A0A096NWP8_PAPAN Loading...

Ectonucleoside triphosphate diphosphohydrolase 2

AlphaFold DB , UniProt , Accession A0A096NWP8, Species PAPAN (Papio anubis, Olive baboon), Gene ENTPD2, Length 495 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
1M49.9Very low66.9Low219 Ų219102.5 Ų102.5100%1.07956%0.564SS**  0-270-70.5-178-159.200114.2G3M1-G3 PolarHBondContact O-N 3.43Å
2A52Low68.6Low76 Ų76102.1 Ų102.163%0.62856%0.559SS**Hα-helixtrans-63.7-28.1-176.700000116.1R6A2-R6 PolarHBondContact O-N 3.31Å
3G56.8Low70.1Confident58 Ų58102.6 Ų102.660%0.59856%0.56SS**Hα-helixtrans-73-35.8-179.500000115.1M1 R6 S7M1-G3 PolarHBondContact O-N 3.43Å; G3-R6 PolarHBondContact O-N 3.28Å; G3-S7 PolarHBondContact O-N 3.25Å
4K57.8Low71.6Confident166 Ų16699.9 Ų99.972%0.72254%0.544SS*.Hα-helixtrans-71.1-32.8177.9-77.7-175176.6-178.10112.4S7K4-S7 PolarHBondContact O-OG 3.47Å
5V58.4Low72.8Confident99 Ų9994.9 Ų94.960%0.652%0.521SS*.Hα-helixtrans-70.5-35.7177178.80000111.1S7 L8 L9V5-S7 PolarHBondContact O-N 3.5Å; V5-L8 PolarHBondContact O-N 3.48Å; V5-L9 PolarHBondContact O-N 3.46Å
6R62.5Low73.8Confident203 Ų20392.4 Ų92.477%0.76652%0.518SS*.Hα-helixtrans-67.9-30176.6-78.2-177.1175.2174.4-1.2113.8A2 G3 P10A2-R6 PolarHBondContact O-N 3.31Å; G3-R6 PolarHBondContact O-N 3.28Å; R6-P10 WeakPolarHBondContact O-CD 3.44Å
7S70.3Confident74.8Confident55 Ų5590.4 Ų90.439%0.38552%0.515SS..Hα-helixtrans-77.9-25.4179.380.10000113.6G3 K4 V5 P10 Q485G3-S7 PolarHBondContact O-N 3.25Å; K4-S7 PolarHBondContact O-OG 3.47Å; V5-S7 PolarHBondContact O-N 3.5Å; S7-P10 WeakPolarHBondContact O-CD 3.49Å; S7-Q485 PolarHBondContact O-NE2 2.83Å; S7-Q485 PolarHBondContact O-OE1 2.82Å
8L76.8Confident75.7Confident73 Ų7385.4 Ų85.438%0.38249%0.487SS..Hα-helixtrans-82.7-19.1178.6-75.7159.7000113V5 P11 L12 L482V5-L8 PolarHBondContact O-N 3.48Å; L8-P11 VanDerWaalsContact O-CD 3.25Å; L8-P11 WeakPolarHBondContact O-CD 3.32Å; L8-P11 WeakPolarHBondContact O-CG 3.46Å; L8-L12 HydrophobicContact CB-CD1 4.19Å; L8-L12 WeakPolarHBondContact O-CB 3.38Å; L8-L12 WeakPolarHBondContact O-CD1 3.47Å; L8-L12 VanDerWaalsContact O-CG 3.25Å; L8-L12 WeakPolarHBondContact O-CG 3.32Å; L8-L12 PolarHBondContact O-N 3.43Å; L8-L482 HydrophobicContact CD2-CD2 3.98Å
9L80.9Confident76.5Confident97 Ų9786.1 Ų86.151%0.50849%0.488SS..Hα-helixtrans-62.6-46.5-176.2-161.479.5000113.3V5 L12 L13V5-L9 PolarHBondContact O-N 3.46Å; L9-L12 PolarHBondContact O-N 2.94Å; L9-L13 HydrophobicContact CD2-CD1 4.34Å; L9-L13 HydrophobicContact CG-CD1 4.01Å; L9-L13 HydrophobicContact CG-CG 4.44Å; L9-L13 WeakPolarHBondContact O-CB 3.47Å; L9-L13 VanDerWaalsContact O-CG 3.32Å; L9-L13 WeakPolarHBondContact O-CG 3.3Å; L9-L13 PolarHBondContact O-N 3.42Å
10P85Confident77.2Confident79 Ų7984.1 Ų84.151%0.51348%0.483SS..Hα-helixtrans-61.4-48.5-179.8-20.632.1000114.9R6 S7 L12 L13 L14R6-P10 WeakPolarHBondContact O-CD 3.44Å; S7-P10 WeakPolarHBondContact O-CD 3.49Å; P10-L12 VanDerWaalsContact C-N 3.33Å; P10-L12 PolarHBondContact O-N 3.36Å; P10-L13 PolarHBondContact O-N 3.44Å; P10-L14 WeakPolarHBondContact O-CB 3.34Å; P10-L14 PolarHBondContact O-N 3.45Å
11P85.8Confident77.7Confident3 Ų380.3 Ų80.32%0.01946%0.463CS..Hα-helixtrans-69.3-30.6178.726.6-33.8000112.7L8 L14 A15 A478 L481 L482L8-P11 VanDerWaalsContact O-CD 3.25Å; L8-P11 WeakPolarHBondContact O-CD 3.32Å; L8-P11 WeakPolarHBondContact O-CG 3.46Å; P11-L14 PolarHBondContact O-N 3.49Å; P11-A15 WeakPolarHBondContact O-CB 3.25Å; P11-A15 PolarHBondContact O-N 3.17Å; P11-A478 WeakPolarHBondContact O-CB 3.35Å; P11-L481 HydrophobicContact CB-CB 4Å; P11-L482 HydrophobicContact CB-CD2 4.01Å; P11-L482 HydrophobicContact CB-CG 3.92Å; P11-L482 HydrophobicContact CG-CD2 3.82Å; P11-L482 HydrophobicContact CG-CG 4.27Å
12L87Confident79.6Confident97 Ų9772.1 Ų72.151%0.50842%0.423SS..Hα-helixtrans-67.2-41.7173.7-76168.4000112.1L8 L9 P10 A15 A16L8-L12 HydrophobicContact CB-CD1 4.19Å; L8-L12 WeakPolarHBondContact O-CB 3.38Å; L8-L12 WeakPolarHBondContact O-CD1 3.47Å; L8-L12 VanDerWaalsContact O-CG 3.25Å; L8-L12 WeakPolarHBondContact O-CG 3.32Å; L8-L12 PolarHBondContact O-N 3.43Å; L9-L12 PolarHBondContact O-N 2.94Å; P10-L12 VanDerWaalsContact C-N 3.33Å; P10-L12 PolarHBondContact O-N 3.36Å; L12-A15 PolarHBondContact O-N 2.8Å; L12-A16 VanDerWaalsContact O-CB 3.32Å; L12-A16 WeakPolarHBondContact O-CB 3.25Å; L12-A16 PolarHBondContact O-N 2.94Å
13L88.5Confident81.3Confident109 Ų10973.8 Ų73.857%0.57142%0.421SS*.Hα-helixtrans-65-40.1174.7-73.6171000111.6L9 P10 A16 A17L9-L13 HydrophobicContact CD2-CD1 4.34Å; L9-L13 HydrophobicContact CG-CD1 4.01Å; L9-L13 HydrophobicContact CG-CG 4.44Å; L9-L13 WeakPolarHBondContact O-CB 3.47Å; L9-L13 VanDerWaalsContact O-CG 3.32Å; L9-L13 WeakPolarHBondContact O-CG 3.3Å; L9-L13 PolarHBondContact O-N 3.42Å; P10-L13 PolarHBondContact O-N 3.44Å; L13-A16 PolarHBondContact O-N 3.38Å; L13-A17 VanDerWaalsContact O-CB 3.31Å; L13-A17 WeakPolarHBondContact O-CB 3.36Å; L13-A17 PolarHBondContact O-N 3.46Å
14L90.4Very high82.7Confident64 Ų6477.1 Ų77.134%0.33542%0.424SS..Hα-helixtrans-65.6-41.5176.6-167.670000111.7P10 P11 A17 G18 A474 A477 A478P10-L14 WeakPolarHBondContact O-CB 3.34Å; P10-L14 PolarHBondContact O-N 3.45Å; P11-L14 PolarHBondContact O-N 3.49Å; L14-A17 PolarHBondContact O-N 3.4Å; L14-G18 PolarHBondContact O-N 3.24Å; L14-A474 HydrophobicContact CD1-CB 4.24Å; L14-A474 HydrophobicContact CG-CB 4.32Å; L14-A477 HydrophobicContact CD2-CB 4.1Å; L14-A478 HydrophobicContact CB-CB 4.2Å; L14-A478 HydrophobicContact CD2-CB 4.16Å; L14-A478 HydrophobicContact CG-CB 4.32Å
15A89.7Confident84Confident25 Ų2570.6 Ų70.621%0.20740%0.397CS..Hα-helixtrans-64.3-44174.100000111.9P11 L12 G18 L19 L475 A478P11-A15 WeakPolarHBondContact O-CB 3.25Å; P11-A15 PolarHBondContact O-N 3.17Å; L12-A15 PolarHBondContact O-N 2.8Å; A15-G18 PolarHBondContact O-N 2.88Å; A15-L19 VanDerWaalsContact O-CB 3.27Å; A15-L19 WeakPolarHBondContact O-CB 3.42Å; A15-L19 PolarHBondContact O-N 3.42Å; A15-L475 HydrophobicContact CB-CD2 4.34Å; A15-A478 HydrophobicContact CB-CB 3.86Å
16A89.8Confident85.1Confident56 Ų5670.7 Ų70.746%0.46340%0.401SS..Hα-helixtrans-63.1-42.9177.300000111.8L12 L13 A20L12-A16 VanDerWaalsContact O-CB 3.32Å; L12-A16 WeakPolarHBondContact O-CB 3.25Å; L12-A16 PolarHBondContact O-N 2.94Å; L13-A16 PolarHBondContact O-N 3.38Å; A16-A20 WeakPolarHBondContact O-CB 3.35Å; A16-A20 PolarHBondContact O-N 2.95Å
17A89.8Confident86Confident57 Ų5764.9 Ų64.947%0.47139%0.388SS..Hα-helixtrans-65.9-43.5176.700000112.3L13 L14 G21L13-A17 VanDerWaalsContact O-CB 3.31Å; L13-A17 WeakPolarHBondContact O-CB 3.36Å; L13-A17 PolarHBondContact O-N 3.46Å; L14-A17 PolarHBondContact O-N 3.4Å; A17-G21 PolarHBondContact O-N 3.33Å
18G90.7Very high86Confident1 Ų168 Ų681%0.0141%0.407CS..Hα-helixtrans-63.8-42.5175.700000112.6L14 A15 G21 L22L14-G18 PolarHBondContact O-N 3.24Å; A15-G18 PolarHBondContact O-N 2.88Å; G18-G21 PolarHBondContact O-N 3.07Å; G18-L22 PolarHBondContact O-N 3Å
19L91.2Very high85.6Confident98 Ų9868.7 Ų68.751%0.51341%0.414SS..Hα-helixtrans-67-45.3177.1-164.179.4000111.7A15 G21 L22 L23A15-L19 VanDerWaalsContact O-CB 3.27Å; A15-L19 WeakPolarHBondContact O-CB 3.42Å; A15-L19 PolarHBondContact O-N 3.42Å; L19-G21 VanDerWaalsContact C-N 3.33Å; L19-G21 PolarHBondContact O-N 3.47Å; L19-L22 PolarHBondContact O-N 3.24Å; L19-L23 HydrophobicContact CG-CD1 4.27Å; L19-L23 WeakPolarHBondContact O-CB 3.41Å; L19-L23 VanDerWaalsContact O-CG 3.29Å; L19-L23 WeakPolarHBondContact O-CG 3.19Å; L19-L23 PolarHBondContact O-N 2.98Å
20A90.4Very high84.9Confident46 Ų4675.2 Ų75.238%0.3843%0.432SS..Hα-helixtrans-61.8-41.3175.900000111.5A16 L23 L24A16-A20 WeakPolarHBondContact O-CB 3.35Å; A16-A20 PolarHBondContact O-N 2.95Å; A20-L23 PolarHBondContact O-N 3.41Å; A20-L24 WeakPolarHBondContact O-CB 3.45Å; A20-L24 VanDerWaalsContact O-CG 3.25Å; A20-L24 WeakPolarHBondContact O-CG 3.35Å; A20-L24 PolarHBondContact O-N 3.32Å
21G88.8Confident84.2Confident6 Ų675.2 Ų75.26%0.06243%0.428CS..Hα-helixtrans-61.3-46.1175.400000113A17 G18 L19 L24 L25A17-G21 PolarHBondContact O-N 3.33Å; G18-G21 PolarHBondContact O-N 3.07Å; L19-G21 VanDerWaalsContact C-N 3.33Å; L19-G21 PolarHBondContact O-N 3.47Å; G21-L24 PolarHBondContact O-N 3.48Å; G21-L25 WeakPolarHBondContact O-CG 3.31Å; G21-L25 PolarHBondContact O-N 2.92Å
