very high97.6Very high68 Ų6818.6 Ų18.636%0.3649%0.094SC..Hα-helixtrans-66.5-40.2-178-63.5-19000111.2S49 G204 G244 K250S49-N246 PolarHBondContact OG-ND2 3.36Å; G204-N246 WeakPolarHBondContact O-CA 3.44Å; G204-N246 WeakPolarHBondContact O-CB 3.28Å; G204-N246 PolarHBondContact O-N 2.85Å; G244-N246 PolarHBondContact O-N 2.88Å; N246-K250 WeakPolarHBondContact O-CG 3.37Å; N246-K250 PolarHBondContact O-N 3.43Å
247Q97.7Very high97.4Very high22 Ų2218.6 Ų18.610%0.1039%0.094CC..Hα-helixtrans-71.7-36.6179.4-63.6-61.6-18.600112.1L127 G204 A205 C242 G244 Q245 K250 K251 S287 C289L127-Q247 HydrophobicContact CD1-CG 3.95Å; G204-Q247 PolarHBondContact O-N 2.67Å; A205-Q247 HydrophobicContact CB-CG 3.96Å; C242-Q247 WeakPolarHBondContact O-CB 3.39Å; G244-Q247 PolarHBondContact O-N 2.94Å; G244-Q247 VanDerWaalsContact O-N 3.15Å; Q245-Q247 PolarHBondContact O-N 2.68Å; Q247-K250 PolarHBondContact O-N 2.83Å; Q247-K251 WeakPolarHBondContact O-CB 3.49Å; Q247-K251 WeakPolarHBondContact O-CG 3.45Å; Q247-K251 PolarHBondContact O-N 2.98Å; Q247-S287 PolarHBondContact OE1-OG 2.87Å; Q247-C289 HydrophobicContact CB-CB 4.35Å; Q247-C289 PolarHBondContact OE1-SG 3.31Å
248L97.4Very high97.3Very high0 Ų023.2 Ų23.20%011%0.114CC..Hα-helixtrans-64.7-42173-81.5168.4000112.4F202 Y243 G244 Q245 K250 K251 L252 L324 L412F202-L248 HydrophobicContact CE2-CD1 4.14Å; F202-L248 HydrophobicContact CZ-CD1 4.07Å; Y243-L248 HydrophobicContact CD1-CD1 4.37Å; Y243-L248 HydrophobicContact CD1-CD2 3.73Å; Y243-L248 HydrophobicContact CD1-CG 4.41Å; Y243-L248 HydrophobicContact CE1-CD2 4.17Å; Y243-L248 HydrophobicContact CG-CD2 4.44Å; Y243-L248 WeakPolarHBondContact O-CD1 3.2Å; G244-L248 WeakPolarHBondContact O-CB 3.5Å; G244-L248 PolarHBondContact O-N 3.17Å; Q245-L248 PolarHBondContact O-N 3.22Å; L248-K250 VanDerWaalsContact C-N 3.3Å; L248-K250 PolarHBondContact O-N 3.06Å; L248-K251 PolarHBondContact O-N 3.08Å; L248-L252 VanDerWaalsContact O-CB 3.27Å; L248-L252 WeakPolarHBondContact O-CB 3.46Å; L248-L252 PolarHBondContact O-N 3.01Å; L248-L324 HydrophobicContact CD2-CD1 4.1Å; L248-L412 HydrophobicContact CB-CD1 3.83Å; L248-L412 HydrophobicContact CB-CD2 3.9Å; L248-L412 HydrophobicContact CD1-CD2 4.11Å; L248-L412 HydrophobicContact CD2-CD2 4.21Å; L248-L412 HydrophobicContact CG-CD2 4.29Å
249L96.9Very high97.2Very high25 Ų2525.5 Ų25.513%0.13113%0.133CC..Hα-helixtrans-61.6-39.6173.9-69.2171.4000111.4Q245 L253 N405 A408 L412Q245-L249 HydrophobicContact CG-CD1 4.19Å; Q245-L249 VanDerWaalsContact O-CG 3.25Å; Q245-L249 WeakPolarHBondContact O-CG 3.33Å; Q245-L249 PolarHBondContact O-N 2.76Å; L249-L253 WeakPolarHBondContact O-CB 3.44Å; L249-L253 PolarHBondContact O-N 3.47Å; L249-N405 HydrophobicContact CD1-CB 4.07Å; L249-N405 HydrophobicContact CD2-CB 4.31Å; L249-A408 HydrophobicContact CD2-CB 3.54Å; L249-L412 HydrophobicContact CD2-CD1 3.83Å; L249-L412 HydrophobicContact CG-CD1 4.15Å
250K97Very high97Very high48 Ų4828.3 Ų28.321%0.20915%0.145CC..Hα-helixtrans-65.6-45173.5-71.8178.7-177.3-150.50112.3N246 Q247 L248 L253 A254 N283 T290N246-K250 WeakPolarHBondContact O-CG 3.37Å; N246-K250 PolarHBondContact O-N 3.43Å; Q247-K250 PolarHBondContact O-N 2.83Å; L248-K250 VanDerWaalsContact C-N 3.3Å; L248-K250 PolarHBondContact O-N 3.06Å; K250-L253 PolarHBondContact O-N 3.2Å; K250-A254 VanDerWaalsContact O-CB 3.27Å; K250-A254 WeakPolarHBondContact O-CB 3.04Å; K250-A254 PolarHBondContact O-N 2.75Å; K250-N283 WeakPolarHBondContact CD-O 3.14Å; K250-N283 VanDerWaalsContact CE-O 3.26Å; K250-N283 WeakPolarHBondContact CE-O 3.31Å; K250-N283 VanDerWaalsContact CE-OD1 3.28Å; K250-N283 WeakPolarHBondContact CE-OD1 3.35Å; K250-N283 PolarHBondContact NZ-O 3.24Å; K250-N283 PolarHBondContact NZ-OD1 2.97Å; K250-T290 HydrophobicContact CB-CG2 3.97Å
251K97.6Very high96.8Very high13 Ų1330.6 Ų30.66%0.05717%0.171CC..Hα-helixtrans-59.8-48176.5-75.9178.670.41800111.4C242 Y243 Q247 L248 L253 A254 Q255 C289 T290 Y293 L324C242-K251 HydrophobicContact CB-CD 4.37Å; Y243-K251 PolarHBondContact OH-NZ 3.3Å; Q247-K251 WeakPolarHBondContact O-CB 3.49Å; Q247-K251 WeakPolarHBondContact O-CG 3.45Å; Q247-K251 PolarHBondContact O-N 2.98Å; L248-K251 PolarHBondContact O-N 3.08Å; K251-L253 PolarHBondContact O-N 3.36Å; K251-A254 PolarHBondContact O-N 2.93Å; K251-Q255 WeakPolarHBondContact O-CB 3.2Å; K251-Q255 PolarHBondContact O-N 3.21Å; K251-C289 HydrophobicContact CD-CB 4.44Å; K251-C289 HydrophobicContact CG-CB 4.34Å; K251-C289 VanDerWaalsContact CG-O 3.32Å; K251-C289 WeakPolarHBondContact CG-O 3.41Å; K251-T290 HydrophobicContact CG-CG2 4.25Å; K251-Y293 HydrophobicContact CB-CE2 4.45Å; K251-L324 HydrophobicContact CB-CD2 3.89Å
252L97.9Very high96.5Very high1 Ų131 Ų311%0.00517%0.17CC..Hα-helixtrans-56.8-50.3176.7178.460.9000111.3L248 Q255 I256 C270 N320 V321 L324 A408L248-L252 VanDerWaalsContact O-CB 3.27Å; L248-L252 WeakPolarHBondContact O-CB 3.46Å; L248-L252 PolarHBondContact O-N 3.01Å; L252-Q255 PolarHBondContact O-N 3Å; L252-I256 HydrophobicContact CD1-CD1 3.82Å; L252-I256 HydrophobicContact CD1-CG1 4.42Å; L252-I256 HydrophobicContact CG-CD1 3.89Å; L252-I256 WeakPolarHBondContact O-CD1 3.38Å; L252-I256 VanDerWaalsContact O-CG1 3.3Å; L252-I256 WeakPolarHBondContact O-CG1 3.44Å; L252-I256 PolarHBondContact O-N 3.33Å; L252-C270 HydrophobicContact CD2-CB 4.45Å; L252-N320 HydrophobicContact CD1-CB 3.72Å; L252-V321 HydrophobicContact CD1-CG2 3.87Å; L252-V321 HydrophobicContact CD2-CG2 3.86Å; L252-V321 HydrophobicContact CG-CG2 4.48Å; L252-L324 HydrophobicContact CB-CD1 4.06Å; L252-L324 HydrophobicContact CD1-CD1 4.46Å; L252-A408 HydrophobicContact CD2-CB 4.16Å
253L96.7Very high96.2Very high18 Ų1831.5 Ų31.59%0.09418%0.175CC..Hα-helixtrans-63.4-43.6179178.655.4000111.6L249 K250 K251 Q255 I256 V257 L279 I284 L308L249-L253 WeakPolarHBondContact O-CB 3.44Å; L249-L253 PolarHBondContact O-N 3.47Å; K250-L253 PolarHBondContact O-N 3.2Å; K251-L253 PolarHBondContact O-N 3.36Å; L253-Q255 PolarHBondContact O-N 3.48Å; L253-I256 PolarHBondContact O-N 2.97Å; L253-V257 HydrophobicContact CD1-CG2 4.02Å; L253-V257 HydrophobicContact CG-CG2 4.47Å; L253-V257 WeakPolarHBondContact O-CB 3.38Å; L253-V257 WeakPolarHBondContact O-CG2 3.48Å; L253-V257 PolarHBondContact O-N 2.94Å; L253-L279 HydrophobicContact CD1-CD1 4.24Å; L253-I284 HydrophobicContact CD2-CD1 3.5Å; L253-I284 HydrophobicContact CD2-CG1 3.72Å; L253-I284 HydrophobicContact CG-CD1 3.69Å; L253-I284 HydrophobicContact CG-CG1 4.1Å; L253-L308 HydrophobicContact CD1-CD1 4.09Å; L253-L308 HydrophobicContact CD1-CD2 3.65Å; L253-L308 HydrophobicContact CD1-CG 4.49Å; L253-L308 HydrophobicContact CD2-CD1 4.37Å
254A97.1Very high95.9Very high0 Ų035.6 Ų35.60%020%0.203CC..Hα-helixtrans-61.1-43.2177.500000112.4K250 K251 V257 K258 I284 F285 T290 Y293K250-A254 VanDerWaalsContact O-CB 3.27Å; K250-A254 WeakPolarHBondContact O-CB 3.04Å; K250-A254 PolarHBondContact O-N 2.75Å; K251-A254 PolarHBondContact O-N 2.93Å; A254-V257 PolarHBondContact O-N 3.41Å; A254-K258 WeakPolarHBondContact O-CB 3.42Å; A254-K258 PolarHBondContact O-N 3.46Å; A254-I284 HydrophobicContact CB-CG2 3.55Å; A254-F285 HydrophobicContact CB-CE1 3.83Å; A254-F285 HydrophobicContact CB-CZ 4.23Å; A254-T290 HydrophobicContact CB-CG2 3.93Å; A254-Y293 HydrophobicContact CB-CD2 3.89Å; A254-Y293 HydrophobicContact CB-CG 3.96Å
255Q97.4Very high95.8Very high16 Ų1640.4 Ų40.48%0.07523%0.225CC..Hα-helixtrans-62-47.6175.8179.4179.6-39.900111.6K251 L252 L253 V257 K258 S259 Y293 N320 E323K251-Q255 WeakPolarHBondContact O-CB 3.2Å; K251-Q255 PolarHBondContact O-N 3.21Å; L252-Q255 PolarHBondContact O-N 3Å; L253-Q255 PolarHBondContact O-N 3.48Å; Q255-V257 PolarHBondContact O-N 3.1Å; Q255-K258 PolarHBondContact O-N 2.99Å; Q255-S259 WeakPolarHBondContact O-CB 3.34Å; Q255-S259 PolarHBondContact O-N 2.98Å; Q255-Y293 HydrophobicContact CB-CD1 4Å; Q255-Y293 HydrophobicContact CB-CE1 3.63Å; Q255-Y293 HydrophobicContact CG-CE1 3.94Å; Q255-Y293 PolarHBondContact OE1-OH 3.31Å; Q255-N320 PolarHBondContact NE2-O 3.31Å; Q255-N320 VanDerWaalsContact NE2-O 3.14Å; Q255-E323 PolarHBondContact NE2-OE2 3.12Å
256I97.2Very high95.8Very high1 Ų138.3 Ų38.31%0.00522%0.216CC..Hα-helixtrans-61-47.1178.8-70.9163000110.5L252 L253 K258 S259 Q260 V266 H268 P269 N320L252-I256 HydrophobicContact CD1-CD1 3.82Å; L252-I256 HydrophobicContact CD1-CG1 4.42Å; L252-I256 HydrophobicContact CG-CD1 3.89Å; L252-I256 WeakPolarHBondContact O-CD1 3.38Å; L252-I256 VanDerWaalsContact O-CG1 3.3Å; L252-I256 WeakPolarHBondContact O-CG1 3.44Å; L252-I256 PolarHBondContact O-N 3.33Å; L253-I256 PolarHBondContact O-N 2.97Å; I256-K258 VanDerWaalsContact C-N 3.34Å; I256-K258 PolarHBondContact O-N 3.17Å; I256-S259 PolarHBondContact O-N 2.95Å; I256-S259 PolarHBondContact O-OG 2.96Å; I256-Q260 PolarHBondContact O-N 3.02Å; I256-Q260 VanDerWaalsContact O-N 3.1Å; I256-V266 HydrophobicContact CG2-CG1 3.79Å; I256-H268 WeakPolarHBondContact CD1-NE2 3.3Å; I256-P269 HydrophobicContact CD1-CG 4.45Å; I256-N320 HydrophobicContact CG1-CB 4.48Å
257V95.6Very high95.9Very high0 Ų037.7 Ų37.70%022%0.216CC..Hα-helixtrans-59-45.8178.2172.40000111.1L253 A254 Q255 Q260 G261 Y262 V266 L279 F285L253-V257 HydrophobicContact CD1-CG2 4.02Å; L253-V257 HydrophobicContact CG-CG2 4.47Å; L253-V257 WeakPolarHBondContact O-CB 3.38Å; L253-V257 WeakPolarHBondContact O-CG2 3.48Å; L253-V257 PolarHBondContact O-N 2.94Å; A254-V257 PolarHBondContact O-N 3.41Å; Q255-V257 PolarHBondContact O-N 3.1Å; V257-Q260 PolarHBondContact O-N 3.38Å; V257-G261 PolarHBondContact O-N 2.88Å; V257-Y262 HydrophobicContact CG1-CD1 3.59Å; V257-Y262 HydrophobicContact CG1-CE1 4.19Å; V257-Y262 HydrophobicContact CG1-CG 4.42Å; V257-Y262 PolarHBondContact O-N 3.17Å; V257-V266 HydrophobicContact CG2-CG1 4.05Å; V257-V266 HydrophobicContact CG2-CG2 4.28Å; V257-L279 HydrophobicContact CG2-CD1 3.51Å; V257-F285 HydrophobicContact CG1-CZ 4.42Å
258K95.5Very high95.8Very high97 Ų9736.7 Ų36.742%0.42221%0.212SC..Hα-helixtrans-63.1-44176.5178.5172.3-177-176.20111.9A254 Q255 I256 Q260 G261 Y262 Q292 Y293A254-K258 WeakPolarHBondContact O-CB 3.42Å; A254-K258 PolarHBondContact O-N 3.46Å; Q255-K258 PolarHBondContact O-N 2.99Å; I256-K258 VanDerWaalsContact C-N 3.34Å; I256-K258 PolarHBondContact O-N 3.17Å; K258-Q260 PolarHBondContact O-N 3.27Å; K258-G261 PolarHBondContact O-N 3.31Å; K258-Y262 HydrophobicContact CB-CE1 4.19Å; K258-Y262 HydrophobicContact CG-CE2 4.42Å; K258-Y262 WeakPolarHBondContact CG-OH 3.22Å; K258-Q292 PolarHBondContact NZ-O 3.41Å; K258-Y293 HydrophobicContact CD-CD1 4.09Å
259S96Very high95.9Very high80 Ų8037.1 Ų37.156%0.55921%0.214SC*.Hα-helixtrans-62.2-28.4-179.775.60000113.1Q255 I256 G261Q255-S259 WeakPolarHBondContact O-CB 3.34Å; Q255-S259 PolarHBondContact O-N 2.98Å; I256-S259 PolarHBondContact O-N 2.95Å; I256-S259 PolarHBondContact O-OG 2.96Å; S259-G261 VanDerWaalsContact C-N 3.33Å
260Q95.9Very high95.9Very high71 Ų7135.9 Ų35.933%0.33221%0.208SC..THydrogen-bonded Turntrans-95.517.3176.7-67.6177.444.100112.6I256 V257 K258 Y262 A263 S267I256-Q260 PolarHBondContact O-N 3.02Å; I256-Q260 VanDerWaalsContact O-N 3.1Å; V257-Q260 PolarHBondContact O-N 3.38Å; K258-Q260 PolarHBondContact O-N 3.27Å; Q260-Y262 VanDerWaalsContact C-N 3.29Å; Q260-Y262 PolarHBondContact O-N 3.12Å; Q260-A263 WeakPolarHBondContact O-CB 3.25Å; Q260-A263 PolarHBondContact O-N 2.9Å; Q260-S267 PolarHBondContact NE2-O 3.22Å
261G93Very high95.9Very high56 Ų5634.5 Ų34.558%0.57720%0.202SC*.THydrogen-bonded Turntrans65.328.9173.600000114.3V257 K258 S259 A263V257-G261 PolarHBondContact O-N 2.88Å; K258-G261 PolarHBondContact O-N 3.31Å; S259-G261 VanDerWaalsContact C-N 3.33Å; G261-A263 PolarHBondContact O-N 3.12Å
262Y91.9Very high95.8Very high59 Ų5934 Ų3423%0.23120%0.2CC..THydrogen-bonded Turntrans57.434.4-178.9-47.4-85000113.2V257 K258 Q260 F285 Y293 P295V257-Y262 HydrophobicContact CG1-CD1 3.59Å; V257-Y262 HydrophobicContact CG1-CE1 4.19Å; V257-Y262 HydrophobicContact CG1-CG 4.42Å; V257-Y262 PolarHBondContact O-N 3.17Å; K258-Y262 HydrophobicContact CB-CE1 4.19Å; K258-Y262 HydrophobicContact CG-CE2 4.42Å; K258-Y262 WeakPolarHBondContact CG-OH 3.22Å; Q260-Y262 VanDerWaalsContact C-N 3.29Å; Q260-Y262 PolarHBondContact O-N 3.12Å; Y262-F285 HydrophobicContact CE1-CZ 4.16Å; Y262-Y293 PolarHBondContact OH-O 3.16Å; Y262-P295 HydrophobicContact CD1-CB 3.99Å; Y262-P295 HydrophobicContact CD1-CG 3.82Å; Y262-P295 HydrophobicContact CD2-CB 4.24Å; Y262-P295 HydrophobicContact CE1-CB 3.64Å; Y262-P295 HydrophobicContact CE1-CG 3.57Å; Y262-P295 HydrophobicContact CE2-CB 3.87Å; Y262-P295 HydrophobicContact CG-CB 4.3Å
263A91.9Very high95.7Very high31 Ų3135.2 Ų35.226%0.25621%0.21SC..  trans-59.8152-178.200000113.1Q260 G261 E265 V266 L306Q260-A263 WeakPolarHBondContact O-CB 3.25Å; Q260-A263 PolarHBondContact O-N 2.9Å; G261-A263 PolarHBondContact O-N 3.12Å; A263-E265 PolarHBondContact O-N 2.83Å; A263-E265 VanDerWaalsContact O-N 3.17Å; A263-V266 WeakPolarHBondContact O-CG2 3.49Å; A263-L306 VanDerWaalsContact O-CD2 3.3Å; A263-L306 WeakPolarHBondContact O-CD2 3.31Å; A263-L306 WeakPolarHBondContact O-CG 3.43Å
264P91.3Very high95.6Very high99 Ų9940.5 Ų40.564%0.64324%0.238SC*.SBendtrans-57.8-27.4175.9-25.735000114.2L306 T307P264-L306 CarbonylContact O-C 3.53Å; P264-L306 WeakPolarHBondContact O-CA 3.32Å; P264-T307 PolarHBondContact O-N 2.92Å
265E95.4Very high95.5Very high100 Ų10041.2 Ų41.247%0.46724%0.242SC..EExtended strand (participates in β ladder)trans-121.9121.9173.9-169.9175100.500109A263 T307 R309A263-E265 PolarHBondContact O-N 2.83Å; A263-E265 VanDerWaalsContact O-N 3.17Å; E265-T307 WeakPolarHBondContact CA-O 3.24Å; E265-R309 HydrophobicContact CG-CG 4.14Å; E265-R309 WeakPolarHBondContact OE1-CD 3.35Å; E265-R309 IonicContact OE1-NE 2.74Å; E265-R309 PolarHBondContact OE1-NE 2.9Å; E265-R309 IonicContact OE2-CZ 3.66Å; E265-R309 IonicContact OE2-NE 2.96Å; E265-R309 PolarHBondContact OE2-NE 2.68Å; E265-R309 IonicContact OE2-NH2 3.93Å; E265-R309 PolarHBondContact OE2-NH2 2.9Å
266V96.3Very high95.4Very high0 Ų044 Ų440%026%0.26CS..EExtended strand (participates in β ladder)trans-114.6121.5-177.1179.10000109.2I256 V257 A263 L279 L306 T307 L308 R309I256-V266 HydrophobicContact CG2-CG1 3.79Å; V257-V266 HydrophobicContact CG2-CG1 4.05Å; V257-V266 HydrophobicContact CG2-CG2 4.28Å; A263-V266 WeakPolarHBondContact O-CG2 3.49Å; V266-L279 HydrophobicContact CG2-CD1 4.43Å; V266-L306 HydrophobicContact CG2-CD2 4.26Å; V266-T307 PolarHBondContact N-O 2.47Å; V266-L308 HydrophobicContact CB-CD2 4.08Å; V266-L308 HydrophobicContact CG1-CD2 4.09Å; V266-L308 WeakPolarHBondContact O-CA 3.36Å; V266-R309 PolarHBondContact O-N 2.88Å
267S97.4Very high95.2Very high54 Ų5444.6 Ų44.638%0.37827%0.266SS..EExtended strand (participates in β ladder)trans-87.2120.4176.8-169.70000110.7Q260 R309Q260-S267 PolarHBondContact NE2-O 3.22Å; S267-R309 CarbonylContact C-O 3.58Å; S267-R309 WeakPolarHBondContact CA-O 3.32Å
268H97.3Very high95Very high2 Ų250.4 Ų50.41%0.00930%0.304CS..EExtended strand (participates in β ladder)trans-108.9108.5-176.4-164.9-57.7000110.8I256 C270 Y271 L308 R309 S311I256-H268 WeakPolarHBondContact CD1-NE2 3.3Å; H268-C270 VanDerWaalsContact C-N 3.3Å; H268-C270 PolarHBondContact ND1-N 3.17Å; H268-C270 PolarHBondContact O-N 3.4Å; H268-Y271 HydrophobicContact CB-CD2 4.13Å; H268-Y271 HydrophobicContact CB-CG 4.02Å; H268-Y271 AromaticContact CE1-CD1 3.87Å; H268-Y271 AromaticContact CG-CD1 3.94Å; H268-Y271 AromaticContact CG-CG 3.83Å; H268-Y271 AromaticContact ND1-CD1 3.62Å; H268-Y271 AromaticContact ND1-CG 3.86Å; H268-Y271 PolarHBondContact ND1-N 3.12Å; H268-Y271 PolarHBondContact O-N 3.26Å; H268-Y271 VanDerWaalsContact O-N 3.11Å; H268-L308 HydrophobicContact CB-CD2 4.25Å; H268-R309 PolarHBondContact N-O 3.15Å; H268-S311 PolarHBondContact O-N 3.38Å
269P97.8Very high94.7Very high8 Ų846.2 Ų46.25%0.05229%0.286CS..THydrogen-bonded Turntrans-66.1-29.6-173.524.7-34000114.1I256 S311 G312 H313 N316 C317I256-P269 HydrophobicContact CD1-CG 4.45Å; P269-S311 WeakPolarHBondContact CA-OG 3.34Å; P269-G312 PolarHBondContact O-N 3.2Å; P269-H313 HydrophobicContact CB-CB 4.23Å; P269-H313 PolarHBondContact O-N 3.09Å; P269-N316 HydrophobicContact CB-CB 3.61Å; P269-N316 HydrophobicContact CG-CB 4.1Å; P269-C317 HydrophobicContact CB-CB 4.38Å
270C97.7Very high94.3Very high0 Ų046.8 Ų46.80%028%0.283CS..THydrogen-bonded Turntrans-83.6-7.9177.3-46.30000114.7L252 H268 C317 C407 A408L252-C270 HydrophobicContact CD2-CB 4.45Å; H268-C270 VanDerWaalsContact C-N 3.3Å; H268-C270 PolarHBondContact ND1-N 3.17Å; H268-C270 PolarHBondContact O-N 3.4Å; C270-C317 VanDerWaalsContact CA-SG 3.53Å; C270-C317 HydrophobicContact CB-CB 3.88Å; C270-C317 WeakPolarHBondContact CB-SG 3.33Å; C270-C317 WeakPolarHBondContact SG-CA 3.42Å; C270-C317 WeakPolarHBondContact SG-CB 3.46Å; C270-C317 CovalentContact SG-SG 2.01Å; C270-C317 PolarHBondContact SG-SG 3.16Å; C270-C407 VanDerWaalsContact O-CB 3.25Å; C270-C407 WeakPolarHBondContact O-CB 2.97Å; C270-A408 HydrophobicContact CB-CB 3.62Å
271Y96.7Very high94Very high18 Ų1843.6 Ų43.67%0.07127%0.268CS..SBendtrans-88145.2174.3-80.410.1000108.5H268 F275 L308 G310 S311 G312 N405H268-Y271 HydrophobicContact CB-CD2 4.13Å; H268-Y271 HydrophobicContact CB-CG 4.02Å; H268-Y271 AromaticContact CE1-CD1 3.87Å; H268-Y271 AromaticContact CG-CD1 3.94Å; H268-Y271 AromaticContact CG-CG 3.83Å; H268-Y271 AromaticContact ND1-CD1 3.62Å; H268-Y271 AromaticContact ND1-CG 3.86Å; H268-Y271 PolarHBondContact ND1-N 3.12Å; H268-Y271 PolarHBondContact O-N 3.26Å; H268-Y271 VanDerWaalsContact O-N 3.11Å; Y271-F275 AromaticContact CD2-CD1 3.57Å; Y271-F275 HydrophobicContact CD2-CD1 3.57Å; Y271-F275 AromaticContact CD2-CE1 3.53Å; Y271-F275 HydrophobicContact CD2-CE1 3.53Å; Y271-F275 HydrophobicContact CD2-CZ 4.46Å; Y271-F275 HydrophobicContact CE2-CD1 4.28Å; Y271-F275 AromaticContact CE2-CE1 3.76Å; Y271-F275 HydrophobicContact CE2-CE1 3.76Å; Y271-F275 HydrophobicContact CE2-CZ 4.42Å; Y271-F275 HydrophobicContact CG-CD1 4.37Å; Y271-L308 HydrophobicContact CE2-CD1 4.15Å; Y271-G310 CarbonylContact O-C 3.49Å; Y271-G310 WeakPolarHBondContact O-CA 3.5Å; Y271-S311 PolarHBondContact O-N 2.88Å; Y271-G312 WeakPolarHBondContact O-CA 3.45Å; Y271-G312 PolarHBondContact O-N 3.46Å; Y271-N405 VanDerWaalsContact CE1-OD1 3.26Å; Y271-N405 WeakPolarHBondContact CE1-OD1 3.34Å
272P96.2Very high93.8Very high3 Ų346.3 Ų46.32%0.01926%0.264CS..PPolyproline II helixtrans-64.4146.4-174.424.6-32.1000111.6N274 F275 G310 M386 W388 L391 R404P272-N274 PolarHBondContact O-N 3.19Å; P272-F275 HydrophobicContact CG-CB 4.13Å; P272-F275 WeakPolarHBondContact O-CB 3.38Å; P272-F275 PolarHBondContact O-N 3.39Å; P272-F275 VanDerWaalsContact O-N 3.11Å; P272-G310 CarbonylContact O-C 3.55Å; P272-G310 WeakPolarHBondContact O-CA 3.49Å; P272-M386 WeakPolarHBondContact CB-O 3.47Å; P272-W388 HydrophobicContact CG-CB 4.46Å; P272-W388 HydrophobicContact CG-CD2 4.44Å; P272-W388 HydrophobicContact CG-CE3 3.53Å; P272-W388 HydrophobicContact CG-CZ3 4.18Å; P272-L391 HydrophobicContact CB-CD1 3.52Å; P272-L391 HydrophobicContact CG-CD1 3.75Å; P272-R404 WeakPolarHBondContact CD-O 3.3Å
273A96.2Very high93.6Very high27 Ų2747.8 Ų47.822%0.22328%0.275CS..BIsolated β-bridgetrans-53.8142.3178.800000111.3F275 G310 N387 W388A273-F275 PolarHBondContact O-N 2.98Å; A273-G310 WeakPolarHBondContact CA-O 3.37Å; A273-N387 HydrophobicContact CB-CB 4.18Å; A273-W388 PolarHBondContact O-N 3.03Å
274N94.6Very high93.6Very high128 Ų12846.4 Ų46.468%0.68426%0.264SS*.THydrogen-bonded Turntrans67.63.8-177.1-52.1-27.6000115.6P272 T276 G310P272-N274 PolarHBondContact O-N 3.19Å; N274-T276 PolarHBondContact O-N 2.88Å; N274-G310 PolarHBondContact N-O 2.7Å
275F94.9Very high93.7Very high16 Ų1641.7 Ų41.77%0.0723%0.233CC..  trans-65.9134.1165.7175-93.7000109.7Y271 P272 A273 L308 R309 G310 W388 R404Y271-F275 AromaticContact CD2-CD1 3.57Å; Y271-F275 HydrophobicContact CD2-CD1 3.57Å; Y271-F275 AromaticContact CD2-CE1 3.53Å; Y271-F275 HydrophobicContact CD2-CE1 3.53Å; Y271-F275 HydrophobicContact CD2-CZ 4.46Å; Y271-F275 HydrophobicContact CE2-CD1 4.28Å; Y271-F275 AromaticContact CE2-CE1 3.76Å; Y271-F275 HydrophobicContact CE2-CE1 3.76Å; Y271-F275 HydrophobicContact CE2-CZ 4.42Å; Y271-F275 HydrophobicContact CG-CD1 4.37Å; P272-F275 HydrophobicContact CG-CB 4.13Å; P272-F275 WeakPolarHBondContact O-CB 3.38Å; P272-F275 PolarHBondContact O-N 3.39Å; P272-F275 VanDerWaalsContact O-N 3.11Å; A273-F275 PolarHBondContact O-N 2.98Å; F275-L308 HydrophobicContact CE1-CB 4.45Å; F275-R309 WeakPolarHBondContact O-CA 3.34Å; F275-G310 PolarHBondContact O-N 3.06Å; F275-W388 HydrophobicContact CB-CB 4.32Å; F275-W388 HydrophobicContact CB-CD2 4.44Å; F275-W388 HydrophobicContact CB-CG 4.33Å; F275-W388 AromaticContact CD2-CD2 3.83Å; F275-W388 HydrophobicContact CD2-CD2 3.83Å; F275-W388 AromaticContact CD2-CE2 3.83Å; F275-W388 HydrophobicContact CD2-CE3 4Å; F275-W388 HydrophobicContact CD2-CG 4.38Å; F275-W388 HydrophobicContact CD2-CH2 4.16Å; F275-W388 HydrophobicContact CD2-CZ2 4Å; F275-W388 HydrophobicContact CD2-CZ3 4.16Å; F275-W388 HydrophobicContact CE2-CH2 4.26Å; F275-W388 HydrophobicContact CE2-CZ2 4.14Å; F275-R404 HydrophobicContact CD2-CB 4.31Å; F275-R404 HydrophobicContact CE2-CB 4.12Å