22L89.4Confident83.4Confident46 Ų4680.6 Ų80.624%0.24146%0.455CS..Hα-helixtrans-64.5-42.3174.9-76.4176.3000112.4G18 L19 L24 L25 C26 L468 F471 L475G18-L22 PolarHBondContact O-N 3Å; L19-L22 PolarHBondContact O-N 3.24Å; L22-L24 VanDerWaalsContact C-N 3.3Å; L22-L24 PolarHBondContact O-N 2.88Å; L22-L25 PolarHBondContact O-N 3.29Å; L22-C26 PolarHBondContact O-N 2.88Å; L22-C26 VanDerWaalsContact O-N 3.12Å; L22-C26 PolarHBondContact O-SG 3.47Å; L22-C26 VanDerWaalsContact O-SG 3.33Å; L22-L468 HydrophobicContact CD2-CG 4.31Å; L22-F471 HydrophobicContact CD2-CB 4.12Å; L22-F471 HydrophobicContact CG-CB 3.87Å; L22-L475 HydrophobicContact CD1-CD1 3.4Å; L22-L475 HydrophobicContact CG-CD1 4.46Å
23L88.3Confident82.4Confident112 Ų11284.3 Ų84.359%0.58646%0.463SS*.Hα-helixtrans-61.6-40.8176.4-74.5169.7000111.4L19 A20 C26 V27L19-L23 HydrophobicContact CG-CD1 4.27Å; L19-L23 WeakPolarHBondContact O-CB 3.41Å; L19-L23 VanDerWaalsContact O-CG 3.29Å; L19-L23 WeakPolarHBondContact O-CG 3.19Å; L19-L23 PolarHBondContact O-N 2.98Å; A20-L23 PolarHBondContact O-N 3.41Å; L23-C26 PolarHBondContact O-N 3.49Å; L23-V27 PolarHBondContact O-N 2.87Å
24L85.8Confident81.5Confident127 Ų12783.4 Ų83.467%0.66546%0.455SS*.Hα-helixtrans-64.8-37.2175.2-75.6166.6000112.5A20 G21 L22 C26 V27A20-L24 WeakPolarHBondContact O-CB 3.45Å; A20-L24 VanDerWaalsContact O-CG 3.25Å; A20-L24 WeakPolarHBondContact O-CG 3.35Å; A20-L24 PolarHBondContact O-N 3.32Å; G21-L24 PolarHBondContact O-N 3.48Å; L22-L24 VanDerWaalsContact C-N 3.3Å; L22-L24 PolarHBondContact O-N 2.88Å; L24-C26 PolarHBondContact O-N 3.3Å; L24-V27 WeakPolarHBondContact O-CB 3.47Å; L24-V27 PolarHBondContact O-N 3.4Å
25L84.9Confident80.5Confident29 Ų2986 Ų8615%0.15248%0.476CS..Hα-helixtrans-68.1-21.9174.4-72.5174000113.5G21 L22 W464 L467 L468 F471G21-L25 WeakPolarHBondContact O-CG 3.31Å; G21-L25 PolarHBondContact O-N 2.92Å; L22-L25 PolarHBondContact O-N 3.29Å; L25-W464 HydrophobicContact CD2-CG 4.47Å; L25-L467 HydrophobicContact CD1-CB 4.06Å; L25-L467 HydrophobicContact CD2-CB 4.12Å; L25-L467 HydrophobicContact CD2-CD1 4.28Å; L25-L468 HydrophobicContact CD1-CB 4.13Å; L25-F471 HydrophobicContact CD1-CD2 3.63Å; L25-F471 HydrophobicContact CD1-CE2 3.96Å; L25-F471 HydrophobicContact CG-CD2 4.36Å; L25-F471 HydrophobicContact CG-CE2 4.28Å
26C80.3Confident79.7Confident102 Ų10287.3 Ų87.369%0.68948%0.482SS*.THydrogen-bonded Turntrans-87.4-8.4175.3-67.60000113.4L22 L23 L24 P28L22-C26 PolarHBondContact O-N 2.88Å; L22-C26 VanDerWaalsContact O-N 3.12Å; L22-C26 PolarHBondContact O-SG 3.47Å; L22-C26 VanDerWaalsContact O-SG 3.33Å; L23-C26 PolarHBondContact O-N 3.49Å; L24-C26 PolarHBondContact O-N 3.3Å; C26-P28 WeakPolarHBondContact O-CD 3.38Å
27V81.7Confident79.4Confident80 Ų8086.6 Ų86.649%0.48548%0.476SS..SBendtrans-67.2122.4176.5177.70000108.4L23 L24 T29L23-V27 PolarHBondContact O-N 2.87Å; L24-V27 WeakPolarHBondContact O-CB 3.47Å; L24-V27 PolarHBondContact O-N 3.4Å; V27-T29 PolarHBondContact O-N 2.88Å
28P70.7Confident79.4Confident120 Ų12087.2 Ų87.278%0.77947%0.471SS*.  trans-63.4112.1178.222.7-30000109.5C26C26-P28 WeakPolarHBondContact O-CD 3.38Å
29T69.6Low79.5Confident88 Ų8888.8 Ų88.854%0.5448%0.478SS..PPolyproline II helixtrans-83.7141.2169.954.90000108.8V27V27-T29 PolarHBondContact O-N 2.88Å
30R65.9Low79.6Confident234 Ų23485.2 Ų85.288%0.88346%0.458SS*.PPolyproline II helixtrans-81.4125.3171.7-76.4-174.7171.2175.5-1.9108.3I32R30-I32 PolarHBondContact O-N 3.43Å
31D70.1Confident79.9Confident79 Ų7983 Ų8342%0.42244%0.44SS..PPolyproline II helixtrans-61.8128.4168.9-68.1-27000109.2L455D31-L455 HydrophobicContact CB-CB 4.46Å; D31-L455 HydrophobicContact CB-CD2 4.01Å
32I67.9Low80.3Confident117 Ų11782.8 Ų82.860%0.644%0.437SS*.EExtended strand (participates in β ladder)trans-92.6123.1175.7-59.8176.1000107.1R30 E34 R456R30-I32 PolarHBondContact O-N 3.43Å; I32-E34 PolarHBondContact O-N 3.47Å; I32-R456 PolarHBondContact N-O 3.22Å; I32-R456 VanDerWaalsContact N-O 3.09Å; I32-R456 PolarHBondContact O-N 2.92Å
33R66.1Low80.7Confident175 Ų17580.6 Ų80.666%0.6643%0.426SS*.EExtended strand (participates in β ladder)trans-70119.5174.5-137.5176.3-170.7-178.1-1.6108.4P453R33-P453 HydrophobicContact CG-CB 4.09Å; R33-P453 VanDerWaalsContact NE-CB 3.35Å
34E69.4Low81.2Confident89 Ų8975.2 Ų75.242%0.41640%0.398SS..PPolyproline II helixtrans-73.6150.5174.4-66.7-165154.300110.3I32 G454 R456I32-E34 PolarHBondContact O-N 3.47Å; E34-G454 PolarHBondContact N-O 3.42Å; E34-R456 HydrophobicContact CG-CB 3.8Å; E34-R456 WeakPolarHBondContact OE1-CB 3.26Å; E34-R456 WeakPolarHBondContact OE1-CD 3.25Å
35P69.5Low81.7Confident118 Ų11870.5 Ų70.577%0.76637%0.373SS*.PPolyproline II helixtrans-55.9133.8169.822.2-30.4000109A37P35-A37 PolarHBondContact O-N 3.29Å
36P73.9Confident82.3Confident53 Ų5369.1 Ų69.134%0.34437%0.366SS..PPolyproline II helixtrans-56.5139.7-179.8-18.826.9000110.8P59 D61P36-P59 HydrophobicContact CB-CB 3.99Å; P36-P59 HydrophobicContact CG-CB 4.21Å; P36-D61 HydrophobicContact CB-CB 4.37Å; P36-D61 WeakPolarHBondContact CB-OD1 3.45Å; P36-D61 HydrophobicContact CG-CB 4.19Å; P36-D61 WeakPolarHBondContact CG-OD1 3.27Å; P36-D61 VanDerWaalsContact CG-OD2 3.29Å; P36-D61 WeakPolarHBondContact CG-OD2 3.39Å
37A83.9Confident82.9Confident41 Ų4164.9 Ų64.934%0.33934%0.339SS..PPolyproline II helixtrans-57.2148.4169.200000110.8P35 A60P35-A37 PolarHBondContact O-N 3.29Å; A37-A60 WeakPolarHBondContact O-CB 3.04Å; A37-A60 PolarHBondContact O-N 2.88Å
38L89.1Confident83.4Confident70 Ų7062.4 Ų62.437%0.36633%0.325SS..EExtended strand (participates in β ladder)trans-82.3135.6173.8-65174.8000110.8Y40 K57 W58L38-Y40 HydrophobicContact CB-CE2 4.14Å; L38-K57 HydrophobicContact CD1-CD 4.38Å; L38-W58 WeakPolarHBondContact CA-O 3.46Å
39K92Very high84.2Confident34 Ų3459.1 Ų59.115%0.14831%0.305CS..EExtended strand (participates in β ladder)trans-101.4156.3162.9-70.1-172176-178.60109.2K57 W58 A60 I448 P449 D451K39-K57 CarbonylContact O-C 3.34Å; K39-K57 WeakPolarHBondContact O-CA 3.34Å; K39-W58 HydrophobicContact CB-CD2 4.21Å; K39-W58 HydrophobicContact CB-CZ2 3.9Å; K39-W58 PolarHBondContact N-O 3.45Å; K39-W58 PolarHBondContact O-N 3.47Å; K39-A60 HydrophobicContact CD-CB 4.23Å; K39-A60 HydrophobicContact CG-CB 4.07Å; K39-I448 HydrophobicContact CD-CG2 4.31Å; K39-P449 PolarHBondContact NZ-O 3.03Å; K39-D451 VanDerWaalsContact CE-CG 3.47Å; K39-D451 WeakPolarHBondContact CE-OD1 3.29Å; K39-D451 WeakPolarHBondContact CE-OD2 3.4Å; K39-D451 IonicContact NZ-OD1 3.65Å; K39-D451 PolarHBondContact NZ-OD1 3.22Å; K39-D451 IonicContact NZ-OD2 3.84Å
40Y94.7Very high85.3Confident24 Ų2459.5 Ų59.59%0.09430%0.301CS..EExtended strand (participates in β ladder)trans-125.9162.3179.5-63.2-96.4000109.6L38 I55 Y56 K57 W58 H72 V107 P108 R111 P116L38-Y40 HydrophobicContact CB-CE2 4.14Å; Y40-I55 HydrophobicContact CD1-CG2 4.45Å; Y40-Y56 CarbonylContact C-O 3.56Å; Y40-Y56 WeakPolarHBondContact CA-O 3.31Å; Y40-K57 HydrophobicContact CD1-CB 3.82Å; Y40-K57 HydrophobicContact CE1-CB 3.83Å; Y40-K57 HydrophobicContact CE1-CD 4.33Å; Y40-W58 VanDerWaalsContact C-CH2 3.46Å; Y40-W58 VanDerWaalsContact C-CZ3 3.48Å; Y40-W58 VanDerWaalsContact O-CH2 3.22Å; Y40-W58 WeakPolarHBondContact O-CH2 3.39Å; Y40-H72 AromaticContact CE1-CD2 3.76Å; Y40-V107 HydrophobicContact CD1-CG1 4.46Å; Y40-V107 HydrophobicContact CD1-CG2 4.38Å; Y40-V107 HydrophobicContact CD2-CG1 4.16Å; Y40-V107 HydrophobicContact CG-CG1 4.01Å; Y40-P108 HydrophobicContact CE2-CG 4.06Å; Y40-R111 HydrophobicContact CD2-CB 4.08Å; Y40-R111 HydrophobicContact CD2-CG 4.17Å; Y40-R111 HydrophobicContact CE2-CB 4.42Å; Y40-R111 HydrophobicContact CE2-CG 4.11Å; Y40-P116 VanDerWaalsContact O-CD 3.26Å; Y40-P116 WeakPolarHBondContact O-CD 3.46Å
41G96.1Very high86.7Confident0 Ų048.3 Ų48.30%026%0.259CS..EExtended strand (participates in β ladder)trans-157.5146.2170.900000110.6Y56G41-Y56 PolarHBondContact N-O 3.37Å; G41-Y56 PolarHBondContact O-N 2.91Å