276T94.8Very high93.4Very high74 Ų7440.6 Ų40.645%0.45423%0.23SC..EExtended strand (participates in β ladder)trans-134.1136168.6-55.80000108.5N274 T307 L308N274-T276 PolarHBondContact O-N 2.88Å; T276-T307 HydrophobicContact CG2-CG2 3.53Å; T276-L308 VanDerWaalsContact CA-O 3.27Å; T276-L308 WeakPolarHBondContact CA-O 3.28Å
277G92.1Very high93.3Very high13 Ų1341 Ų4113%0.13423%0.233CC..EExtended strand (participates in β ladder)trans-161.4163178.400000113.1L308G277-L308 PolarHBondContact N-O 3.08Å; G277-L308 VanDerWaalsContact N-O 3.07Å; G277-L308 PolarHBondContact O-N 2.79Å
278P91.6Very high93.2Very high123 Ų12340.5 Ų40.580%0.79923%0.229SC*.EExtended strand (participates in β ladder)trans-68.3146.3175.730.1-34.5000110.8
279L89.3Confident93.2Very high8 Ų840.8 Ų40.84%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-101117.3170.6-172.1153.3000109.7L253 V257 V266 M281 I284 L306 L308L253-L279 HydrophobicContact CD1-CD1 4.24Å; V257-L279 HydrophobicContact CG2-CD1 3.51Å; V266-L279 HydrophobicContact CG2-CD1 4.43Å; L279-M281 HydrophobicContact CD2-CB 4.44Å; L279-M281 HydrophobicContact CD2-CG 3.65Å; L279-M281 HydrophobicContact CD2-SD 3.4Å; L279-M281 WeakPolarHBondContact CD2-SD 3.26Å; L279-M281 PolarHBondContact O-N 2.96Å; L279-I284 HydrophobicContact CD1-CD1 4.25Å; L279-I284 HydrophobicContact CD2-CD1 3.54Å; L279-I284 HydrophobicContact CG-CD1 3.8Å; L279-L306 HydrophobicContact CB-CB 3.83Å; L279-L306 HydrophobicContact CD1-CB 4.44Å; L279-L306 HydrophobicContact CD1-CD2 4.46Å; L279-L306 HydrophobicContact CD2-CB 4.23Å; L279-L306 HydrophobicContact CD2-CD2 4.4Å; L279-L306 HydrophobicContact CG-CB 4.39Å; L279-L306 PolarHBondContact N-O 3.4Å; L279-L308 HydrophobicContact CB-CD1 3.91Å; L279-L308 HydrophobicContact CB-CG 3.97Å; L279-L308 HydrophobicContact CD1-CD1 4Å; L279-L308 HydrophobicContact CD1-CD2 3.91Å; L279-L308 HydrophobicContact CD1-CG 3.81Å; L279-L308 HydrophobicContact CG-CD1 4Å; L279-L308 HydrophobicContact CG-CG 4.22Å
280D88.3Confident93.2Very high92 Ų9240.4 Ų40.449%0.49223%0.229SC..  trans-90.7101.1173-177.90.5000110.6K282 N283 I284D280-K282 PolarHBondContact O-N 2.78Å; D280-K282 WeakPolarHBondContact OD1-CA 3.38Å; D280-K282 VanDerWaalsContact OD1-CB 3.23Å; D280-K282 WeakPolarHBondContact OD1-CB 3.46Å; D280-K282 PolarHBondContact OD1-N 2.78Å; D280-N283 HydrophobicContact CB-CB 4.04Å; D280-N283 PolarHBondContact O-N 2.65Å; D280-N283 PolarHBondContact OD1-N 2.84Å; D280-N283 WeakPolarHBondContact OD2-CB 3.43Å; D280-I284 WeakPolarHBondContact O-CD1 3.13Å; D280-I284 WeakPolarHBondContact O-CG1 3.27Å; D280-I284 PolarHBondContact O-N 3.13Å
281M89.9Confident93Very high4 Ų445.4 Ų45.42%0.0225%0.252CS..Hα-helixtrans-60.2-33.3178.4-69.1-72.7-74.400111.7L279 I284 F285 P295 Y298 W304 L306L279-M281 HydrophobicContact CD2-CB 4.44Å; L279-M281 HydrophobicContact CD2-CG 3.65Å; L279-M281 HydrophobicContact CD2-SD 3.4Å; L279-M281 WeakPolarHBondContact CD2-SD 3.26Å; L279-M281 PolarHBondContact O-N 2.96Å; M281-I284 PolarHBondContact O-N 3.19Å; M281-F285 HydrophobicContact CB-CD2 4.35Å; M281-F285 HydrophobicContact CE-CD2 3.66Å; M281-F285 HydrophobicContact CE-CE2 3.36Å; M281-F285 HydrophobicContact CE-CZ 4.42Å; M281-F285 WeakPolarHBondContact O-CD2 3.23Å; M281-F285 PolarHBondContact O-N 3.45Å; M281-F285 HydrophobicContact SD-CD2 4.01Å; M281-F285 HydrophobicContact SD-CE2 3.58Å; M281-F285 VanDerWaalsContact SD-CE2 3.58Å; M281-P295 HydrophobicContact CE-CG 4.04Å; M281-Y298 HydrophobicContact CB-CE2 4.1Å; M281-Y298 HydrophobicContact CE-CD2 4.45Å; M281-W304 HydrophobicContact CB-CB 4.28Å; M281-W304 HydrophobicContact CB-CG 4.1Å; M281-W304 HydrophobicContact CE-CD2 4.12Å; M281-W304 HydrophobicContact CE-CE3 4.03Å; M281-W304 HydrophobicContact CE-CH2 4.48Å; M281-W304 HydrophobicContact CE-CZ3 4.21Å; M281-W304 HydrophobicContact CG-CB 3.55Å; M281-W304 HydrophobicContact CG-CD2 3.98Å; M281-W304 HydrophobicContact CG-CE3 4.41Å; M281-W304 HydrophobicContact CG-CG 3.59Å; M281-L306 HydrophobicContact SD-CD2 4.16Å
282K88.8Confident92.8Very high114 Ų11450.6 Ų50.650%0.49628%0.277SS..Hα-helixtrans-65.6-49.2-179.1-169.5-173.8173.4-176.80111.2D280 I284 F285 D286 Y298D280-K282 PolarHBondContact O-N 2.78Å; D280-K282 WeakPolarHBondContact OD1-CA 3.38Å; D280-K282 VanDerWaalsContact OD1-CB 3.23Å; D280-K282 WeakPolarHBondContact OD1-CB 3.46Å; D280-K282 PolarHBondContact OD1-N 2.78Å; K282-I284 PolarHBondContact O-N 2.78Å; K282-I284 VanDerWaalsContact O-N 3.16Å; K282-F285 PolarHBondContact O-N 2.84Å; K282-D286 WeakPolarHBondContact CE-OD2 3.18Å; K282-D286 WeakPolarHBondContact CG-OD2 3.49Å; K282-D286 VanDerWaalsContact O-CB 3.27Å; K282-D286 WeakPolarHBondContact O-CB 3.44Å; K282-D286 PolarHBondContact O-N 2.82Å; K282-Y298 VanDerWaalsContact CA-OH 3.31Å; K282-Y298 WeakPolarHBondContact CA-OH 3.26Å
283N87.3Confident92.8Very high89 Ų8951.6 Ų51.648%0.47628%0.281SS..Hα-helixtrans-59.6-29.3178.5-174.422.9000113K250 D280K250-N283 WeakPolarHBondContact CD-O 3.14Å; K250-N283 VanDerWaalsContact CE-O 3.26Å; K250-N283 WeakPolarHBondContact CE-O 3.31Å; K250-N283 VanDerWaalsContact CE-OD1 3.28Å; K250-N283 WeakPolarHBondContact CE-OD1 3.35Å; K250-N283 PolarHBondContact NZ-O 3.24Å; K250-N283 PolarHBondContact NZ-OD1 2.97Å; D280-N283 HydrophobicContact CB-CB 4.04Å; D280-N283 PolarHBondContact O-N 2.65Å; D280-N283 PolarHBondContact OD1-N 2.84Å; D280-N283 WeakPolarHBondContact OD2-CB 3.43Å
284I91.3Very high92.7Very high3 Ų353 Ų532%0.01528%0.282CS..Hα-helixtrans-81.9-55.6179.6-60.5159.2000110.9L253 A254 L279 D280 M281 K282 T290L253-I284 HydrophobicContact CD2-CD1 3.5Å; L253-I284 HydrophobicContact CD2-CG1 3.72Å; L253-I284 HydrophobicContact CG-CD1 3.69Å; L253-I284 HydrophobicContact CG-CG1 4.1Å; A254-I284 HydrophobicContact CB-CG2 3.55Å; L279-I284 HydrophobicContact CD1-CD1 4.25Å; L279-I284 HydrophobicContact CD2-CD1 3.54Å; L279-I284 HydrophobicContact CG-CD1 3.8Å; D280-I284 WeakPolarHBondContact O-CD1 3.13Å; D280-I284 WeakPolarHBondContact O-CG1 3.27Å; D280-I284 PolarHBondContact O-N 3.13Å; M281-I284 PolarHBondContact O-N 3.19Å; K282-I284 PolarHBondContact O-N 2.78Å; K282-I284 VanDerWaalsContact O-N 3.16Å; I284-T290 WeakPolarHBondContact O-CB 3.24Å; I284-T290 WeakPolarHBondContact O-CG2 3.49Å; I284-T290 PolarHBondContact O-OG1 3.35Å
285F93Very high92.5Very high0 Ų047.6 Ų47.60%025%0.253CS..Hα-helixtrans-94.5-9.2-164.5-66.7-66.3000114.9A254 V257 Y262 M281 K282 S287 Y293 K294 Y298A254-F285 HydrophobicContact CB-CE1 3.83Å; A254-F285 HydrophobicContact CB-CZ 4.23Å; V257-F285 HydrophobicContact CG1-CZ 4.42Å; Y262-F285 HydrophobicContact CE1-CZ 4.16Å; M281-F285 HydrophobicContact CB-CD2 4.35Å; M281-F285 HydrophobicContact CE-CD2 3.66Å; M281-F285 HydrophobicContact CE-CE2 3.36Å; M281-F285 HydrophobicContact CE-CZ 4.42Å; M281-F285 WeakPolarHBondContact O-CD2 3.23Å; M281-F285 PolarHBondContact O-N 3.45Å; M281-F285 HydrophobicContact SD-CD2 4.01Å; M281-F285 HydrophobicContact SD-CE2 3.58Å; M281-F285 VanDerWaalsContact SD-CE2 3.58Å; K282-F285 PolarHBondContact O-N 2.84Å; F285-S287 PolarHBondContact O-N 2.91Å; F285-Y293 WeakPolarHBondContact CE1-O 3.26Å; F285-K294 HydrophobicContact CB-CG 4.31Å; F285-K294 HydrophobicContact CD1-CB 3.92Å; F285-K294 HydrophobicContact CD1-CG 4.29Å; F285-K294 HydrophobicContact CG-CG 4.48Å; F285-K294 WeakPolarHBondContact O-CE 3.31Å; F285-K294 PolarHBondContact O-NZ 2.88Å; F285-Y298 HydrophobicContact CB-CD1 4.43Å; F285-Y298 HydrophobicContact CB-CD2 4.26Å; F285-Y298 HydrophobicContact CB-CE1 4.12Å; F285-Y298 HydrophobicContact CB-CE2 3.97Å; F285-Y298 HydrophobicContact CB-CG 4.49Å; F285-Y298 HydrophobicContact CD2-CD2 4.43Å; F285-Y298 HydrophobicContact CD2-CE2 4.4Å
286D91.1Very high92.2Very high76 Ų7656.9 Ų56.941%0.40630%0.297SS..THydrogen-bonded Turntrans-78.3-5.3171.8-73.85.8000112.7K282 Y298K282-D286 WeakPolarHBondContact CE-OD2 3.18Å; K282-D286 WeakPolarHBondContact CG-OD2 3.49Å; K282-D286 VanDerWaalsContact O-CB 3.27Å; K282-D286 WeakPolarHBondContact O-CB 3.44Å; K282-D286 PolarHBondContact O-N 2.82Å; D286-Y298 WeakPolarHBondContact OD1-CE1 3.4Å; D286-Y298 PolarHBondContact OD1-OH 2.87Å
287S93.7Very high91.8Very high9 Ų956.8 Ų56.86%0.06330%0.304CS..SBendtrans-82.2135.2174.5-174.90000111.4Q247 F285 C289 T290Q247-S287 PolarHBondContact OE1-OG 2.87Å; F285-S287 PolarHBondContact O-N 2.91Å; S287-C289 PolarHBondContact O-N 2.76Å; S287-C289 VanDerWaalsContact O-N 3.08Å; S287-C289 PolarHBondContact OG-N 3.05Å; S287-T290 PolarHBondContact O-N 3.42Å; S287-T290 VanDerWaalsContact O-N 3.13Å; S287-T290 PolarHBondContact O-OG1 3.13Å
288P95.3Very high91.6Very high43 Ų4357.7 Ų57.728%0.27930%0.303SS..G310 helixtrans-56-26.9170.2-26.937.1000113.4L127 I130 T290L127-P288 HydrophobicContact CD2-CB 4.47Å; I130-P288 HydrophobicContact CG2-CB 4.4Å; P288-T290 PolarHBondContact O-N 3.3Å
289C97.4Very high91.2Very high9 Ų955.3 Ų55.36%0.06128%0.284CS..G310 helixtrans-70.8-15.2-177.8-59.50000114.1L127 C242 Q247 K251 S287L127-C289 WeakPolarHBondContact CD2-SG 3.46Å; C242-C289 WeakPolarHBondContact CA-SG 3.28Å; C242-C289 HydrophobicContact CB-CB 3.54Å; C242-C289 WeakPolarHBondContact CB-SG 3.45Å; C242-C289 WeakPolarHBondContact SG-CA 3.39Å; C242-C289 WeakPolarHBondContact SG-CB 3.26Å; C242-C289 CovalentContact SG-SG 2.03Å; C242-C289 PolarHBondContact SG-SG 3.29Å; Q247-C289 HydrophobicContact CB-CB 4.35Å; Q247-C289 PolarHBondContact OE1-SG 3.31Å; K251-C289 HydrophobicContact CD-CB 4.44Å; K251-C289 HydrophobicContact CG-CB 4.34Å; K251-C289 VanDerWaalsContact CG-O 3.32Å; K251-C289 WeakPolarHBondContact CG-O 3.41Å; S287-C289 PolarHBondContact O-N 2.76Å; S287-C289 VanDerWaalsContact O-N 3.08Å; S287-C289 PolarHBondContact OG-N 3.05Å
290T96.8Very high90.8Very high0 Ų058.3 Ų58.30%030%0.304CS..G310 helixtrans-1157.2-176.256.40000113K250 K251 A254 I284 S287 P288 Q292 Y293 K294K250-T290 HydrophobicContact CB-CG2 3.97Å; K251-T290 HydrophobicContact CG-CG2 4.25Å; A254-T290 HydrophobicContact CB-CG2 3.93Å; I284-T290 WeakPolarHBondContact O-CB 3.24Å; I284-T290 WeakPolarHBondContact O-CG2 3.49Å; I284-T290 PolarHBondContact O-OG1 3.35Å; S287-T290 PolarHBondContact O-N 3.42Å; S287-T290 VanDerWaalsContact O-N 3.13Å; S287-T290 PolarHBondContact O-OG1 3.13Å; P288-T290 PolarHBondContact O-N 3.3Å; T290-Q292 VanDerWaalsContact C-N 3.28Å; T290-Q292 PolarHBondContact O-N 3.5Å; T290-Y293 PolarHBondContact O-N 2.87Å; T290-K294 PolarHBondContact O-N 2.95Å
291E94.1Very high90.4Very high105 Ų10562.5 Ų62.549%0.49132%0.321SS..G310 helixtrans-54.1-43-174.6-165.661.5-14500112.5Y293 K294E291-Y293 PolarHBondContact O-N 3.49Å; E291-Y293 VanDerWaalsContact O-N 3.08Å; E291-K294 VanDerWaalsContact CD-NZ 3.33Å; E291-K294 VanDerWaalsContact O-CB 3.25Å; E291-K294 WeakPolarHBondContact O-CB 3.37Å; E291-K294 PolarHBondContact O-N 2.74Å; E291-K294 IonicContact OE1-NZ 3.48Å; E291-K294 PolarHBondContact OE1-NZ 3.26Å; E291-K294 IonicContact OE2-NZ 3.7Å; E291-K294 PolarHBondContact OE2-NZ 3.37Å
292Q93.2Very high90Very high126 Ų12667.9 Ų67.959%0.58934%0.344SS*.G310 helixtrans-63.1-17179.268.1-177.10.300114.8K258 T290K258-Q292 PolarHBondContact NZ-O 3.41Å; T290-Q292 VanDerWaalsContact C-N 3.28Å; T290-Q292 PolarHBondContact O-N 3.5Å
293Y95.1Very high89.4Confident25 Ų2569.8 Ų69.810%0.09836%0.359CS..G310 helixtrans-101.3-8.4179.3-53.7-74.4000112.9K251 A254 Q255 K258 Y262 F285 T290 E291K251-Y293 HydrophobicContact CB-CE2 4.45Å; A254-Y293 HydrophobicContact CB-CD2 3.89Å; A254-Y293 HydrophobicContact CB-CG 3.96Å; Q255-Y293 HydrophobicContact CB-CD1 4Å; Q255-Y293 HydrophobicContact CB-CE1 3.63Å; Q255-Y293 HydrophobicContact CG-CE1 3.94Å; Q255-Y293 PolarHBondContact OE1-OH 3.31Å; K258-Y293 HydrophobicContact CD-CD1 4.09Å; Y262-Y293 PolarHBondContact OH-O 3.16Å; F285-Y293 WeakPolarHBondContact CE1-O 3.26Å; T290-Y293 PolarHBondContact O-N 2.87Å; E291-Y293 PolarHBondContact O-N 3.49Å; E291-Y293 VanDerWaalsContact O-N 3.08Å
294K93.3Very high89Confident56 Ų5667.9 Ų67.924%0.24335%0.345CS..  trans-64.3131.1-174.5-174.7177.4-77.7165.60111F285 T290 E291 Y298F285-K294 HydrophobicContact CB-CG 4.31Å; F285-K294 HydrophobicContact CD1-CB 3.92Å; F285-K294 HydrophobicContact CD1-CG 4.29Å; F285-K294 HydrophobicContact CG-CG 4.48Å; F285-K294 WeakPolarHBondContact O-CE 3.31Å; F285-K294 PolarHBondContact O-NZ 2.88Å; T290-K294 PolarHBondContact O-N 2.95Å; E291-K294 VanDerWaalsContact CD-NZ 3.33Å; E291-K294 VanDerWaalsContact O-CB 3.25Å; E291-K294 WeakPolarHBondContact O-CB 3.37Å; E291-K294 PolarHBondContact O-N 2.74Å; E291-K294 IonicContact OE1-NZ 3.48Å; E291-K294 PolarHBondContact OE1-NZ 3.26Å; E291-K294 IonicContact OE2-NZ 3.7Å; E291-K294 PolarHBondContact OE2-NZ 3.37Å; K294-Y298 HydrophobicContact CD-CD1 3.72Å; K294-Y298 HydrophobicContact CD-CE1 4.47Å; K294-Y298 HydrophobicContact CD-CG 4.25Å; K294-Y298 HydrophobicContact CG-CD1 3.97Å; K294-Y298 HydrophobicContact CG-CG 3.99Å
295P91.5Very high88.4Confident14 Ų1472.7 Ų72.79%0.09138%0.38CS..  trans-70144.8174.521.9-22.9000110.5Y262 M281 A297 Y298Y262-P295 HydrophobicContact CD1-CB 3.99Å; Y262-P295 HydrophobicContact CD1-CG 3.82Å; Y262-P295 HydrophobicContact CD2-CB 4.24Å; Y262-P295 HydrophobicContact CE1-CB 3.64Å; Y262-P295 HydrophobicContact CE1-CG 3.57Å; Y262-P295 HydrophobicContact CE2-CB 3.87Å; Y262-P295 HydrophobicContact CG-CB 4.3Å; M281-P295 HydrophobicContact CE-CG 4.04Å; P295-A297 PolarHBondContact O-N 3.4Å; P295-Y298 WeakPolarHBondContact O-CB 3.41Å; P295-Y298 PolarHBondContact O-N 3.47Å
296E88.1Confident88.2Confident211 Ų21173.4 Ų73.499%0.98638%0.383SS*.THydrogen-bonded Turntrans-57.9-35.4177.7-65.6-179.7174.800112.5Y298E296-Y298 PolarHBondContact O-N 2.91Å
297A86Confident88.4Confident72 Ų7272 Ų7260%0.59538%0.378SS*.THydrogen-bonded Turntrans-80.910177.700000114P295 N299P295-A297 PolarHBondContact O-N 3.4Å; A297-N299 PolarHBondContact O-N 3.24Å
298Y88.2Confident88.4Confident33 Ų3371.9 Ų71.913%0.12938%0.376CS..  trans-62123.1-179.8-179.8-113.1000111M281 K282 F285 D286 K294 P295 E296 P300M281-Y298 HydrophobicContact CB-CE2 4.1Å; M281-Y298 HydrophobicContact CE-CD2 4.45Å; K282-Y298 VanDerWaalsContact CA-OH 3.31Å; K282-Y298 WeakPolarHBondContact CA-OH 3.26Å; F285-Y298 HydrophobicContact CB-CD1 4.43Å; F285-Y298 HydrophobicContact CB-CD2 4.26Å; F285-Y298 HydrophobicContact CB-CE1 4.12Å; F285-Y298 HydrophobicContact CB-CE2 3.97Å; F285-Y298 HydrophobicContact CB-CG 4.49Å; F285-Y298 HydrophobicContact CD2-CD2 4.43Å; F285-Y298 HydrophobicContact CD2-CE2 4.4Å; D286-Y298 WeakPolarHBondContact OD1-CE1 3.4Å; D286-Y298 PolarHBondContact OD1-OH 2.87Å; K294-Y298 HydrophobicContact CD-CD1 3.72Å; K294-Y298 HydrophobicContact CD-CE1 4.47Å; K294-Y298 HydrophobicContact CD-CG 4.25Å; K294-Y298 HydrophobicContact CG-CD1 3.97Å; K294-Y298 HydrophobicContact CG-CG 3.99Å; P295-Y298 WeakPolarHBondContact O-CB 3.41Å; P295-Y298 PolarHBondContact O-N 3.47Å; E296-Y298 PolarHBondContact O-N 2.91Å; Y298-P300 HydrophobicContact CE1-CB 4.26Å
299N84.5Confident88.5Confident73 Ų7375.4 Ų75.439%0.3938%0.384SS..  trans-130.5119.2170.6-178.9-15.2000108.3A297 Q301 K302 W304A297-N299 PolarHBondContact O-N 3.24Å; N299-Q301 PolarHBondContact O-N 2.88Å; N299-Q301 WeakPolarHBondContact OD1-CB 3.05Å; N299-Q301 PolarHBondContact OD1-N 3.46Å; N299-K302 HydrophobicContact CB-CB 4.01Å; N299-K302 WeakPolarHBondContact O-CB 3.43Å; N299-K302 PolarHBondContact O-N 3.23Å; N299-K302 VanDerWaalsContact O-N 3.14Å; N299-W304 PolarHBondContact O-NE1 3.38Å
300P80.6Confident88.5Confident71 Ų7175.4 Ų75.446%0.46139%0.386SS..THydrogen-bonded Turntrans-67.5-16.6-179.227.4-34.9000113.5Y298Y298-P300 HydrophobicContact CE1-CB 4.26Å
301Q79.9Confident88.5Confident180 Ų18076.7 Ų76.784%0.84140%0.395SS*.THydrogen-bonded Turntrans-89.9-11.6175.8-61.4-173.3-18.700113.2N299N299-Q301 PolarHBondContact O-N 2.88Å; N299-Q301 WeakPolarHBondContact OD1-CB 3.05Å; N299-Q301 PolarHBondContact OD1-N 3.46Å
302K80.5Confident88.6Confident117 Ų11772.3 Ų72.351%0.50938%0.378SS..SBendtrans-79.1136.1178.3-176.5178.1178.9-175.30109.6N299 W304N299-K302 HydrophobicContact CB-CB 4.01Å; N299-K302 WeakPolarHBondContact O-CB 3.43Å; N299-K302 PolarHBondContact O-N 3.23Å; N299-K302 VanDerWaalsContact O-N 3.14Å; K302-W304 HydrophobicContact CD-CZ2 4.15Å; K302-W304 PolarHBondContact O-N 3.25Å
303N76.5Confident88.8Confident154 Ų15471.1 Ų71.182%0.82437%0.372SS*.  trans-79.1109171.4-167.19.4000109.6
304W78.7Confident88.9Confident48 Ų4870.8 Ų70.818%0.18237%0.371CS..  trans-93.7115.3177.4-66.884000109.2M281 N299 K302 L306M281-W304 HydrophobicContact CB-CB 4.28Å; M281-W304 HydrophobicContact CB-CG 4.1Å; M281-W304 HydrophobicContact CE-CD2 4.12Å; M281-W304 HydrophobicContact CE-CE3 4.03Å; M281-W304 HydrophobicContact CE-CH2 4.48Å; M281-W304 HydrophobicContact CE-CZ3 4.21Å; M281-W304 HydrophobicContact CG-CB 3.55Å; M281-W304 HydrophobicContact CG-CD2 3.98Å; M281-W304 HydrophobicContact CG-CE3 4.41Å; M281-W304 HydrophobicContact CG-CG 3.59Å; N299-W304 PolarHBondContact O-NE1 3.38Å; K302-W304 HydrophobicContact CD-CZ2 4.15Å; K302-W304 PolarHBondContact O-N 3.25Å; W304-L306 HydrophobicContact CB-CD1 3.99Å; W304-L306 HydrophobicContact CE3-CD1 3.89Å; W304-L306 PolarHBondContact O-N 3.22Å
305S79.6Confident89.2Confident105 Ų10573.5 Ų73.573%0.73438%0.384SS*.  trans-94.478.3175.5-170.20000109.6
306L89.1Confident89.5Confident14 Ų1477.3 Ų77.37%0.07340%0.404CS..EExtended strand (participates in β ladder)trans-108.5141173.7-83.476.3000109.9A263 P264 V266 L279 M281 W304A263-L306 VanDerWaalsContact O-CD2 3.3Å; A263-L306 WeakPolarHBondContact O-CD2 3.31Å; A263-L306 WeakPolarHBondContact O-CG 3.43Å; P264-L306 CarbonylContact O-C 3.53Å; P264-L306 WeakPolarHBondContact O-CA 3.32Å; V266-L306 HydrophobicContact CG2-CD2 4.26Å; L279-L306 HydrophobicContact CB-CB 3.83Å; L279-L306 HydrophobicContact CD1-CB 4.44Å; L279-L306 HydrophobicContact CD1-CD2 4.46Å; L279-L306 HydrophobicContact CD2-CB 4.23Å; L279-L306 HydrophobicContact CD2-CD2 4.4Å; L279-L306 HydrophobicContact CG-CB 4.39Å; L279-L306 PolarHBondContact N-O 3.4Å; M281-L306 HydrophobicContact SD-CD2 4.16Å; W304-L306 HydrophobicContact CB-CD1 3.99Å; W304-L306 HydrophobicContact CE3-CD1 3.89Å; W304-L306 PolarHBondContact O-N 3.22Å
307T94.3Very high90Very high48 Ų4867.3 Ų67.329%0.29436%0.357SS..EExtended strand (participates in β ladder)trans-114.5131.5179.1-57.20000110P264 E265 V266 T276P264-T307 PolarHBondContact O-N 2.92Å; E265-T307 WeakPolarHBondContact CA-O 3.24Å; V266-T307 PolarHBondContact N-O 2.47Å; T276-T307 HydrophobicContact CG2-CG2 3.53Å
308L94.9Very high90.6Very high6 Ų664.8 Ų64.83%0.03133%0.334CS..EExtended strand (participates in β ladder)trans-91.7131.9171.7-79.3160000110.3L253 V266 H268 Y271 F275 T276 G277 L279L253-L308 HydrophobicContact CD1-CD1 4.09Å; L253-L308 HydrophobicContact CD1-CD2 3.65Å; L253-L308 HydrophobicContact CD1-CG 4.49Å; L253-L308 HydrophobicContact CD2-CD1 4.37Å; V266-L308 HydrophobicContact CB-CD2 4.08Å; V266-L308 HydrophobicContact CG1-CD2 4.09Å; V266-L308 WeakPolarHBondContact O-CA 3.36Å; H268-L308 HydrophobicContact CB-CD2 4.25Å; Y271-L308 HydrophobicContact CE2-CD1 4.15Å; F275-L308 HydrophobicContact CE1-CB 4.45Å; T276-L308 VanDerWaalsContact CA-O 3.27Å; T276-L308 WeakPolarHBondContact CA-O 3.28Å; G277-L308 PolarHBondContact N-O 3.08Å; G277-L308 VanDerWaalsContact N-O 3.07Å; G277-L308 PolarHBondContact O-N 2.79Å; L279-L308 HydrophobicContact CB-CD1 3.91Å; L279-L308 HydrophobicContact CB-CG 3.97Å; L279-L308 HydrophobicContact CD1-CD1 4Å; L279-L308 HydrophobicContact CD1-CD2 3.91Å; L279-L308 HydrophobicContact CD1-CG 3.81Å; L279-L308 HydrophobicContact CG-CD1 4Å; L279-L308 HydrophobicContact CG-CG 4.22Å
309R96.8Very high91Very high116 Ų11664.8 Ų64.844%0.43834%0.343SS..EExtended strand (participates in β ladder)trans-115.9129.2167.1-74.8-167-175.4-93.7-1.4110.8E265 V266 S267 H268 F275E265-R309 HydrophobicContact CG-CG 4.14Å; E265-R309 WeakPolarHBondContact OE1-CD 3.35Å; E265-R309 IonicContact OE1-NE 2.74Å; E265-R309 PolarHBondContact OE1-NE 2.9Å; E265-R309 IonicContact OE2-CZ 3.66Å; E265-R309 IonicContact OE2-NE 2.96Å; E265-R309 PolarHBondContact OE2-NE 2.68Å; E265-R309 IonicContact OE2-NH2 3.93Å; E265-R309 PolarHBondContact OE2-NH2 2.9Å; V266-R309 PolarHBondContact O-N 2.88Å; S267-R309 CarbonylContact C-O 3.58Å; S267-R309 WeakPolarHBondContact CA-O 3.32Å; H268-R309 PolarHBondContact N-O 3.15Å; F275-R309 WeakPolarHBondContact O-CA 3.34Å