42I97.7Very high87.9Confident0 Ų044.9 Ų44.90%024%0.241CC..EExtended strand (participates in β ladder)trans-121.6131.9-174.9-53.6168.7000109.4L44 M53 F54 I55 A103 V107 T115 P116 L117 Y118 F152I42-L44 HydrophobicContact CG2-CD1 4.4Å; I42-M53 HydrophobicContact CG2-CG 3.67Å; I42-M53 HydrophobicContact CG2-SD 3.93Å; I42-F54 WeakPolarHBondContact CA-O 3.43Å; I42-I55 HydrophobicContact CG1-CG1 4.27Å; I42-I55 HydrophobicContact CG1-CG2 4.4Å; I42-A103 HydrophobicContact CD1-CB 3.93Å; I42-V107 HydrophobicContact CD1-CG2 4.38Å; I42-T115 HydrophobicContact CD1-CG2 3.94Å; I42-T115 HydrophobicContact CG1-CG2 3.87Å; I42-P116 PolarHBondContact N-O 2.9Å; I42-L117 HydrophobicContact CB-CD1 3.66Å; I42-L117 HydrophobicContact CD1-CD1 4.41Å; I42-L117 HydrophobicContact CG2-CD1 3.47Å; I42-L117 VanDerWaalsContact CG2-CD1 3.47Å; I42-L117 WeakPolarHBondContact O-CA 3.25Å; I42-Y118 PolarHBondContact O-N 3.49Å; I42-F152 HydrophobicContact CD1-CD1 3.88Å; I42-F152 HydrophobicContact CD1-CD2 3.96Å; I42-F152 HydrophobicContact CD1-CE1 3.8Å; I42-F152 HydrophobicContact CD1-CE2 3.88Å; I42-F152 HydrophobicContact CD1-CG 3.97Å; I42-F152 HydrophobicContact CD1-CZ 3.8Å
43V97.8Very high89.3Confident0 Ų039.3 Ų39.30%021%0.212CC..EExtended strand (participates in β ladder)trans-126.9126.1172.6-175.10000109.1F54 Y56 Y118 W436 A437 Y440 M441V43-F54 PolarHBondContact N-O 2.9Å; V43-F54 PolarHBondContact O-N 3.38Å; V43-Y56 HydrophobicContact CB-CE2 4.33Å; V43-Y56 HydrophobicContact CG2-CD2 4.43Å; V43-Y56 HydrophobicContact CG2-CE2 4.09Å; V43-Y118 CarbonylContact C-O 3.45Å; V43-Y118 WeakPolarHBondContact CA-O 3.5Å; V43-W436 HydrophobicContact CG1-CH2 3.9Å; V43-W436 HydrophobicContact CG1-CZ3 3.83Å; V43-A437 HydrophobicContact CB-CB 4.12Å; V43-A437 HydrophobicContact CG1-CB 3.81Å; V43-Y440 HydrophobicContact CG1-CD1 4.43Å; V43-Y440 HydrophobicContact CG2-CD1 4.27Å; V43-M441 HydrophobicContact CG2-CB 4.23Å; V43-M441 HydrophobicContact CG2-CE 3.4Å; V43-M441 VanDerWaalsContact CG2-CE 3.4Å
44L98.1Very high90.8Very high0 Ų032 Ų320%019%0.185CC..EExtended strand (participates in β ladder)trans-93.8115.9164.6-67.496000109.1I42 A46 T51 S52 M53 L96 L117 Y118 L119 G120 L147I42-L44 HydrophobicContact CG2-CD1 4.4Å; L44-A46 PolarHBondContact O-N 2.95Å; L44-T51 HydrophobicContact CB-CG2 4.42Å; L44-T51 HydrophobicContact CD2-CG2 4.37Å; L44-S52 WeakPolarHBondContact CA-O 3.38Å; L44-M53 HydrophobicContact CD1-CG 4.46Å; L44-M53 HydrophobicContact CD2-CB 4.48Å; L44-M53 HydrophobicContact CG-CB 4.18Å; L44-M53 HydrophobicContact CG-CG 4.06Å; L44-L96 HydrophobicContact CD2-CB 4.42Å; L44-L96 HydrophobicContact CD2-CD1 4.14Å; L44-L96 HydrophobicContact CD2-CD2 3.85Å; L44-L96 HydrophobicContact CD2-CG 4.35Å; L44-L117 HydrophobicContact CD1-CD1 3.47Å; L44-L117 VanDerWaalsContact CD1-CD1 3.47Å; L44-Y118 PolarHBondContact N-O 3.35Å; L44-L119 HydrophobicContact CB-CB 4.17Å; L44-L119 HydrophobicContact CB-CD1 4.14Å; L44-L119 HydrophobicContact CB-CG 4Å; L44-G120 PolarHBondContact O-N 3.49Å; L44-L147 HydrophobicContact CD1-CD2 3.97Å
45D96.7Very high92Very high27 Ų2727.8 Ų27.814%0.14417%0.166CC..EExtended strand (participates in β ladder)trans-86.199.2169.8-175.7-7.7000109G47 T51 S52 F54 W436D45-G47 PolarHBondContact O-N 3.33Å; D45-T51 CarbonylContact O-C 3.58Å; D45-T51 VanDerWaalsContact O-CA 3.24Å; D45-T51 WeakPolarHBondContact O-CA 3.44Å; D45-S52 PolarHBondContact N-O 2.94Å; D45-S52 PolarHBondContact O-N 3.45Å; D45-F54 HydrophobicContact CB-CE2 4.08Å; D45-W436 HydrophobicContact CB-CH2 4.43Å; D45-W436 HydrophobicContact CB-CZ2 3.75Å; D45-W436 VanDerWaalsContact CG-CE2 3.45Å; D45-W436 VanDerWaalsContact CG-CZ2 3.48Å; D45-W436 VanDerWaalsContact OD1-CE2 3.3Å; D45-W436 VanDerWaalsContact OD1-CZ2 3.23Å; D45-W436 WeakPolarHBondContact OD1-CZ2 3.37Å; D45-W436 PolarHBondContact OD1-NE1 2.91Å; D45-W436 PolarHBondContact OD2-NE1 2.89Å
46A97.2Very high93.2Very high1 Ų122.4 Ų22.41%0.00813%0.13CC..EExtended strand (participates in β ladder)trans-90.877.6178.800000110.3L44 T51 I82 L119 G120 A121 T122L44-A46 PolarHBondContact O-N 2.95Å; A46-T51 HydrophobicContact CB-CG2 4.28Å; A46-I82 HydrophobicContact CB-CD1 3.71Å; A46-I82 HydrophobicContact CB-CG1 3.96Å; A46-I82 HydrophobicContact CB-CG2 4.19Å; A46-L119 HydrophobicContact CB-CD2 3.9Å; A46-L119 HydrophobicContact CB-CG 4.21Å; A46-G120 PolarHBondContact N-O 3.42Å; A46-A121 HydrophobicContact CB-CB 4Å; A46-A121 WeakPolarHBondContact O-CA 3.25Å; A46-T122 PolarHBondContact O-N 3.29Å; A46-T122 VanDerWaalsContact O-N 3.17Å
47G93.7Very high94Very high12 Ų1223.4 Ų23.412%0.12413%0.129CC..  trans-66.2172.9175.500000113.8D45 S49 H50 G81 T122D45-G47 PolarHBondContact O-N 3.33Å; G47-S49 VanDerWaalsContact C-N 3.33Å; G47-H50 CarbonylContact C-O 3.57Å; G47-H50 VanDerWaalsContact CA-O 3.3Å; G47-H50 WeakPolarHBondContact CA-O 3.42Å; G47-H50 PolarHBondContact N-O 2.93Å; G47-G81 VanDerWaalsContact O-CA 3.24Å; G47-G81 WeakPolarHBondContact O-CA 3.29Å; G47-T122 WeakPolarHBondContact CA-OG1 3.29Å
48S91.6Very high94.2Very high28 Ų2821.5 Ų21.520%0.19611%0.113CC..SBendtrans-66.6-35.4176.3560000113.1G204S48-G204 WeakPolarHBondContact OG-CA 3.23Å
49S87.7Confident94.1Very high52 Ų5220.4 Ų20.436%0.36411%0.11SC..SBendtrans-109-18.5-167.3-38.20000112.6G47 D246G47-S49 VanDerWaalsContact C-N 3.33Å; S49-D246 PolarHBondContact OG-OD2 2.88Å
50H92.2Very high93.6Very high95 Ų9519 Ų1944%0.4410%0.104SC..  trans-160.1169.217761.9-82.9000110.2G47 S52G47-H50 CarbonylContact C-O 3.57Å; G47-H50 VanDerWaalsContact CA-O 3.3Å; G47-H50 WeakPolarHBondContact CA-O 3.42Å; G47-H50 PolarHBondContact N-O 2.93Å; H50-S52 PolarHBondContact CD2-OG 3.35Å; H50-S52 VanDerWaalsContact CD2-OG 3.3Å
51T96Very high92.7Very high0 Ų021.2 Ų21.20%012%0.118CC..EExtended strand (participates in β ladder)trans-118.1133.9167.8-56.90000109.5L44 D45 A46 V77 L96L44-T51 HydrophobicContact CB-CG2 4.42Å; L44-T51 HydrophobicContact CD2-CG2 4.37Å; D45-T51 CarbonylContact O-C 3.58Å; D45-T51 VanDerWaalsContact O-CA 3.24Å; D45-T51 WeakPolarHBondContact O-CA 3.44Å; A46-T51 HydrophobicContact CB-CG2 4.28Å; T51-V77 HydrophobicContact CG2-CG2 3.98Å; T51-V77 VanDerWaalsContact O-CB 3.27Å; T51-V77 WeakPolarHBondContact O-CB 3.34Å; T51-V77 WeakPolarHBondContact O-CG2 3.3Å; T51-V77 PolarHBondContact O-N 3.47Å; T51-L96 HydrophobicContact CG2-CD2 3.98Å
52S95.4Very high91.7Very high6 Ų623 Ų234%0.04213%0.126CC..EExtended strand (participates in β ladder)trans-123.8134.2174.6-63.80000110.4L44 D45 H50 D76L44-S52 WeakPolarHBondContact CA-O 3.38Å; D45-S52 PolarHBondContact N-O 2.94Å; D45-S52 PolarHBondContact O-N 3.45Å; H50-S52 PolarHBondContact CD2-OG 3.35Å; H50-S52 VanDerWaalsContact CD2-OG 3.3Å; S52-D76 WeakPolarHBondContact CB-OD1 3.14Å; S52-D76 PolarHBondContact OG-OD1 3.33Å
53M97.6Very high90.3Very high0 Ų025.9 Ų25.90%014%0.139CC..EExtended strand (participates in β ladder)trans-98.3130.8174.1-174.2-17471.900109.8I42 L44 I55 S74 C75 C99 L100 A103I42-M53 HydrophobicContact CG2-CG 3.67Å; I42-M53 HydrophobicContact CG2-SD 3.93Å; L44-M53 HydrophobicContact CD1-CG 4.46Å; L44-M53 HydrophobicContact CD2-CB 4.48Å; L44-M53 HydrophobicContact CG-CB 4.18Å; L44-M53 HydrophobicContact CG-CG 4.06Å; M53-I55 HydrophobicContact CE-CD1 3.94Å; M53-I55 HydrophobicContact CE-CG1 4.09Å; M53-S74 CarbonylContact O-C 3.57Å; M53-S74 WeakPolarHBondContact O-CA 3.46Å; M53-S74 WeakPolarHBondContact O-CB 3.46Å; M53-C75 HydrophobicContact CB-CB 4.45Å; M53-C75 HydrophobicContact CE-CB 4.02Å; M53-C75 PolarHBondContact N-O 3.12Å; M53-C75 PolarHBondContact O-N 2.92Å; M53-C99 HydrophobicContact CB-CB 4.15Å; M53-C99 HydrophobicContact CE-CB 3.98Å; M53-C99 WeakPolarHBondContact CE-O 3.27Å; M53-C99 HydrophobicContact SD-CB 4.07Å; M53-L100 HydrophobicContact SD-CD2 4.42Å; M53-A103 HydrophobicContact CE-CB 3.84Å; M53-A103 HydrophobicContact SD-CB 3.94Å
54F95.9Very high89Confident23 Ų2329.1 Ų29.110%0.10116%0.157CC..EExtended strand (participates in β ladder)trans-118130174.9-59.8-82.5000110.2I42 V43 D45 Y56 A433 A437I42-F54 WeakPolarHBondContact CA-O 3.43Å; V43-F54 PolarHBondContact N-O 2.9Å; V43-F54 PolarHBondContact O-N 3.38Å; D45-F54 HydrophobicContact CB-CE2 4.08Å; F54-Y56 HydrophobicContact CB-CD2 4.41Å; F54-Y56 HydrophobicContact CB-CE1 4.37Å; F54-Y56 HydrophobicContact CB-CE2 3.59Å; F54-Y56 WeakPolarHBondContact CB-OH 3.49Å; F54-A433 HydrophobicContact CE1-CB 4.14Å; F54-A437 HydrophobicContact CD2-CB 3.8Å; F54-A437 HydrophobicContact CE2-CB 4.27Å
55I96Very high87.7Confident0 Ų034.8 Ų34.80%019%0.187CC..EExtended strand (participates in β ladder)trans-106.4124.6172.8-51.7-173.7000107.4Y40 I42 M53 H72 S73 A103 D106 V107Y40-I55 HydrophobicContact CD1-CG2 4.45Å; I42-I55 HydrophobicContact CG1-CG1 4.27Å; I42-I55 HydrophobicContact CG1-CG2 4.4Å; M53-I55 HydrophobicContact CE-CD1 3.94Å; M53-I55 HydrophobicContact CE-CG1 4.09Å; I55-H72 HydrophobicContact CG2-CB 4.32Å; I55-H72 WeakPolarHBondContact O-CA 3.36Å; I55-H72 WeakPolarHBondContact O-CB 3.3Å; I55-H72 PolarHBondContact O-N 3.38Å; I55-S73 WeakPolarHBondContact CD1-OG 3.36Å; I55-S73 PolarHBondContact N-O 3.44Å; I55-S73 PolarHBondContact O-N 3.36Å; I55-A103 HydrophobicContact CD1-CB 3.76Å; I55-D106 HydrophobicContact CD1-CB 3.7Å; I55-V107 HydrophobicContact CD1-CG2 4.37Å; I55-V107 HydrophobicContact CG2-CG2 3.87Å
56Y93.3Very high86.9Confident4 Ų433.5 Ų33.52%0.01618%0.18CC..EExtended strand (participates in β ladder)trans-111154.1179.1-61.7-72.3000110.7Y40 G41 V43 F54 V69 G70 Q71 A437 L438 M441Y40-Y56 CarbonylContact C-O 3.56Å; Y40-Y56 WeakPolarHBondContact CA-O 3.31Å; G41-Y56 PolarHBondContact N-O 3.37Å; G41-Y56 PolarHBondContact O-N 2.91Å; V43-Y56 HydrophobicContact CB-CE2 4.33Å; V43-Y56 HydrophobicContact CG2-CD2 4.43Å; V43-Y56 HydrophobicContact CG2-CE2 4.09Å; F54-Y56 HydrophobicContact CB-CD2 4.41Å; F54-Y56 HydrophobicContact CB-CE1 4.37Å; F54-Y56 HydrophobicContact CB-CE2 3.59Å; F54-Y56 WeakPolarHBondContact CB-OH 3.49Å; Y56-V69 HydrophobicContact CD1-CG1 3.89Å; Y56-V69 HydrophobicContact CG-CG1 3.9Å; Y56-G70 WeakPolarHBondContact CA-O 3.48Å; Y56-Q71 HydrophobicContact CD1-CB 4.22Å; Y56-Q71 HydrophobicContact CE1-CB 4.15Å; Y56-Q71 HydrophobicContact CE1-CG 4.42Å; Y56-A437 WeakPolarHBondContact OH-CB 3.45Å; Y56-L438 HydrophobicContact CD1-CD1 3.72Å; Y56-L438 HydrophobicContact CE1-CB 3.85Å; Y56-L438 HydrophobicContact CE1-CD1 3.62Å; Y56-L438 HydrophobicContact CE1-CG 4.23Å; Y56-L438 HydrophobicContact CG-CD1 4.44Å; Y56-L438 PolarHBondContact OH-N 3.26Å; Y56-M441 HydrophobicContact CD2-CB 4.01Å; Y56-M441 HydrophobicContact CD2-CE 4.4Å; Y56-M441 HydrophobicContact CD2-CG 3.9Å; Y56-M441 HydrophobicContact CE2-CB 4.26Å; Y56-M441 HydrophobicContact CG-CG 4.26Å
57K91.8Very high86Confident74 Ų7433.5 Ų33.532%0.32218%0.18SC..EExtended strand (participates in β ladder)trans-138149.3171.468.5-175.6177.6-1750111.8L38 K39 Y40 G70 H72L38-K57 HydrophobicContact CD1-CD 4.38Å; K39-K57 CarbonylContact O-C 3.34Å; K39-K57 WeakPolarHBondContact O-CA 3.34Å; Y40-K57 HydrophobicContact CD1-CB 3.82Å; Y40-K57 HydrophobicContact CE1-CB 3.83Å; Y40-K57 HydrophobicContact CE1-CD 4.33Å; K57-G70 PolarHBondContact N-O 3Å; K57-G70 PolarHBondContact O-N 3.33Å; K57-H72 HydrophobicContact CB-CB 4.36Å; K57-H72 HydrophobicContact CD-CB 3.97Å; K57-H72 HydrophobicContact CG-CB 4.05Å
58W88.6Confident85.5Confident2 Ų234.3 Ų34.31%0.00818%0.181CC..EExtended strand (participates in β ladder)trans-149.8153.617558103.5000111.3L38 K39 Y40 I68 V69 M441 T445 I448L38-W58 WeakPolarHBondContact CA-O 3.46Å; K39-W58 HydrophobicContact CB-CD2 4.21Å; K39-W58 HydrophobicContact CB-CZ2 3.9Å; K39-W58 PolarHBondContact N-O 3.45Å; K39-W58 PolarHBondContact O-N 3.47Å; Y40-W58 VanDerWaalsContact C-CH2 3.46Å; Y40-W58 VanDerWaalsContact C-CZ3 3.48Å; Y40-W58 VanDerWaalsContact O-CH2 3.22Å; Y40-W58 WeakPolarHBondContact O-CH2 3.39Å; W58-I68 WeakPolarHBondContact CB-O 3.37Å; W58-V69 HydrophobicContact CB-CG2 4.21Å; W58-V69 HydrophobicContact CD2-CG2 4.14Å; W58-V69 HydrophobicContact CE3-CG1 4.13Å; W58-V69 HydrophobicContact CE3-CG2 3.96Å; W58-V69 HydrophobicContact CG-CG2 4.26Å; W58-M441 HydrophobicContact CH2-SD 3.84Å; W58-M441 HydrophobicContact CZ3-CG 4.16Å; W58-M441 HydrophobicContact CZ3-SD 3.97Å; W58-T445 HydrophobicContact CD2-CG2 4.34Å; W58-T445 HydrophobicContact CH2-CG2 4.45Å; W58-T445 HydrophobicContact CZ2-CG2 4.11Å; W58-I448 HydrophobicContact CH2-CD1 4.38Å; W58-I448 HydrophobicContact CZ2-CD1 3.84Å
59P86Confident85.2Confident47 Ų4733.2 Ų33.231%0.30517%0.173SC..EExtended strand (participates in β ladder)trans-55141.7165.5-2536.7000111.4P36 D61P36-P59 HydrophobicContact CB-CB 3.99Å; P36-P59 HydrophobicContact CG-CB 4.21Å; P59-D61 WeakPolarHBondContact CB-OD1 3.3Å; P59-D61 PolarHBondContact O-N 2.92Å
60A81.4Confident85Confident3 Ų332.2 Ų32.23%0.02517%0.171CC..SBendtrans-70.5-19.5-176.600000114.1A37 K39 A450 D451A37-A60 WeakPolarHBondContact O-CB 3.04Å; A37-A60 PolarHBondContact O-N 2.88Å; K39-A60 HydrophobicContact CD-CB 4.23Å; K39-A60 HydrophobicContact CG-CB 4.07Å; A60-A450 WeakPolarHBondContact O-CA 3.44Å; A60-D451 HydrophobicContact CB-CB 3.84Å; A60-D451 WeakPolarHBondContact CB-OD2 3.27Å; A60-D451 PolarHBondContact O-N 3Å; A60-D451 VanDerWaalsContact O-N 3.14Å
61D76.9Confident84.9Confident72 Ų7230 Ų3039%0.38516%0.161SC..SBendtrans-76.7159.3166.664.3-20.1000110.7P36 P59P36-D61 HydrophobicContact CB-CB 4.37Å; P36-D61 WeakPolarHBondContact CB-OD1 3.45Å; P36-D61 HydrophobicContact CG-CB 4.19Å; P36-D61 WeakPolarHBondContact CG-OD1 3.27Å; P36-D61 VanDerWaalsContact CG-OD2 3.29Å; P36-D61 WeakPolarHBondContact CG-OD2 3.39Å; P59-D61 WeakPolarHBondContact CB-OD1 3.3Å; P59-D61 PolarHBondContact O-N 2.92Å
62K74.9Confident84.7Confident37 Ų3733.2 Ų33.216%0.16118%0.176CC..  trans-136.5155.3-170.9-61.1-167.5-178.3-1730111.8D65 T445 I448 A450K62-D65 VanDerWaalsContact CD-O 3.24Å; K62-D65 WeakPolarHBondContact CD-O 3.34Å; K62-T445 PolarHBondContact NZ-O 3.34Å; K62-I448 PolarHBondContact NZ-O 3.08Å; K62-A450 HydrophobicContact CB-CB 4.27Å; K62-A450 HydrophobicContact CD-CB 4.23Å; K62-A450 HydrophobicContact CG-CB 3.98Å
63E68.4Low84.6Confident60 Ų6034 Ų3428%0.2818%0.181SC..BIsolated β-bridgetrans-104108.3174.218066.5-148.800109D65 T66 I181 Y229E63-D65 VanDerWaalsContact C-N 3.3Å; E63-D65 PolarHBondContact O-N 3.45Å; E63-T66 PolarHBondContact N-O 3.34Å; E63-T66 PolarHBondContact O-N 3.41Å; E63-T66 VanDerWaalsContact O-N 3.13Å; E63-I181 HydrophobicContact CB-CD1 4.33Å; E63-I181 HydrophobicContact CG-CD1 3.63Å; E63-Y229 HydrophobicContact CB-CD1 4.35Å; E63-Y229 HydrophobicContact CG-CD1 4.3Å
64N69.3Low84.4Confident69 Ų6936.5 Ų36.537%0.36920%0.199SC..THydrogen-bonded Turntrans4951.5-178.1-53.7-59.9000112.1T66N64-T66 PolarHBondContact O-N 3Å; N64-T66 VanDerWaalsContact O-N 3.08Å
65D72.3Confident84.5Confident118 Ų11836.3 Ų36.363%0.63120%0.2SC*.THydrogen-bonded Turntrans69.9-12.9-179.3-50.7-40000116.6K62 E63 N446K62-D65 VanDerWaalsContact CD-O 3.24Å; K62-D65 WeakPolarHBondContact CD-O 3.34Å; E63-D65 VanDerWaalsContact C-N 3.3Å; E63-D65 PolarHBondContact O-N 3.45Å; D65-N446 PolarHBondContact O-OD1 3.32Å
66T78.1Confident84.5Confident1 Ų141.7 Ų41.71%0.00623%0.229CC..BIsolated β-bridgetrans-94.1133177-47.70000110.9E63 N64 Y229 L442 N446E63-T66 PolarHBondContact N-O 3.34Å; E63-T66 PolarHBondContact O-N 3.41Å; E63-T66 VanDerWaalsContact O-N 3.13Å; N64-T66 PolarHBondContact O-N 3Å; N64-T66 VanDerWaalsContact O-N 3.08Å; T66-Y229 VanDerWaalsContact CB-CE1 3.45Å; T66-Y229 HydrophobicContact CG2-CD1 4.05Å; T66-Y229 HydrophobicContact CG2-CD2 4.37Å; T66-Y229 HydrophobicContact CG2-CE1 3.49Å; T66-Y229 VanDerWaalsContact CG2-CE1 3.49Å; T66-Y229 HydrophobicContact CG2-CE2 3.86Å; T66-Y229 HydrophobicContact CG2-CG 4.45Å; T66-Y229 PolarHBondContact OG1-N 3.48Å; T66-Y229 VanDerWaalsContact OG1-N 3.15Å; T66-L442 HydrophobicContact CG2-CD2 4.38Å; T66-N446 VanDerWaalsContact CA-OD1 3.29Å; T66-N446 WeakPolarHBondContact CA-OD1 3.5Å; T66-N446 WeakPolarHBondContact CB-OD1 3.29Å; T66-N446 PolarHBondContact N-OD1 3.01Å; T66-N446 PolarHBondContact OG1-OD1 3.36Å
67G78.9Confident84.6Confident0 Ų041.8 Ų41.80%023%0.23CC..  trans-79.4148.8177.700000112.7V69 Y229 L442 T445G67-V69 PolarHBondContact O-N 3.23Å; G67-Y229 PolarHBondContact O-OH 3.48Å; G67-L442 WeakPolarHBondContact O-CD2 3.04Å; G67-T445 PolarHBondContact N-OG1 2.85Å
68I83.3Confident84.7Confident30 Ų3043.4 Ų43.415%0.15425%0.248CC..  trans-88.991.2171.2-54.9-60.7000108.7W58 Y175 I181 W189 Y229W58-I68 WeakPolarHBondContact CB-O 3.37Å; I68-Y175 VanDerWaalsContact C-OH 3.28Å; I68-Y175 WeakPolarHBondContact CA-OH 3.33Å; I68-Y175 WeakPolarHBondContact CG2-OH 3.49Å; I68-I181 HydrophobicContact CD1-CD1 4.08Å; I68-I181 HydrophobicContact CD1-CG2 3.97Å; I68-W189 HydrophobicContact CB-CZ2 4.4Å; I68-W189 HydrophobicContact CD1-CD2 4.45Å; I68-W189 HydrophobicContact CG1-CZ2 4.11Å; I68-W189 HydrophobicContact CG2-CH2 3.7Å; I68-W189 HydrophobicContact CG2-CZ2 3.76Å; I68-W189 HydrophobicContact CG2-CZ3 4.41Å; I68-Y229 HydrophobicContact CD1-CE1 3.77Å