310G97.1Very high91.7Very high10 Ų1062.7 Ų62.710%0.10333%0.332CS..EExtended strand (participates in β ladder)trans-84.2137.2172.500000111.8Y271 P272 A273 N274 F275Y271-G310 CarbonylContact O-C 3.49Å; Y271-G310 WeakPolarHBondContact O-CA 3.5Å; P272-G310 CarbonylContact O-C 3.55Å; P272-G310 WeakPolarHBondContact O-CA 3.49Å; A273-G310 WeakPolarHBondContact CA-O 3.37Å; N274-G310 PolarHBondContact N-O 2.7Å; F275-G310 PolarHBondContact O-N 3.06Å
311S96.6Very high92.5Very high26 Ų2659.3 Ų59.318%0.18231%0.311CS..  trans-112.6-15178.779.40000114.3H268 P269 Y271 H313H268-S311 PolarHBondContact O-N 3.38Å; P269-S311 WeakPolarHBondContact CA-OG 3.34Å; Y271-S311 PolarHBondContact O-N 2.88Å; S311-H313 PolarHBondContact OG-CD2 3.47Å
312G96.4Very high93.3Very high14 Ų1451.9 Ų51.914%0.14428%0.278CS..  trans61.444.6177.600000114.5P269 Y271 C384P269-G312 PolarHBondContact O-N 3.2Å; Y271-G312 WeakPolarHBondContact O-CA 3.45Å; Y271-G312 PolarHBondContact O-N 3.46Å; G312-C384 CarbonylContact C-O 3.6Å; G312-C384 WeakPolarHBondContact CA-O 3.43Å
313H96.9Very high94Very high101 Ų10152.7 Ų52.747%0.46828%0.284SS..  trans-109.899.2-178.2-70-44.1000111.3P269 S311 E315 N316 C317P269-H313 HydrophobicContact CB-CB 4.23Å; P269-H313 PolarHBondContact O-N 3.09Å; S311-H313 PolarHBondContact OG-CD2 3.47Å; H313-E315 PolarHBondContact O-N 3.04Å; H313-N316 HydrophobicContact CB-CB 4.14Å; H313-N316 PolarHBondContact O-N 2.85Å; H313-C317 WeakPolarHBondContact O-CB 3.37Å; H313-C317 PolarHBondContact O-N 3.02Å
314Y98Very high94.9Very high17 Ų1745.7 Ų45.77%0.06725%0.246CC..Hα-helixtrans-54-50.4-178.1170.7-97.5000113.2N316 C317 L318 T380 K381 C384 V411 Q414Y314-N316 PolarHBondContact O-N 3.01Å; Y314-C317 CarbonylContact O-C 3.51Å; Y314-C317 WeakPolarHBondContact O-CA 3.36Å; Y314-C317 WeakPolarHBondContact O-CB 3.13Å; Y314-C317 PolarHBondContact O-N 2.82Å; Y314-C317 VanDerWaalsContact O-N 3.1Å; Y314-L318 HydrophobicContact CE1-CD2 4.09Å; Y314-L318 WeakPolarHBondContact O-CB 3.49Å; Y314-L318 PolarHBondContact O-N 3.44Å; Y314-T380 HydrophobicContact CD2-CG2 4.02Å; Y314-T380 HydrophobicContact CE2-CG2 3.61Å; Y314-K381 HydrophobicContact CD1-CD 4.11Å; Y314-K381 VanDerWaalsContact CD1-CE 3.49Å; Y314-K381 HydrophobicContact CD1-CG 3.5Å; Y314-K381 HydrophobicContact CD2-CG 3.87Å; Y314-K381 HydrophobicContact CE1-CD 4.03Å; Y314-K381 HydrophobicContact CE1-CG 3.62Å; Y314-K381 HydrophobicContact CE2-CG 3.95Å; Y314-K381 HydrophobicContact CG-CB 4.48Å; Y314-K381 HydrophobicContact CG-CG 3.63Å; Y314-C384 HydrophobicContact CD2-CB 4.35Å; Y314-V411 HydrophobicContact CD2-CG2 4.07Å; Y314-V411 HydrophobicContact CE2-CG2 4.01Å; Y314-Q414 PolarHBondContact OH-NE2 2.85Å; Y314-Q414 PolarHBondContact OH-OE1 3.47Å
315E98.1Very high95.7Very high113 Ų11343.8 Ų43.853%0.52824%0.239SC..Hα-helixtrans-64.1-42.6-174.6-58.6-58.8163.100111.8H313 C317 L318 G319 K381H313-E315 PolarHBondContact O-N 3.04Å; E315-C317 VanDerWaalsContact C-N 3.31Å; E315-C317 PolarHBondContact O-N 3.11Å; E315-L318 PolarHBondContact O-N 2.91Å; E315-G319 PolarHBondContact O-N 3.5Å; E315-K381 IonicContact OE1-NZ 3.7Å
316N98Very high96.5Very high95 Ų9540.8 Ų40.851%0.50822%0.219SC..Hα-helixtrans-66.5-36.2174.8-67.72.4000111.4P269 H313 Y314 N320P269-N316 HydrophobicContact CB-CB 3.61Å; P269-N316 HydrophobicContact CG-CB 4.1Å; H313-N316 HydrophobicContact CB-CB 4.14Å; H313-N316 PolarHBondContact O-N 2.85Å; Y314-N316 PolarHBondContact O-N 3.01Å; N316-N320 PolarHBondContact O-N 3.33Å; N316-N320 PolarHBondContact O-ND2 3.43Å
317C98.6Very high96.8Very high0 Ų044.9 Ų44.90%024%0.237CC..Hα-helixtrans-63.6-48.7175.2179.70000111.3P269 C270 H313 Y314 E315 G319 N320 V321 V411P269-C317 HydrophobicContact CB-CB 4.38Å; C270-C317 VanDerWaalsContact CA-SG 3.53Å; C270-C317 HydrophobicContact CB-CB 3.88Å; C270-C317 WeakPolarHBondContact CB-SG 3.33Å; C270-C317 WeakPolarHBondContact SG-CA 3.42Å; C270-C317 WeakPolarHBondContact SG-CB 3.46Å; C270-C317 CovalentContact SG-SG 2.01Å; C270-C317 PolarHBondContact SG-SG 3.16Å; H313-C317 WeakPolarHBondContact O-CB 3.37Å; H313-C317 PolarHBondContact O-N 3.02Å; Y314-C317 CarbonylContact O-C 3.51Å; Y314-C317 WeakPolarHBondContact O-CA 3.36Å; Y314-C317 WeakPolarHBondContact O-CB 3.13Å; Y314-C317 PolarHBondContact O-N 2.82Å; Y314-C317 VanDerWaalsContact O-N 3.1Å; E315-C317 VanDerWaalsContact C-N 3.31Å; E315-C317 PolarHBondContact O-N 3.11Å; C317-G319 VanDerWaalsContact C-N 3.32Å; C317-G319 PolarHBondContact O-N 3.33Å; C317-N320 PolarHBondContact O-N 2.93Å; C317-V321 WeakPolarHBondContact O-CB 3.48Å; C317-V321 WeakPolarHBondContact O-CG2 3.34Å; C317-V321 PolarHBondContact O-N 3.34Å; C317-V411 HydrophobicContact CB-CG2 4.5Å
318L98.3Very high96.7Very high20 Ų2048.7 Ų48.711%0.10526%0.256CS..Hα-helixtrans-60.8-41.5177.2-179.865.3000111.5Y314 E315 V321 S322 V411Y314-L318 HydrophobicContact CE1-CD2 4.09Å; Y314-L318 WeakPolarHBondContact O-CB 3.49Å; Y314-L318 PolarHBondContact O-N 3.44Å; E315-L318 PolarHBondContact O-N 2.91Å; L318-V321 PolarHBondContact O-N 2.92Å; L318-S322 VanDerWaalsContact O-CB 3.26Å; L318-S322 WeakPolarHBondContact O-CB 3.49Å; L318-S322 PolarHBondContact O-N 3.19Å; L318-S322 PolarHBondContact O-OG 2.81Å; L318-V411 HydrophobicContact CB-CG1 4.18Å; L318-V411 HydrophobicContact CD1-CG1 3.91Å
319G97.8Very high96.7Very high32 Ų3250.9 Ų50.933%0.3328%0.28SS..Hα-helixtrans-56.7-56.5174.300000112.2E315 C317 V321 S322 E323E315-G319 PolarHBondContact O-N 3.5Å; C317-G319 VanDerWaalsContact C-N 3.32Å; C317-G319 PolarHBondContact O-N 3.33Å; G319-V321 VanDerWaalsContact C-N 3.32Å; G319-V321 PolarHBondContact O-N 3.03Å; G319-S322 PolarHBondContact O-N 3.3Å; G319-S322 VanDerWaalsContact O-N 3.13Å; G319-E323 PolarHBondContact O-N 3.33Å; G319-E323 VanDerWaalsContact O-N 3.17Å
320N98.1Very high96.7Very high30 Ų3047.9 Ų47.916%0.1628%0.276CS..Hα-helixtrans-59.8-40.9179.1-77.4-76.9000112.6L252 Q255 I256 N316 C317L252-N320 HydrophobicContact CD1-CB 3.72Å; Q255-N320 PolarHBondContact NE2-O 3.31Å; Q255-N320 VanDerWaalsContact NE2-O 3.14Å; I256-N320 HydrophobicContact CG1-CB 4.48Å; N316-N320 PolarHBondContact O-N 3.33Å; N316-N320 PolarHBondContact O-ND2 3.43Å; C317-N320 PolarHBondContact O-N 2.93Å
321V98.1Very high96.7Very high0 Ų052 Ų520%030%0.301CS..Hα-helixtrans-66.7-39.5177.2165.50000111.4L252 C317 L318 G319 E323 L324 F325 V411 L412 A415L252-V321 HydrophobicContact CD1-CG2 3.87Å; L252-V321 HydrophobicContact CD2-CG2 3.86Å; L252-V321 HydrophobicContact CG-CG2 4.48Å; C317-V321 WeakPolarHBondContact O-CB 3.48Å; C317-V321 WeakPolarHBondContact O-CG2 3.34Å; C317-V321 PolarHBondContact O-N 3.34Å; L318-V321 PolarHBondContact O-N 2.92Å; G319-V321 VanDerWaalsContact C-N 3.32Å; G319-V321 PolarHBondContact O-N 3.03Å; V321-E323 VanDerWaalsContact C-N 3.28Å; V321-E323 PolarHBondContact O-N 3.02Å; V321-L324 VanDerWaalsContact O-CB 3.27Å; V321-L324 WeakPolarHBondContact O-CB 3.21Å; V321-L324 PolarHBondContact O-N 3.39Å; V321-L324 VanDerWaalsContact O-N 3.09Å; V321-F325 HydrophobicContact CG1-CE2 4.09Å; V321-F325 VanDerWaalsContact O-CD2 3.31Å; V321-F325 WeakPolarHBondContact O-CD2 3.03Å; V321-V411 HydrophobicContact CB-CG1 3.75Å; V321-V411 HydrophobicContact CG1-CG1 3.95Å; V321-V411 HydrophobicContact CG2-CB 4.44Å; V321-V411 HydrophobicContact CG2-CG1 3.75Å; V321-L412 HydrophobicContact CB-CD2 4.48Å; V321-L412 HydrophobicContact CG1-CD2 3.65Å; V321-L412 HydrophobicContact CG1-CG 4.31Å; V321-L412 HydrophobicContact CG2-CD2 4.06Å; V321-L412 HydrophobicContact CG2-CG 4.31Å; V321-A415 HydrophobicContact CG1-CB 3.67Å
322S96.4Very high96.7Very high24 Ų2453.4 Ų53.417%0.16830%0.304CS..Hα-helixtrans-65.3-34.2-178.7-60.50000112L318 G319 L324 F325 R419L318-S322 VanDerWaalsContact O-CB 3.26Å; L318-S322 WeakPolarHBondContact O-CB 3.49Å; L318-S322 PolarHBondContact O-N 3.19Å; L318-S322 PolarHBondContact O-OG 2.81Å; G319-S322 PolarHBondContact O-N 3.3Å; G319-S322 VanDerWaalsContact O-N 3.13Å; S322-L324 PolarHBondContact O-N 2.88Å; S322-F325 PolarHBondContact O-N 3.41Å; S322-F325 VanDerWaalsContact O-N 3.12Å; S322-R419 PolarHBondContact OG-NH1 3.04Å
323E95.4Very high96.7Very high134 Ų13456.5 Ų56.563%0.62632%0.323SS*.THydrogen-bonded Turntrans-63.5-17.7174.5-71.9174.3-167.800113.5Q255 G319 V321 F325Q255-E323 PolarHBondContact NE2-OE2 3.12Å; G319-E323 PolarHBondContact O-N 3.33Å; G319-E323 VanDerWaalsContact O-N 3.17Å; V321-E323 VanDerWaalsContact C-N 3.28Å; V321-E323 PolarHBondContact O-N 3.02Å; E323-F325 PolarHBondContact O-N 2.93Å
324L96.1Very high96.6Very high6 Ų656.4 Ų56.43%0.03132%0.319CS..THydrogen-bonded Turntrans-72.9-13.7174.9-62.3173.4000113.2Y243 L248 K251 L252 V321 S322 L412Y243-L324 PolarHBondContact OH-O 3.29Å; L248-L324 HydrophobicContact CD2-CD1 4.1Å; K251-L324 HydrophobicContact CB-CD2 3.89Å; L252-L324 HydrophobicContact CB-CD1 4.06Å; L252-L324 HydrophobicContact CD1-CD1 4.46Å; V321-L324 VanDerWaalsContact O-CB 3.27Å; V321-L324 WeakPolarHBondContact O-CB 3.21Å; V321-L324 PolarHBondContact O-N 3.39Å; V321-L324 VanDerWaalsContact O-N 3.09Å; S322-L324 PolarHBondContact O-N 2.88Å; L324-L412 HydrophobicContact CD1-CD2 4.3Å
325F96.2Very high96.6Very high8 Ų857.3 Ų57.34%0.03533%0.327CS..SBendtrans-114.9107.9-178.3-58.3-91.3000109.1Y243 V321 S322 E323 F337 A415 L416Y243-F325 HydrophobicContact CD1-CD1 4.17Å; Y243-F325 AromaticContact CD1-CE1 3.67Å; Y243-F325 HydrophobicContact CD1-CE1 3.67Å; Y243-F325 HydrophobicContact CD1-CZ 4.3Å; Y243-F325 AromaticContact CE1-CD1 3.79Å; Y243-F325 HydrophobicContact CE1-CD1 3.79Å; Y243-F325 AromaticContact CE1-CE1 3.75Å; Y243-F325 HydrophobicContact CE1-CE1 3.75Å; Y243-F325 HydrophobicContact CE1-CZ 4.44Å; V321-F325 HydrophobicContact CG1-CE2 4.09Å; V321-F325 VanDerWaalsContact O-CD2 3.31Å; V321-F325 WeakPolarHBondContact O-CD2 3.03Å; S322-F325 PolarHBondContact O-N 3.41Å; S322-F325 VanDerWaalsContact O-N 3.12Å; E323-F325 PolarHBondContact O-N 2.93Å; F325-F337 HydrophobicContact CB-CB 4.25Å; F325-F337 HydrophobicContact CB-CG 4.42Å; F325-F337 AromaticContact CD1-CD1 3.98Å; F325-F337 HydrophobicContact CD1-CD1 3.98Å; F325-F337 AromaticContact CD1-CD2 3.81Å; F325-F337 HydrophobicContact CD1-CD2 3.81Å; F325-F337 HydrophobicContact CD1-CE1 4.04Å; F325-F337 AromaticContact CD1-CE2 3.89Å; F325-F337 HydrophobicContact CD1-CE2 3.89Å; F325-F337 AromaticContact CD1-CG 3.86Å; F325-F337 HydrophobicContact CD1-CG 3.86Å; F325-F337 AromaticContact CD1-CZ 3.99Å; F325-F337 HydrophobicContact CD1-CZ 3.99Å; F325-F337 HydrophobicContact CE1-CE1 4.26Å; F325-F337 HydrophobicContact CE1-CE2 4.27Å; F325-F337 HydrophobicContact CE1-CZ 4.06Å; F325-A415 HydrophobicContact CD2-CB 4.36Å; F325-A415 HydrophobicContact CE2-CB 3.86Å; F325-A415 HydrophobicContact CZ-CB 4.48Å; F325-L416 HydrophobicContact CE1-CD1 3.91Å; F325-L416 HydrophobicContact CZ-CB 4.33Å; F325-L416 HydrophobicContact CZ-CD1 4.47Å
326S95.3Very high96.6Very high43 Ų4352.3 Ų52.330%0.30131%0.305SS..  trans-83.2125.6178.1-175.10000110.6D328 F337 D338S326-D328 PolarHBondContact OG-N 3.25Å; S326-F337 CarbonylContact O-C 3.53Å; S326-F337 WeakPolarHBondContact O-CA 3.23Å; S326-D338 WeakPolarHBondContact CB-OD1 3.27Å; S326-D338 PolarHBondContact N-OD1 3.05Å; S326-D338 VanDerWaalsContact N-OD1 3.16Å; S326-D338 PolarHBondContact O-N 3.29Å
327H94.9Very high96.6Very high100 Ų10047.8 Ų47.846%0.46328%0.281SS..  trans-104.813169.7-61-76.7000111.7G329 S336 R419H327-G329 PolarHBondContact O-N 3.07Å; H327-S336 PolarHBondContact CE1-O 2.91Å; H327-S336 VanDerWaalsContact CE1-O 3.31Å; H327-S336 PolarHBondContact ND1-O 3.39Å; H327-R419 PolarHBondContact CE1-O 3.43Å; H327-R419 VanDerWaalsContact CE1-O 3.28Å
328D93.8Very high96.5Very high127 Ų12750.8 Ų50.868%0.67930%0.297SS*.SBendtrans-81.2109.5-175.7-66.4-31.6000111.5S326 K339S326-D328 PolarHBondContact OG-N 3.25Å; D328-K339 WeakPolarHBondContact O-CE 3.24Å
329G94.5Very high96.4Very high52 Ų5255.7 Ų55.754%0.53632%0.317SS..  trans76.8147.8-178.200000112.8H327H327-G329 PolarHBondContact O-N 3.07Å
330C96.4Very high96.4Very high54 Ų5455.1 Ų55.137%0.36531%0.307SS..  trans-146.7117.9171.5-179.30000108.2F332 C335C330-F332 PolarHBondContact O-N 3.48Å; C330-F332 PolarHBondContact SG-O 3.35Å; C330-C335 VanDerWaalsContact CA-SG 3.52Å; C330-C335 HydrophobicContact CB-CB 3.86Å; C330-C335 WeakPolarHBondContact CB-SG 3.28Å; C330-C335 WeakPolarHBondContact SG-CB 3.26Å; C330-C335 PolarHBondContact SG-N 3.28Å; C330-C335 CovalentContact SG-SG 2.04Å; C330-C335 PolarHBondContact SG-SG 3.5Å
331P96.6Very high96.4Very high95 Ų9553.7 Ų53.762%0.61730%0.3SS*.SBendtrans-78.9-1.3179.531.8-33.2000112.9K339P331-K339 HydrophobicContact CG-CB 4.42Å
332F96.9Very high96.4Very high56 Ų5654.3 Ų54.325%0.24630%0.302CS..SBendtrans-116.2176.2-178.1-55.4-72.4000110.7E218 N219 C330 R334 K339 F341E218-F332 HydrophobicContact CB-CD1 3.86Å; E218-F332 HydrophobicContact CB-CE1 4.5Å; E218-F332 WeakPolarHBondContact OE2-CA 3.17Å; E218-F332 WeakPolarHBondContact OE2-CB 3.22Å; N219-F332 HydrophobicContact CB-CE1 3.9Å; N219-F332 HydrophobicContact CB-CZ 3.88Å; C330-F332 PolarHBondContact O-N 3.48Å; C330-F332 PolarHBondContact SG-O 3.35Å; F332-R334 PolarHBondContact O-N 3.35Å; F332-K339 WeakPolarHBondContact CE2-O 3.49Å; F332-F341 HydrophobicContact CB-CB 4.21Å; F332-F341 HydrophobicContact CB-CD2 3.75Å; F332-F341 HydrophobicContact CB-CG 4.43Å; F332-F341 HydrophobicContact CD1-CB 4.13Å; F332-F341 HydrophobicContact CD1-CD2 4.45Å; F332-F341 HydrophobicContact CD2-CB 3.48Å; F332-F341 VanDerWaalsContact CD2-CB 3.48Å; F332-F341 HydrophobicContact CE1-CB 4.38Å; F332-F341 HydrophobicContact CE2-CB 3.76Å; F332-F341 HydrophobicContact CG-CB 3.68Å; F332-F341 HydrophobicContact CG-CD2 4.05Å; F332-F341 HydrophobicContact CG-CG 4.26Å; F332-F341 HydrophobicContact CZ-CB 4.21Å
333S96.1Very high96.5Very high80 Ų8053.2 Ų53.256%0.55930%0.295SS*.SBendtrans-60.9-26.5175.972.80000113.3E218E218-S333 WeakPolarHBondContact OE1-CB 3.41Å; E218-S333 PolarHBondContact OE1-OG 3.28Å; E218-S333 PolarHBondContact OE2-N 2.79Å
334R95.3Very high96.5Very high98 Ų9852.5 Ų52.537%0.3729%0.289SS..  trans-161.4151.3177.658.1-178.475.5162.512.3110.3E215 F332 F341 Q342 K344E215-R334 IonicContact OE1-CZ 3.83Å; E215-R334 IonicContact OE1-NH1 3.69Å; E215-R334 PolarHBondContact OE1-NH1 3.01Å; E215-R334 IonicContact OE1-NH2 2.68Å; E215-R334 IonicContact OE2-CZ 2.73Å; E215-R334 IonicContact OE2-NH1 2.65Å; E215-R334 PolarHBondContact OE2-NH1 3.04Å; E215-R334 IonicContact OE2-NH2 3.09Å; F332-R334 PolarHBondContact O-N 3.35Å; R334-F341 HydrophobicContact CG-CE2 4.41Å; R334-Q342 WeakPolarHBondContact CD-O 3.36Å; R334-Q342 WeakPolarHBondContact CG-O 3.32Å; R334-Q342 PolarHBondContact O-N 3.41Å; R334-K344 VanDerWaalsContact NH1-CB 3.26Å; R334-K344 VanDerWaalsContact NH1-N 3.13Å
335C97.6Very high96.5Very high37 Ų3752.7 Ų52.725%0.2529%0.291CS..BIsolated β-bridgetrans-132.6156.5177.1-65.80000109.3C330 V340C330-C335 VanDerWaalsContact CA-SG 3.52Å; C330-C335 HydrophobicContact CB-CB 3.86Å; C330-C335 WeakPolarHBondContact CB-SG 3.28Å; C330-C335 WeakPolarHBondContact SG-CB 3.26Å; C330-C335 PolarHBondContact SG-N 3.28Å; C330-C335 CovalentContact SG-SG 2.04Å; C330-C335 PolarHBondContact SG-SG 3.5Å; C335-V340 CarbonylContact C-O 3.51Å; C335-V340 WeakPolarHBondContact CA-O 3.41Å; C335-V340 WeakPolarHBondContact CB-O 3.26Å
336S97.6Very high96.4Very high7 Ų755.6 Ų55.65%0.04931%0.309CS..SBendtrans-75.3-83.1162.143.50000109.3F240 H327 V340 G420F240-S336 WeakPolarHBondContact CZ-OG 3.36Å; H327-S336 PolarHBondContact CE1-O 2.91Å; H327-S336 VanDerWaalsContact CE1-O 3.31Å; H327-S336 PolarHBondContact ND1-O 3.39Å; S336-V340 PolarHBondContact N-O 3.41Å; S336-V340 PolarHBondContact OG-O 2.97Å; S336-G420 CarbonylContact C-O 3.57Å; S336-G420 VanDerWaalsContact CA-O 3.3Å; S336-G420 WeakPolarHBondContact CA-O 3.2Å; S336-G420 WeakPolarHBondContact CB-O 3.34Å
337F98.1Very high96.4Very high1 Ų155.9 Ų55.90%0.00432%0.32CS..SBendtrans-147.4169.3174.258.9-86.3000109.8F240 Y243 F325 S326 K339 V340 L416 Y421F240-F337 HydrophobicContact CB-CZ 4.19Å; F240-F337 HydrophobicContact CD1-CD2 4.23Å; F240-F337 HydrophobicContact CD1-CE1 4.12Å; F240-F337 AromaticContact CD1-CE2 3.34Å; F240-F337 HydrophobicContact CD1-CE2 3.34Å; F240-F337 AromaticContact CD1-CZ 3.28Å; F240-F337 HydrophobicContact CD1-CZ 3.28Å; F240-F337 HydrophobicContact CD2-CE1 4.33Å; F240-F337 AromaticContact CD2-CZ 3.87Å; F240-F337 HydrophobicContact CD2-CZ 3.87Å; F240-F337 HydrophobicContact CE1-CD1 4.3Å; F240-F337 HydrophobicContact CE1-CD2 4.11Å; F240-F337 AromaticContact CE1-CE1 3.83Å; F240-F337 HydrophobicContact CE1-CE1 3.83Å; F240-F337 AromaticContact CE1-CE2 3.59Å; F240-F337 HydrophobicContact CE1-CE2 3.59Å; F240-F337 HydrophobicContact CE1-CG 4.44Å; F240-F337 AromaticContact CE1-CZ 3.45Å; F240-F337 HydrophobicContact CE1-CZ 3.45Å; F240-F337 VanDerWaalsContact CE1-CZ 3.45Å; F240-F337 HydrophobicContact CE2-CE1 4.08Å; F240-F337 HydrophobicContact CE2-CZ 4.04Å; F240-F337 HydrophobicContact CG-CE1 4.36Å; F240-F337 AromaticContact CG-CE2 3.97Å; F240-F337 HydrophobicContact CG-CE2 3.97Å; F240-F337 AromaticContact CG-CZ 3.51Å; F240-F337 HydrophobicContact CG-CZ 3.51Å; F240-F337 HydrophobicContact CZ-CD1 4.4Å; F240-F337 AromaticContact CZ-CE1 3.84Å; F240-F337 HydrophobicContact CZ-CE1 3.84Å; F240-F337 HydrophobicContact CZ-CE2 4.41Å; F240-F337 AromaticContact CZ-CZ 3.85Å; F240-F337 HydrophobicContact CZ-CZ 3.85Å; Y243-F337 AromaticContact CD1-CE2 3.63Å; Y243-F337 HydrophobicContact CD1-CE2 3.63Å; Y243-F337 AromaticContact CD1-CZ 3.95Å; Y243-F337 HydrophobicContact CD1-CZ 3.95Å; Y243-F337 HydrophobicContact CD2-CE2 4.02Å; Y243-F337 HydrophobicContact CE1-CD2 4.05Å; Y243-F337 AromaticContact CE1-CE2 3.43Å; Y243-F337 HydrophobicContact CE1-CE2 3.43Å; Y243-F337 VanDerWaalsContact CE1-CE2 3.43Å; Y243-F337 HydrophobicContact CE1-CZ 4.18Å; Y243-F337 AromaticContact CE2-CE2 3.8Å; Y243-F337 HydrophobicContact CE2-CE2 3.8Å; Y243-F337 AromaticContact CG-CE2 3.95Å; Y243-F337 HydrophobicContact CG-CE2 3.95Å; Y243-F337 HydrophobicContact CG-CZ 4.21Å; Y243-F337 AromaticContact CZ-CD2 3.99Å; Y243-F337 AromaticContact CZ-CE2 3.51Å; F325-F337 HydrophobicContact CB-CB 4.25Å; F325-F337 HydrophobicContact CB-CG 4.42Å; F325-F337 AromaticContact CD1-CD1 3.98Å; F325-F337 HydrophobicContact CD1-CD1 3.98Å; F325-F337 AromaticContact CD1-CD2 3.81Å; F325-F337 HydrophobicContact CD1-CD2 3.81Å; F325-F337 HydrophobicContact CD1-CE1 4.04Å; F325-F337 AromaticContact CD1-CE2 3.89Å; F325-F337 HydrophobicContact CD1-CE2 3.89Å; F325-F337 AromaticContact CD1-CG 3.86Å; F325-F337 HydrophobicContact CD1-CG 3.86Å; F325-F337 AromaticContact CD1-CZ 3.99Å; F325-F337 HydrophobicContact CD1-CZ 3.99Å; F325-F337 HydrophobicContact CE1-CE1 4.26Å; F325-F337 HydrophobicContact CE1-CE2 4.27Å; F325-F337 HydrophobicContact CE1-CZ 4.06Å; S326-F337 CarbonylContact O-C 3.53Å; S326-F337 WeakPolarHBondContact O-CA 3.23Å; F337-K339 PolarHBondContact O-N 3.25Å; F337-K339 VanDerWaalsContact O-N 3.15Å; F337-V340 WeakPolarHBondContact O-CB 3.44Å; F337-V340 PolarHBondContact O-N 3.5Å; F337-L416 HydrophobicContact CE1-CD1 4.06Å; F337-L416 HydrophobicContact CZ-CD1 4.23Å; F337-Y421 HydrophobicContact CE1-CD1 4.44Å; F337-Y421 HydrophobicContact CE1-CE1 4.2Å
338D96.8Very high96.5Very high63 Ų6353.9 Ų53.934%0.33732%0.317SS..THydrogen-bonded Turntrans51.637.5-179.1-67.8-1000113.5Y243 S326 V340Y243-D338 WeakPolarHBondContact CE2-OD2 3.25Å; Y243-D338 VanDerWaalsContact CZ-OD2 3.22Å; Y243-D338 PolarHBondContact OH-OD2 3.47Å; S326-D338 WeakPolarHBondContact CB-OD1 3.27Å; S326-D338 PolarHBondContact N-OD1 3.05Å; S326-D338 VanDerWaalsContact N-OD1 3.16Å; S326-D338 PolarHBondContact O-N 3.29Å; D338-V340 PolarHBondContact O-N 2.95Å
339K97.3Very high96.7Very high123 Ų12347.9 Ų47.954%0.53529%0.285SS..THydrogen-bonded Turntrans6121.4179.2-56.1171.3-175.3174.50114D328 P331 F332 F337D328-K339 WeakPolarHBondContact O-CE 3.24Å; P331-K339 HydrophobicContact CG-CB 4.42Å; F332-K339 WeakPolarHBondContact CE2-O 3.49Å; F337-K339 PolarHBondContact O-N 3.25Å; F337-K339 VanDerWaalsContact O-N 3.15Å
340V97.9Very high96.9Very high20 Ų2045.5 Ų45.512%0.12126%0.259CS..  trans-85.7123.3177.9177.30000110.2F240 C335 S336 F337 D338 Q342F240-V340 HydrophobicContact CD1-CG2 4.48Å; F240-V340 HydrophobicContact CE1-CB 3.86Å; F240-V340 HydrophobicContact CE1-CG1 4.03Å; F240-V340 HydrophobicContact CE1-CG2 3.72Å; F240-V340 HydrophobicContact CZ-CB 4.16Å; F240-V340 HydrophobicContact CZ-CG1 3.94Å; F240-V340 HydrophobicContact CZ-CG2 4.46Å; C335-V340 CarbonylContact C-O 3.51Å; C335-V340 WeakPolarHBondContact CA-O 3.41Å; C335-V340 WeakPolarHBondContact CB-O 3.26Å; S336-V340 PolarHBondContact N-O 3.41Å; S336-V340 PolarHBondContact OG-O 2.97Å; F337-V340 WeakPolarHBondContact O-CB 3.44Å; F337-V340 PolarHBondContact O-N 3.5Å; D338-V340 PolarHBondContact O-N 2.95Å; V340-Q342 PolarHBondContact O-N 3.24Å