69V85.2Confident84.8Confident4 Ų446 Ų462%0.02428%0.275CS..  trans-87.1135-173.3-174.60000112.3Y56 W58 G67 Y175 L438 M441 L442 T445Y56-V69 HydrophobicContact CD1-CG1 3.89Å; Y56-V69 HydrophobicContact CG-CG1 3.9Å; W58-V69 HydrophobicContact CB-CG2 4.21Å; W58-V69 HydrophobicContact CD2-CG2 4.14Å; W58-V69 HydrophobicContact CE3-CG1 4.13Å; W58-V69 HydrophobicContact CE3-CG2 3.96Å; W58-V69 HydrophobicContact CG-CG2 4.26Å; G67-V69 PolarHBondContact O-N 3.23Å; V69-Y175 PolarHBondContact N-OH 3.41Å; V69-Y175 WeakPolarHBondContact O-CE1 3.5Å; V69-Y175 PolarHBondContact O-OH 3.08Å; V69-L438 HydrophobicContact CB-CD1 3.88Å; V69-L438 HydrophobicContact CG1-CD1 3.46Å; V69-L438 VanDerWaalsContact CG1-CD1 3.46Å; V69-M441 HydrophobicContact CG1-CG 4.41Å; V69-L442 HydrophobicContact CB-CD2 3.88Å; V69-L442 HydrophobicContact CB-CG 4.44Å; V69-L442 HydrophobicContact CG2-CD2 3.61Å; V69-L442 HydrophobicContact CG2-CG 4.32Å; V69-T445 HydrophobicContact CG2-CG2 3.7Å
70G84.6Confident85.1Confident32 Ų3244.8 Ų44.833%0.3327%0.272SS..EExtended strand (participates in β ladder)trans-124.1147.7167.800000110.9Y56 K57 H72Y56-G70 WeakPolarHBondContact CA-O 3.48Å; K57-G70 PolarHBondContact N-O 3Å; K57-G70 PolarHBondContact O-N 3.33Å; G70-H72 PolarHBondContact O-N 3.22Å
71Q88.3Confident85.7Confident49 Ų4944.7 Ų44.723%0.22927%0.271CS..EExtended strand (participates in β ladder)trans-66129.4169.8-172.8-179.6-36.700109.1Y56 S74 T432Y56-Q71 HydrophobicContact CD1-CB 4.22Å; Y56-Q71 HydrophobicContact CE1-CB 4.15Å; Y56-Q71 HydrophobicContact CE1-CG 4.42Å; Q71-S74 PolarHBondContact NE2-OG 3.2Å; Q71-T432 HydrophobicContact CB-CG2 3.87Å
72H91.8Very high86.7Confident67 Ų6741.3 Ų41.331%0.3125%0.253SS..EExtended strand (participates in β ladder)trans-94.2-50176-177.124.7000111.7Y40 I55 K57 G70 D106Y40-H72 AromaticContact CE1-CD2 3.76Å; I55-H72 HydrophobicContact CG2-CB 4.32Å; I55-H72 WeakPolarHBondContact O-CA 3.36Å; I55-H72 WeakPolarHBondContact O-CB 3.3Å; I55-H72 PolarHBondContact O-N 3.38Å; K57-H72 HydrophobicContact CB-CB 4.36Å; K57-H72 HydrophobicContact CD-CB 3.97Å; K57-H72 HydrophobicContact CG-CB 4.05Å; G70-H72 PolarHBondContact O-N 3.22Å; H72-D106 PolarHBondContact NE2-O 2.96Å
73S93.6Very high87.7Confident22 Ų2240.7 Ų40.715%0.15425%0.253CS..EExtended strand (participates in β ladder)trans-157.2171178.465.20000110.3I55 D106I55-S73 WeakPolarHBondContact CD1-OG 3.36Å; I55-S73 PolarHBondContact N-O 3.44Å; I55-S73 PolarHBondContact O-N 3.36Å; S73-D106 VanDerWaalsContact CB-OD2 3.27Å; S73-D106 WeakPolarHBondContact CB-OD2 3.33Å; S73-D106 PolarHBondContact OG-OD2 3.34Å
74S94.9Very high89Confident52 Ų5241.6 Ų41.636%0.36427%0.266SS..EExtended strand (participates in β ladder)trans-147.1161.917555.40000111.3M53 Q71 Q102M53-S74 CarbonylContact O-C 3.57Å; M53-S74 WeakPolarHBondContact O-CA 3.46Å; M53-S74 WeakPolarHBondContact O-CB 3.46Å; Q71-S74 PolarHBondContact NE2-OG 3.2Å; S74-Q102 PolarHBondContact O-NE2 3.29Å
75C96.5Very high90.3Very high19 Ų1940.6 Ų40.613%0.12826%0.257CS..EExtended strand (participates in β ladder)trans-146.9129.2175.9177.50000109.8M53 C99M53-C75 HydrophobicContact CB-CB 4.45Å; M53-C75 HydrophobicContact CE-CB 4.02Å; M53-C75 PolarHBondContact N-O 3.12Å; M53-C75 PolarHBondContact O-N 2.92Å; C75-C99 HydrophobicContact CB-CB 3.69Å; C75-C99 WeakPolarHBondContact CB-SG 3.46Å; C75-C99 WeakPolarHBondContact SG-CA 3.38Å; C75-C99 WeakPolarHBondContact SG-CB 3.29Å; C75-C99 CovalentContact SG-SG 2.04Å; C75-C99 PolarHBondContact SG-SG 2.94Å
76D96.1Very high91.5Very high114 Ų11436 Ų3661%0.6124%0.236SC*.EExtended strand (participates in β ladder)trans-92.2123.4173.9-65.2-41000109.2S52 P78S52-D76 WeakPolarHBondContact CB-OD1 3.14Å; S52-D76 PolarHBondContact OG-OD1 3.33Å; D76-P78 WeakPolarHBondContact O-CD 3.37Å
77V96.7Very high92.3Very high6 Ų643.8 Ų43.84%0.03628%0.278CS..EExtended strand (participates in β ladder)trans-71.7126.8178.8176.30000108.9T51 S95 L96 C99T51-V77 HydrophobicContact CG2-CG2 3.98Å; T51-V77 VanDerWaalsContact O-CB 3.27Å; T51-V77 WeakPolarHBondContact O-CB 3.34Å; T51-V77 WeakPolarHBondContact O-CG2 3.3Å; T51-V77 PolarHBondContact O-N 3.47Å; V77-S95 WeakPolarHBondContact CG1-O 3.32Å; V77-L96 HydrophobicContact CG2-CD2 4.18Å; V77-C99 HydrophobicContact CG2-CB 4.28Å
78P92.9Very high93.1Very high107 Ų10747.9 Ų47.970%0.69530%0.299SS*.SBendtrans-62.3137.3174.3-21.432.7000111.7D76D76-P78 WeakPolarHBondContact O-CD 3.37Å
79G91Very high93.8Very high56 Ų5648 Ų4858%0.57730%0.302SS*.SBendtrans105.3-160.5177.700000113.5
80G91.9Very high94.4Very high23 Ų2351.8 Ų51.824%0.23733%0.329CS..SBendtrans-84.7-178.3-178.200000113.7
81G94.8Very high95Very high1 Ų150.9 Ų50.91%0.0132%0.319CS..  trans-66.4156.716800000111.6G47 S83 S84G47-G81 VanDerWaalsContact O-CA 3.24Å; G47-G81 WeakPolarHBondContact O-CA 3.29Å; G81-S83 PolarHBondContact O-N 2.92Å; G81-S84 WeakPolarHBondContact O-CB 3.1Å; G81-S84 PolarHBondContact O-N 2.93Å; G81-S84 PolarHBondContact O-OG 2.92Å
82I97.9Very high95.5Very high1 Ų148.6 Ų48.61%0.00531%0.309CS..G310 helixtrans-57.8-24.6-175.766175.3000113.8A46 S84 Y85 A92 L119 A121 M125 V139 V143A46-I82 HydrophobicContact CB-CD1 3.71Å; A46-I82 HydrophobicContact CB-CG1 3.96Å; A46-I82 HydrophobicContact CB-CG2 4.19Å; I82-S84 PolarHBondContact O-N 2.97Å; I82-Y85 WeakPolarHBondContact O-CB 3.4Å; I82-Y85 PolarHBondContact O-N 2.87Å; I82-A92 HydrophobicContact CB-CB 4.34Å; I82-L119 HydrophobicContact CD1-CD2 4.04Å; I82-A121 HydrophobicContact CD1-CB 3.96Å; I82-M125 HydrophobicContact CD1-CG 3.9Å; I82-M125 HydrophobicContact CD1-SD 4.21Å; I82-M125 HydrophobicContact CG1-CG 3.76Å; I82-M125 HydrophobicContact CG1-SD 3.9Å; I82-V139 HydrophobicContact CB-CG1 4.03Å; I82-V139 HydrophobicContact CD1-CG1 4.16Å; I82-V139 HydrophobicContact CG1-CG1 4.11Å; I82-V139 WeakPolarHBondContact O-CG1 3.44Å; I82-V143 HydrophobicContact CG2-CG1 4.32Å
83S96.5Very high95.7Very high24 Ų2445.4 Ų45.417%0.16829%0.294CS..G310 helixtrans-66.8-20.7175.955.30000113.8G81 Y85 A86G81-S83 PolarHBondContact O-N 2.92Å; S83-Y85 PolarHBondContact O-N 3.49Å; S83-A86 PolarHBondContact O-N 3.31Å
84S95.3Very high96Very high78 Ų7850.6 Ų50.655%0.54532%0.316SS..G310 helixtrans-71.1-10.4175.570.30000113.1G81 I82 A86G81-S84 WeakPolarHBondContact O-CB 3.1Å; G81-S84 PolarHBondContact O-N 2.93Å; G81-S84 PolarHBondContact O-OG 2.92Å; I82-S84 PolarHBondContact O-N 2.97Å; S84-A86 VanDerWaalsContact C-N 3.33Å
85Y97Very high96.1Very high49 Ų4949 Ų4919%0.19231%0.305CS..G310 helixtrans-96.221177.7-63.4-85.4000112.2I82 S83 D87 N88 P89 G91 A92I82-Y85 WeakPolarHBondContact O-CB 3.4Å; I82-Y85 PolarHBondContact O-N 2.87Å; S83-Y85 PolarHBondContact O-N 3.49Å; Y85-D87 PolarHBondContact O-N 3.01Å; Y85-N88 CarbonylContact O-C 3.6Å; Y85-N88 PolarHBondContact O-N 2.89Å; Y85-P89 WeakPolarHBondContact O-CA 3.47Å; Y85-P89 VanDerWaalsContact O-N 3.08Å; Y85-G91 VanDerWaalsContact CD1-C 3.48Å; Y85-A92 HydrophobicContact CD2-CB 4.09Å; Y85-A92 HydrophobicContact CG-CB 4.04Å
86A95.7Very high96.2Very high22 Ų2248.1 Ų48.118%0.18230%0.299CS..THydrogen-bonded Turntrans-52-41.6179.200000112.8S83 S84 L128 A135S83-A86 PolarHBondContact O-N 3.31Å; S84-A86 VanDerWaalsContact C-N 3.33Å; A86-L128 HydrophobicContact CB-CD1 3.69Å; A86-L128 HydrophobicContact CB-CD2 3.97Å; A86-A135 HydrophobicContact CB-CB 4.25Å
87D95.2Very high96.3Very high164 Ų16444.5 Ų44.588%0.87728%0.281SS*.THydrogen-bonded Turntrans-87.6-7.3178.8-57.4-42.6000113.5Y85Y85-D87 PolarHBondContact O-N 3.01Å
88N96.9Very high96.4Very high86 Ų8646.7 Ų46.746%0.4631%0.305SS..  trans-141.567.9176.4-177.524.6000111.7Y85 S90 G91Y85-N88 CarbonylContact O-C 3.6Å; Y85-N88 PolarHBondContact O-N 2.89Å; N88-S90 VanDerWaalsContact C-N 3.27Å; N88-S90 PolarHBondContact O-N 2.98Å; N88-S90 VanDerWaalsContact O-N 3.16Å; N88-S90 PolarHBondContact OD1-OG 3.5Å; N88-S90 VanDerWaalsContact OD1-OG 3.1Å; N88-G91 PolarHBondContact O-N 3.34Å
89P97.4Very high96.7Very high33 Ų3341.6 Ų41.621%0.21427%0.272CS..Hα-helixtrans-58.4-33.6-170.4-28.636.7000114.6Y85 G91 A92 V139 A142Y85-P89 WeakPolarHBondContact O-CA 3.47Å; Y85-P89 VanDerWaalsContact O-N 3.08Å; P89-G91 PolarHBondContact O-N 3.2Å; P89-A92 WeakPolarHBondContact O-CB 3.36Å; P89-A92 PolarHBondContact O-N 3.45Å; P89-V139 HydrophobicContact CB-CG2 4.24Å; P89-V139 HydrophobicContact CG-CG2 4.44Å; P89-A142 HydrophobicContact CB-CB 4.2Å; P89-A142 WeakPolarHBondContact O-CB 3.07Å