341F97.9Very high97Very high0 Ų042.9 Ų42.90%024%0.242CC..BIsolated β-bridgetrans-55131.3171.3172.9-107.6000110.6K216 V217 E218 N219 Y236 F332 R334 P343K216-F341 WeakPolarHBondContact O-CZ 3.36Å; V217-F341 HydrophobicContact CB-CE1 4.2Å; V217-F341 HydrophobicContact CG1-CD1 4.22Å; V217-F341 HydrophobicContact CG1-CE1 3.87Å; E218-F341 HydrophobicContact CB-CD2 3.84Å; E218-F341 HydrophobicContact CB-CE2 3.77Å; E218-F341 HydrophobicContact CB-CG 4.23Å; E218-F341 HydrophobicContact CB-CZ 4.14Å; E218-F341 HydrophobicContact CG-CD2 4.22Å; E218-F341 HydrophobicContact CG-CE2 3.71Å; E218-F341 HydrophobicContact CG-CZ 4.12Å; N219-F341 HydrophobicContact CB-CB 4.23Å; Y236-F341 HydrophobicContact CD2-CD1 4.32Å; Y236-F341 HydrophobicContact CD2-CE1 4.25Å; Y236-F341 HydrophobicContact CE2-CD1 4.07Å; Y236-F341 HydrophobicContact CE2-CE1 4.4Å; Y236-F341 VanDerWaalsContact CE2-O 3.28Å; Y236-F341 WeakPolarHBondContact CE2-O 3.45Å; Y236-F341 PolarHBondContact OH-O 2.85Å; F332-F341 HydrophobicContact CB-CB 4.21Å; F332-F341 HydrophobicContact CB-CD2 3.75Å; F332-F341 HydrophobicContact CB-CG 4.43Å; F332-F341 HydrophobicContact CD1-CB 4.13Å; F332-F341 HydrophobicContact CD1-CD2 4.45Å; F332-F341 HydrophobicContact CD2-CB 3.48Å; F332-F341 VanDerWaalsContact CD2-CB 3.48Å; F332-F341 HydrophobicContact CE1-CB 4.38Å; F332-F341 HydrophobicContact CE2-CB 3.76Å; F332-F341 HydrophobicContact CG-CB 3.68Å; F332-F341 HydrophobicContact CG-CD2 4.05Å; F332-F341 HydrophobicContact CG-CG 4.26Å; F332-F341 HydrophobicContact CZ-CB 4.21Å; R334-F341 HydrophobicContact CG-CE2 4.41Å; F341-P343 HydrophobicContact CE1-CG 4.33Å; F341-P343 HydrophobicContact CZ-CB 4.32Å
342Q98.2Very high97Very high12 Ų1238.4 Ų38.46%0.05621%0.213CC..  trans-143.8122.3170.2-169.8-173.2-84.600110.6Y236 R334 V340 Y421Y236-Q342 HydrophobicContact CE1-CG 3.85Å; Y236-Q342 WeakPolarHBondContact OH-CG 3.4Å; R334-Q342 WeakPolarHBondContact CD-O 3.36Å; R334-Q342 WeakPolarHBondContact CG-O 3.32Å; R334-Q342 PolarHBondContact O-N 3.41Å; V340-Q342 PolarHBondContact O-N 3.24Å; Q342-Y421 PolarHBondContact NE2-O 3.27Å
343P97Very high96.9Very high1 Ų137.3 Ų37.31%0.00621%0.212CC..PPolyproline II helixtrans-64.8166173.124.5-25.5000111.1F211 T213 E215 Y236 F341 V345F211-P343 HydrophobicContact CE2-CG 4.09Å; F211-P343 HydrophobicContact CZ-CB 4.45Å; F211-P343 HydrophobicContact CZ-CG 3.71Å; T213-P343 HydrophobicContact CG2-CB 4.27Å; T213-P343 HydrophobicContact CG2-CG 3.92Å; E215-P343 HydrophobicContact CB-CB 4.08Å; E215-P343 VanDerWaalsContact OE2-CA 3.24Å; E215-P343 WeakPolarHBondContact OE2-CA 3.46Å; E215-P343 WeakPolarHBondContact OE2-CB 3.49Å; Y236-P343 HydrophobicContact CD1-CG 4.08Å; Y236-P343 HydrophobicContact CD2-CG 3.85Å; Y236-P343 VanDerWaalsContact CE2-CD 3.46Å; Y236-P343 HydrophobicContact CE2-CG 4.44Å; Y236-P343 HydrophobicContact CG-CG 3.64Å; F341-P343 HydrophobicContact CE1-CG 4.33Å; F341-P343 HydrophobicContact CZ-CB 4.32Å; P343-V345 PolarHBondContact O-N 2.92Å
344K96.6Very high96.8Very high119 Ų11934 Ų3452%0.51719%0.189SC..PPolyproline II helixtrans-59.9136.4175-172173.4-178.1179.90109.1F211 E215 R334 T346F211-K344 WeakPolarHBondContact CE2-O 3.37Å; E215-K344 PolarHBondContact OE2-N 3.24Å; R334-K344 VanDerWaalsContact NH1-CB 3.26Å; R334-K344 VanDerWaalsContact NH1-N 3.13Å; K344-T346 PolarHBondContact O-N 3.3Å
345V96.4Very high97Very high11 Ų1129.3 Ų29.37%0.06717%0.171CC..PPolyproline II helixtrans-63.7127.8171.6-66.50000109.6I209 F211 P343 F349 F423I209-V345 HydrophobicContact CD1-CG1 4.14Å; F211-V345 HydrophobicContact CZ-CG1 4.47Å; P343-V345 PolarHBondContact O-N 2.92Å; V345-F349 HydrophobicContact CB-CE2 4.1Å; V345-F349 HydrophobicContact CB-CZ 4.09Å; V345-F349 HydrophobicContact CG1-CZ 4.26Å; V345-F423 HydrophobicContact CB-CD1 4.4Å; V345-F423 HydrophobicContact CB-CE1 3.94Å; V345-F423 HydrophobicContact CB-CZ 4.11Å; V345-F423 HydrophobicContact CG1-CE1 4.21Å; V345-F423 HydrophobicContact CG1-CE2 4.14Å; V345-F423 HydrophobicContact CG1-CZ 3.89Å; V345-F423 HydrophobicContact CG2-CD1 3.87Å; V345-F423 HydrophobicContact CG2-CE1 3.91Å; V345-F423 HydrophobicContact CG2-CG 4.35Å; V345-F423 HydrophobicContact CG2-CZ 4.42Å
346T93.8Very high96.9Very high68 Ų6831.4 Ų31.442%0.41718%0.175SC..  trans-138.4141.6-177.255.40000111.2K344K344-T346 PolarHBondContact O-N 3.3Å
347G94.4Very high96.7Very high50 Ų5035.8 Ų35.852%0.51519%0.194SC..SBendtrans77.1-172.4-178.900000112.8F349G347-F349 WeakPolarHBondContact O-CD2 3.5Å; G347-F349 WeakPolarHBondContact O-CE2 3.42Å
348S97.2Very high96.6Very high58 Ų5836.3 Ų36.341%0.40620%0.197SC..  trans-82.9152.5-179.1-48.80000112.5V197 G198 D430V197-S348 CarbonylContact C-O 3.59Å; V197-S348 WeakPolarHBondContact CA-O 3.42Å; V197-S348 WeakPolarHBondContact CG1-O 3.32Å; G198-S348 PolarHBondContact N-O 3.35Å; S348-D430 WeakPolarHBondContact CA-O 3.48Å
349F98.3Very high96.6Very high1 Ų134 Ų340%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-125.4147.2178.6-72.7-102.4000111.4G198 L200 I209 F211 V345 G347 F423 D430 I431 S432G198-F349 CarbonylContact O-C 3.57Å; G198-F349 WeakPolarHBondContact O-CA 3.01Å; L200-F349 HydrophobicContact CD1-CB 4.23Å; L200-F349 HydrophobicContact CD1-CD1 4.33Å; L200-F349 HydrophobicContact CD2-CD1 3.87Å; L200-F349 HydrophobicContact CD2-CE1 4.25Å; L200-F349 HydrophobicContact CG-CB 4.33Å; L200-F349 HydrophobicContact CG-CD1 3.87Å; L200-F349 HydrophobicContact CG-CG 4.46Å; I209-F349 HydrophobicContact CD1-CE1 4.47Å; I209-F349 HydrophobicContact CG1-CE1 4.42Å; F211-F349 HydrophobicContact CB-CE1 3.84Å; F211-F349 HydrophobicContact CB-CZ 3.92Å; F211-F349 AromaticContact CD1-CE1 3.72Å; F211-F349 HydrophobicContact CD1-CE1 3.72Å; F211-F349 AromaticContact CD1-CZ 3.8Å; F211-F349 HydrophobicContact CD1-CZ 3.8Å; F211-F349 HydrophobicContact CD2-CZ 4.2Å; F211-F349 HydrophobicContact CE1-CE1 4.47Å; F211-F349 HydrophobicContact CE1-CZ 4.32Å; F211-F349 AromaticContact CG-CE1 3.91Å; F211-F349 HydrophobicContact CG-CE1 3.91Å; F211-F349 AromaticContact CG-CZ 3.73Å; F211-F349 HydrophobicContact CG-CZ 3.73Å; V345-F349 HydrophobicContact CB-CE2 4.1Å; V345-F349 HydrophobicContact CB-CZ 4.09Å; V345-F349 HydrophobicContact CG1-CZ 4.26Å; G347-F349 WeakPolarHBondContact O-CD2 3.5Å; G347-F349 WeakPolarHBondContact O-CE2 3.42Å; F349-F423 HydrophobicContact CD1-CZ 4.1Å; F349-F423 AromaticContact CD2-CE1 3.68Å; F349-F423 HydrophobicContact CD2-CE1 3.68Å; F349-F423 AromaticContact CD2-CZ 3.77Å; F349-F423 HydrophobicContact CD2-CZ 3.77Å; F349-F423 HydrophobicContact CE1-CZ 4.22Å; F349-F423 AromaticContact CE2-CE1 3.87Å; F349-F423 HydrophobicContact CE2-CE1 3.87Å; F349-F423 AromaticContact CE2-CZ 3.92Å; F349-F423 HydrophobicContact CE2-CZ 3.92Å; F349-F423 HydrophobicContact CG-CE1 4.19Å; F349-F423 AromaticContact CG-CZ 3.87Å; F349-F423 HydrophobicContact CG-CZ 3.87Å; F349-F423 HydrophobicContact CZ-CZ 4.14Å; F349-D430 PolarHBondContact N-O 3.27Å; F349-I431 HydrophobicContact CB-CG1 4.41Å; F349-S432 PolarHBondContact O-N 3.14Å; F349-S432 PolarHBondContact O-OG 3.48Å; F349-S432 VanDerWaalsContact O-OG 3.1Å
350M98.2Very high96.5Very high1 Ų129.6 Ų29.61%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-107.7121.5164.4-176.9173.2-71.900108.8V173 L177 V197 G198 L200 S432 Q434 V442V173-M350 HydrophobicContact CG1-CB 3.76Å; V173-M350 HydrophobicContact CG1-SD 4.15Å; V173-M350 HydrophobicContact CG2-CB 4.1Å; V173-M350 HydrophobicContact CG2-CG 4.32Å; V173-M350 HydrophobicContact CG2-SD 3.95Å; L177-M350 HydrophobicContact CD1-CE 4.11Å; L177-M350 HydrophobicContact CD2-CE 4.06Å; L177-M350 HydrophobicContact CG-CE 4.26Å; V197-M350 HydrophobicContact CG1-CB 4.1Å; G198-M350 PolarHBondContact O-N 3.2Å; L200-M350 PolarHBondContact N-O 3.47Å; M350-S432 CarbonylContact C-O 3.54Å; M350-S432 WeakPolarHBondContact CA-O 3.41Å; M350-Q434 HydrophobicContact CE-CB 4.37Å; M350-Q434 HydrophobicContact CG-CB 4.38Å; M350-Q434 HydrophobicContact SD-CB 4.33Å; M350-V442 HydrophobicContact SD-CG1 4.21Å; M350-V442 HydrophobicContact SD-CG2 4.02Å
351A98.3Very high96.2Very high0 Ų030.5 Ų30.50%018%0.176CC..EExtended strand (participates in β ladder)trans-106.8118177.500000110.1L200 F355 I431 S432 F433 Q434L200-A351 HydrophobicContact CB-CB 4.02Å; L200-A351 HydrophobicContact CD1-CB 4.19Å; L200-A351 WeakPolarHBondContact O-CA 3.5Å; A351-F355 HydrophobicContact CB-CB 3.7Å; A351-F355 HydrophobicContact CB-CD2 4.07Å; A351-F355 HydrophobicContact CB-CG 3.9Å; A351-I431 HydrophobicContact CB-CG2 3.72Å; A351-S432 PolarHBondContact N-O 3.44Å; A351-F433 HydrophobicContact CB-CD1 3.85Å; A351-F433 HydrophobicContact CB-CE1 3.97Å; A351-F433 HydrophobicContact CB-CG 4.44Å; A351-F433 WeakPolarHBondContact O-CA 3.37Å; A351-Q434 PolarHBondContact O-N 3.21Å
352F97.3Very high96.1Very high1 Ų130.6 Ų30.60%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-127.2-175.2-17358.5-88000111.8V173 A199 L200 D201 A354 F355 Q434 V442V173-F352 HydrophobicContact CG2-CD1 4.33Å; V173-F352 HydrophobicContact CG2-CE1 4.02Å; A199-F352 HydrophobicContact CB-CE1 4.03Å; L200-F352 WeakPolarHBondContact O-CD1 3.29Å; L200-F352 PolarHBondContact O-N 2.6Å; D201-F352 HydrophobicContact CB-CD2 4.38Å; D201-F352 HydrophobicContact CB-CE1 4.33Å; D201-F352 HydrophobicContact CB-CE2 3.59Å; D201-F352 HydrophobicContact CB-CZ 3.55Å; D201-F352 VanDerWaalsContact OD2-CE2 3.31Å; D201-F352 WeakPolarHBondContact OD2-CE2 3.33Å; F352-A354 PolarHBondContact O-N 3.29Å; F352-F355 WeakPolarHBondContact O-CB 3.48Å; F352-F355 PolarHBondContact O-N 2.03Å; F352-Q434 WeakPolarHBondContact CA-O 3.33Å; F352-Q434 WeakPolarHBondContact CB-O 3.49Å; F352-V442 HydrophobicContact CB-CB 4.23Å; F352-V442 HydrophobicContact CB-CG1 4.03Å; F352-V442 HydrophobicContact CD1-CG1 3.63Å; F352-V442 HydrophobicContact CD2-CB 4.48Å; F352-V442 HydrophobicContact CD2-CG1 3.96Å; F352-V442 HydrophobicContact CE1-CG1 4Å; F352-V442 HydrophobicContact CE2-CG1 4.3Å; F352-V442 HydrophobicContact CG-CB 4.25Å; F352-V442 HydrophobicContact CG-CG1 3.61Å; F352-V442 HydrophobicContact CZ-CG1 4.33Å
353S94.3Very high96Very high32 Ų3232.5 Ų32.522%0.22419%0.186CC..EExtended strand (participates in β ladder)trans59.1-128.8-173.8-54.80000111.7D201 F202 F355 Y356 H357 N435D201-S353 WeakPolarHBondContact OD1-CB 3.02Å; D201-S353 PolarHBondContact OD1-OG 3.44Å; F202-S353 VanDerWaalsContact O-CB 3.26Å; F202-S353 WeakPolarHBondContact O-CB 3.39Å; S353-F355 PolarHBondContact O-N 2.78Å; S353-Y356 PolarHBondContact O-N 3.48Å; S353-H357 PolarHBondContact O-CD2 3.27Å; S353-H357 VanDerWaalsContact O-CD2 3.23Å; S353-H357 PolarHBondContact O-N 2.65Å; S353-N435 WeakPolarHBondContact CA-OD1 3.17Å; S353-N435 PolarHBondContact N-OD1 3.4Å
354A95.4Very high95.7Very high10 Ų1038.5 Ų38.58%0.08322%0.218CC..Hα-helixtrans-63.9-25-178.900000112.8F202 Q245 F352 Y356 H357 I358F202-A354 HydrophobicContact CB-CB 3.95Å; F202-A354 HydrophobicContact CD1-CB 3.93Å; F202-A354 HydrophobicContact CG-CB 3.88Å; F202-A354 WeakPolarHBondContact O-CB 3.42Å; F202-A354 PolarHBondContact O-N 3.05Å; Q245-A354 HydrophobicContact CB-CB 4.31Å; F352-A354 PolarHBondContact O-N 3.29Å; A354-Y356 PolarHBondContact O-N 2.96Å; A354-H357 PolarHBondContact O-N 2.63Å; A354-I358 HydrophobicContact CB-CD1 4.17Å; A354-I358 WeakPolarHBondContact O-CB 3.33Å; A354-I358 WeakPolarHBondContact O-CD1 3.5Å; A354-I358 WeakPolarHBondContact O-CG1 3.33Å; A354-I358 PolarHBondContact O-N 2.95Å
355F97.9Very high95.5Very high0 Ų033.7 Ų33.70%020%0.198CC..Hα-helixtrans-56.4-51.6173.2-77.7-60.7000111L200 F202 A351 F352 S353 H359 L413 L416 L417 Y421 F433L200-F355 HydrophobicContact CB-CD2 3.87Å; L200-F355 HydrophobicContact CB-CE2 3.57Å; L200-F355 HydrophobicContact CB-CZ 4.35Å; L200-F355 WeakPolarHBondContact O-CD2 3.27Å; F202-F355 HydrophobicContact CB-CD1 4.33Å; F202-F355 HydrophobicContact CB-CD2 3.41Å; F202-F355 VanDerWaalsContact CB-CD2 3.41Å; F202-F355 HydrophobicContact CB-CE1 4.41Å; F202-F355 HydrophobicContact CB-CE2 3.52Å; F202-F355 HydrophobicContact CB-CG 3.83Å; F202-F355 HydrophobicContact CB-CZ 4.01Å; F202-F355 AromaticContact CD1-CD1 3.97Å; F202-F355 HydrophobicContact CD1-CD1 3.97Å; F202-F355 AromaticContact CD1-CE1 3.94Å; F202-F355 HydrophobicContact CD1-CE1 3.94Å; F202-F355 HydrophobicContact CD1-CG 4.24Å; F202-F355 HydrophobicContact CD1-CZ 4.2Å; F202-F355 HydrophobicContact CG-CD2 4.41Å; F202-F355 HydrophobicContact CG-CE1 4.48Å; F202-F355 HydrophobicContact CG-CE2 4.29Å; F202-F355 HydrophobicContact CG-CZ 4.3Å; A351-F355 HydrophobicContact CB-CB 3.7Å; A351-F355 HydrophobicContact CB-CD2 4.07Å; A351-F355 HydrophobicContact CB-CG 3.9Å; F352-F355 WeakPolarHBondContact O-CB 3.48Å; F352-F355 PolarHBondContact O-N 2.03Å; S353-F355 PolarHBondContact O-N 2.78Å; F355-H359 WeakPolarHBondContact O-CB 3.35Å; F355-H359 PolarHBondContact O-N 2.81Å; F355-L413 HydrophobicContact CD1-CD1 3.32Å; F355-L413 HydrophobicContact CE1-CD1 3.69Å; F355-L416 HydrophobicContact CE1-CD2 3.95Å; F355-L416 HydrophobicContact CZ-CD2 3.67Å; F355-L416 HydrophobicContact CZ-CG 4.43Å; F355-L417 HydrophobicContact CD1-CD2 4.35Å; F355-L417 HydrophobicContact CE1-CD1 4.44Å; F355-L417 HydrophobicContact CE1-CD2 3.66Å; F355-L417 HydrophobicContact CE1-CG 3.99Å; F355-L417 HydrophobicContact CZ-CD2 4.1Å; F355-Y421 HydrophobicContact CZ-CE2 4.04Å; F355-F433 HydrophobicContact CB-CD1 4.07Å; F355-F433 HydrophobicContact CB-CE1 4.18Å; F355-F433 HydrophobicContact CD1-CE1 4.4Å
356Y96.6Very high95.4Very high81 Ų8133.5 Ų33.532%0.31820%0.197SC..Hα-helixtrans-61.6-48.3178.4168.7-101.6000111.7S353 A354 H359 S360 N435S353-Y356 PolarHBondContact O-N 3.48Å; A354-Y356 PolarHBondContact O-N 2.96Å; Y356-H359 PolarHBondContact O-N 3.26Å; Y356-S360 WeakPolarHBondContact O-CB 3.36Å; Y356-S360 PolarHBondContact O-N 3.14Å; Y356-N435 HydrophobicContact CD1-CB 3.55Å; Y356-N435 HydrophobicContact CE1-CB 3.95Å; Y356-N435 HydrophobicContact CG-CB 3.87Å
357H93.9Very high95.4Very high100 Ų10033.4 Ų33.446%0.46321%0.21SC..Hα-helixtrans-65.1-44.2-176.8-70.4-61.7000112.5S353 A354 S361 N435S353-H357 PolarHBondContact O-CD2 3.27Å; S353-H357 VanDerWaalsContact O-CD2 3.23Å; S353-H357 PolarHBondContact O-N 2.65Å; A354-H357 PolarHBondContact O-N 2.63Å; H357-S361 VanDerWaalsContact O-CB 3.26Å; H357-S361 WeakPolarHBondContact O-CB 3.47Å; H357-S361 PolarHBondContact O-N 2.84Å; H357-S361 PolarHBondContact O-OG 3.29Å; H357-S361 VanDerWaalsContact O-OG 3.11Å; H357-N435 PolarHBondContact NE2-ND2 3.44Å
358I95.5Very high95.4Very high11 Ų1133 Ų336%0.05620%0.197CC..Hα-helixtrans-64.4-47.7178.1-62.8163.8000109.9F202 Q245 A354 S361 L362 L413F202-I358 HydrophobicContact CD1-CD1 4.11Å; F202-I358 HydrophobicContact CE1-CD1 3.81Å; Q245-I358 HydrophobicContact CG-CD1 4.45Å; A354-I358 HydrophobicContact CB-CD1 4.17Å; A354-I358 WeakPolarHBondContact O-CB 3.33Å; A354-I358 WeakPolarHBondContact O-CD1 3.5Å; A354-I358 WeakPolarHBondContact O-CG1 3.33Å; A354-I358 PolarHBondContact O-N 2.95Å; I358-S361 PolarHBondContact O-N 2.83Å; I358-L362 VanDerWaalsContact O-CB 3.23Å; I358-L362 WeakPolarHBondContact O-CB 3.48Å; I358-L362 PolarHBondContact O-N 3.44Å; I358-L413 HydrophobicContact CB-CD2 4.24Å; I358-L413 HydrophobicContact CG2-CB 4.04Å; I358-L413 HydrophobicContact CG2-CD2 3.69Å; I358-L413 HydrophobicContact CG2-CG 4.45Å
359H96.8Very high95.4Very high15 Ų1537.8 Ų37.87%0.06921%0.211CC..Hα-helixtrans-60.4-48178.9-179.1-86.2000111.7F355 Y356 L362 Q363 V370 L413 F433F355-H359 WeakPolarHBondContact O-CB 3.35Å; F355-H359 PolarHBondContact O-N 2.81Å; Y356-H359 PolarHBondContact O-N 3.26Å; H359-L362 PolarHBondContact O-N 3.29Å; H359-Q363 PolarHBondContact CE1-NE2 3.07Å; H359-Q363 PolarHBondContact ND1-NE2 3.34Å; H359-Q363 WeakPolarHBondContact O-CG 3.39Å; H359-Q363 PolarHBondContact O-N 3.04Å; H359-V370 PolarHBondContact NE2-O 2.92Å; H359-L413 HydrophobicContact CB-CD2 4.43Å; H359-F433 HydrophobicContact CB-CB 4.22Å; H359-F433 HydrophobicContact CB-CD1 3.63Å; H359-F433 HydrophobicContact CB-CE1 4.11Å; H359-F433 HydrophobicContact CB-CG 3.88Å; H359-F433 AromaticContact CD2-CD2 3.56Å; H359-F433 AromaticContact CD2-CE2 3.64Å; H359-F433 AromaticContact CD2-CG 3.78Å; H359-F433 AromaticContact CD2-CZ 3.92Å; H359-F433 AromaticContact CE1-CD2 3.96Å; H359-F433 AromaticContact CG-CD1 3.86Å; H359-F433 AromaticContact CG-CD2 3.87Å; H359-F433 AromaticContact CG-CG 3.62Å; H359-F433 AromaticContact ND1-CG 3.96Å; H359-F433 AromaticContact NE2-CD2 3.63Å; H359-F433 AromaticContact NE2-CE2 3.88Å
360S94.6Very high95.3Very high30 Ų3038 Ų3821%0.2121%0.212CC..Hα-helixtrans-62.5-47.8178.6-175.10000112.1Y356 L362 Q363 N364Y356-S360 WeakPolarHBondContact O-CB 3.36Å; Y356-S360 PolarHBondContact O-N 3.14Å; S360-L362 VanDerWaalsContact C-N 3.34Å; S360-L362 PolarHBondContact O-N 3.15Å; S360-Q363 PolarHBondContact O-N 3.29Å; S360-N364 WeakPolarHBondContact O-CB 3.14Å; S360-N364 VanDerWaalsContact O-CG 3.22Å; S360-N364 PolarHBondContact O-N 3.19Å; S360-N364 PolarHBondContact O-ND2 3.48Å
361S92.4Very high95.2Very high39 Ų3944.9 Ų44.927%0.27324%0.242SC..Hα-helixtrans-60.9-42176-71.10000112.1H357 I358 N364 V365H357-S361 VanDerWaalsContact O-CB 3.26Å; H357-S361 WeakPolarHBondContact O-CB 3.47Å; H357-S361 PolarHBondContact O-N 2.84Å; H357-S361 PolarHBondContact O-OG 3.29Å; H357-S361 VanDerWaalsContact O-OG 3.11Å; I358-S361 PolarHBondContact O-N 2.83Å; S361-N364 PolarHBondContact O-N 3.45Å; S361-V365 WeakPolarHBondContact O-CB 3.5Å; S361-V365 VanDerWaalsContact O-CG2 3.26Å; S361-V365 WeakPolarHBondContact O-CG2 3.42Å; S361-V365 PolarHBondContact O-N 2.95Å
362L94.9Very high95.2Very high3 Ų347 Ų472%0.01626%0.255CS..Hα-helixtrans-60.5-47.3177.8-17961.3000111.3I358 H359 S360 T366 V370 L376 A379 V383I358-L362 VanDerWaalsContact O-CB 3.23Å; I358-L362 WeakPolarHBondContact O-CB 3.48Å; I358-L362 PolarHBondContact O-N 3.44Å; H359-L362 PolarHBondContact O-N 3.29Å; S360-L362 VanDerWaalsContact C-N 3.34Å; S360-L362 PolarHBondContact O-N 3.15Å; L362-T366 HydrophobicContact CD1-CG2 3.82Å; L362-T366 VanDerWaalsContact O-CB 3.3Å; L362-T366 WeakPolarHBondContact O-CB 3.32Å; L362-T366 VanDerWaalsContact O-CG2 3.25Å; L362-T366 WeakPolarHBondContact O-CG2 3.21Å; L362-T366 PolarHBondContact O-N 3.39Å; L362-T366 PolarHBondContact O-OG1 3.31Å; L362-V370 HydrophobicContact CD2-CG2 4.39Å; L362-L376 HydrophobicContact CD2-CD1 3.73Å; L362-A379 HydrophobicContact CD1-CB 4.02Å; L362-A379 HydrophobicContact CD2-CB 3.91Å; L362-A379 HydrophobicContact CG-CB 3.85Å; L362-V383 HydrophobicContact CD1-CB 4.04Å; L362-V383 HydrophobicContact CD1-CG1 3.69Å
363Q95.1Very high95.3Very high52 Ų5247.7 Ų47.724%0.24326%0.259CS..Hα-helixtrans-64.8-42.3177.6-64.6-172.211900111.9H359 S360 G367 V368 V370H359-Q363 PolarHBondContact CE1-NE2 3.07Å; H359-Q363 PolarHBondContact ND1-NE2 3.34Å; H359-Q363 WeakPolarHBondContact O-CG 3.39Å; H359-Q363 PolarHBondContact O-N 3.04Å; S360-Q363 PolarHBondContact O-N 3.29Å; Q363-G367 VanDerWaalsContact O-CA 3.26Å; Q363-G367 WeakPolarHBondContact O-CA 3.37Å; Q363-G367 PolarHBondContact O-N 3.02Å; Q363-V368 WeakPolarHBondContact CG-O 3.49Å; Q363-V370 HydrophobicContact CG-CB 4.31Å; Q363-V370 HydrophobicContact CG-CG2 4.15Å
364N92.4Very high95.5Very high127 Ų12751 Ų5168%0.67927%0.274SS*.Hα-helixtrans-64.6-42.7-180-72.5-19.5000112.3S360 S361S360-N364 WeakPolarHBondContact O-CB 3.14Å; S360-N364 VanDerWaalsContact O-CG 3.22Å; S360-N364 PolarHBondContact O-N 3.19Å; S360-N364 PolarHBondContact O-ND2 3.48Å; S361-N364 PolarHBondContact O-N 3.45Å
365V91.8Very high95.6Very high18 Ų1853.9 Ų53.911%0.10929%0.286CS..Hα-helixtrans-72.7-38.5-179.51690000111.7S361 V383 M386 L391 V394 Y406S361-V365 WeakPolarHBondContact O-CB 3.5Å; S361-V365 VanDerWaalsContact O-CG2 3.26Å; S361-V365 WeakPolarHBondContact O-CG2 3.42Å; S361-V365 PolarHBondContact O-N 2.95Å; V365-V383 HydrophobicContact CG1-CG2 4Å; V365-M386 HydrophobicContact CG1-CE 4.04Å; V365-M386 HydrophobicContact CG1-SD 3.86Å; V365-L391 HydrophobicContact CG1-CD2 4.19Å; V365-V394 HydrophobicContact CG1-CG2 3.86Å; V365-Y406 HydrophobicContact CG2-CD2 4Å; V365-Y406 HydrophobicContact CG2-CE2 3.7Å
366T94.1Very high95.6Very high6 Ų653.9 Ų53.94%0.03729%0.286CS..Hα-helixtrans-94.5-21.4-172.765.10000113.7L362 V368 A379 K382 V383L362-T366 HydrophobicContact CD1-CG2 3.82Å; L362-T366 VanDerWaalsContact O-CB 3.3Å; L362-T366 WeakPolarHBondContact O-CB 3.32Å; L362-T366 VanDerWaalsContact O-CG2 3.25Å; L362-T366 WeakPolarHBondContact O-CG2 3.21Å; L362-T366 PolarHBondContact O-N 3.39Å; L362-T366 PolarHBondContact O-OG1 3.31Å; T366-V368 PolarHBondContact O-N 3.37Å; T366-V368 PolarHBondContact OG1-N 3.35Å; T366-A379 HydrophobicContact CG2-CB 4.42Å; T366-A379 WeakPolarHBondContact CG2-O 3.37Å; T366-K382 HydrophobicContact CG2-CB 4.26Å; T366-K382 HydrophobicContact CG2-CD 4.41Å; T366-K382 HydrophobicContact CG2-CG 4.32Å; T366-K382 PolarHBondContact O-NZ 2.94Å; T366-V383 HydrophobicContact CG2-CB 4.07Å
367G93.8Very high95.7Very high67 Ų6752.8 Ų52.869%0.69128%0.283SS*.  trans694.4-168.500000114.1Q363Q363-G367 VanDerWaalsContact O-CA 3.26Å; Q363-G367 WeakPolarHBondContact O-CA 3.37Å; Q363-G367 PolarHBondContact O-N 3.02Å
368V95.3Very high95.9Very high42 Ų4251.8 Ų51.826%0.25528%0.282SS..  trans-89125.3-179.4-179.30000108.8Q363 T366 V370 A379Q363-V368 WeakPolarHBondContact CG-O 3.49Å; T366-V368 PolarHBondContact O-N 3.37Å; T366-V368 PolarHBondContact OG1-N 3.35Å; V368-V370 HydrophobicContact CG1-CG2 4.5Å; V368-A379 HydrophobicContact CB-CB 3.94Å; V368-A379 HydrophobicContact CG1-CB 4.06Å; V368-A379 HydrophobicContact CG2-CB 4.43Å
369K96.1Very high96Very high157 Ų15751.3 Ų51.368%0.68328%0.279SS*.  trans-77123.3170.1-67.1-174.8179.2-179.70109.2Q375K369-Q375 PolarHBondContact O-OE1 3.27Å; K369-Q375 VanDerWaalsContact O-OE1 3.14Å
370V97.4Very high96.1Very high5 Ų550.6 Ų50.63%0.0328%0.276CS..  trans-103.6101.5-174.7176.50000109.8H359 L362 Q363 V368 L376 A379 F428H359-V370 PolarHBondContact NE2-O 2.92Å; L362-V370 HydrophobicContact CD2-CG2 4.39Å; Q363-V370 HydrophobicContact CG-CB 4.31Å; Q363-V370 HydrophobicContact CG-CG2 4.15Å; V368-V370 HydrophobicContact CG1-CG2 4.5Å; V370-L376 HydrophobicContact CG1-CB 3.61Å; V370-L376 HydrophobicContact CG1-CD1 3.97Å; V370-L376 HydrophobicContact CG1-CG 4.34Å; V370-A379 HydrophobicContact CG2-CB 3.78Å; V370-F428 HydrophobicContact CG1-CE1 4.38Å; V370-F428 HydrophobicContact CG1-CZ 4.26Å
371K96.1Very high96.3Very high147 Ų14752.4 Ų52.464%0.63928%0.28SS*.  trans-125.1-10.4176.7-63.4-170.4173.7-167.70114.1F428K371-F428 WeakPolarHBondContact O-CD1 3.48Å
372T98.2Very high96.5Very high45 Ų4555.1 Ų55.128%0.27629%0.287SS..SBendtrans-132158.9178.670.50000110.9L374 Q375 L376T372-L374 VanDerWaalsContact C-N 3.29Å; T372-L374 PolarHBondContact O-N 2.84Å; T372-Q375 PolarHBondContact O-N 3.42Å; T372-Q375 VanDerWaalsContact O-N 3.1Å; T372-Q375 WeakPolarHBondContact OG1-CG 3.25Å; T372-Q375 PolarHBondContact OG1-N 3Å; T372-L376 PolarHBondContact O-N 2.95Å
373P98.3Very high96.5Very high14 Ų1455 Ų559%0.09129%0.286CS..Hα-helixtrans-52.4-44.5173.5-29.137.1000113.1Q375 L376 E377 L418 D425 F428P373-Q375 VanDerWaalsContact C-N 3.35Å; P373-Q375 PolarHBondContact O-N 3.32Å; P373-L376 WeakPolarHBondContact O-CB 3.47Å; P373-L376 PolarHBondContact O-N 3.37Å; P373-E377 PolarHBondContact O-N 3.45Å; P373-L418 HydrophobicContact CB-CD1 3.93Å; P373-L418 HydrophobicContact CB-CD2 3.9Å; P373-L418 HydrophobicContact CG-CD2 3.88Å; P373-D425 VanDerWaalsContact CD-OD1 3.32Å; P373-D425 WeakPolarHBondContact CD-OD1 3.46Å; P373-D425 WeakPolarHBondContact CG-OD1 3.08Å; P373-F428 HydrophobicContact CG-CB 3.89Å; P373-F428 HydrophobicContact CG-CD2 4.44Å; P373-F428 HydrophobicContact CG-CG 4.04Å
374L98.2Very high96.6Very high103 Ų10352.7 Ų52.754%0.53928%0.276SS..Hα-helixtrans-62.8-38.5177.6-179.162.8000112.7T372 E377 N378T372-L374 VanDerWaalsContact C-N 3.29Å; T372-L374 PolarHBondContact O-N 2.84Å; L374-E377 PolarHBondContact O-N 3.39Å; L374-N378 WeakPolarHBondContact O-CB 3.04Å; L374-N378 VanDerWaalsContact O-CG 3.3Å; L374-N378 PolarHBondContact O-N 3.5Å; L374-N378 PolarHBondContact O-ND2 2.04Å
375Q98.4Very high96.8Very high69 Ų6950.7 Ų50.732%0.32227%0.272SS..Hα-helixtrans-68.9-38.5176.1-72.3169.8-13.100111.7K369 T372 P373 E377 N378 A379K369-Q375 PolarHBondContact O-OE1 3.27Å; K369-Q375 VanDerWaalsContact O-OE1 3.14Å; T372-Q375 PolarHBondContact O-N 3.42Å; T372-Q375 VanDerWaalsContact O-N 3.1Å; T372-Q375 WeakPolarHBondContact OG1-CG 3.25Å; T372-Q375 PolarHBondContact OG1-N 3Å; P373-Q375 VanDerWaalsContact C-N 3.35Å; P373-Q375 PolarHBondContact O-N 3.32Å; Q375-E377 VanDerWaalsContact C-N 3.35Å; Q375-N378 PolarHBondContact O-N 2.99Å; Q375-A379 VanDerWaalsContact O-CB 3.31Å; Q375-A379 WeakPolarHBondContact O-CB 3.33Å; Q375-A379 PolarHBondContact O-N 3.28Å
376L98.5Very high97Very high0 Ų051 Ų510%027%0.272CS..Hα-helixtrans-60.8-46.1174.2177.158.5000110.6L362 V370 T372 P373 A379 T380 L413 Q414 F428L362-L376 HydrophobicContact CD2-CD1 3.73Å; V370-L376 HydrophobicContact CG1-CB 3.61Å; V370-L376 HydrophobicContact CG1-CD1 3.97Å; V370-L376 HydrophobicContact CG1-CG 4.34Å; T372-L376 PolarHBondContact O-N 2.95Å; P373-L376 WeakPolarHBondContact O-CB 3.47Å; P373-L376 PolarHBondContact O-N 3.37Å; L376-A379 PolarHBondContact O-N 3.41Å; L376-T380 VanDerWaalsContact O-CB 3.27Å; L376-T380 WeakPolarHBondContact O-CB 3.34Å; L376-T380 PolarHBondContact O-N 3.42Å; L376-T380 PolarHBondContact O-OG1 2.8Å; L376-L413 HydrophobicContact CD1-CD2 4.17Å; L376-Q414 HydrophobicContact CD2-CB 4.06Å; L376-Q414 HydrophobicContact CD2-CG 4.23Å; L376-Q414 HydrophobicContact CG-CB 4.23Å; L376-Q414 HydrophobicContact CG-CG 4.33Å; L376-F428 HydrophobicContact CB-CZ 4.32Å; L376-F428 HydrophobicContact CD2-CE2 3.81Å; L376-F428 HydrophobicContact CD2-CZ 3.92Å
377E98.2Very high97Very high58 Ų5852.6 Ų52.627%0.27128%0.28SS..Hα-helixtrans-60.1-50.4176.5-174.8-176.4162.800111.6P373 L374 Q375 A379 T380 K381P373-E377 PolarHBondContact O-N 3.45Å; L374-E377 PolarHBondContact O-N 3.39Å; Q375-E377 VanDerWaalsContact C-N 3.35Å; E377-A379 PolarHBondContact O-N 3.19Å; E377-T380 PolarHBondContact O-N 2.99Å; E377-T380 VanDerWaalsContact O-N 3.16Å; E377-K381 HydrophobicContact CG-CD 4.29Å; E377-K381 WeakPolarHBondContact O-CG 3.36Å; E377-K381 PolarHBondContact O-N 3Å; E377-K381 WeakPolarHBondContact OE1-CE 3.49Å; E377-K381 IonicContact OE1-NZ 2.73Å; E377-K381 PolarHBondContact OE1-NZ 2.89Å
378N98.1Very high97Very high80 Ų8051.7 Ų51.743%0.42826%0.256SS..Hα-helixtrans-62.1-42.9-179.6-75.7-25.3000112.5L374 Q375 T380 K382L374-N378 WeakPolarHBondContact O-CB 3.04Å; L374-N378 VanDerWaalsContact O-CG 3.3Å; L374-N378 PolarHBondContact O-N 3.5Å; L374-N378 PolarHBondContact O-ND2 2.04Å; Q375-N378 PolarHBondContact O-N 2.99Å; N378-T380 VanDerWaalsContact C-N 3.33Å; N378-K382 WeakPolarHBondContact O-CB 3.47Å; N378-K382 PolarHBondContact O-N 3.45Å
379A98.1Very high96.9Very high0 Ų052.6 Ų52.60%027%0.265CS..Hα-helixtrans-63.1-42.217500000111L362 T366 V368 V370 Q375 L376 E377 K382 V383L362-A379 HydrophobicContact CD1-CB 4.02Å; L362-A379 HydrophobicContact CD2-CB 3.91Å; L362-A379 HydrophobicContact CG-CB 3.85Å; T366-A379 HydrophobicContact CG2-CB 4.42Å; T366-A379 WeakPolarHBondContact CG2-O 3.37Å; V368-A379 HydrophobicContact CB-CB 3.94Å; V368-A379 HydrophobicContact CG1-CB 4.06Å; V368-A379 HydrophobicContact CG2-CB 4.43Å; V370-A379 HydrophobicContact CG2-CB 3.78Å; Q375-A379 VanDerWaalsContact O-CB 3.31Å; Q375-A379 WeakPolarHBondContact O-CB 3.33Å; Q375-A379 PolarHBondContact O-N 3.28Å; L376-A379 PolarHBondContact O-N 3.41Å; E377-A379 PolarHBondContact O-N 3.19Å; A379-K382 WeakPolarHBondContact O-CB 2.92Å; A379-K382 PolarHBondContact O-N 2.91Å; A379-V383 PolarHBondContact O-N 3.45Å
380T98.1Very high96.7Very high0 Ų049.2 Ų49.20%025%0.251CS..Hα-helixtrans-64.9-45.8178.8-57.90000111.8Y314 L376 E377 N378 K382 V383 C384 V411Y314-T380 HydrophobicContact CD2-CG2 4.02Å; Y314-T380 HydrophobicContact CE2-CG2 3.61Å; L376-T380 VanDerWaalsContact O-CB 3.27Å; L376-T380 WeakPolarHBondContact O-CB 3.34Å; L376-T380 PolarHBondContact O-N 3.42Å; L376-T380 PolarHBondContact O-OG1 2.8Å; E377-T380 PolarHBondContact O-N 2.99Å; E377-T380 VanDerWaalsContact O-N 3.16Å; N378-T380 VanDerWaalsContact C-N 3.33Å; T380-K382 VanDerWaalsContact C-N 3.28Å; T380-K382 PolarHBondContact O-N 3.36Å; T380-V383 VanDerWaalsContact O-CG1 3.28Å; T380-V383 WeakPolarHBondContact O-CG1 2.98Å; T380-V383 PolarHBondContact O-N 3.37Å; T380-C384 WeakPolarHBondContact O-CB 3.41Å; T380-C384 PolarHBondContact O-N 3.46Å; T380-C384 PolarHBondContact O-SG 3.04Å; T380-V411 HydrophobicContact CG2-CB 4.37Å; T380-V411 HydrophobicContact CG2-CG2 3.44Å; T380-V411 VanDerWaalsContact CG2-CG2 3.44Å
381K98.2Very high96.3Very high69 Ų6949 Ų4930%0.325%0.25SS..Hα-helixtrans-55.7-44.8172.3-77.4179177.3176.90111.3Y314 E315 E377 C384 S385Y314-K381 HydrophobicContact CD1-CD 4.11Å; Y314-K381 VanDerWaalsContact CD1-CE 3.49Å; Y314-K381 HydrophobicContact CD1-CG 3.5Å; Y314-K381 HydrophobicContact CD2-CG 3.87Å; Y314-K381 HydrophobicContact CE1-CD 4.03Å; Y314-K381 HydrophobicContact CE1-CG 3.62Å; Y314-K381 HydrophobicContact CE2-CG 3.95Å; Y314-K381 HydrophobicContact CG-CB 4.48Å; Y314-K381 HydrophobicContact CG-CG 3.63Å; E315-K381 IonicContact OE1-NZ 3.7Å; E377-K381 HydrophobicContact CG-CD 4.29Å; E377-K381 WeakPolarHBondContact O-CG 3.36Å; E377-K381 PolarHBondContact O-N 3Å; E377-K381 WeakPolarHBondContact OE1-CE 3.49Å; E377-K381 IonicContact OE1-NZ 2.73Å; E377-K381 PolarHBondContact OE1-NZ 2.89Å; K381-C384 PolarHBondContact O-N 2.01Å; K381-S385 PolarHBondContact O-N 3.1Å
382K96.9Very high96Very high96 Ų9645.1 Ų45.142%0.41723%0.234SC..Hα-helixtrans-61-49.7179.3-174.8170.2177.3-176.70112T366 N378 A379 T380 C384 S385 M386T366-K382 HydrophobicContact CG2-CB 4.26Å; T366-K382 HydrophobicContact CG2-CD 4.41Å; T366-K382 HydrophobicContact CG2-CG 4.32Å; T366-K382 PolarHBondContact O-NZ 2.94Å; N378-K382 WeakPolarHBondContact O-CB 3.47Å; N378-K382 PolarHBondContact O-N 3.45Å; A379-K382 WeakPolarHBondContact O-CB 2.92Å; A379-K382 PolarHBondContact O-N 2.91Å; T380-K382 VanDerWaalsContact C-N 3.28Å; T380-K382 PolarHBondContact O-N 3.36Å; K382-C384 VanDerWaalsContact C-N 3.34Å; K382-C384 PolarHBondContact O-N 2.79Å; K382-S385 PolarHBondContact O-N 3.33Å; K382-S385 PolarHBondContact O-OG 3.29Å; K382-M386 HydrophobicContact CG-CE 4.3Å
383V96Very high95.4Very high1 Ų149.9 Ų49.91%0.00626%0.255CS..Hα-helixtrans-66.4-36179.774.50000112.2L362 V365 T366 A379 T380 S385 M386 L391L362-V383 HydrophobicContact CD1-CB 4.04Å; L362-V383 HydrophobicContact CD1-CG1 3.69Å; V365-V383 HydrophobicContact CG1-CG2 4Å; T366-V383 HydrophobicContact CG2-CB 4.07Å; A379-V383 PolarHBondContact O-N 3.45Å; T380-V383 VanDerWaalsContact O-CG1 3.28Å; T380-V383 WeakPolarHBondContact O-CG1 2.98Å; T380-V383 PolarHBondContact O-N 3.37Å; V383-S385 VanDerWaalsContact C-N 3.29Å; V383-S385 PolarHBondContact O-N 3.41Å; V383-M386 PolarHBondContact O-N 2.03Å; V383-L391 HydrophobicContact CG2-CD2 3.91Å
384C97.1Very high94.7Very high2 Ų253 Ų531%0.01427%0.273CS..Hα-helixtrans-69-25.5176.8-70.10000113.7G312 Y314 T380 K381 K382 M386 C407G312-C384 CarbonylContact C-O 3.6Å; G312-C384 WeakPolarHBondContact CA-O 3.43Å; Y314-C384 HydrophobicContact CD2-CB 4.35Å; T380-C384 WeakPolarHBondContact O-CB 3.41Å; T380-C384 PolarHBondContact O-N 3.46Å; T380-C384 PolarHBondContact O-SG 3.04Å; K381-C384 PolarHBondContact O-N 2.01Å; K382-C384 VanDerWaalsContact C-N 3.34Å; K382-C384 PolarHBondContact O-N 2.79Å; C384-M386 VanDerWaalsContact C-N 3.33Å; C384-C407 VanDerWaalsContact CA-SG 3.53Å; C384-C407 HydrophobicContact CB-CB 3.89Å; C384-C407 WeakPolarHBondContact CB-SG 3.22Å; C384-C407 VanDerWaalsContact SG-CA 3.56Å; C384-C407 WeakPolarHBondContact SG-CB 3.05Å; C384-C407 CovalentContact SG-SG 2.03Å; C384-C407 PolarHBondContact SG-SG 2.78Å
385S96.2Very high93.7Very high85 Ų8548.9 Ų48.959%0.59425%0.253SS*.Hα-helixtrans-80-12.2176.871.60000114.1K381 K382 V383K381-S385 PolarHBondContact O-N 3.1Å; K382-S385 PolarHBondContact O-N 3.33Å; K382-S385 PolarHBondContact O-OG 3.29Å; V383-S385 VanDerWaalsContact C-N 3.29Å; V383-S385 PolarHBondContact O-N 3.41Å
386M94.9Very high92.5Very high25 Ų2549.9 Ų49.912%0.12326%0.261CS..  trans-74137.3178.4-64.4-178.2179.700111P272 V365 K382 V383 C384 Q390 L391 V394P272-M386 WeakPolarHBondContact CB-O 3.47Å; V365-M386 HydrophobicContact CG1-CE 4.04Å; V365-M386 HydrophobicContact CG1-SD 3.86Å; K382-M386 HydrophobicContact CG-CE 4.3Å; V383-M386 PolarHBondContact O-N 2.03Å; C384-M386 VanDerWaalsContact C-N 3.33Å; M386-Q390 HydrophobicContact CB-CB 4.31Å; M386-L391 HydrophobicContact CB-CD1 4.43Å; M386-L391 HydrophobicContact CB-CD2 3.94Å; M386-L391 HydrophobicContact CB-CG 3.75Å; M386-L391 HydrophobicContact CG-CD2 4.39Å; M386-L391 HydrophobicContact SD-CD2 3.6Å; M386-L391 VanDerWaalsContact SD-CD2 3.6Å; M386-L391 HydrophobicContact SD-CG 4.33Å; M386-V394 HydrophobicContact SD-CG2 4.42Å
387N95.3Very high90.9Very high39 Ų3958.2 Ų58.221%0.20930%0.297CS..BIsolated β-bridgetrans-80.4171.317269.138.3000111.6A273 S389 Q390 L391A273-N387 HydrophobicContact CB-CB 4.18Å; N387-S389 PolarHBondContact O-N 3.18Å; N387-S389 PolarHBondContact OD1-N 2.99Å; N387-S389 PolarHBondContact OD1-OG 3.25Å; N387-Q390 VanDerWaalsContact CG-OE1 3.31Å; N387-Q390 PolarHBondContact ND2-OE1 3.36Å; N387-Q390 PolarHBondContact O-N 2.69Å; N387-Q390 WeakPolarHBondContact OD1-CB 3.02Å; N387-Q390 VanDerWaalsContact OD1-CG 3.27Å; N387-Q390 WeakPolarHBondContact OD1-CG 3.29Å; N387-Q390 PolarHBondContact OD1-N 3.34Å; N387-Q390 PolarHBondContact OD1-OE1 3.47Å; N387-L391 PolarHBondContact O-N 3Å; N387-L391 VanDerWaalsContact O-N 3.07Å
388W93.9Very high89.2Confident48 Ų4864.1 Ų64.118%0.18232%0.322CS..Hα-helixtrans-58.3-44.8-175-176.6-128000113.2P272 A273 F275 Q390 L391 Q392 I400 V403 R404P272-W388 HydrophobicContact CG-CB 4.46Å; P272-W388 HydrophobicContact CG-CD2 4.44Å; P272-W388 HydrophobicContact CG-CE3 3.53Å; P272-W388 HydrophobicContact CG-CZ3 4.18Å; A273-W388 PolarHBondContact O-N 3.03Å; F275-W388 HydrophobicContact CB-CB 4.32Å; F275-W388 HydrophobicContact CB-CD2 4.44Å; F275-W388 HydrophobicContact CB-CG 4.33Å; F275-W388 AromaticContact CD2-CD2 3.83Å; F275-W388 HydrophobicContact CD2-CD2 3.83Å; F275-W388 AromaticContact CD2-CE2 3.83Å; F275-W388 HydrophobicContact CD2-CE3 4Å; F275-W388 HydrophobicContact CD2-CG 4.38Å; F275-W388 HydrophobicContact CD2-CH2 4.16Å; F275-W388 HydrophobicContact CD2-CZ2 4Å; F275-W388 HydrophobicContact CD2-CZ3 4.16Å; F275-W388 HydrophobicContact CE2-CH2 4.26Å; F275-W388 HydrophobicContact CE2-CZ2 4.14Å; W388-Q390 PolarHBondContact O-N 3.38Å; W388-L391 PolarHBondContact O-N 2.99Å; W388-Q392 HydrophobicContact CD2-CG 4.18Å; W388-Q392 HydrophobicContact CE3-CG 4.49Å; W388-Q392 HydrophobicContact CZ2-CG 4.24Å; W388-Q392 VanDerWaalsContact O-CG 3.25Å; W388-Q392 WeakPolarHBondContact O-CG 3.4Å; W388-Q392 PolarHBondContact O-N 3.35Å; W388-I400 HydrophobicContact CH2-CG1 4.23Å; W388-I400 HydrophobicContact CZ2-CG1 4.2Å; W388-V403 HydrophobicContact CZ3-CB 4.29Å; W388-V403 HydrophobicContact CZ3-CG1 4.06Å; W388-R404 HydrophobicContact CH2-CB 4.07Å; W388-R404 HydrophobicContact CZ3-CB 3.74Å
389S91.9Very high87.7Confident62 Ų6263.6 Ų63.643%0.43432%0.319SS..Hα-helixtrans-67.8-37.8-178.960.10000112.5N387 Q392 M393N387-S389 PolarHBondContact O-N 3.18Å; N387-S389 PolarHBondContact OD1-N 2.99Å; N387-S389 PolarHBondContact OD1-OG 3.25Å; S389-Q392 PolarHBondContact O-N 2.76Å; S389-M393 WeakPolarHBondContact O-CG 3.28Å; S389-M393 PolarHBondContact O-N 2.75Å
390Q92.4Very high86.3Confident86 Ų8666.5 Ų66.540%0.40233%0.334SS..Hα-helixtrans-60.9-48.2174.5-73.8170.1-33.900111.6M386 N387 W388 Q392 M393 V394M386-Q390 HydrophobicContact CB-CB 4.31Å; N387-Q390 VanDerWaalsContact CG-OE1 3.31Å; N387-Q390 PolarHBondContact ND2-OE1 3.36Å; N387-Q390 PolarHBondContact O-N 2.69Å; N387-Q390 WeakPolarHBondContact OD1-CB 3.02Å; N387-Q390 VanDerWaalsContact OD1-CG 3.27Å; N387-Q390 WeakPolarHBondContact OD1-CG 3.29Å; N387-Q390 PolarHBondContact OD1-N 3.34Å; N387-Q390 PolarHBondContact OD1-OE1 3.47Å; W388-Q390 PolarHBondContact O-N 3.38Å; Q390-Q392 VanDerWaalsContact C-N 3.29Å; Q390-Q392 PolarHBondContact O-N 3.24Å; Q390-M393 HydrophobicContact CG-CE 4.44Å; Q390-M393 PolarHBondContact O-N 3.11Å; Q390-M393 VanDerWaalsContact O-N 3.13Å; Q390-V394 WeakPolarHBondContact O-CG2 3.42Å; Q390-V394 PolarHBondContact O-N 3.34Å
391L89.9Confident85Confident1 Ų171.3 Ų71.31%0.00536%0.36CS..Hα-helixtrans-62.2-37.4178.4-77.8176.1000112.4P272 V365 V383 M386 N387 W388 M393 V394 S395 V403 Y406P272-L391 HydrophobicContact CB-CD1 3.52Å; P272-L391 HydrophobicContact CG-CD1 3.75Å; V365-L391 HydrophobicContact CG1-CD2 4.19Å; V383-L391 HydrophobicContact CG2-CD2 3.91Å; M386-L391 HydrophobicContact CB-CD1 4.43Å; M386-L391 HydrophobicContact CB-CD2 3.94Å; M386-L391 HydrophobicContact CB-CG 3.75Å; M386-L391 HydrophobicContact CG-CD2 4.39Å; M386-L391 HydrophobicContact SD-CD2 3.6Å; M386-L391 VanDerWaalsContact SD-CD2 3.6Å; M386-L391 HydrophobicContact SD-CG 4.33Å; N387-L391 PolarHBondContact O-N 3Å; N387-L391 VanDerWaalsContact O-N 3.07Å; W388-L391 PolarHBondContact O-N 2.99Å; L391-M393 VanDerWaalsContact C-N 3.28Å; L391-M393 PolarHBondContact O-N 3.01Å; L391-V394 PolarHBondContact O-N 2.64Å; L391-S395 WeakPolarHBondContact O-CB 3.46Å; L391-S395 PolarHBondContact O-N 2.92Å; L391-S395 VanDerWaalsContact O-N 3.15Å; L391-S395 PolarHBondContact O-OG 3.15Å; L391-V403 HydrophobicContact CB-CG1 3.7Å; L391-Y406 HydrophobicContact CD2-CD2 4.42Å
392Q88.4Confident84.2Confident65 Ų6576 Ų7630%0.30438%0.375SS..Hα-helixtrans-65.2-30.1176.2-70178.5-51.300113.2W388 S389 Q390 I400W388-Q392 HydrophobicContact CD2-CG 4.18Å; W388-Q392 HydrophobicContact CE3-CG 4.49Å; W388-Q392 HydrophobicContact CZ2-CG 4.24Å; W388-Q392 VanDerWaalsContact O-CG 3.25Å; W388-Q392 WeakPolarHBondContact O-CG 3.4Å; W388-Q392 PolarHBondContact O-N 3.35Å; S389-Q392 PolarHBondContact O-N 2.76Å; Q390-Q392 VanDerWaalsContact C-N 3.29Å; Q390-Q392 PolarHBondContact O-N 3.24Å; Q392-I400 HydrophobicContact CG-CD1 3.96Å
393M86.9Confident83.7Confident145 Ų14571.5 Ų71.571%0.71436%0.356SS*.Hα-helixtrans-75.7-32178.5-73.8-173.8-79.100113S389 Q390 L391S389-M393 WeakPolarHBondContact O-CG 3.28Å; S389-M393 PolarHBondContact O-N 2.75Å; Q390-M393 HydrophobicContact CG-CE 4.44Å; Q390-M393 PolarHBondContact O-N 3.11Å; Q390-M393 VanDerWaalsContact O-N 3.13Å; L391-M393 VanDerWaalsContact C-N 3.28Å; L391-M393 PolarHBondContact O-N 3.01Å
394V83.1Confident83.5Confident79 Ų7974.6 Ų74.648%0.47937%0.368SS..Hα-helixtrans-99.20.2-175.6-57.50000113.6V365 M386 Q390 L391V365-V394 HydrophobicContact CG1-CG2 3.86Å; M386-V394 HydrophobicContact SD-CG2 4.42Å; Q390-V394 WeakPolarHBondContact O-CG2 3.42Å; Q390-V394 PolarHBondContact O-N 3.34Å; L391-V394 PolarHBondContact O-N 2.64Å
395S77.3Confident83.3Confident16 Ų1675.6 Ų75.611%0.11237%0.373CS..SBendtrans-113.8155.9-177.9-560000112.4L391 K397 V403 Y406L391-S395 WeakPolarHBondContact O-CB 3.46Å; L391-S395 PolarHBondContact O-N 2.92Å; L391-S395 VanDerWaalsContact O-N 3.15Å; L391-S395 PolarHBondContact O-OG 3.15Å; S395-K397 PolarHBondContact O-N 3.19Å; S395-V403 VanDerWaalsContact CB-CG2 3.43Å; S395-Y406 WeakPolarHBondContact OG-CE2 3.38Å
396D72.6Confident83.2Confident91 Ų9173.4 Ų73.449%0.48735%0.352SS..  trans-65.8119171.5-175.5-5.1000110.5K398 N399D396-K398 PolarHBondContact O-N 3.03Å; D396-K398 VanDerWaalsContact O-N 3.11Å; D396-K398 WeakPolarHBondContact OD1-CB 3.25Å; D396-K398 PolarHBondContact OD1-N 3.44Å; D396-N399 PolarHBondContact O-N 3.4Å; D396-N399 VanDerWaalsContact O-N 3.15Å
397K64.4Low83.3Confident175 Ų17572.3 Ų72.376%0.76135%0.347SS*.G310 helixtrans-59.1-22.2179.7-68.5-176.2178.41800113.1S395 N399S395-K397 PolarHBondContact O-N 3.19Å; K397-N399 PolarHBondContact O-N 2.88Å
398K63.2Low83.4Confident182 Ų18270.5 Ų70.579%0.79134%0.337SS*.G310 helixtrans-66.7-18.8178.1-70.1-178.4177.7-178.30113.8D396D396-K398 PolarHBondContact O-N 3.03Å; D396-K398 VanDerWaalsContact O-N 3.11Å; D396-K398 WeakPolarHBondContact OD1-CB 3.25Å; D396-K398 PolarHBondContact OD1-N 3.44Å
399N66.4Low83.6Confident68 Ų6868.4 Ų68.436%0.36433%0.33SS..G310 helixtrans-125.638.5-174.5-72.9-60.2000113D396 K397 D401 R402 V403D396-N399 PolarHBondContact O-N 3.4Å; D396-N399 VanDerWaalsContact O-N 3.15Å; K397-N399 PolarHBondContact O-N 2.88Å; N399-D401 PolarHBondContact O-N 3.08Å; N399-D401 VanDerWaalsContact O-N 3.09Å; N399-R402 HydrophobicContact CB-CB 4.46Å; N399-R402 WeakPolarHBondContact O-CB 3.26Å; N399-R402 PolarHBondContact O-N 2.93Å; N399-V403 PolarHBondContact O-N 2.66Å
400I69Low83.9Confident61 Ų6165.6 Ų65.631%0.31331%0.31SS..Hα-helixtrans-53.2-34.6-174.1-15386.1000113.5W388 Q392 R402 V403W388-I400 HydrophobicContact CH2-CG1 4.23Å; W388-I400 HydrophobicContact CZ2-CG1 4.2Å; Q392-I400 HydrophobicContact CG-CD1 3.96Å; I400-R402 VanDerWaalsContact C-N 3.28Å; I400-R402 PolarHBondContact O-N 3.21Å; I400-V403 WeakPolarHBondContact O-CB 3.36Å; I400-V403 PolarHBondContact O-N 3.01Å
401D70.8Confident84.2Confident101 Ų10161.5 Ų61.554%0.5429%0.291SS..Hα-helixtrans-67.8-25.9178.5-77.4-48.7000113.6N399 R404N399-D401 PolarHBondContact O-N 3.08Å; N399-D401 VanDerWaalsContact O-N 3.09Å; D401-R404 WeakPolarHBondContact O-CG 3.42Å; D401-R404 IonicContact OD1-CZ 3.49Å; D401-R404 IonicContact OD1-NH1 2.81Å; D401-R404 PolarHBondContact OD1-NH1 3.13Å; D401-R404 IonicContact OD1-NH2 3.3Å