90S97.4Very high97Very high83 Ų8339 Ų3958%0.5824%0.244SC*.Hα-helixtrans-60.6-32.2176.657.90000112.5N88 A92 G93 Q94N88-S90 VanDerWaalsContact C-N 3.27Å; N88-S90 PolarHBondContact O-N 2.98Å; N88-S90 VanDerWaalsContact O-N 3.16Å; N88-S90 PolarHBondContact OD1-OG 3.5Å; N88-S90 VanDerWaalsContact OD1-OG 3.1Å; S90-A92 VanDerWaalsContact C-N 3.26Å; S90-A92 PolarHBondContact O-N 3.43Å; S90-G93 PolarHBondContact O-N 3.49Å; S90-Q94 PolarHBondContact O-N 2.88Å
91G97.8Very high97.3Very high13 Ų1341.7 Ų41.713%0.13425%0.251CS..Hα-helixtrans-61.4-31.6173.100000113.3Y85 N88 P89 Q94 S95Y85-G91 VanDerWaalsContact CD1-C 3.48Å; N88-G91 PolarHBondContact O-N 3.34Å; P89-G91 PolarHBondContact O-N 3.2Å; G91-Q94 PolarHBondContact O-N 3.3Å; G91-S95 WeakPolarHBondContact O-CB 3.15Å; G91-S95 PolarHBondContact O-N 2.84Å
92A97.8Very high97.5Very high0 Ų043.8 Ų43.80%026%0.261CS..Hα-helixtrans-62.7-49.1176.600000111.1I82 Y85 P89 S90 S95 V139 V143I82-A92 HydrophobicContact CB-CB 4.34Å; Y85-A92 HydrophobicContact CD2-CB 4.09Å; Y85-A92 HydrophobicContact CG-CB 4.04Å; P89-A92 WeakPolarHBondContact O-CB 3.36Å; P89-A92 PolarHBondContact O-N 3.45Å; S90-A92 VanDerWaalsContact C-N 3.26Å; S90-A92 PolarHBondContact O-N 3.43Å; A92-S95 PolarHBondContact O-N 2.99Å; A92-S95 PolarHBondContact O-OG 3.49Å; A92-V139 HydrophobicContact CB-CG1 3.94Å; A92-V143 HydrophobicContact CB-CG1 3.83Å
93G97.6Very high97.5Very high1 Ų143.8 Ų43.81%0.0126%0.26CS..Hα-helixtrans-63.2-47.4176.200000111.9S90 S95 L96 T146S90-G93 PolarHBondContact O-N 3.49Å; G93-S95 VanDerWaalsContact C-N 3.25Å; G93-S95 PolarHBondContact O-N 3.33Å; G93-L96 WeakPolarHBondContact O-CB 3.4Å; G93-L96 PolarHBondContact O-N 3.05Å; G93-L96 VanDerWaalsContact O-N 3.09Å; G93-T146 VanDerWaalsContact CA-OG1 3.26Å; G93-T146 WeakPolarHBondContact CA-OG1 3.05Å; G93-T146 WeakPolarHBondContact O-CG2 3.44Å
94Q98.1Very high97.6Very high130 Ų13044.9 Ų44.961%0.60726%0.264SS*.Hα-helixtrans-60.2-33.7-179.4-172.359.831.700113.1S90 G91 L96 V97S90-Q94 PolarHBondContact O-N 2.88Å; G91-Q94 PolarHBondContact O-N 3.3Å; Q94-L96 PolarHBondContact O-N 3.36Å; Q94-V97 WeakPolarHBondContact O-CG2 3.49Å; Q94-V97 PolarHBondContact O-N 3.29Å
95S98.2Very high97.8Very high19 Ų1949.3 Ų49.313%0.13327%0.269CS..Hα-helixtrans-57.4-31.717876.10000112.7V77 G91 A92 G93 V97V77-S95 WeakPolarHBondContact CG1-O 3.32Å; G91-S95 WeakPolarHBondContact O-CB 3.15Å; G91-S95 PolarHBondContact O-N 2.84Å; A92-S95 PolarHBondContact O-N 2.99Å; A92-S95 PolarHBondContact O-OG 3.49Å; G93-S95 VanDerWaalsContact C-N 3.25Å; G93-S95 PolarHBondContact O-N 3.33Å; S95-V97 PolarHBondContact O-N 3.32Å
96L98.6Very high97.8Very high0 Ų049.1 Ų49.10%027%0.271CS..Hα-helixtrans-77.6-21.4-173.3-51-178.3000113.3L44 T51 V77 G93 Q94 G98 C99 L100 L119 V143 L147L44-L96 HydrophobicContact CD2-CB 4.42Å; L44-L96 HydrophobicContact CD2-CD1 4.14Å; L44-L96 HydrophobicContact CD2-CD2 3.85Å; L44-L96 HydrophobicContact CD2-CG 4.35Å; T51-L96 HydrophobicContact CG2-CD2 3.98Å; V77-L96 HydrophobicContact CG2-CD2 4.18Å; G93-L96 WeakPolarHBondContact O-CB 3.4Å; G93-L96 PolarHBondContact O-N 3.05Å; G93-L96 VanDerWaalsContact O-N 3.09Å; Q94-L96 PolarHBondContact O-N 3.36Å; L96-G98 VanDerWaalsContact C-N 3.32Å; L96-G98 PolarHBondContact O-N 3.09Å; L96-C99 PolarHBondContact O-N 3.46Å; L96-C99 VanDerWaalsContact O-N 3.14Å; L96-L100 HydrophobicContact CB-CD1 3.79Å; L96-L100 HydrophobicContact CB-CG 4.32Å; L96-L100 WeakPolarHBondContact O-CG 3.19Å; L96-L100 PolarHBondContact O-N 3.47Å; L96-L119 HydrophobicContact CD1-CD1 3.92Å; L96-V143 HydrophobicContact CD1-CB 4Å; L96-V143 HydrophobicContact CD1-CG1 4.03Å; L96-L147 HydrophobicContact CD1-CD1 4.47Å; L96-L147 HydrophobicContact CD1-CD2 4.28Å; L96-L147 HydrophobicContact CD1-CG 4.31Å
97V98.4Very high97.9Very high38 Ų3848.2 Ų48.223%0.2326%0.263CS..Hα-helixtrans-54.4-45.3-170.5171.30000111.8Q94 S95 C99 L100 E101 T146Q94-V97 WeakPolarHBondContact O-CG2 3.49Å; Q94-V97 PolarHBondContact O-N 3.29Å; S95-V97 PolarHBondContact O-N 3.32Å; V97-C99 VanDerWaalsContact C-N 3.33Å; V97-C99 PolarHBondContact O-N 3.43Å; V97-L100 PolarHBondContact O-N 3.11Å; V97-L100 VanDerWaalsContact O-N 3.15Å; V97-E101 HydrophobicContact CG1-CG 4.26Å; V97-E101 WeakPolarHBondContact O-CG 3.09Å; V97-E101 PolarHBondContact O-N 3.3Å; V97-T146 HydrophobicContact CG2-CG2 4.1Å
98G98.1Very high98Very high52 Ų5242.3 Ų42.354%0.53623%0.234SC..Hα-helixtrans-57.9-42.7-178.500000113.5L96 Q102L96-G98 VanDerWaalsContact C-N 3.32Å; L96-G98 PolarHBondContact O-N 3.09Å; G98-Q102 PolarHBondContact O-N 3.02Å
99C98.4Very high98Very high1 Ų146.5 Ų46.51%0.00725%0.248CC..Hα-helixtrans-75.5-36176.5-70.70000112.2M53 C75 V77 L96 V97 E101 Q102 A103M53-C99 HydrophobicContact CB-CB 4.15Å; M53-C99 HydrophobicContact CE-CB 3.98Å; M53-C99 WeakPolarHBondContact CE-O 3.27Å; M53-C99 HydrophobicContact SD-CB 4.07Å; C75-C99 HydrophobicContact CB-CB 3.69Å; C75-C99 WeakPolarHBondContact CB-SG 3.46Å; C75-C99 WeakPolarHBondContact SG-CA 3.38Å; C75-C99 WeakPolarHBondContact SG-CB 3.29Å; C75-C99 CovalentContact SG-SG 2.04Å; C75-C99 PolarHBondContact SG-SG 2.94Å; V77-C99 HydrophobicContact CG2-CB 4.28Å; L96-C99 PolarHBondContact O-N 3.46Å; L96-C99 VanDerWaalsContact O-N 3.14Å; V97-C99 VanDerWaalsContact C-N 3.33Å; V97-C99 PolarHBondContact O-N 3.43Å; C99-E101 VanDerWaalsContact C-N 3.33Å; C99-E101 PolarHBondContact O-N 3.21Å; C99-Q102 WeakPolarHBondContact O-CA 3.38Å; C99-Q102 VanDerWaalsContact O-CB 3.31Å; C99-Q102 WeakPolarHBondContact O-CB 3.48Å; C99-Q102 PolarHBondContact O-N 2.93Å; C99-A103 PolarHBondContact O-N 2.87Å
100L98.6Very high97.9Very high0 Ų052.3 Ų52.30%027%0.272CS..Hα-helixtrans-65.4-36.6176.9-66.2168.1000112.2M53 L96 V97 Q102 A103 L104 L117 T146 L147 Y150M53-L100 HydrophobicContact SD-CD2 4.42Å; L96-L100 HydrophobicContact CB-CD1 3.79Å; L96-L100 HydrophobicContact CB-CG 4.32Å; L96-L100 WeakPolarHBondContact O-CG 3.19Å; L96-L100 PolarHBondContact O-N 3.47Å; V97-L100 PolarHBondContact O-N 3.11Å; V97-L100 VanDerWaalsContact O-N 3.15Å; L100-Q102 VanDerWaalsContact C-N 3.27Å; L100-Q102 PolarHBondContact O-N 3.32Å; L100-A103 WeakPolarHBondContact O-CB 3.28Å; L100-A103 PolarHBondContact O-N 3.45Å; L100-A103 VanDerWaalsContact O-N 3.13Å; L100-L104 PolarHBondContact O-N 3.24Å; L100-L104 VanDerWaalsContact O-N 3.15Å; L100-L117 HydrophobicContact CD2-CD2 4.43Å; L100-T146 HydrophobicContact CD1-CG2 4.08Å; L100-L147 HydrophobicContact CD1-CD2 3.87Å; L100-L147 HydrophobicContact CD2-CD2 3.79Å; L100-L147 HydrophobicContact CG-CD2 4.44Å; L100-Y150 HydrophobicContact CB-CD1 3.91Å; L100-Y150 HydrophobicContact CB-CD2 4.12Å; L100-Y150 HydrophobicContact CB-CE1 3.47Å; L100-Y150 VanDerWaalsContact CB-CE1 3.47Å; L100-Y150 HydrophobicContact CB-CE2 3.68Å; L100-Y150 HydrophobicContact CB-CG 4.23Å; L100-Y150 HydrophobicContact CD1-CD2 3.71Å; L100-Y150 HydrophobicContact CD1-CE2 3.44Å; L100-Y150 VanDerWaalsContact CD1-CE2 3.44Å; L100-Y150 HydrophobicContact CD1-CG 4.46Å; L100-Y150 HydrophobicContact CG-CD2 4.37Å; L100-Y150 HydrophobicContact CG-CE2 4.15Å
101E98.4Very high97.8Very high80 Ų8052.4 Ų52.437%0.37426%0.26SS..Hα-helixtrans-62.3-34.8170.3-70.6-51.1128.400112.3V97 C99 R105 Y150V97-E101 HydrophobicContact CG1-CG 4.26Å; V97-E101 WeakPolarHBondContact O-CG 3.09Å; V97-E101 PolarHBondContact O-N 3.3Å; C99-E101 VanDerWaalsContact C-N 3.33Å; C99-E101 PolarHBondContact O-N 3.21Å; E101-R105 PolarHBondContact O-NH1 2.97Å; E101-Y150 WeakPolarHBondContact OE1-CE1 3.27Å; E101-Y150 PolarHBondContact OE1-OH 2.81Å
102Q98.4Very high97.8Very high46 Ų4652.6 Ų52.622%0.21526%0.258CS..Hα-helixtrans-66.3-41.9171.9-171.2-173.5-50.700111.4S74 G98 C99 L100 L104 R105 D106S74-Q102 PolarHBondContact O-NE2 3.29Å; G98-Q102 PolarHBondContact O-N 3.02Å; C99-Q102 WeakPolarHBondContact O-CA 3.38Å; C99-Q102 VanDerWaalsContact O-CB 3.31Å; C99-Q102 WeakPolarHBondContact O-CB 3.48Å; C99-Q102 PolarHBondContact O-N 2.93Å; L100-Q102 VanDerWaalsContact C-N 3.27Å; L100-Q102 PolarHBondContact O-N 3.32Å; Q102-L104 VanDerWaalsContact C-N 3.26Å; Q102-L104 PolarHBondContact O-N 2.86Å; Q102-R105 WeakPolarHBondContact O-CB 3.41Å; Q102-R105 PolarHBondContact O-N 2.9Å; Q102-D106 PolarHBondContact NE2-OD2 2.97Å; Q102-D106 VanDerWaalsContact NE2-OD2 3.1Å; Q102-D106 PolarHBondContact O-N 2.9Å
103A98.4Very high97.7Very high0 Ų056.6 Ų56.60%029%0.29CS..Hα-helixtrans-59.1-36.3177.500000113.2I42 M53 I55 C99 L100 R105 D106 V107 F152I42-A103 HydrophobicContact CD1-CB 3.93Å; M53-A103 HydrophobicContact CE-CB 3.84Å; M53-A103 HydrophobicContact SD-CB 3.94Å; I55-A103 HydrophobicContact CD1-CB 3.76Å; C99-A103 PolarHBondContact O-N 2.87Å; L100-A103 WeakPolarHBondContact O-CB 3.28Å; L100-A103 PolarHBondContact O-N 3.45Å; L100-A103 VanDerWaalsContact O-N 3.13Å; A103-R105 PolarHBondContact O-N 3.3Å; A103-D106 PolarHBondContact O-N 2.82Å; A103-V107 PolarHBondContact O-N 3.14Å; A103-F152 HydrophobicContact CB-CE2 3.83Å; A103-F152 HydrophobicContact CB-CZ 3.79Å
104L98.4Very high97.5Very high48 Ų4859.5 Ų59.525%0.25132%0.32SS..Hα-helixtrans-60.7-30.4174.9-70.6178.5000113.2L100 Q102 H112 Y150 P151 F152L100-L104 PolarHBondContact O-N 3.24Å; L100-L104 VanDerWaalsContact O-N 3.15Å; Q102-L104 VanDerWaalsContact C-N 3.26Å; Q102-L104 PolarHBondContact O-N 2.86Å; L104-H112 PolarHBondContact O-CE1 2.94Å; L104-H112 PolarHBondContact O-NE2 3.28Å; L104-Y150 HydrophobicContact CD1-CD1 4Å; L104-Y150 HydrophobicContact CD1-CE1 3.83Å; L104-Y150 HydrophobicContact CD2-CD1 4.27Å; L104-Y150 HydrophobicContact CG-CD1 4.08Å; L104-Y150 HydrophobicContact CG-CE1 4.23Å; L104-P151 HydrophobicContact CD2-CG 3.44Å; L104-P151 VanDerWaalsContact CD2-CG 3.44Å; L104-F152 HydrophobicContact CD2-CE2 4.04Å; L104-F152 HydrophobicContact CD2-CZ 3.93Å
105R98.1Very high97.4Very high171 Ų17153.3 Ų53.365%0.64529%0.292SS*.Hα-helixtrans-85.1-38.3177.9-62.5-173.2-64.8-87.75.8112.3E101 Q102 A103E101-R105 PolarHBondContact O-NH1 2.97Å; Q102-R105 WeakPolarHBondContact O-CB 3.41Å; Q102-R105 PolarHBondContact O-N 2.9Å; A103-R105 PolarHBondContact O-N 3.3Å
106D97.7Very high97.3Very high45 Ų4552.5 Ų52.524%0.24129%0.286CS..Hα-helixtrans-77.2-31.2-175-69.2-1.1000112.2I55 H72 S73 Q102 A103I55-D106 HydrophobicContact CD1-CB 3.7Å; H72-D106 PolarHBondContact NE2-O 2.96Å; S73-D106 VanDerWaalsContact CB-OD2 3.27Å; S73-D106 WeakPolarHBondContact CB-OD2 3.33Å; S73-D106 PolarHBondContact OG-OD2 3.34Å; Q102-D106 PolarHBondContact NE2-OD2 2.97Å; Q102-D106 VanDerWaalsContact NE2-OD2 3.1Å; Q102-D106 PolarHBondContact O-N 2.9Å; A103-D106 PolarHBondContact O-N 2.82Å
107V97.8Very high97.3Very high2 Ų252.5 Ų52.51%0.01229%0.286CS..SBendtrans-95.5131.4176.3-175.20000110Y40 I42 I55 A103 R111 H112 T115 F152Y40-V107 HydrophobicContact CD1-CG1 4.46Å; Y40-V107 HydrophobicContact CD1-CG2 4.38Å; Y40-V107 HydrophobicContact CD2-CG1 4.16Å; Y40-V107 HydrophobicContact CG-CG1 4.01Å; I42-V107 HydrophobicContact CD1-CG2 4.38Å; I55-V107 HydrophobicContact CD1-CG2 4.37Å; I55-V107 HydrophobicContact CG2-CG2 3.87Å; A103-V107 PolarHBondContact O-N 3.14Å; V107-R111 HydrophobicContact CG1-CB 4.04Å; V107-H112 PolarHBondContact O-CD2 2.77Å; V107-H112 PolarHBondContact O-NE2 3.27Å; V107-T115 HydrophobicContact CG1-CG2 4.41Å; V107-F152 HydrophobicContact CB-CE1 4.15Å; V107-F152 HydrophobicContact CG1-CE1 4.37Å; V107-F152 HydrophobicContact CG2-CE1 4.27Å
108P97Very high97.3Very high41 Ų4151.3 Ų51.327%0.26628%0.277SS..  trans-57.5139.6175.2-24.233.5000112.5Y40 E110 R111 H112Y40-P108 HydrophobicContact CE2-CG 4.06Å; P108-E110 VanDerWaalsContact C-N 3.3Å; P108-E110 WeakPolarHBondContact CB-OE1 3.04Å; P108-E110 PolarHBondContact O-N 2.96Å; P108-R111 HydrophobicContact CB-CB 4.48Å; P108-R111 HydrophobicContact CB-CG 4.22Å; P108-R111 WeakPolarHBondContact O-CA 3.46Å; P108-R111 WeakPolarHBondContact O-CB 3.19Å; P108-R111 PolarHBondContact O-N 2.75Å; P108-H112 PolarHBondContact O-CD2 3.29Å; P108-H112 PolarHBondContact O-N 2.99Å
109K96.8Very high97.3Very high173 Ų17348.9 Ų48.975%0.75225%0.252SS*.G310 helixtrans-57.3-41-172-173.1175.9-179.2177.30113R111 H112K109-R111 PolarHBondContact O-N 3.36Å; K109-H112 WeakPolarHBondContact O-CB 3Å; K109-H112 PolarHBondContact O-N 3.24Å
110E95.4Very high97.2Very high155 Ų15549 Ų4972%0.72425%0.253SS*.G310 helixtrans-66.5-13.9176.565.6-81.7-170.700113.7P108P108-E110 VanDerWaalsContact C-N 3.3Å; P108-E110 WeakPolarHBondContact CB-OE1 3.04Å; P108-E110 PolarHBondContact O-N 2.96Å
111R95.6Very high97.2Very high85 Ų8549 Ų4932%0.32125%0.253SS..G310 helixtrans-100.6-10.3176.8-62.4-66.2177.9174.7-6.4113.5Y40 V107 P108 K109 A113 G114 T115Y40-R111 HydrophobicContact CD2-CB 4.08Å; Y40-R111 HydrophobicContact CD2-CG 4.17Å; Y40-R111 HydrophobicContact CE2-CB 4.42Å; Y40-R111 HydrophobicContact CE2-CG 4.11Å; V107-R111 HydrophobicContact CG1-CB 4.04Å; P108-R111 HydrophobicContact CB-CB 4.48Å; P108-R111 HydrophobicContact CB-CG 4.22Å; P108-R111 WeakPolarHBondContact O-CA 3.46Å; P108-R111 WeakPolarHBondContact O-CB 3.19Å; P108-R111 PolarHBondContact O-N 2.75Å; K109-R111 PolarHBondContact O-N 3.36Å; R111-A113 PolarHBondContact O-N 2.78Å; R111-G114 PolarHBondContact O-N 3.42Å; R111-T115 WeakPolarHBondContact O-CB 3.48Å; R111-T115 PolarHBondContact O-N 2.84Å; R111-T115 VanDerWaalsContact O-N 3.08Å; R111-T115 PolarHBondContact O-OG1 3.29Å
112H97.6Very high97.1Very high18 Ų1845.5 Ų45.58%0.08324%0.237CC..G310 helixtrans-52.8-57.8-176.2-70.1178.6000112L104 V107 P108 K109 G114 T115 P151 F152L104-H112 PolarHBondContact O-CE1 2.94Å; L104-H112 PolarHBondContact O-NE2 3.28Å; V107-H112 PolarHBondContact O-CD2 2.77Å; V107-H112 PolarHBondContact O-NE2 3.27Å; P108-H112 PolarHBondContact O-CD2 3.29Å; P108-H112 PolarHBondContact O-N 2.99Å; K109-H112 WeakPolarHBondContact O-CB 3Å; K109-H112 PolarHBondContact O-N 3.24Å; H112-G114 PolarHBondContact O-N 3.35Å; H112-T115 WeakPolarHBondContact O-CB 3.02Å; H112-T115 PolarHBondContact O-N 3.21Å; H112-P151 CarbonylContact C-O 3.41Å; H112-P151 HydrophobicContact CB-CB 4.14Å; H112-P151 HydrophobicContact CB-CG 4.06Å; H112-F152 HydrophobicContact CB-CD1 4.25Å; H112-F152 HydrophobicContact CB-CE1 4.2Å; H112-F152 AromaticContact CD2-CE1 3.67Å; H112-F152 AromaticContact CG-CE1 3.97Å; H112-F152 WeakPolarHBondContact O-CA 3.44Å
113A96.4Very high96.9Very high83 Ų8343.4 Ų43.469%0.68623%0.227SC*.G310 helixtrans-61.8-22.2-176.400000114.5R111 P151R111-A113 PolarHBondContact O-N 2.78Å; A113-P151 WeakPolarHBondContact CA-O 3.36Å; A113-P151 PolarHBondContact N-O 3.17Å
114G92.3Very high96.8Very high62 Ų6243.7 Ų43.764%0.63923%0.231SC*.G310 helixtrans-99.3-0.4177.400000114.3R111 H112 P116R111-G114 PolarHBondContact O-N 3.42Å; H112-G114 PolarHBondContact O-N 3.35Å; G114-P116 WeakPolarHBondContact O-CD 3.17Å
115T96.4Very high96.8Very high1 Ų141.5 Ų41.51%0.00622%0.219CC..SBendtrans-93.1110.8-178.1-64.80000108.8I42 V107 R111 H112 F152 D153I42-T115 HydrophobicContact CD1-CG2 3.94Å; I42-T115 HydrophobicContact CG1-CG2 3.87Å; V107-T115 HydrophobicContact CG1-CG2 4.41Å; R111-T115 WeakPolarHBondContact O-CB 3.48Å; R111-T115 PolarHBondContact O-N 2.84Å; R111-T115 VanDerWaalsContact O-N 3.08Å; R111-T115 PolarHBondContact O-OG1 3.29Å; H112-T115 WeakPolarHBondContact O-CB 3.02Å; H112-T115 PolarHBondContact O-N 3.21Å; T115-F152 HydrophobicContact CG2-CD1 4.1Å; T115-F152 HydrophobicContact CG2-CE1 4.5Å; T115-D153 PolarHBondContact O-N 2.85Å
116P97Very high96.8Very high2 Ų235 Ų351%0.01320%0.195CC..EExtended strand (participates in β ladder)trans-73.2139.6-178.534.4-38.3000111.2Y40 I42 G114 Y118 D153 R155 I448Y40-P116 VanDerWaalsContact O-CD 3.26Å; Y40-P116 WeakPolarHBondContact O-CD 3.46Å; I42-P116 PolarHBondContact N-O 2.9Å; G114-P116 WeakPolarHBondContact O-CD 3.17Å; P116-Y118 HydrophobicContact CB-CD2 4.49Å; P116-Y118 HydrophobicContact CB-CE2 3.66Å; P116-Y118 HydrophobicContact CG-CE2 4.24Å; P116-D153 CarbonylContact C-O 3.43Å; P116-D153 VanDerWaalsContact CA-O 3.24Å; P116-D153 WeakPolarHBondContact CA-O 3.33Å; P116-R155 HydrophobicContact CB-CG 4.11Å; P116-I448 HydrophobicContact CG-CD1 4.25Å