402R81.4Confident84.6Confident168 Ų16861.5 Ų61.563%0.63429%0.291SS*.Hα-helixtrans-80-30.5174.9-62.3-175.3-179.3-177.40.7111.5N399 I400 R404 N405 Y406N399-R402 HydrophobicContact CB-CB 4.46Å; N399-R402 WeakPolarHBondContact O-CB 3.26Å; N399-R402 PolarHBondContact O-N 2.93Å; I400-R402 VanDerWaalsContact C-N 3.28Å; I400-R402 PolarHBondContact O-N 3.21Å; R402-R404 VanDerWaalsContact C-N 3.33Å; R402-R404 PolarHBondContact O-N 3.06Å; R402-N405 WeakPolarHBondContact O-CB 3.41Å; R402-N405 PolarHBondContact O-N 3.08Å; R402-Y406 HydrophobicContact CB-CE1 4.45Å; R402-Y406 VanDerWaalsContact O-CD1 3.29Å; R402-Y406 WeakPolarHBondContact O-CD1 3.32Å
403V86.7Confident85Confident1 Ų158.4 Ų58.41%0.00628%0.276CS..Hα-helixtrans-59.8-40.1-175.8179.20000112.1W388 L391 S395 N399 I400 N405 Y406W388-V403 HydrophobicContact CZ3-CB 4.29Å; W388-V403 HydrophobicContact CZ3-CG1 4.06Å; L391-V403 HydrophobicContact CB-CG1 3.7Å; S395-V403 VanDerWaalsContact CB-CG2 3.43Å; N399-V403 PolarHBondContact O-N 2.66Å; I400-V403 WeakPolarHBondContact O-CB 3.36Å; I400-V403 PolarHBondContact O-N 3.01Å; V403-N405 PolarHBondContact O-N 3.03Å; V403-N405 VanDerWaalsContact O-N 3.11Å; V403-Y406 HydrophobicContact CG1-CD2 4.45Å; V403-Y406 HydrophobicContact CG1-CE2 4.41Å; V403-Y406 HydrophobicContact CG2-CE2 4.36Å; V403-Y406 WeakPolarHBondContact O-CB 3.25Å; V403-Y406 PolarHBondContact O-N 2.92Å; V403-Y406 VanDerWaalsContact O-N 3.13Å
404R90.6Very high85.5Confident67 Ų6752.2 Ų52.225%0.25325%0.246SC..THydrogen-bonded Turntrans-61.2-23.517869.8176.6176.9-110.6-2.6113.2P272 F275 W388 D401 R402P272-R404 WeakPolarHBondContact CD-O 3.3Å; F275-R404 HydrophobicContact CD2-CB 4.31Å; F275-R404 HydrophobicContact CE2-CB 4.12Å; W388-R404 HydrophobicContact CH2-CB 4.07Å; W388-R404 HydrophobicContact CZ3-CB 3.74Å; D401-R404 WeakPolarHBondContact O-CG 3.42Å; D401-R404 IonicContact OD1-CZ 3.49Å; D401-R404 IonicContact OD1-NH1 2.81Å; D401-R404 PolarHBondContact OD1-NH1 3.13Å; D401-R404 IonicContact OD1-NH2 3.3Å; R402-R404 VanDerWaalsContact C-N 3.33Å; R402-R404 PolarHBondContact O-N 3.06Å
405N93.9Very high86.3Confident23 Ų2348.6 Ų48.612%0.12322%0.224CC..THydrogen-bonded Turntrans-95.34.6-178.1-65.8-46000113.4L249 Y271 R402 V403 C407 A408 S409L249-N405 HydrophobicContact CD1-CB 4.07Å; L249-N405 HydrophobicContact CD2-CB 4.31Å; Y271-N405 VanDerWaalsContact CE1-OD1 3.26Å; Y271-N405 WeakPolarHBondContact CE1-OD1 3.34Å; R402-N405 WeakPolarHBondContact O-CB 3.41Å; R402-N405 PolarHBondContact O-N 3.08Å; V403-N405 PolarHBondContact O-N 3.03Å; V403-N405 VanDerWaalsContact O-N 3.11Å; N405-C407 PolarHBondContact O-N 2.81Å; N405-A408 PolarHBondContact O-N 2.92Å; N405-S409 VanDerWaalsContact O-CB 3.22Å; N405-S409 WeakPolarHBondContact O-CB 3.32Å; N405-S409 PolarHBondContact O-N 3.33Å; N405-S409 PolarHBondContact O-OG 3.24Å
406Y94.5Very high87.3Confident38 Ų3847.8 Ų47.815%0.14922%0.218CC..Hα-helixtrans-61.7-45.5-177-78.75.5000112.8V365 L391 S395 R402 V403 S410V365-Y406 HydrophobicContact CG2-CD2 4Å; V365-Y406 HydrophobicContact CG2-CE2 3.7Å; L391-Y406 HydrophobicContact CD2-CD2 4.42Å; S395-Y406 WeakPolarHBondContact OG-CE2 3.38Å; R402-Y406 HydrophobicContact CB-CE1 4.45Å; R402-Y406 VanDerWaalsContact O-CD1 3.29Å; R402-Y406 WeakPolarHBondContact O-CD1 3.32Å; V403-Y406 HydrophobicContact CG1-CD2 4.45Å; V403-Y406 HydrophobicContact CG1-CE2 4.41Å; V403-Y406 HydrophobicContact CG2-CE2 4.36Å; V403-Y406 WeakPolarHBondContact O-CB 3.25Å; V403-Y406 PolarHBondContact O-N 2.92Å; V403-Y406 VanDerWaalsContact O-N 3.13Å; Y406-S410 VanDerWaalsContact O-CB 3.29Å; Y406-S410 WeakPolarHBondContact O-CB 3.27Å; Y406-S410 PolarHBondContact O-N 3.31Å; Y406-S410 PolarHBondContact O-OG 3.02Å
407C97.3Very high88.5Confident3 Ų343.5 Ų43.52%0.0220%0.195CC..Hα-helixtrans-62.6-53.2175168.30000111C270 C384 N405 S409 S410 V411C270-C407 VanDerWaalsContact O-CB 3.25Å; C270-C407 WeakPolarHBondContact O-CB 2.97Å; C384-C407 VanDerWaalsContact CA-SG 3.53Å; C384-C407 HydrophobicContact CB-CB 3.89Å; C384-C407 WeakPolarHBondContact CB-SG 3.22Å; C384-C407 VanDerWaalsContact SG-CA 3.56Å; C384-C407 WeakPolarHBondContact SG-CB 3.05Å; C384-C407 CovalentContact SG-SG 2.03Å; C384-C407 PolarHBondContact SG-SG 2.78Å; N405-C407 PolarHBondContact O-N 2.81Å; C407-S409 VanDerWaalsContact C-N 3.35Å; C407-S409 PolarHBondContact O-N 3.36Å; C407-S410 PolarHBondContact O-N 2.6Å; C407-V411 WeakPolarHBondContact O-CG2 3.42Å; C407-V411 PolarHBondContact O-N 3.48Å
408A97.5Very high90.1Very high0 Ų037 Ų370%017%0.169CC..Hα-helixtrans-54.7-47.5178.200000112.7L249 L252 C270 N405 S410 V411 L412L249-A408 HydrophobicContact CD2-CB 3.54Å; L252-A408 HydrophobicContact CD2-CB 4.16Å; C270-A408 HydrophobicContact CB-CB 3.62Å; N405-A408 PolarHBondContact O-N 2.92Å; A408-S410 VanDerWaalsContact C-N 3.35Å; A408-S410 PolarHBondContact O-N 3.28Å; A408-V411 PolarHBondContact O-N 3.3Å; A408-L412 WeakPolarHBondContact O-CB 3.43Å; A408-L412 WeakPolarHBondContact O-CG 3.45Å; A408-L412 PolarHBondContact O-N 2.95Å
409S97.2Very high91.7Very high5 Ų534.9 Ų34.94%0.03516%0.156CC..Hα-helixtrans-66-36.7-179.4-570000112.4Q245 N405 C407 L412 L413Q245-S409 PolarHBondContact NE2-OG 3.02Å; N405-S409 VanDerWaalsContact O-CB 3.22Å; N405-S409 WeakPolarHBondContact O-CB 3.32Å; N405-S409 PolarHBondContact O-N 3.33Å; N405-S409 PolarHBondContact O-OG 3.24Å; C407-S409 VanDerWaalsContact C-N 3.35Å; C407-S409 PolarHBondContact O-N 3.36Å; S409-L412 PolarHBondContact O-N 2.83Å; S409-L413 WeakPolarHBondContact O-CB 3.49Å; S409-L413 PolarHBondContact O-N 2.96Å
410S98.1Very high93.1Very high3 Ų331.7 Ų31.72%0.02114%0.139CC..Hα-helixtrans-70.6-39.3177.6-56.70000111.6Y406 C407 A408 L413 Q414Y406-S410 VanDerWaalsContact O-CB 3.29Å; Y406-S410 WeakPolarHBondContact O-CB 3.27Å; Y406-S410 PolarHBondContact O-N 3.31Å; Y406-S410 PolarHBondContact O-OG 3.02Å; C407-S410 PolarHBondContact O-N 2.6Å; A408-S410 VanDerWaalsContact C-N 3.35Å; A408-S410 PolarHBondContact O-N 3.28Å; S410-L413 WeakPolarHBondContact O-CB 3.4Å; S410-L413 PolarHBondContact O-N 2.73Å; S410-Q414 WeakPolarHBondContact O-CB 3.46Å; S410-Q414 PolarHBondContact O-N 3.35Å
411V98.6Very high94.5Very high0 Ų029 Ų290%013%0.125CC..Hα-helixtrans-66.7-40.4173.5175.90000111.1Y314 C317 L318 V321 T380 C407 A408 Q414 A415Y314-V411 HydrophobicContact CD2-CG2 4.07Å; Y314-V411 HydrophobicContact CE2-CG2 4.01Å; C317-V411 HydrophobicContact CB-CG2 4.5Å; L318-V411 HydrophobicContact CB-CG1 4.18Å; L318-V411 HydrophobicContact CD1-CG1 3.91Å; V321-V411 HydrophobicContact CB-CG1 3.75Å; V321-V411 HydrophobicContact CG1-CG1 3.95Å; V321-V411 HydrophobicContact CG2-CB 4.44Å; V321-V411 HydrophobicContact CG2-CG1 3.75Å; T380-V411 HydrophobicContact CG2-CB 4.37Å; T380-V411 HydrophobicContact CG2-CG2 3.44Å; T380-V411 VanDerWaalsContact CG2-CG2 3.44Å; C407-V411 WeakPolarHBondContact O-CG2 3.42Å; C407-V411 PolarHBondContact O-N 3.48Å; A408-V411 PolarHBondContact O-N 3.3Å; V411-Q414 PolarHBondContact O-N 3Å; V411-A415 WeakPolarHBondContact O-CB 3.3Å; V411-A415 PolarHBondContact O-N 3.39Å
412L98Very high95.8Very high0 Ų026.1 Ų26.10%012%0.12CC..Hα-helixtrans-61.3-44.7173.5-73.3168.5000111.8L248 L249 V321 L324 A408 S409 Q414 A415 L416L248-L412 HydrophobicContact CB-CD1 3.83Å; L248-L412 HydrophobicContact CB-CD2 3.9Å; L248-L412 HydrophobicContact CD1-CD2 4.11Å; L248-L412 HydrophobicContact CD2-CD2 4.21Å; L248-L412 HydrophobicContact CG-CD2 4.29Å; L249-L412 HydrophobicContact CD2-CD1 3.83Å; L249-L412 HydrophobicContact CG-CD1 4.15Å; V321-L412 HydrophobicContact CB-CD2 4.48Å; V321-L412 HydrophobicContact CG1-CD2 3.65Å; V321-L412 HydrophobicContact CG1-CG 4.31Å; V321-L412 HydrophobicContact CG2-CD2 4.06Å; V321-L412 HydrophobicContact CG2-CG 4.31Å; L324-L412 HydrophobicContact CD1-CD2 4.3Å; A408-L412 WeakPolarHBondContact O-CB 3.43Å; A408-L412 WeakPolarHBondContact O-CG 3.45Å; A408-L412 PolarHBondContact O-N 2.95Å; S409-L412 PolarHBondContact O-N 2.83Å; L412-Q414 VanDerWaalsContact C-N 3.35Å; L412-Q414 PolarHBondContact O-N 3.48Å; L412-A415 PolarHBondContact O-N 2.89Å; L412-L416 WeakPolarHBondContact O-CB 3.33Å; L412-L416 PolarHBondContact O-N 3.29Å
413L98.1Very high96.6Very high0 Ų018.4 Ų18.40%09%0.091CC..Hα-helixtrans-57.3-47.9174174.365.3000111.4F355 I358 H359 L376 S409 S410 L417 F433F355-L413 HydrophobicContact CD1-CD1 3.32Å; F355-L413 HydrophobicContact CE1-CD1 3.69Å; I358-L413 HydrophobicContact CB-CD2 4.24Å; I358-L413 HydrophobicContact CG2-CB 4.04Å; I358-L413 HydrophobicContact CG2-CD2 3.69Å; I358-L413 HydrophobicContact CG2-CG 4.45Å; H359-L413 HydrophobicContact CB-CD2 4.43Å; L376-L413 HydrophobicContact CD1-CD2 4.17Å; S409-L413 WeakPolarHBondContact O-CB 3.49Å; S409-L413 PolarHBondContact O-N 2.96Å; S410-L413 WeakPolarHBondContact O-CB 3.4Å; S410-L413 PolarHBondContact O-N 2.73Å; L413-L417 HydrophobicContact CD1-CD1 3.59Å; L413-L417 HydrophobicContact CD1-CG 4.08Å; L413-L417 HydrophobicContact CG-CD1 4.2Å; L413-L417 WeakPolarHBondContact O-CB 3.28Å; L413-L417 WeakPolarHBondContact O-CG 3.38Å; L413-L417 PolarHBondContact O-N 2.85Å; L413-L417 VanDerWaalsContact O-N 3.08Å; L413-F433 HydrophobicContact CD1-CE1 4.34Å
414Q97.8Very high97.1Very high16 Ų1621.5 Ų21.58%0.07511%0.107CC..Hα-helixtrans-61-49.2178.1-175.4-174.4-1600111.8Y314 L376 S410 V411 L412 L418Y314-Q414 PolarHBondContact OH-NE2 2.85Å; Y314-Q414 PolarHBondContact OH-OE1 3.47Å; L376-Q414 HydrophobicContact CD2-CB 4.06Å; L376-Q414 HydrophobicContact CD2-CG 4.23Å; L376-Q414 HydrophobicContact CG-CB 4.23Å; L376-Q414 HydrophobicContact CG-CG 4.33Å; S410-Q414 WeakPolarHBondContact O-CB 3.46Å; S410-Q414 PolarHBondContact O-N 3.35Å; V411-Q414 PolarHBondContact O-N 3Å; L412-Q414 VanDerWaalsContact C-N 3.35Å; L412-Q414 PolarHBondContact O-N 3.48Å; Q414-L418 HydrophobicContact CG-CD1 3.78Å; Q414-L418 VanDerWaalsContact O-CB 3.31Å; Q414-L418 WeakPolarHBondContact O-CB 3.42Å; Q414-L418 WeakPolarHBondContact O-CG 3.36Å; Q414-L418 PolarHBondContact O-N 3.47Å
415A98.3Very high97.5Very high2 Ų224 Ų242%0.01713%0.126CC..Hα-helixtrans-64.3-46.1-179.800000111.9V321 F325 V411 L412 R419 G420V321-A415 HydrophobicContact CG1-CB 3.67Å; F325-A415 HydrophobicContact CD2-CB 4.36Å; F325-A415 HydrophobicContact CE2-CB 3.86Å; F325-A415 HydrophobicContact CZ-CB 4.48Å; V411-A415 WeakPolarHBondContact O-CB 3.3Å; V411-A415 PolarHBondContact O-N 3.39Å; L412-A415 PolarHBondContact O-N 2.89Å; A415-R419 WeakPolarHBondContact O-CA 3.48Å; A415-R419 WeakPolarHBondContact O-CB 3.48Å; A415-R419 PolarHBondContact O-N 3.39Å; A415-G420 PolarHBondContact O-N 3.05Å
416L98.5Very high97.7Very high0 Ų027 Ų270%015%0.148CC..Iπ-helixtrans-62.8-47.6-178.3-179.261.6000112F202 T207 F325 F337 F355 L412 G420 Y421F202-L416 HydrophobicContact CD1-CD2 4.46Å; F202-L416 HydrophobicContact CE1-CD2 4.24Å; F202-L416 HydrophobicContact CE2-CD2 4.39Å; F202-L416 HydrophobicContact CZ-CD2 4.2Å; T207-L416 HydrophobicContact CG2-CD1 4.28Å; T207-L416 HydrophobicContact CG2-CD2 4.06Å; F325-L416 HydrophobicContact CE1-CD1 3.91Å; F325-L416 HydrophobicContact CZ-CB 4.33Å; F325-L416 HydrophobicContact CZ-CD1 4.47Å; F337-L416 HydrophobicContact CE1-CD1 4.06Å; F337-L416 HydrophobicContact CZ-CD1 4.23Å; F355-L416 HydrophobicContact CE1-CD2 3.95Å; F355-L416 HydrophobicContact CZ-CD2 3.67Å; F355-L416 HydrophobicContact CZ-CG 4.43Å; L412-L416 WeakPolarHBondContact O-CB 3.33Å; L412-L416 PolarHBondContact O-N 3.29Å; L416-G420 CarbonylContact O-C 3.53Å; L416-G420 VanDerWaalsContact O-CA 3.27Å; L416-G420 WeakPolarHBondContact O-CA 3.36Å; L416-G420 PolarHBondContact O-N 2.84Å; L416-Y421 HydrophobicContact CD1-CD1 4.42Å; L416-Y421 HydrophobicContact CD1-CE1 3.88Å; L416-Y421 HydrophobicContact CD1-CE2 4.1Å; L416-Y421 HydrophobicContact CD2-CE2 4.31Å; L416-Y421 HydrophobicContact CG-CD2 4.38Å; L416-Y421 HydrophobicContact CG-CE2 3.94Å; L416-Y421 PolarHBondContact O-N 2.83Å
417L98.6Very high97.8Very high0 Ų025.9 Ų25.90%015%0.146CC..Iπ-helixtrans-71.6-48-178.6-68.3178.6000112.3L200 F355 L413 Y421 G422 F423 F428 I431 F433L200-L417 HydrophobicContact CD1-CD2 3.93Å; F355-L417 HydrophobicContact CD1-CD2 4.35Å; F355-L417 HydrophobicContact CE1-CD1 4.44Å; F355-L417 HydrophobicContact CE1-CD2 3.66Å; F355-L417 HydrophobicContact CE1-CG 3.99Å; F355-L417 HydrophobicContact CZ-CD2 4.1Å; L413-L417 HydrophobicContact CD1-CD1 3.59Å; L413-L417 HydrophobicContact CD1-CG 4.08Å; L413-L417 HydrophobicContact CG-CD1 4.2Å; L413-L417 WeakPolarHBondContact O-CB 3.28Å; L413-L417 WeakPolarHBondContact O-CG 3.38Å; L413-L417 PolarHBondContact O-N 2.85Å; L413-L417 VanDerWaalsContact O-N 3.08Å; L417-Y421 HydrophobicContact CD2-CD2 4.1Å; L417-G422 PolarHBondContact O-N 3.18Å; L417-F423 HydrophobicContact CD2-CD2 4.23Å; L417-F423 HydrophobicContact CD2-CE2 4.36Å; L417-F423 WeakPolarHBondContact O-CB 3.46Å; L417-F423 WeakPolarHBondContact O-CD2 3.26Å; L417-F423 PolarHBondContact O-N 3.32Å; L417-F428 HydrophobicContact CD1-CE2 3.9Å; L417-I431 HydrophobicContact CD1-CD1 4.43Å; L417-I431 HydrophobicContact CD2-CD1 4.32Å; L417-F433 HydrophobicContact CD1-CE1 4.14Å; L417-F433 HydrophobicContact CD1-CZ 3.77Å
418L97.9Very high97.9Very high40 Ų4025.9 Ų25.921%0.20915%0.146CC..Iπ-helixtrans-85.4-40.7-169.2-55.5-178.3000113P373 Q414 G422 F423 F428P373-L418 HydrophobicContact CB-CD1 3.93Å; P373-L418 HydrophobicContact CB-CD2 3.9Å; P373-L418 HydrophobicContact CG-CD2 3.88Å; Q414-L418 HydrophobicContact CG-CD1 3.78Å; Q414-L418 VanDerWaalsContact O-CB 3.31Å; Q414-L418 WeakPolarHBondContact O-CB 3.42Å; Q414-L418 WeakPolarHBondContact O-CG 3.36Å; Q414-L418 PolarHBondContact O-N 3.47Å; L418-G422 WeakPolarHBondContact O-CA 3.4Å; L418-F423 VanDerWaalsContact CD2-O 3.3Å; L418-F423 WeakPolarHBondContact CD2-O 3.37Å; L418-F428 HydrophobicContact CD2-CD2 3.72Å; L418-F428 HydrophobicContact CD2-CE2 4.19Å
419R96.1Very high97.9Very high137 Ų13729.1 Ų29.152%0.51717%0.167SC..Iπ-helixtrans-98.7-42.2-178.9-64.3-175.4177.4178.4-2.9112.1S322 H327 A415S322-R419 PolarHBondContact OG-NH1 3.04Å; H327-R419 PolarHBondContact CE1-O 3.43Å; H327-R419 VanDerWaalsContact CE1-O 3.28Å; A415-R419 WeakPolarHBondContact O-CA 3.48Å; A415-R419 WeakPolarHBondContact O-CB 3.48Å; A415-R419 PolarHBondContact O-N 3.39Å
420G97.1Very high97.9Very high1 Ų132.5 Ų32.51%0.0118%0.184CC..Iπ-helixtrans-68.3-62.3-179.500000112.2S336 A415 L416S336-G420 CarbonylContact C-O 3.57Å; S336-G420 VanDerWaalsContact CA-O 3.3Å; S336-G420 WeakPolarHBondContact CA-O 3.2Å; S336-G420 WeakPolarHBondContact CB-O 3.34Å; A415-G420 PolarHBondContact O-N 3.05Å; L416-G420 CarbonylContact O-C 3.53Å; L416-G420 VanDerWaalsContact O-CA 3.27Å; L416-G420 WeakPolarHBondContact O-CA 3.36Å; L416-G420 PolarHBondContact O-N 2.84Å
421Y98.4Very high97.9Very high3 Ų333 Ų331%0.01219%0.187CC..SBendtrans-86.5-14.7-178.2-61.2-24.4000113.9L200 T207 I209 F240 F337 Q342 F355 L416 L417 F423L200-Y421 HydrophobicContact CD2-CD2 4.17Å; L200-Y421 HydrophobicContact CD2-CE2 4.1Å; T207-Y421 VanDerWaalsContact CG2-OH 3.24Å; T207-Y421 WeakPolarHBondContact CG2-OH 3.41Å; T207-Y421 PolarHBondContact OG1-OH 3.26Å; I209-Y421 HydrophobicContact CB-CE1 4.24Å; I209-Y421 HydrophobicContact CB-CE2 4.38Å; I209-Y421 HydrophobicContact CD1-CD1 4.2Å; I209-Y421 HydrophobicContact CD1-CD2 4.23Å; I209-Y421 HydrophobicContact CD1-CG 3.99Å; I209-Y421 HydrophobicContact CG2-CD1 4.31Å; I209-Y421 HydrophobicContact CG2-CE1 3.89Å; F240-Y421 HydrophobicContact CD2-CE1 4.04Å; F240-Y421 AromaticContact CE2-CE1 3.67Å; F240-Y421 HydrophobicContact CE2-CE1 3.67Å; F337-Y421 HydrophobicContact CE1-CD1 4.44Å; F337-Y421 HydrophobicContact CE1-CE1 4.2Å; Q342-Y421 PolarHBondContact NE2-O 3.27Å; F355-Y421 HydrophobicContact CZ-CE2 4.04Å; L416-Y421 HydrophobicContact CD1-CD1 4.42Å; L416-Y421 HydrophobicContact CD1-CE1 3.88Å; L416-Y421 HydrophobicContact CD1-CE2 4.1Å; L416-Y421 HydrophobicContact CD2-CE2 4.31Å; L416-Y421 HydrophobicContact CG-CD2 4.38Å; L416-Y421 HydrophobicContact CG-CE2 3.94Å; L416-Y421 PolarHBondContact O-N 2.83Å; L417-Y421 HydrophobicContact CD2-CD2 4.1Å; Y421-F423 HydrophobicContact CD2-CE2 4.19Å; Y421-F423 HydrophobicContact CG-CE2 4.47Å
422G97.4Very high97.9Very high42 Ų4235 Ų3543%0.43320%0.2SC..  trans75.829175.600000114.3L417 L418L417-G422 PolarHBondContact O-N 3.18Å; L418-G422 WeakPolarHBondContact O-CA 3.4Å
423F98.4Very high97.8Very high5 Ų536.2 Ų36.22%0.02221%0.206CC..  trans-69.4134.9167.9-71.8-83000110.4L200 V345 F349 L417 L418 Y421 F428 I431L200-F423 HydrophobicContact CD1-CE2 3.86Å; L200-F423 HydrophobicContact CD1-CZ 3.98Å; L200-F423 HydrophobicContact CD2-CE2 4.42Å; V345-F423 HydrophobicContact CB-CD1 4.4Å; V345-F423 HydrophobicContact CB-CE1 3.94Å; V345-F423 HydrophobicContact CB-CZ 4.11Å; V345-F423 HydrophobicContact CG1-CE1 4.21Å; V345-F423 HydrophobicContact CG1-CE2 4.14Å; V345-F423 HydrophobicContact CG1-CZ 3.89Å; V345-F423 HydrophobicContact CG2-CD1 3.87Å; V345-F423 HydrophobicContact CG2-CE1 3.91Å; V345-F423 HydrophobicContact CG2-CG 4.35Å; V345-F423 HydrophobicContact CG2-CZ 4.42Å; F349-F423 HydrophobicContact CD1-CZ 4.1Å; F349-F423 AromaticContact CD2-CE1 3.68Å; F349-F423 HydrophobicContact CD2-CE1 3.68Å; F349-F423 AromaticContact CD2-CZ 3.77Å; F349-F423 HydrophobicContact CD2-CZ 3.77Å; F349-F423 HydrophobicContact CE1-CZ 4.22Å; F349-F423 AromaticContact CE2-CE1 3.87Å; F349-F423 HydrophobicContact CE2-CE1 3.87Å; F349-F423 AromaticContact CE2-CZ 3.92Å; F349-F423 HydrophobicContact CE2-CZ 3.92Å; F349-F423 HydrophobicContact CG-CE1 4.19Å; F349-F423 AromaticContact CG-CZ 3.87Å; F349-F423 HydrophobicContact CG-CZ 3.87Å; F349-F423 HydrophobicContact CZ-CZ 4.14Å; L417-F423 HydrophobicContact CD2-CD2 4.23Å; L417-F423 HydrophobicContact CD2-CE2 4.36Å; L417-F423 WeakPolarHBondContact O-CB 3.46Å; L417-F423 WeakPolarHBondContact O-CD2 3.26Å; L417-F423 PolarHBondContact O-N 3.32Å; L418-F423 VanDerWaalsContact CD2-O 3.3Å; L418-F423 WeakPolarHBondContact CD2-O 3.37Å; Y421-F423 HydrophobicContact CD2-CE2 4.19Å; Y421-F423 HydrophobicContact CG-CE2 4.47Å; F423-F428 HydrophobicContact CB-CB 4.42Å; F423-F428 HydrophobicContact CB-CD2 4.48Å; F423-I431 HydrophobicContact CB-CD1 4.31Å; F423-I431 HydrophobicContact CD1-CD1 3.67Å; F423-I431 HydrophobicContact CD1-CG1 3.99Å; F423-I431 HydrophobicContact CD2-CD1 3.93Å; F423-I431 HydrophobicContact CE1-CD1 3.87Å; F423-I431 HydrophobicContact CE1-CG1 3.84Å; F423-I431 HydrophobicContact CE2-CD1 4.12Å; F423-I431 HydrophobicContact CG-CD1 3.71Å; F423-I431 HydrophobicContact CZ-CD1 4.09Å; F423-I431 HydrophobicContact CZ-CG1 4.26Å
424D97.7Very high97.6Very high67 Ų6739.6 Ų39.636%0.35822%0.222SC..  trans-121.4-174.5-176.164.915.9000112.1S426 S427 F428D424-S426 PolarHBondContact O-N 2.79Å; D424-S426 VanDerWaalsContact O-N 3.11Å; D424-S426 WeakPolarHBondContact OD1-CA 3.25Å; D424-S426 WeakPolarHBondContact OD1-CB 3.26Å; D424-S426 PolarHBondContact OD1-N 2.85Å; D424-S426 PolarHBondContact OD1-OG 3.41Å; D424-S426 PolarHBondContact OD2-OG 3.24Å; D424-S427 PolarHBondContact N-OG 3.44Å; D424-S427 PolarHBondContact O-N 3.27Å; D424-S427 PolarHBondContact OD1-N 3.28Å; D424-S427 PolarHBondContact OD1-OG 2.89Å; D424-F428 WeakPolarHBondContact O-CB 3.36Å; D424-F428 PolarHBondContact O-N 3.4Å
425D97.9Very high97.1Very high120 Ų12040.5 Ų40.564%0.64223%0.227SC*.THydrogen-bonded Turntrans-59.1-22.9178.9-71.4-47.9000113.7P373 P429P373-D425 VanDerWaalsContact CD-OD1 3.32Å; P373-D425 WeakPolarHBondContact CD-OD1 3.46Å; P373-D425 WeakPolarHBondContact CG-OD1 3.08Å; D425-P429 WeakPolarHBondContact O-CD 3.29Å; D425-P429 WeakPolarHBondContact O-CG 3.39Å
426S97.4Very high96.5Very high84 Ų8444.1 Ų44.159%0.58725%0.249SC*.THydrogen-bonded Turntrans-87.3-33.6179.974.60000113.2D424D424-S426 PolarHBondContact O-N 2.79Å; D424-S426 VanDerWaalsContact O-N 3.11Å; D424-S426 WeakPolarHBondContact OD1-CA 3.25Å; D424-S426 WeakPolarHBondContact OD1-CB 3.26Å; D424-S426 PolarHBondContact OD1-N 2.85Å; D424-S426 PolarHBondContact OD1-OG 3.41Å; D424-S426 PolarHBondContact OD2-OG 3.24Å
427S97.8Very high95.7Very high15 Ų1544.9 Ų44.911%0.10526%0.255CS..THydrogen-bonded Turntrans-105.4-26.6-171.450.90000113.9D424 P429 D430D424-S427 PolarHBondContact N-OG 3.44Å; D424-S427 PolarHBondContact O-N 3.27Å; D424-S427 PolarHBondContact OD1-N 3.28Å; D424-S427 PolarHBondContact OD1-OG 2.89Å; S427-P429 VanDerWaalsContact C-CD 3.47Å; S427-D430 WeakPolarHBondContact O-CB 3.49Å; S427-D430 PolarHBondContact O-N 3.37Å; S427-D430 VanDerWaalsContact O-N 3.16Å
428F98.4Very high94.7Very high3 Ų348 Ų481%0.01329%0.287CS..G310 helixtrans-59.6-39.6176.2-174.6-83000113.4V370 K371 P373 L376 L417 L418 F423 D424 D430 I431 F433V370-F428 HydrophobicContact CG1-CE1 4.38Å; V370-F428 HydrophobicContact CG1-CZ 4.26Å; K371-F428 WeakPolarHBondContact O-CD1 3.48Å; P373-F428 HydrophobicContact CG-CB 3.89Å; P373-F428 HydrophobicContact CG-CD2 4.44Å; P373-F428 HydrophobicContact CG-CG 4.04Å; L376-F428 HydrophobicContact CB-CZ 4.32Å; L376-F428 HydrophobicContact CD2-CE2 3.81Å; L376-F428 HydrophobicContact CD2-CZ 3.92Å; L417-F428 HydrophobicContact CD1-CE2 3.9Å; L418-F428 HydrophobicContact CD2-CD2 3.72Å; L418-F428 HydrophobicContact CD2-CE2 4.19Å; F423-F428 HydrophobicContact CB-CB 4.42Å; F423-F428 HydrophobicContact CB-CD2 4.48Å; D424-F428 WeakPolarHBondContact O-CB 3.36Å; D424-F428 PolarHBondContact O-N 3.4Å; F428-D430 PolarHBondContact O-N 3.48Å; F428-D430 VanDerWaalsContact O-N 3.15Å; F428-I431 HydrophobicContact CD2-CD1 4Å; F428-I431 HydrophobicContact CE2-CD1 4.43Å; F428-I431 HydrophobicContact CG-CD1 4.43Å; F428-I431 WeakPolarHBondContact O-CB 3.46Å; F428-I431 WeakPolarHBondContact O-CG1 3.47Å; F428-I431 PolarHBondContact O-N 3.11Å; F428-F433 HydrophobicContact CZ-CE2 4.44Å; F428-F433 HydrophobicContact CZ-CZ 4.46Å
429P97.9Very high93.6Very high68 Ų6854 Ų5444%0.44232%0.319SS..G310 helixtrans-61.7-20176.8-2536.7000114.4D425 S427 I431D425-P429 WeakPolarHBondContact O-CD 3.29Å; D425-P429 WeakPolarHBondContact O-CG 3.39Å; S427-P429 VanDerWaalsContact C-CD 3.47Å; P429-I431 VanDerWaalsContact C-N 3.26Å; P429-I431 PolarHBondContact O-N 3.01Å
430D97.5Very high93Very high77 Ų7748.5 Ų48.541%0.41230%0.301SS..G310 helixtrans-84.62.3178.2-66.2-37.3000113.1S348 F349 S427 F428S348-D430 WeakPolarHBondContact CA-O 3.48Å; F349-D430 PolarHBondContact N-O 3.27Å; S427-D430 WeakPolarHBondContact O-CB 3.49Å; S427-D430 PolarHBondContact O-N 3.37Å; S427-D430 VanDerWaalsContact O-N 3.16Å; F428-D430 PolarHBondContact O-N 3.48Å; F428-D430 VanDerWaalsContact O-N 3.15Å
431I98.4Very high92.4Very high14 Ų1449.7 Ų49.77%0.07231%0.31CS..EExtended strand (participates in β ladder)trans-88.4121.5172.1-51173.4000109.7L200 F349 A351 L417 F423 F428 P429 F433L200-I431 HydrophobicContact CD1-CG2 4.35Å; F349-I431 HydrophobicContact CB-CG1 4.41Å; A351-I431 HydrophobicContact CB-CG2 3.72Å; L417-I431 HydrophobicContact CD1-CD1 4.43Å; L417-I431 HydrophobicContact CD2-CD1 4.32Å; F423-I431 HydrophobicContact CB-CD1 4.31Å; F423-I431 HydrophobicContact CD1-CD1 3.67Å; F423-I431 HydrophobicContact CD1-CG1 3.99Å; F423-I431 HydrophobicContact CD2-CD1 3.93Å; F423-I431 HydrophobicContact CE1-CD1 3.87Å; F423-I431 HydrophobicContact CE1-CG1 3.84Å; F423-I431 HydrophobicContact CE2-CD1 4.12Å; F423-I431 HydrophobicContact CG-CD1 3.71Å; F423-I431 HydrophobicContact CZ-CD1 4.09Å; F423-I431 HydrophobicContact CZ-CG1 4.26Å; F428-I431 HydrophobicContact CD2-CD1 4Å; F428-I431 HydrophobicContact CE2-CD1 4.43Å; F428-I431 HydrophobicContact CG-CD1 4.43Å; F428-I431 WeakPolarHBondContact O-CB 3.46Å; F428-I431 WeakPolarHBondContact O-CG1 3.47Å; F428-I431 PolarHBondContact O-N 3.11Å; P429-I431 VanDerWaalsContact C-N 3.26Å; P429-I431 PolarHBondContact O-N 3.01Å; I431-F433 HydrophobicContact CB-CE2 4.14Å; I431-F433 HydrophobicContact CG2-CD2 4.18Å; I431-F433 HydrophobicContact CG2-CE1 4.38Å; I431-F433 HydrophobicContact CG2-CE2 3.71Å; I431-F433 HydrophobicContact CG2-CZ 3.82Å
432S97.3Very high92Very high40 Ų4050.1 Ų50.128%0.2831%0.312SS..EExtended strand (participates in β ladder)trans-101.3121.5170.366.70000110.8F349 M350 A351 Q434F349-S432 PolarHBondContact O-N 3.14Å; F349-S432 PolarHBondContact O-OG 3.48Å; F349-S432 VanDerWaalsContact O-OG 3.1Å; M350-S432 CarbonylContact C-O 3.54Å; M350-S432 WeakPolarHBondContact CA-O 3.41Å; A351-S432 PolarHBondContact N-O 3.44Å; S432-Q434 PolarHBondContact OG-NE2 3.13Å
433F97.4Very high91.7Very high27 Ų2748.9 Ų48.912%0.11830%0.299CS..EExtended strand (participates in β ladder)trans-90.7106.8177.4-65.8-93.8000109.6A351 F355 H359 L413 L417 F428 I431A351-F433 HydrophobicContact CB-CD1 3.85Å; A351-F433 HydrophobicContact CB-CE1 3.97Å; A351-F433 HydrophobicContact CB-CG 4.44Å; A351-F433 WeakPolarHBondContact O-CA 3.37Å; F355-F433 HydrophobicContact CB-CD1 4.07Å; F355-F433 HydrophobicContact CB-CE1 4.18Å; F355-F433 HydrophobicContact CD1-CE1 4.4Å; H359-F433 HydrophobicContact CB-CB 4.22Å; H359-F433 HydrophobicContact CB-CD1 3.63Å; H359-F433 HydrophobicContact CB-CE1 4.11Å; H359-F433 HydrophobicContact CB-CG 3.88Å; H359-F433 AromaticContact CD2-CD2 3.56Å; H359-F433 AromaticContact CD2-CE2 3.64Å; H359-F433 AromaticContact CD2-CG 3.78Å; H359-F433 AromaticContact CD2-CZ 3.92Å; H359-F433 AromaticContact CE1-CD2 3.96Å; H359-F433 AromaticContact CG-CD1 3.86Å; H359-F433 AromaticContact CG-CD2 3.87Å; H359-F433 AromaticContact CG-CG 3.62Å; H359-F433 AromaticContact ND1-CG 3.96Å; H359-F433 AromaticContact NE2-CD2 3.63Å; H359-F433 AromaticContact NE2-CE2 3.88Å; L413-F433 HydrophobicContact CD1-CE1 4.34Å; L417-F433 HydrophobicContact CD1-CE1 4.14Å; L417-F433 HydrophobicContact CD1-CZ 3.77Å; F428-F433 HydrophobicContact CZ-CE2 4.44Å; F428-F433 HydrophobicContact CZ-CZ 4.46Å; I431-F433 HydrophobicContact CB-CE2 4.14Å; I431-F433 HydrophobicContact CG2-CD2 4.18Å; I431-F433 HydrophobicContact CG2-CE1 4.38Å; I431-F433 HydrophobicContact CG2-CE2 3.71Å; I431-F433 HydrophobicContact CG2-CZ 3.82Å
434Q94.2Very high91.6Very high71 Ų7148.8 Ų48.833%0.33230%0.299SS..  trans-145.8149.6-174.4-60.2-175.450.700110.5M350 A351 F352 S432M350-Q434 HydrophobicContact CE-CB 4.37Å; M350-Q434 HydrophobicContact CG-CB 4.38Å; M350-Q434 HydrophobicContact SD-CB 4.33Å; A351-Q434 PolarHBondContact O-N 3.21Å; F352-Q434 WeakPolarHBondContact CA-O 3.33Å; F352-Q434 WeakPolarHBondContact CB-O 3.49Å; S432-Q434 PolarHBondContact OG-NE2 3.13Å
435N86.2Confident91.6Very high35 Ų3545.7 Ų45.719%0.18728%0.283CS..SBendtrans-118.2-8.4174.5-121.19.7000113.8S353 Y356 H357 V442S353-N435 WeakPolarHBondContact CA-OD1 3.17Å; S353-N435 PolarHBondContact N-OD1 3.4Å; Y356-N435 HydrophobicContact CD1-CB 3.55Å; Y356-N435 HydrophobicContact CE1-CB 3.95Å; Y356-N435 HydrophobicContact CG-CB 3.87Å; H357-N435 PolarHBondContact NE2-ND2 3.44Å; N435-V442 PolarHBondContact O-N 3.28Å
436T86.5Confident91.4Very high78 Ų7840.1 Ų40.148%0.47925%0.253SS..EExtended strand (participates in β ladder)trans-138.6151177.359.50000108.8T440T436-T440 VanDerWaalsContact CA-O 3.25Å; T436-T440 WeakPolarHBondContact CA-O 3.45Å
437A81.2Confident91.3Very high16 Ų1636.1 Ų36.113%0.13223%0.225CC..EExtended strand (participates in β ladder)trans-129.6107.4167.200000108L176 T440 V442L176-A437 HydrophobicContact CB-CB 3.64Å; L176-A437 HydrophobicContact CD1-CB 3.95Å; L176-A437 HydrophobicContact CG-CB 4.35Å; A437-T440 PolarHBondContact N-O 3.33Å; A437-V442 HydrophobicContact CB-CG2 4.4Å
438G77.7Confident91.2Very high65 Ų6537.3 Ų37.367%0.6723%0.228SC*.THydrogen-bonded Turntrans66.8-134-160.900000110.7
439D75.1Confident91.1Very high165 Ų16537.2 Ų37.288%0.88223%0.227SC*.THydrogen-bonded Turntrans-94.412.3-179.1-55.7-45.3000113.2
440T82.9Confident90.9Very high22 Ų2234 Ų3414%0.13521%0.206CC..EExtended strand (participates in β ladder)trans-112.8132.9-176.2-570000110.8Q71 L176 T436 A437 L446Q71-T440 HydrophobicContact CB-CG2 3.97Å; L176-T440 HydrophobicContact CD1-CG2 4.09Å; L176-T440 HydrophobicContact CD2-CG2 3.82Å; T436-T440 VanDerWaalsContact CA-O 3.25Å; T436-T440 WeakPolarHBondContact CA-O 3.45Å; A437-T440 PolarHBondContact N-O 3.33Å; T440-L446 HydrophobicContact CG2-CD2 4.04Å
441S83.8Confident90.6Very high27 Ų2731.7 Ų31.719%0.18920%0.195CC..EExtended strand (participates in β ladder)trans-70.5141.4175.746.20000111.2F54 Q71 E74F54-S441 VanDerWaalsContact CE1-OG 3.3Å; F54-S441 WeakPolarHBondContact CE1-OG 3.43Å; Q71-S441 PolarHBondContact OE1-OG 3.32Å; E74-S441 PolarHBondContact OE2-OG 2.74Å
442V90.8Very high90.2Very high11 Ų1131.8 Ų31.87%0.06720%0.195CC..  trans-90.1124.5178.9-1770000108.7T172 V173 L176 M350 F352 N435 A437T172-V442 HydrophobicContact CG2-CG1 4.37Å; V173-V442 HydrophobicContact CG2-CG1 3.82Å; L176-V442 HydrophobicContact CD1-CG2 4.13Å; M350-V442 HydrophobicContact SD-CG1 4.21Å; M350-V442 HydrophobicContact SD-CG2 4.02Å; F352-V442 HydrophobicContact CB-CB 4.23Å; F352-V442 HydrophobicContact CB-CG1 4.03Å; F352-V442 HydrophobicContact CD1-CG1 3.63Å; F352-V442 HydrophobicContact CD2-CB 4.48Å; F352-V442 HydrophobicContact CD2-CG1 3.96Å; F352-V442 HydrophobicContact CE1-CG1 4Å; F352-V442 HydrophobicContact CE2-CG1 4.3Å; F352-V442 HydrophobicContact CG-CB 4.25Å; F352-V442 HydrophobicContact CG-CG1 3.61Å; F352-V442 HydrophobicContact CZ-CG1 4.33Å; N435-V442 PolarHBondContact O-N 3.28Å; A437-V442 HydrophobicContact CB-CG2 4.4Å
443G92.3Very high89.8Confident16 Ų1629.9 Ų29.917%0.16518%0.182CC..SBendtrans-177.6179.5179.500000110.4T172 A445T172-G443 WeakPolarHBondContact CB-O 3.39Å; T172-G443 VanDerWaalsContact CG2-O 3.3Å; T172-G443 WeakPolarHBondContact CG2-O 3.12Å; T172-G443 PolarHBondContact OG1-O 3.42Å; G443-A445 VanDerWaalsContact C-N 3.34Å; G443-A445 PolarHBondContact O-N 2.7Å
444W96.2Very high89.2Confident4 Ų430.9 Ų30.92%0.01519%0.189CC..Hα-helixtrans-75.1-22.2-175.866.1-95.3000113.6V43 D45 G120 T122 L160 E165 Y168 L446 G447 Y448V43-W444 HydrophobicContact CG1-CH2 3.82Å; V43-W444 HydrophobicContact CG1-CZ3 3.84Å; D45-W444 HydrophobicContact CB-CZ2 3.77Å; D45-W444 VanDerWaalsContact CG-CE2 3.49Å; D45-W444 WeakPolarHBondContact OD1-CZ2 2.83Å; D45-W444 PolarHBondContact OD1-NE1 3.08Å; D45-W444 PolarHBondContact OD2-NE1 3.5Å; G120-W444 VanDerWaalsContact O-CZ2 3.32Å; G120-W444 WeakPolarHBondContact O-CZ2 3.13Å; T122-W444 HydrophobicContact CG2-CZ2 4.26Å; L160-W444 HydrophobicContact CD1-CH2 4.25Å; L160-W444 HydrophobicContact CD1-CZ3 4.4Å; L160-W444 HydrophobicContact CD2-CD2 3.77Å; L160-W444 HydrophobicContact CD2-CE3 3.49Å; L160-W444 VanDerWaalsContact CD2-CE3 3.49Å; L160-W444 HydrophobicContact CD2-CH2 3.98Å; L160-W444 HydrophobicContact CD2-CZ2 4.15Å; L160-W444 HydrophobicContact CD2-CZ3 3.63Å; E165-W444 HydrophobicContact CG-CB 4.42Å; E165-W444 HydrophobicContact CG-CG 4.14Å; E165-W444 WeakPolarHBondContact O-CB 3.27Å; Y168-W444 WeakPolarHBondContact CB-O 3.42Å; W444-L446 PolarHBondContact O-N 2.76Å; W444-G447 PolarHBondContact O-N 3.41Å; W444-Y448 HydrophobicContact CE3-CG 4.47Å; W444-Y448 HydrophobicContact CZ3-CD2 4.47Å; W444-Y448 HydrophobicContact CZ3-CG 4.09Å; W444-Y448 PolarHBondContact O-N 3.41Å
445A95.8Very high88.7Confident2 Ų234.2 Ų34.22%0.01721%0.208CC..Hα-helixtrans-58-44-172.100000114.4V43 F54 Y56 G443 Y448 M449V43-A445 HydrophobicContact CB-CB 4.16Å; V43-A445 HydrophobicContact CG1-CB 3.78Å; F54-A445 HydrophobicContact CD2-CB 3.71Å; F54-A445 HydrophobicContact CE2-CB 4.03Å; F54-A445 HydrophobicContact CG-CB 4.42Å; Y56-A445 HydrophobicContact CE2-CB 4.45Å; G443-A445 VanDerWaalsContact C-N 3.34Å; G443-A445 PolarHBondContact O-N 2.7Å; A445-Y448 PolarHBondContact O-N 2.58Å; A445-M449 PolarHBondContact O-N 3.33Å
446L95.1Very high88.4Confident3 Ų334.8 Ų34.82%0.01621%0.211CC..Hα-helixtrans-66.3-43.4177.8175.359.5000111.5Y56 V69 T172 Y175 L176 T440 W444 Y448 M449 L450Y56-L446 HydrophobicContact CD1-CD1 3.76Å; Y56-L446 HydrophobicContact CE1-CB 3.96Å; Y56-L446 HydrophobicContact CE1-CD1 3.62Å; Y56-L446 HydrophobicContact CE1-CG 4.3Å; Y56-L446 HydrophobicContact CG-CD1 4.48Å; Y56-L446 PolarHBondContact OH-N 2.77Å; V69-L446 HydrophobicContact CB-CD1 3.98Å; V69-L446 HydrophobicContact CG1-CD1 3.55Å; T172-L446 HydrophobicContact CG2-CB 4.09Å; T172-L446 HydrophobicContact CG2-CD2 4.17Å; Y175-L446 HydrophobicContact CD1-CD2 3.8Å; Y175-L446 HydrophobicContact CD1-CG 4.4Å; Y175-L446 HydrophobicContact CE1-CD2 4.2Å; L176-L446 HydrophobicContact CD1-CD2 4.34Å; L176-L446 HydrophobicContact CD2-CD2 3.73Å; L176-L446 HydrophobicContact CG-CD2 4.01Å; T440-L446 HydrophobicContact CG2-CD2 4.04Å; W444-L446 PolarHBondContact O-N 2.76Å; L446-Y448 VanDerWaalsContact C-N 3.33Å; L446-Y448 PolarHBondContact O-N 3.16Å; L446-M449 PolarHBondContact O-N 2.85Å; L446-M449 VanDerWaalsContact O-N 3.17Å; L446-L450 HydrophobicContact CD1-CD1 4.28Å; L446-L450 HydrophobicContact CD1-CG 4.32Å; L446-L450 HydrophobicContact CG-CD1 4.03Å; L446-L450 WeakPolarHBondContact O-CG 3.41Å; L446-L450 PolarHBondContact O-N 3.42Å
447G95.9Very high88Confident0 Ų035.5 Ų35.50%022%0.217CC..Hα-helixtrans-62.1-40.2177.300000112.5Y168 T172 W444 L450 V451Y168-G447 WeakPolarHBondContact O-CA 3.11Å; T172-G447 WeakPolarHBondContact OG1-CA 3Å; T172-G447 PolarHBondContact OG1-N 2.95Å; W444-G447 PolarHBondContact O-N 3.41Å; G447-L450 PolarHBondContact O-N 2.96Å; G447-V451 WeakPolarHBondContact O-CG2 3.33Å; G447-V451 PolarHBondContact O-N 3.29Å
448Y95.6Very high87.8Confident40 Ų4037.7 Ų37.716%0.15724%0.235CC..Hα-helixtrans-59.1-49.1171-179.9-91.7000110.9V43 Y118 Y168 W444 A445 L446 L450 V451 L452V43-Y448 HydrophobicContact CG2-CD1 4.16Å; Y118-Y448 AromaticContact CD1-CE1 3.9Å; Y118-Y448 HydrophobicContact CD1-CE1 3.9Å; Y118-Y448 AromaticContact CD1-CZ 3.89Å; Y118-Y448 WeakPolarHBondContact CD1-OH 3.47Å; Y118-Y448 HydrophobicContact CD2-CE1 4.03Å; Y118-Y448 HydrophobicContact CE1-CE1 4.42Å; Y118-Y448 VanDerWaalsContact CE1-OH 3.32Å; Y118-Y448 WeakPolarHBondContact CE1-OH 3.44Å; Y118-Y448 AromaticContact CG-CE1 3.67Å; Y118-Y448 HydrophobicContact CG-CE1 3.67Å; Y168-Y448 AromaticContact CD2-CD2 3.9Å; Y168-Y448 HydrophobicContact CD2-CD2 3.9Å; Y168-Y448 AromaticContact CE2-CD2 3.49Å; Y168-Y448 HydrophobicContact CE2-CD2 3.49Å; Y168-Y448 VanDerWaalsContact CE2-CD2 3.49Å; Y168-Y448 HydrophobicContact CE2-CE2 4.24Å; Y168-Y448 HydrophobicContact CE2-CG 4.46Å; Y168-Y448 AromaticContact CZ-CD2 3.86Å; W444-Y448 HydrophobicContact CE3-CG 4.47Å; W444-Y448 HydrophobicContact CZ3-CD2 4.47Å; W444-Y448 HydrophobicContact CZ3-CG 4.09Å; W444-Y448 PolarHBondContact O-N 3.41Å; A445-Y448 PolarHBondContact O-N 2.58Å; L446-Y448 VanDerWaalsContact C-N 3.33Å; L446-Y448 PolarHBondContact O-N 3.16Å; Y448-L450 VanDerWaalsContact C-N 3.31Å; Y448-L450 PolarHBondContact O-N 3.39Å; Y448-V451 PolarHBondContact O-N 3Å; Y448-L452 HydrophobicContact CE1-CD2 4.41Å; Y448-L452 VanDerWaalsContact O-CB 3.28Å; Y448-L452 WeakPolarHBondContact O-CB 3.37Å; Y448-L452 PolarHBondContact O-N 3.43Å
449M95.1Very high87.8Confident0 Ų039.1 Ų39.10%022%0.224CC..Hα-helixtrans-61.9-36.7178.4-17655.560.500112.5V43 Y56 W58 V69 A445 L446 L452 S453V43-M449 HydrophobicContact CG2-CB 4.24Å; V43-M449 HydrophobicContact CG2-CE 3.45Å; V43-M449 VanDerWaalsContact CG2-CE 3.45Å; Y56-M449 HydrophobicContact CD2-CB 3.78Å; Y56-M449 HydrophobicContact CD2-CE 4.31Å; Y56-M449 HydrophobicContact CD2-CG 3.75Å; Y56-M449 HydrophobicContact CE2-CB 4.15Å; Y56-M449 HydrophobicContact CG-CB 4.37Å; Y56-M449 HydrophobicContact CG-CG 4.03Å; W58-M449 HydrophobicContact CH2-SD 3.72Å; W58-M449 HydrophobicContact CZ3-CG 4.09Å; W58-M449 HydrophobicContact CZ3-SD 3.71Å; V69-M449 HydrophobicContact CG1-CG 4.17Å; A445-M449 PolarHBondContact O-N 3.33Å; L446-M449 PolarHBondContact O-N 2.85Å; L446-M449 VanDerWaalsContact O-N 3.17Å; M449-L452 HydrophobicContact CE-CD2 4.22Å; M449-L452 HydrophobicContact SD-CD2 4.06Å; M449-S453 VanDerWaalsContact O-CB 3.29Å; M449-S453 WeakPolarHBondContact O-CB 3.49Å; M449-S453 PolarHBondContact O-N 3.43Å
450L93.4Very high87.3Confident0 Ų036.7 Ų36.70%022%0.22CC..Hα-helixtrans-65-47.2175.3-77.6162.6000112T66 G67 V69 V171 Y175 Y229 L446 G447 Y448 S453 N454T66-L450 HydrophobicContact CG2-CD2 4.4Å; G67-L450 WeakPolarHBondContact O-CD2 3.34Å; V69-L450 HydrophobicContact CB-CD2 3.81Å; V69-L450 HydrophobicContact CB-CG 4.28Å; V69-L450 HydrophobicContact CG2-CD2 3.59Å; V69-L450 HydrophobicContact CG2-CG 4.19Å; V171-L450 HydrophobicContact CG1-CB 4.16Å; V171-L450 HydrophobicContact CG1-CD1 3.91Å; Y175-L450 HydrophobicContact CD1-CD1 3.71Å; Y175-L450 HydrophobicContact CD2-CD1 3.76Å; Y175-L450 HydrophobicContact CD2-CD2 3.99Å; Y175-L450 HydrophobicContact CE1-CD1 4.32Å; Y175-L450 HydrophobicContact CE2-CD1 4.39Å; Y175-L450 HydrophobicContact CE2-CD2 3.91Å; Y175-L450 HydrophobicContact CG-CD1 3.38Å; Y175-L450 HydrophobicContact CG-CD2 4.38Å; Y229-L450 VanDerWaalsContact OH-CD2 3.3Å; Y229-L450 WeakPolarHBondContact OH-CD2 3.43Å; L446-L450 HydrophobicContact CD1-CD1 4.28Å; L446-L450 HydrophobicContact CD1-CG 4.32Å; L446-L450 HydrophobicContact CG-CD1 4.03Å; L446-L450 WeakPolarHBondContact O-CG 3.41Å; L446-L450 PolarHBondContact O-N 3.42Å; G447-L450 PolarHBondContact O-N 2.96Å; Y448-L450 VanDerWaalsContact C-N 3.31Å; Y448-L450 PolarHBondContact O-N 3.39Å; L450-S453 WeakPolarHBondContact O-CB 3.46Å; L450-S453 PolarHBondContact O-N 3.31Å; L450-S453 PolarHBondContact O-OG 2.92Å; L450-N454 PolarHBondContact O-N 3.46Å
451V92.8Very high86.5Confident30 Ų3036.4 Ų36.418%0.18222%0.22CC..Hα-helixtrans-63.5-44.6176.9171.90000110.4Y168 V171 L226 L228 G447 Y448 S453 N454Y168-V451 HydrophobicContact CD1-CB 4.43Å; Y168-V451 HydrophobicContact CD1-CG2 4Å; Y168-V451 HydrophobicContact CE1-CB 3.95Å; Y168-V451 HydrophobicContact CE1-CG1 4.07Å; Y168-V451 HydrophobicContact CE1-CG2 3.83Å; V171-V451 HydrophobicContact CG2-CG2 4.48Å; L226-V451 HydrophobicContact CD2-CG2 4.48Å; L228-V451 HydrophobicContact CD2-CG2 4.06Å; G447-V451 WeakPolarHBondContact O-CG2 3.33Å; G447-V451 PolarHBondContact O-N 3.29Å; Y448-V451 PolarHBondContact O-N 3Å; V451-S453 VanDerWaalsContact C-N 3.27Å; V451-S453 PolarHBondContact O-N 3.5Å; V451-N454 VanDerWaalsContact O-CB 3.28Å; V451-N454 WeakPolarHBondContact O-CB 3.45Å; V451-N454 PolarHBondContact O-N 3.35Å; V451-N454 VanDerWaalsContact O-N 3.1Å
452L89.7Confident85.7Confident15 Ų1537.1 Ų37.18%0.07923%0.232CC..Hα-helixtrans-61-38174.6-179.875.1000111.9Y118 Y448 M449 N454 L455 L456Y118-L452 HydrophobicContact CD2-CD2 3.79Å; Y118-L452 HydrophobicContact CE1-CD1 4.23Å; Y118-L452 HydrophobicContact CE1-CD2 4.45Å; Y118-L452 HydrophobicContact CE2-CD1 4.17Å; Y118-L452 HydrophobicContact CE2-CD2 3.05Å; Y118-L452 HydrophobicContact CE2-CG 4.2Å; Y118-L452 VanDerWaalsContact CZ-CD2 3.45Å; Y118-L452 VanDerWaalsContact OH-CD1 3.25Å; Y118-L452 WeakPolarHBondContact OH-CD1 3.27Å; Y448-L452 HydrophobicContact CE1-CD2 4.41Å; Y448-L452 VanDerWaalsContact O-CB 3.28Å; Y448-L452 WeakPolarHBondContact O-CB 3.37Å; Y448-L452 PolarHBondContact O-N 3.43Å; M449-L452 HydrophobicContact CE-CD2 4.22Å; M449-L452 HydrophobicContact SD-CD2 4.06Å; L452-N454 PolarHBondContact O-N 3.26Å; L452-N454 VanDerWaalsContact O-N 3.08Å; L452-L455 HydrophobicContact CD1-CD1 4.39Å; L452-L455 WeakPolarHBondContact O-CB 3.38Å; L452-L455 PolarHBondContact O-N 3.36Å; L452-L456 PolarHBondContact O-N 2.98Å
453S88.4Confident84.8Confident0 Ų040.8 Ų40.80%025%0.254CS..Hα-helixtrans-58.2-25.8178.483.90000111.4K62 G67 M449 L450 V451 L455K62-S453 WeakPolarHBondContact CE-O 3.11Å; K62-S453 PolarHBondContact NZ-O 2.92Å; G67-S453 PolarHBondContact N-OG 3.05Å; M449-S453 VanDerWaalsContact O-CB 3.29Å; M449-S453 WeakPolarHBondContact O-CB 3.49Å; M449-S453 PolarHBondContact O-N 3.43Å; L450-S453 WeakPolarHBondContact O-CB 3.46Å; L450-S453 PolarHBondContact O-N 3.31Å; L450-S453 PolarHBondContact O-OG 2.92Å; V451-S453 VanDerWaalsContact C-N 3.27Å; V451-S453 PolarHBondContact O-N 3.5Å; S453-L455 VanDerWaalsContact C-N 3.28Å; S453-L455 PolarHBondContact O-N 2.76Å
454N85.6Confident84Confident48 Ų4847.4 Ų47.426%0.25727%0.274SS..Hα-helixtrans-63.4-32.6172.5-72.4-17.5000113.7G65 T66 R227 L450 V451 L452G65-N454 WeakPolarHBondContact O-CA 3.46Å; G65-N454 PolarHBondContact O-OD1 3.38Å; T66-N454 WeakPolarHBondContact CA-OD1 3.14Å; T66-N454 WeakPolarHBondContact CB-OD1 3.32Å; T66-N454 VanDerWaalsContact CG2-OD1 3.31Å; T66-N454 WeakPolarHBondContact CG2-OD1 3.38Å; T66-N454 PolarHBondContact N-OD1 3.16Å; T66-N454 PolarHBondContact OG1-OD1 3.49Å; R227-N454 PolarHBondContact O-ND2 2.89Å; L450-N454 PolarHBondContact O-N 3.46Å; V451-N454 VanDerWaalsContact O-CB 3.28Å; V451-N454 WeakPolarHBondContact O-CB 3.45Å; V451-N454 PolarHBondContact O-N 3.35Å; V451-N454 VanDerWaalsContact O-N 3.1Å; L452-N454 PolarHBondContact O-N 3.26Å; L452-N454 VanDerWaalsContact O-N 3.08Å
455L83Confident83.1Confident142 Ų14254 Ų5474%0.74330%0.303SS*.Hα-helixtrans-82.2-20.4-174-56.9180000112.7L452 S453L452-L455 HydrophobicContact CD1-CD1 4.39Å; L452-L455 WeakPolarHBondContact O-CB 3.38Å; L452-L455 PolarHBondContact O-N 3.36Å; S453-L455 VanDerWaalsContact C-N 3.28Å; S453-L455 PolarHBondContact O-N 2.76Å
456L79.9Confident82.3Confident46 Ų4656.2 Ų56.224%0.24132%0.316CS..SBendtrans-73.2155.6177.6-62.3174.7000110.6W58 K62 L452W58-L456 HydrophobicContact CH2-CD1 4.24Å; W58-L456 HydrophobicContact CZ2-CD1 3.7Å; K62-L456 PolarHBondContact NZ-O 3.48Å; L452-L456 PolarHBondContact O-N 2.98Å
457P77.1Confident81.7Confident94 Ų9459.4 Ų59.461%0.6133%0.333SS*.PPolyproline II helixtrans-73.613917027.6-31.9000110.6K39K39-P457 PolarHBondContact NZ-O 3.06Å
458A78.7Confident80.9Confident62 Ų6261 Ų6151%0.51234%0.342SS..PPolyproline II helixtrans-71.2139.2165.400000109.1K62K62-A458 HydrophobicContact CB-CB 4.34Å; K62-A458 HydrophobicContact CD-CB 4.07Å; K62-A458 HydrophobicContact CG-CB 3.97Å
459E76.4Confident80.1Confident95 Ų9564.9 Ų64.944%0.44437%0.37SS..PPolyproline II helixtrans-96.7133171-75.9165.5-153.600108.9K39 A60K39-E459 WeakPolarHBondContact CE-OE1 3.28Å; K39-E459 IonicContact NZ-OE1 3.5Å; K39-E459 PolarHBondContact NZ-OE1 3.37Å; A60-E459 HydrophobicContact CB-CB 3.96Å; A60-E459 PolarHBondContact O-N 3.38Å
460S63.9Low79.4Confident114 Ų11467.2 Ų67.280%0.79739%0.394SS*.PPolyproline II helixtrans-69.9132.8171.555.10000109.3G462S460-G462 PolarHBondContact O-N 3.1Å
461A66.4Low78.8Confident15 Ų1567.8 Ų67.812%0.12440%0.399CS..PPolyproline II helixtrans-52.7138.716800000110.6Q33 D34Q33-A461 HydrophobicContact CB-CB 3.94Å; Q33-A461 HydrophobicContact CG-CB 4.25Å; D34-A461 VanDerWaalsContact O-CB 3.24Å; D34-A461 WeakPolarHBondContact O-CB 3.41Å
462G67.1Low78.3Confident43 Ų4373.7 Ų73.744%0.44342%0.418SS..PPolyproline II helixtrans-58.2149.4170.500000110.3D34 S460D34-G462 PolarHBondContact N-O 2.71Å; S460-G462 PolarHBondContact O-N 3.1Å
463V72.4Confident77.9Confident87 Ų8774.5 Ų74.553%0.52743%0.43SS..EExtended strand (participates in β ladder)trans-108126.7-179.8179.10000109.1D31D31-V463 HydrophobicContact CB-CG1 3.45Å; D31-V463 VanDerWaalsContact CB-CG1 3.45Å
464R75.6Confident77.6Confident156 Ų15678.5 Ų78.559%0.58945%0.454SS*.EExtended strand (participates in β ladder)trans-107.1136.9167.3-68.6-171.9-161.8-168.97.5110.6V32 D34 T466V32-R464 PolarHBondContact N-O 3.28Å; V32-R464 PolarHBondContact O-N 3.06Å; D34-R464 VanDerWaalsContact CG-NE 3.29Å; D34-R464 VanDerWaalsContact OD1-CD 3.25Å; D34-R464 WeakPolarHBondContact OD1-CD 3.35Å; D34-R464 WeakPolarHBondContact OD1-CG 3.46Å; D34-R464 IonicContact OD1-CZ 3.84Å; D34-R464 IonicContact OD1-NE 3.27Å; D34-R464 PolarHBondContact OD1-NE 3.35Å; D34-R464 IonicContact OD1-NH2 2.96Å; D34-R464 IonicContact OD2-CZ 3.24Å; D34-R464 IonicContact OD2-NE 2.83Å; D34-R464 PolarHBondContact OD2-NE 2.87Å; D34-R464 IonicContact OD2-NH2 2.66Å; D34-R464 PolarHBondContact OD2-NH2 2.85Å; R464-T466 PolarHBondContact O-N 3.23Å
465K78Confident77.4Confident143 Ų14378.5 Ų78.562%0.62245%0.454SS*.EExtended strand (participates in β ladder)trans-71.6119.6166.1-69.9-87176.6-153.50108.2D31D31-K465 VanDerWaalsContact OD1-CD 3.24Å; D31-K465 WeakPolarHBondContact OD1-CD 3.27Å; D31-K465 WeakPolarHBondContact OD1-CE 3.46Å; D31-K465 IonicContact OD1-NZ 2.75Å; D31-K465 PolarHBondContact OD1-NZ 2.95Å; D31-K465 IonicContact OD2-NZ 3.54Å
466T78.3Confident77.3Confident47 Ų4775.5 Ų75.529%0.28844%0.438SS..EExtended strand (participates in β ladder)trans-119.7154.1172.374.90000109.9S29 Q30 V32 R464S29-T466 CarbonylContact C-O 3.49Å; S29-T466 VanDerWaalsContact CA-O 3.22Å; S29-T466 WeakPolarHBondContact CA-O 3.29Å; S29-T466 WeakPolarHBondContact CB-O 3.42Å; Q30-T466 WeakPolarHBondContact CG-OG1 3.22Å; Q30-T466 PolarHBondContact N-O 3.47Å; Q30-T466 PolarHBondContact O-N 3.27Å; Q30-T466 PolarHBondContact O-OG1 2.83Å; V32-T466 HydrophobicContact CB-CG2 3.83Å; V32-T466 HydrophobicContact CG2-CG2 3.65Å; V32-T466 WeakPolarHBondContact CG2-OG1 3.4Å; R464-T466 PolarHBondContact O-N 3.23Å
467L81.6Confident77.5Confident71 Ų7179.8 Ų79.837%0.37246%0.455SS..EExtended strand (participates in β ladder)trans-70.8140.6169.7-75.997000109.9I27 A471 W472 L475I27-L467 HydrophobicContact CD1-CD2 4.37Å; I27-L467 HydrophobicContact CG2-CD2 3.38Å; I27-L467 HydrophobicContact CG2-CG 3.75Å; L467-A471 HydrophobicContact CD2-CB 4.3Å; L467-W472 HydrophobicContact CB-CB 4.26Å; L467-L475 HydrophobicContact CD2-CD1 3.19Å
468T80.9Confident77.8Confident33 Ų3378.3 Ų78.320%0.20244%0.442CS..  trans-60.2149167.6580000110.3P28 Q30 G470 A471 W472P28-T468 HydrophobicContact CB-CG2 4.36Å; P28-T468 PolarHBondContact O-N 3.41Å; P28-T468 PolarHBondContact O-OG1 3.31Å; Q30-T468 HydrophobicContact CB-CG2 4.16Å; Q30-T468 HydrophobicContact CG-CG2 4.17Å; T468-G470 PolarHBondContact O-N 3.07Å; T468-A471 PolarHBondContact O-N 2.76Å; T468-A471 VanDerWaalsContact OG1-CB 3.28Å; T468-A471 WeakPolarHBondContact OG1-CB 3.47Å; T468-A471 PolarHBondContact OG1-N 2.88Å; T468-W472 PolarHBondContact O-N 3.45Å
469V78.7Confident77.8Confident121 Ų12181.7 Ų81.773%0.73345%0.445SS*.Hα-helixtrans-54.7-39.3-179.3179.50000111.4G473V469-G473 PolarHBondContact O-N 2.77Å
470G79.6Confident78.2Confident50 Ų5081.2 Ų81.252%0.51545%0.445SS..Hα-helixtrans-62.7-47.9174.900000113T468 G473 V474T468-G470 PolarHBondContact O-N 3.07Å; G470-G473 PolarHBondContact O-N 3.25Å; G470-V474 WeakPolarHBondContact O-CG2 3.41Å; G470-V474 PolarHBondContact O-N 3.11Å
471A81.2Confident79Confident11 Ų1178.4 Ų78.49%0.09142%0.422CS..Hα-helixtrans-66.5-39.8179.300000112.8I27 P28 L467 T468 G473 V474 L475I27-A471 HydrophobicContact CG2-CB 4.03Å; P28-A471 HydrophobicContact CG-CB 3.97Å; L467-A471 HydrophobicContact CD2-CB 4.3Å; T468-A471 PolarHBondContact O-N 2.76Å; T468-A471 VanDerWaalsContact OG1-CB 3.28Å; T468-A471 WeakPolarHBondContact OG1-CB 3.47Å; T468-A471 PolarHBondContact OG1-N 2.88Å; A471-G473 VanDerWaalsContact C-N 3.35Å; A471-V474 PolarHBondContact O-N 3.26Å; A471-L475 WeakPolarHBondContact O-CG 3.42Å; A471-L475 PolarHBondContact O-N 3.11Å
472W81.3Confident79.6Confident154 Ų15482.8 Ų82.858%0.58344%0.444SS*.Hα-helixtrans-60.8-44.9174-175.284.7000111.4L467 T468 V474 L475 L476L467-W472 HydrophobicContact CB-CB 4.26Å; T468-W472 PolarHBondContact O-N 3.45Å; W472-V474 PolarHBondContact O-N 3.29Å; W472-L475 PolarHBondContact O-N 3.5Å; W472-L476 HydrophobicContact CH2-CD1 4.06Å; W472-L476 HydrophobicContact CH2-CD2 4.39Å; W472-L476 HydrophobicContact CZ2-CD1 3.96Å; W472-L476 HydrophobicContact CZ3-CD2 4.46Å; W472-L476 WeakPolarHBondContact O-CB 3.45Å; W472-L476 PolarHBondContact O-N 3.37Å
473G81.5Confident80.1Confident32 Ų3284.9 Ų84.933%0.3344%0.444SS..Hα-helixtrans-61-42.617600000113.3V469 G470 A471 L476 F477V469-G473 PolarHBondContact O-N 2.77Å; G470-G473 PolarHBondContact O-N 3.25Å; A471-G473 VanDerWaalsContact C-N 3.35Å; G473-L476 PolarHBondContact O-N 2.91Å; G473-F477 WeakPolarHBondContact O-CB 3.19Å; G473-F477 PolarHBondContact O-N 3.09Å
474V81.9Confident80.5Confident84 Ų8485.1 Ų85.151%0.50945%0.446SS..Hα-helixtrans-64-43.7176.8170.50000111.6G470 A471 W472 F477 L478G470-V474 WeakPolarHBondContact O-CG2 3.41Å; G470-V474 PolarHBondContact O-N 3.11Å; A471-V474 PolarHBondContact O-N 3.26Å; W472-V474 PolarHBondContact O-N 3.29Å; V474-F477 PolarHBondContact O-N 3.15Å; V474-L478 HydrophobicContact CG1-CD1 3.95Å; V474-L478 HydrophobicContact CG1-CG 4.42Å; V474-L478 WeakPolarHBondContact O-CB 3.39Å; V474-L478 WeakPolarHBondContact O-CG 3.42Å; V474-L478 PolarHBondContact O-N 2.9Å
475L81.1Confident80.7Confident48 Ų4881.7 Ų81.725%0.25144%0.438SS..Hα-helixtrans-66-40.7178.1-70.9165.1000112.2L23 I27 L467 A471 W472 F477 L478 F479L23-L475 HydrophobicContact CD2-CD2 3.94Å; I27-L475 HydrophobicContact CD1-CD1 3.5Å; I27-L475 VanDerWaalsContact CD1-CD1 3.5Å; I27-L475 HydrophobicContact CD1-CD2 3.95Å; I27-L475 HydrophobicContact CD1-CG 4.24Å; I27-L475 HydrophobicContact CG1-CD1 4.02Å; I27-L475 HydrophobicContact CG1-CD2 4.46Å; L467-L475 HydrophobicContact CD2-CD1 3.19Å; A471-L475 WeakPolarHBondContact O-CG 3.42Å; A471-L475 PolarHBondContact O-N 3.11Å; W472-L475 PolarHBondContact O-N 3.5Å; L475-F477 VanDerWaalsContact C-N 3.33Å; L475-L478 PolarHBondContact O-N 3.38Å; L475-F479 VanDerWaalsContact O-CB 3.3Å; L475-F479 WeakPolarHBondContact O-CB 3.25Å; L475-F479 PolarHBondContact O-N 3.37Å
476L82.1Confident80.6Confident79 Ų7978.4 Ų78.441%0.41443%0.432SS..Hα-helixtrans-60.9-44.9175-16497.4000110.7W472 G473 F479 I480W472-L476 HydrophobicContact CH2-CD1 4.06Å; W472-L476 HydrophobicContact CH2-CD2 4.39Å; W472-L476 HydrophobicContact CZ2-CD1 3.96Å; W472-L476 HydrophobicContact CZ3-CD2 4.46Å; W472-L476 WeakPolarHBondContact O-CB 3.45Å; W472-L476 PolarHBondContact O-N 3.37Å; G473-L476 PolarHBondContact O-N 2.91Å; L476-F479 PolarHBondContact O-N 3.37Å; L476-I480 HydrophobicContact CD2-CD1 4.23Å; L476-I480 HydrophobicContact CG-CD1 4.3Å; L476-I480 VanDerWaalsContact O-CG1 3.27Å; L476-I480 WeakPolarHBondContact O-CG1 3.23Å; L476-I480 PolarHBondContact O-N 3.3Å
477F83.8Confident80.6Confident136 Ų13679.5 Ų79.560%0.59644%0.439SS*.Hα-helixtrans-61.3-48.6176.4178-98.8000112G473 V474 L475 F479 I480 V481G473-F477 WeakPolarHBondContact O-CB 3.19Å; G473-F477 PolarHBondContact O-N 3.09Å; V474-F477 PolarHBondContact O-N 3.15Å; L475-F477 VanDerWaalsContact C-N 3.33Å; F477-F479 VanDerWaalsContact C-N 3.32Å; F477-F479 PolarHBondContact O-N 3.4Å; F477-I480 PolarHBondContact O-N 3.07Å; F477-V481 HydrophobicContact CD1-CG2 4.23Å; F477-V481 HydrophobicContact CE1-CG2 3.8Å; F477-V481 HydrophobicContact CE2-CG2 4.19Å; F477-V481 HydrophobicContact CZ-CG2 3.77Å; F477-V481 WeakPolarHBondContact O-CG2 3.38Å; F477-V481 PolarHBondContact O-N 3.07Å
478L82.5Confident80.5Confident63 Ų6381.3 Ų81.333%0.3344%0.444SS..Hα-helixtrans-60.3-41.1177.2-73.9171.3000112L23 V474 L475 V481 L482L23-L478 HydrophobicContact CD2-CD1 4.12Å; V474-L478 HydrophobicContact CG1-CD1 3.95Å; V474-L478 HydrophobicContact CG1-CG 4.42Å; V474-L478 WeakPolarHBondContact O-CB 3.39Å; V474-L478 WeakPolarHBondContact O-CG 3.42Å; V474-L478 PolarHBondContact O-N 2.9Å; L475-L478 PolarHBondContact O-N 3.38Å; L478-V481 PolarHBondContact O-N 3.15Å; L478-L482 WeakPolarHBondContact O-CB 3.27Å; L478-L482 WeakPolarHBondContact O-CG 3.43Å; L478-L482 PolarHBondContact O-N 2.96Å
479F80.3Confident80.3Confident133 Ų13384.6 Ų84.658%0.58346%0.459SS*.Hα-helixtrans-61.2-44176-179.6-104.6000111.9L475 L476 F477 L482 L483L475-F479 VanDerWaalsContact O-CB 3.3Å; L475-F479 WeakPolarHBondContact O-CB 3.25Å; L475-F479 PolarHBondContact O-N 3.37Å; L476-F479 PolarHBondContact O-N 3.37Å; F477-F479 VanDerWaalsContact C-N 3.32Å; F477-F479 PolarHBondContact O-N 3.4Å; F479-L482 PolarHBondContact O-N 3.11Å; F479-L483 HydrophobicContact CD1-CD1 3.81Å; F479-L483 HydrophobicContact CE1-CD1 3.29Å; F479-L483 HydrophobicContact CE1-CG 4.35Å; F479-L483 HydrophobicContact CE2-CD1 4.38Å; F479-L483 HydrophobicContact CZ-CD1 3.62Å; F479-L483 HydrophobicContact CZ-CG 4.33Å; F479-L483 WeakPolarHBondContact O-CB 3.44Å; F479-L483 PolarHBondContact O-N 2.92Å
480I83.2Confident80.1Confident86 Ų8684.2 Ų84.244%0.44145%0.453SS..Hα-helixtrans-63.2-46.6176.1-67.9164.7000110.7L476 F477 L482 L483 V484L476-I480 HydrophobicContact CD2-CD1 4.23Å; L476-I480 HydrophobicContact CG-CD1 4.3Å; L476-I480 VanDerWaalsContact O-CG1 3.27Å; L476-I480 WeakPolarHBondContact O-CG1 3.23Å; L476-I480 PolarHBondContact O-N 3.3Å; F477-I480 PolarHBondContact O-N 3.07Å; I480-L482 PolarHBondContact O-N 3.26Å; I480-L483 WeakPolarHBondContact O-CB 3.31Å; I480-L483 PolarHBondContact O-N 2.93Å; I480-V484 HydrophobicContact CG2-CG2 4.49Å; I480-V484 WeakPolarHBondContact O-CG2 3.4Å; I480-V484 PolarHBondContact O-N 3.41Å
481V80.9Confident79.9Confident54 Ų5488.8 Ų88.833%0.32746%0.459SS..Hα-helixtrans-60-45.5178.4170.30000111.2F477 L478 L483 V484 I485F477-V481 HydrophobicContact CD1-CG2 4.23Å; F477-V481 HydrophobicContact CE1-CG2 3.8Å; F477-V481 HydrophobicContact CE2-CG2 4.19Å; F477-V481 HydrophobicContact CZ-CG2 3.77Å; F477-V481 WeakPolarHBondContact O-CG2 3.38Å; F477-V481 PolarHBondContact O-N 3.07Å; L478-V481 PolarHBondContact O-N 3.15Å; V481-L483 PolarHBondContact O-N 3.3Å; V481-V484 PolarHBondContact O-N 3.37Å; V481-I485 HydrophobicContact CG1-CD1 3.8Å; V481-I485 HydrophobicContact CG1-CG1 4.5Å; V481-I485 VanDerWaalsContact O-CG1 3.29Å; V481-I485 WeakPolarHBondContact O-CG1 3.48Å; V481-I485 PolarHBondContact O-N 3.48Å
482L79.6Confident79.7Confident108 Ų10895.8 Ų95.857%0.56548%0.483SS*.Hα-helixtrans-62.8-41.1177.1-75.8168000112.3L478 F479 I480 I485 C486L478-L482 WeakPolarHBondContact O-CB 3.27Å; L478-L482 WeakPolarHBondContact O-CG 3.43Å; L478-L482 PolarHBondContact O-N 2.96Å; F479-L482 PolarHBondContact O-N 3.11Å; I480-L482 PolarHBondContact O-N 3.26Å; L482-I485 PolarHBondContact O-N 3.38Å; L482-C486 WeakPolarHBondContact O-CB 3.43Å; L482-C486 PolarHBondContact O-N 3.48Å
483L76.8Confident79.3Confident86 Ų8691 Ų9145%0.4548%0.476SS..Hα-helixtrans-60.2-46.3174.1-93.5168.2000111.8F479 I480 V481 I485 C486 V487F479-L483 HydrophobicContact CD1-CD1 3.81Å; F479-L483 HydrophobicContact CE1-CD1 3.29Å; F479-L483 HydrophobicContact CE1-CG 4.35Å; F479-L483 HydrophobicContact CE2-CD1 4.38Å; F479-L483 HydrophobicContact CZ-CD1 3.62Å; F479-L483 HydrophobicContact CZ-CG 4.33Å; F479-L483 WeakPolarHBondContact O-CB 3.44Å; F479-L483 PolarHBondContact O-N 2.92Å; I480-L483 WeakPolarHBondContact O-CB 3.31Å; I480-L483 PolarHBondContact O-N 2.93Å; V481-L483 PolarHBondContact O-N 3.3Å; L483-I485 VanDerWaalsContact C-N 3.35Å; L483-I485 PolarHBondContact O-N 3.13Å; L483-C486 PolarHBondContact O-N 3.18Å; L483-V487 VanDerWaalsContact O-CG2 3.31Å; L483-V487 WeakPolarHBondContact O-CG2 3.48Å; L483-V487 PolarHBondContact O-N 3.22Å
484V82.3Confident78.7Confident93 Ų9398.7 Ų98.756%0.56450%0.495SS*.Hα-helixtrans-61.3-44.1177.7171.90000110.9I480 V481 V487 F488I480-V484 HydrophobicContact CG2-CG2 4.49Å; I480-V484 WeakPolarHBondContact O-CG2 3.4Å; I480-V484 PolarHBondContact O-N 3.41Å; V481-V484 PolarHBondContact O-N 3.37Å; V484-V487 PolarHBondContact O-N 3.28Å; V484-F488 WeakPolarHBondContact O-CB 3.3Å; V484-F488 PolarHBondContact O-N 3.27Å
485I79.7Confident77.9Confident84 Ų8497.9 Ų97.943%0.43149%0.493SS..Hα-helixtrans-61.8-45.6176-67.9167000110.6V481 L482 L483 V487 F488 L489V481-I485 HydrophobicContact CG1-CD1 3.8Å; V481-I485 HydrophobicContact CG1-CG1 4.5Å; V481-I485 VanDerWaalsContact O-CG1 3.29Å; V481-I485 WeakPolarHBondContact O-CG1 3.48Å; V481-I485 PolarHBondContact O-N 3.48Å; L482-I485 PolarHBondContact O-N 3.38Å; L483-I485 VanDerWaalsContact C-N 3.35Å; L483-I485 PolarHBondContact O-N 3.13Å; I485-V487 PolarHBondContact O-N 3.25Å; I485-F488 PolarHBondContact O-N 2.96Å; I485-L489 HydrophobicContact CG2-CD1 3.88Å; I485-L489 HydrophobicContact CG2-CG 4.28Å; I485-L489 WeakPolarHBondContact O-CB 3.38Å; I485-L489 VanDerWaalsContact O-CG 3.28Å; I485-L489 WeakPolarHBondContact O-CG 3.27Å; I485-L489 PolarHBondContact O-N 3.31Å
486C75.9Confident76.9Confident73 Ų73103.7 Ų103.749%0.49352%0.517SS..Hα-helixtrans-59.8-46.4176.7-95.80000112.2L482 L483 F488 L489 L490L482-C486 WeakPolarHBondContact O-CB 3.43Å; L482-C486 PolarHBondContact O-N 3.48Å; L483-C486 PolarHBondContact O-N 3.18Å; C486-F488 VanDerWaalsContact C-N 3.34Å; C486-F488 PolarHBondContact O-N 3.3Å; C486-L489 PolarHBondContact O-N 2.9Å; C486-L490 WeakPolarHBondContact O-CB 3.4Å; C486-L490 VanDerWaalsContact O-CG 3.31Å; C486-L490 WeakPolarHBondContact O-CG 3.41Å; C486-L490 PolarHBondContact O-N 3.17Å
487V78.4Confident75.7Confident71 Ų71110.1 Ų110.143%0.4354%0.535SS..Hα-helixtrans-60.5-45.3176.2170.90000110.4L483 V484 I485 L489 L490 F491L483-V487 VanDerWaalsContact O-CG2 3.31Å; L483-V487 WeakPolarHBondContact O-CG2 3.48Å; L483-V487 PolarHBondContact O-N 3.22Å; V484-V487 PolarHBondContact O-N 3.28Å; I485-V487 PolarHBondContact O-N 3.25Å; V487-L489 PolarHBondContact O-N 3.33Å; V487-L490 PolarHBondContact O-N 3.48Å; V487-F491 HydrophobicContact CG1-CD2 3.71Å; V487-F491 HydrophobicContact CG1-CE2 3.83Å; V487-F491 WeakPolarHBondContact O-CD2 3.47Å; V487-F491 PolarHBondContact O-N 2.86Å
488F79.3Confident74.2Confident109 Ų109111.9 Ų111.948%0.47854%0.543SS..Hα-helixtrans-61.3-43.4177.2-179.6-100000112.8V484 I485 C486 F491 R492V484-F488 WeakPolarHBondContact O-CB 3.3Å; V484-F488 PolarHBondContact O-N 3.27Å; I485-F488 PolarHBondContact O-N 2.96Å; C486-F488 VanDerWaalsContact C-N 3.34Å; C486-F488 PolarHBondContact O-N 3.3Å; F488-F491 PolarHBondContact O-N 2.89Å; F488-R492 HydrophobicContact CE1-CG 4.23Å; F488-R492 HydrophobicContact CZ-CG 4.3Å; F488-R492 VanDerWaalsContact CZ-NE 3.32Å; F488-R492 PolarHBondContact O-N 2.97Å
489L76.6Confident72.7Confident101 Ų101117.1 Ų117.153%0.52956%0.563SS.*Hα-helixtrans-65.5-40176.3-70.1174.7000111.8I485 C486 V487 R492 A493I485-L489 HydrophobicContact CG2-CD1 3.88Å; I485-L489 HydrophobicContact CG2-CG 4.28Å; I485-L489 WeakPolarHBondContact O-CB 3.38Å; I485-L489 VanDerWaalsContact O-CG 3.28Å; I485-L489 WeakPolarHBondContact O-CG 3.27Å; I485-L489 PolarHBondContact O-N 3.31Å; C486-L489 PolarHBondContact O-N 2.9Å; V487-L489 PolarHBondContact O-N 3.33Å; L489-R492 PolarHBondContact O-N 2.71Å; L489-A493 WeakPolarHBondContact O-CB 3.34Å; L489-A493 PolarHBondContact O-N 3.35Å
490L74.5Confident71.3Confident114 Ų114113.7 Ų113.760%0.59757%0.565SS**Hα-helixtrans-64-41.3173.7-74.8171.2000112C486 V487 A493 R494C486-L490 WeakPolarHBondContact O-CB 3.4Å; C486-L490 VanDerWaalsContact O-CG 3.31Å; C486-L490 WeakPolarHBondContact O-CG 3.41Å; C486-L490 PolarHBondContact O-N 3.17Å; V487-L490 PolarHBondContact O-N 3.48Å; L490-A493 PolarHBondContact O-N 3.07Å; L490-R494 WeakPolarHBondContact O-CB 3.37Å; L490-R494 PolarHBondContact O-N 2.77Å
491F75.9Confident69.5Low146 Ų146112.4 Ų112.464%0.6457%0.573SS**Hα-helixtrans-62-44173.2-96.3-78.4000111.6V487 F488 R494 S495V487-F491 HydrophobicContact CG1-CD2 3.71Å; V487-F491 HydrophobicContact CG1-CE2 3.83Å; V487-F491 WeakPolarHBondContact O-CD2 3.47Å; V487-F491 PolarHBondContact O-N 2.86Å; F488-F491 PolarHBondContact O-N 2.89Å; F491-R494 PolarHBondContact O-N 2.83Å; F491-S495 VanDerWaalsContact O-CB 3.28Å; F491-S495 WeakPolarHBondContact O-CB 3.46Å; F491-S495 PolarHBondContact O-N 3.49Å
492R76.4Confident68Low157 Ų157117.2 Ų117.259%0.59260%0.597SS**Hα-helixtrans-65.8-38.5175.1-81.8-163.1164.7-179-0.6112.9F488 L489 S495 K496F488-R492 HydrophobicContact CE1-CG 4.23Å; F488-R492 HydrophobicContact CZ-CG 4.3Å; F488-R492 VanDerWaalsContact CZ-NE 3.32Å; F488-R492 PolarHBondContact O-N 2.97Å; L489-R492 PolarHBondContact O-N 2.71Å; R492-S495 PolarHBondContact O-N 3.24Å; R492-K496 WeakPolarHBondContact O-CB 3.42Å; R492-K496 PolarHBondContact O-N 2.92Å
493A72.4Confident66.4Low54 Ų54120.3 Ų120.345%0.44661%0.609SS.*Hα-helixtrans-66.6-40.817600000111.7L489 L490 K496 R497L489-A493 WeakPolarHBondContact O-CB 3.34Å; L489-A493 PolarHBondContact O-N 3.35Å; L490-A493 PolarHBondContact O-N 3.07Å; A493-K496 PolarHBondContact O-N 3.14Å; A493-R497 PolarHBondContact O-N 3.26Å
494R69.1Low64.9Low193 Ų193123.8 Ų123.873%0.72863%0.628SS**Hα-helixtrans-65.5-41.2172.1-80.6-175.6167.5162.1-2.3112.4L490 F491 R497 K498L490-R494 WeakPolarHBondContact O-CB 3.37Å; L490-R494 PolarHBondContact O-N 2.77Å; F491-R494 PolarHBondContact O-N 2.83Å; R494-R497 PolarHBondContact O-N 3.31Å; R494-K498 PolarHBondContact O-N 3.39Å
495S64.3Low63.2Low68 Ų68126.2 Ų126.248%0.47664%0.642SS.*Hα-helixtrans-63.7-41175.4175.70000112.2F491 R492 K498 K499F491-S495 VanDerWaalsContact O-CB 3.28Å; F491-S495 WeakPolarHBondContact O-CB 3.46Å; F491-S495 PolarHBondContact O-N 3.49Å; R492-S495 PolarHBondContact O-N 3.24Å; S495-K498 PolarHBondContact O-N 3.25Å; S495-K499 PolarHBondContact O-N 3.18Å
496K61.4Low61.3Low169 Ų169133.7 Ų133.774%0.73568%0.681SS**Hα-helixtrans-67.1-38.8173.1-79.3-172.5174.6-173.20112.9R492 A493 K498 K499 G500R492-K496 WeakPolarHBondContact O-CB 3.42Å; R492-K496 PolarHBondContact O-N 2.92Å; A493-K496 PolarHBondContact O-N 3.14Å; K496-K498 VanDerWaalsContact C-N 3.33Å; K496-K499 PolarHBondContact O-N 2.88Å; K496-G500 PolarHBondContact O-N 3.27Å
497R55.9Low60.6Low215 Ų215136.8 Ų136.881%0.81169%0.69SS**Hα-helixtrans-63.5-36.1171.8-92.4-175.4174.6172-0.9112.6A493 R494 G500 G501A493-R497 PolarHBondContact O-N 3.26Å; R494-R497 PolarHBondContact O-N 3.31Å; R497-G500 PolarHBondContact O-N 3.29Å; R497-G501 PolarHBondContact O-N 3.33Å
498K52.9Low59.7Low173 Ų173140.2 Ų140.275%0.75270%0.704SS**Hα-helixtrans-67.4-39.8173.9-120.4-177.5177.6-173.40112.1R494 S495 K496 G500 G501R494-K498 PolarHBondContact O-N 3.39Å; S495-K498 PolarHBondContact O-N 3.25Å; K496-K498 VanDerWaalsContact C-N 3.33Å; K498-G500 VanDerWaalsContact C-N 3.33Å; K498-G500 PolarHBondContact O-N 2.74Å; K498-G501 PolarHBondContact O-N 2.82Å
499K50.8Low58.6Low172 Ų172141.9 Ų141.975%0.74872%0.717SS**Hα-helixtrans-71-21.7175.5-83.1-170.3172.4-171.80114.8S495 K496S495-K499 PolarHBondContact O-N 3.18Å; K496-K499 PolarHBondContact O-N 2.88Å
500G50.8Low57.5Low62 Ų62144.4 Ų144.464%0.63973%0.728SS**THydrogen-bonded Turntrans-91.11.3174.600000114.7K496 R497 K498K496-G500 PolarHBondContact O-N 3.27Å; R497-G500 PolarHBondContact O-N 3.29Å; K498-G500 VanDerWaalsContact C-N 3.33Å; K498-G500 PolarHBondContact O-N 2.74Å
501G46.6Very low56.4Low59 Ų59146.3 Ų146.361%0.60874%0.736SS**SBendtrans-99.5-11.5-17900000115.2R497 K498R497-G501 PolarHBondContact O-N 3.33Å; K498-G501 PolarHBondContact O-N 2.82Å
502D47.6Very low55.1Low155 Ų155146.3 Ų146.383%0.82974%0.742SS**SBendtrans-100.414.3-176.6-86.4-15.5000113.7
503E47.7Very low53.6Low172 Ų172145.5 Ų145.580%0.80475%0.753SS**SBendtrans-118.629.8-174.6-132.9174.3-156.100114.1
504N45.2Very low52.2Low160 Ų160152.5 Ų152.586%0.85678%0.776SS**  trans-14866.5167.3-84.4-34.9000111.5
505V46.9Very low50.8Low143 Ų143149.2 Ų149.287%0.86778%0.78SS**  trans-142.989.2152-176.90000107.9
506I39.3Very low49.6Very low242 Ų242156.5 Ų156.5100%1.24181%0.808SS**  trans-139.60135.9-61.2-172.4000106.1

Retrieved 506 of 506 residues in 688.9 ms (Link to these results)

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