117L98Very high96.7Very high0 Ų033.5 Ų33.50%019%0.187CC..EExtended strand (participates in β ladder)trans-122.4125.8-177.3172.265.5000109.7I42 L44 L100 L147 F152 D153 F154 R155I42-L117 HydrophobicContact CB-CD1 3.66Å; I42-L117 HydrophobicContact CD1-CD1 4.41Å; I42-L117 HydrophobicContact CG2-CD1 3.47Å; I42-L117 VanDerWaalsContact CG2-CD1 3.47Å; I42-L117 WeakPolarHBondContact O-CA 3.25Å; L44-L117 HydrophobicContact CD1-CD1 3.47Å; L44-L117 VanDerWaalsContact CD1-CD1 3.47Å; L100-L117 HydrophobicContact CD2-CD2 4.43Å; L117-L147 HydrophobicContact CD1-CD2 4.39Å; L117-L147 HydrophobicContact CD2-CB 4.31Å; L117-L147 HydrophobicContact CD2-CD2 3.83Å; L117-L147 HydrophobicContact CG-CD2 4.3Å; L117-F152 HydrophobicContact CB-CB 3.82Å; L117-F152 HydrophobicContact CD2-CB 4.02Å; L117-F152 HydrophobicContact CD2-CD2 4.14Å; L117-D153 PolarHBondContact N-O 2.86Å; L117-F154 HydrophobicContact CD2-CD2 4.42Å; L117-F154 HydrophobicContact CG-CD2 4.3Å; L117-R155 PolarHBondContact O-N 2.94Å
118Y97.6Very high96.6Very high12 Ų1234.5 Ų34.55%0.04719%0.192CC..EExtended strand (participates in β ladder)trans-130149.5179-59.9-98000111.1I42 V43 L44 P116 R155 Y440 M441 L444I42-Y118 PolarHBondContact O-N 3.49Å; V43-Y118 CarbonylContact C-O 3.45Å; V43-Y118 WeakPolarHBondContact CA-O 3.5Å; L44-Y118 PolarHBondContact N-O 3.35Å; P116-Y118 HydrophobicContact CB-CD2 4.49Å; P116-Y118 HydrophobicContact CB-CE2 3.66Å; P116-Y118 HydrophobicContact CG-CE2 4.24Å; Y118-R155 HydrophobicContact CD1-CB 3.57Å; Y118-R155 HydrophobicContact CD2-CB 4.49Å; Y118-R155 HydrophobicContact CE1-CB 3.09Å; Y118-R155 HydrophobicContact CE1-CG 3.88Å; Y118-R155 HydrophobicContact CE2-CB 4.08Å; Y118-R155 HydrophobicContact CE2-CG 4.11Å; Y118-R155 HydrophobicContact CG-CB 4.26Å; Y118-R155 WeakPolarHBondContact OH-CD 3.22Å; Y118-R155 PolarHBondContact OH-NH1 2.95Å; Y118-Y440 AromaticContact CD1-CE1 3.85Å; Y118-Y440 HydrophobicContact CD1-CE1 3.85Å; Y118-Y440 WeakPolarHBondContact CD1-OH 3.38Å; Y118-Y440 HydrophobicContact CD2-CE1 4.32Å; Y118-Y440 HydrophobicContact CE1-CE1 4.4Å; Y118-Y440 AromaticContact CG-CE1 3.78Å; Y118-Y440 HydrophobicContact CG-CE1 3.78Å; Y118-M441 HydrophobicContact CD2-CE 4.39Å; Y118-L444 HydrophobicContact CD1-CD1 4.14Å; Y118-L444 HydrophobicContact CD2-CD1 3.67Å; Y118-L444 HydrophobicContact CE1-CD1 3.72Å; Y118-L444 HydrophobicContact CE1-CD2 4.07Å; Y118-L444 HydrophobicContact CE2-CD1 3.23Å; Y118-L444 HydrophobicContact CE2-CG 4.43Å; Y118-L444 HydrophobicContact CG-CD1 4.1Å
119L98.3Very high96.6Very high2 Ų235.8 Ų35.81%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-120.5126.1163.8-175.3153.3000109L44 A46 I82 L96 A121 V143 L147 G156 A157 R158L44-L119 HydrophobicContact CB-CB 4.17Å; L44-L119 HydrophobicContact CB-CD1 4.14Å; L44-L119 HydrophobicContact CB-CG 4Å; A46-L119 HydrophobicContact CB-CD2 3.9Å; A46-L119 HydrophobicContact CB-CG 4.21Å; I82-L119 HydrophobicContact CD1-CD2 4.04Å; L96-L119 HydrophobicContact CD1-CD1 3.92Å; L119-A121 HydrophobicContact CD2-CB 4.34Å; L119-V143 HydrophobicContact CD1-CB 4.18Å; L119-V143 HydrophobicContact CD1-CG2 4.18Å; L119-L147 HydrophobicContact CB-CD1 3.87Å; L119-L147 HydrophobicContact CD1-CD1 3.97Å; L119-G156 PolarHBondContact N-O 3.2Å; L119-A157 HydrophobicContact CB-CB 4Å; L119-A157 HydrophobicContact CD2-CB 4.12Å; L119-A157 WeakPolarHBondContact O-CA 3.44Å; L119-R158 PolarHBondContact O-N 2.91Å
120G97.8Very high96.5Very high2 Ų233.1 Ų33.12%0.02119%0.19CC..EExtended strand (participates in β ladder)trans-116.2123171.200000109.8L44 A46 R158 W436L44-G120 PolarHBondContact O-N 3.49Å; A46-G120 PolarHBondContact N-O 3.42Å; G120-R158 CarbonylContact C-O 3.1Å; G120-R158 WeakPolarHBondContact CA-O 3.38Å; G120-W436 WeakPolarHBondContact O-CH2 3.39Å; G120-W436 VanDerWaalsContact O-CZ2 3.24Å; G120-W436 WeakPolarHBondContact O-CZ2 3.36Å
121A97.5Very high96.3Very high0 Ų029.8 Ų29.80%018%0.18CC..EExtended strand (participates in β ladder)trans-101.8142175.300000111.2A46 I82 L119 M125 R158 I159 L160A46-A121 HydrophobicContact CB-CB 4Å; A46-A121 WeakPolarHBondContact O-CA 3.25Å; I82-A121 HydrophobicContact CD1-CB 3.96Å; L119-A121 HydrophobicContact CD2-CB 4.34Å; A121-M125 HydrophobicContact CB-CB 3.72Å; A121-M125 HydrophobicContact CB-CG 3.49Å; A121-M125 VanDerWaalsContact CB-CG 3.49Å; A121-R158 PolarHBondContact N-O 3.47Å; A121-I159 CarbonylContact O-C 3.55Å; A121-I159 WeakPolarHBondContact O-CA 3.04Å; A121-L160 PolarHBondContact O-N 3.27Å
122T96.1Very high96.2Very high8 Ų829 Ų295%0.04918%0.182CC..  trans-107.3-141-172.561.40000112.2A46 G47 G124 M125 R126 E165 W436A46-T122 PolarHBondContact O-N 3.29Å; A46-T122 VanDerWaalsContact O-N 3.17Å; G47-T122 WeakPolarHBondContact CA-OG1 3.29Å; T122-G124 VanDerWaalsContact C-N 3.28Å; T122-G124 PolarHBondContact O-N 2.91Å; T122-M125 PolarHBondContact O-N 3.04Å; T122-R126 PolarHBondContact O-N 3.41Å; T122-R126 VanDerWaalsContact O-N 3.1Å; T122-E165 WeakPolarHBondContact CB-OE2 3.33Å; T122-E165 VanDerWaalsContact CG2-CD 3.45Å; T122-E165 HydrophobicContact CG2-CG 3.97Å; T122-W436 HydrophobicContact CG2-CZ2 4.18Å
123A95.7Very high96.2Very high1 Ų131.5 Ų31.51%0.00820%0.2CC..Hα-helixtrans-58.7-30.3-171.900000115R126 L127 A205 S206 L241A123-R126 PolarHBondContact O-N 3.25Å; A123-L127 WeakPolarHBondContact O-CG 3.36Å; A123-L127 PolarHBondContact O-N 2.92Å; A123-A205 HydrophobicContact CB-CB 3.51Å; A123-S206 WeakPolarHBondContact CB-OG 3.42Å; A123-L241 HydrophobicContact CB-CD1 3.79Å
124G95.7Very high96.2Very high7 Ų735 Ų357%0.07220%0.202CC..Hα-helixtrans-60.3-47.8177.200000112.3T122 L127 L128T122-G124 VanDerWaalsContact C-N 3.28Å; T122-G124 PolarHBondContact O-N 2.91Å; G124-L127 PolarHBondContact O-N 3.29Å; G124-L128 PolarHBondContact O-N 3.15Å
125M97.9Very high96.5Very high2 Ų232.4 Ų32.41%0.0118%0.175CC..Hα-helixtrans-72.7-30.4174.8-74-62-67.500112.6I82 A121 T122 L127 L128 N129 S136 V139 L140 I159I82-M125 HydrophobicContact CD1-CG 3.9Å; I82-M125 HydrophobicContact CD1-SD 4.21Å; I82-M125 HydrophobicContact CG1-CG 3.76Å; I82-M125 HydrophobicContact CG1-SD 3.9Å; A121-M125 HydrophobicContact CB-CB 3.72Å; A121-M125 HydrophobicContact CB-CG 3.49Å; A121-M125 VanDerWaalsContact CB-CG 3.49Å; T122-M125 PolarHBondContact O-N 3.04Å; M125-L127 VanDerWaalsContact C-N 3.34Å; M125-L128 HydrophobicContact CE-CD2 4.27Å; M125-L128 PolarHBondContact O-N 2.94Å; M125-L128 HydrophobicContact SD-CD2 3.84Å; M125-N129 WeakPolarHBondContact O-CB 3.24Å; M125-N129 PolarHBondContact O-N 3.13Å; M125-S136 WeakPolarHBondContact CE-O 3.26Å; M125-V139 HydrophobicContact CE-CB 4.1Å; M125-V139 HydrophobicContact CE-CG1 3.95Å; M125-V139 HydrophobicContact SD-CB 4.48Å; M125-V139 HydrophobicContact SD-CG1 3.93Å; M125-L140 HydrophobicContact CE-CD2 4.16Å; M125-L140 HydrophobicContact CE-CG 3.88Å; M125-I159 HydrophobicContact CB-CD1 3.96Å; M125-I159 HydrophobicContact CB-CG1 3.93Å; M125-I159 HydrophobicContact CB-CG2 4.34Å; M125-I159 HydrophobicContact CE-CD1 4.4Å
126R98.1Very high96.6Very high34 Ų3432.4 Ų32.413%0.12818%0.175CC..Hα-helixtrans-60-44.5170.6-68.4-174.7-86.3154.6-2.9111.3T122 A123 N129 L130 I159 L160 E165 S206 S239 L241T122-R126 PolarHBondContact O-N 3.41Å; T122-R126 VanDerWaalsContact O-N 3.1Å; A123-R126 PolarHBondContact O-N 3.25Å; R126-N129 PolarHBondContact O-N 2.77Å; R126-L130 WeakPolarHBondContact O-CG 3.36Å; R126-L130 PolarHBondContact O-N 3.2Å; R126-L130 VanDerWaalsContact O-N 3.14Å; R126-I159 HydrophobicContact CB-CG2 4.46Å; R126-I159 HydrophobicContact CG-CG2 3.44Å; R126-I159 VanDerWaalsContact CG-CG2 3.44Å; R126-L160 WeakPolarHBondContact CD-O 3.35Å; R126-E165 IonicContact CZ-OE2 3.63Å; R126-E165 IonicContact NH2-OE2 2.66Å; R126-E165 PolarHBondContact NH2-OE2 3.5Å; R126-S206 PolarHBondContact NH2-OG 2.84Å; R126-S239 PolarHBondContact NH1-OG 2.91Å; R126-L241 HydrophobicContact CB-CD1 4.47Å
127L96.3Very high96.6Very high14 Ų1436 Ų367%0.07320%0.197CC..Hα-helixtrans-64-47.6175.3-69.9175.7000111.6A123 G124 M125 N129 L130 T131 A205 L241 Q247 P283A123-L127 WeakPolarHBondContact O-CG 3.36Å; A123-L127 PolarHBondContact O-N 2.92Å; G124-L127 PolarHBondContact O-N 3.29Å; M125-L127 VanDerWaalsContact C-N 3.34Å; L127-N129 VanDerWaalsContact C-N 3.27Å; L127-N129 PolarHBondContact O-N 3.08Å; L127-L130 WeakPolarHBondContact O-CB 3.16Å; L127-L130 PolarHBondContact O-N 3.33Å; L127-L130 VanDerWaalsContact O-N 3.09Å; L127-T131 PolarHBondContact O-N 2.99Å; L127-T131 PolarHBondContact O-OG1 3.01Å; L127-A205 HydrophobicContact CD1-CB 3.73Å; L127-L241 HydrophobicContact CD2-CD1 4.09Å; L127-L241 HydrophobicContact CD2-CD2 4.04Å; L127-L241 HydrophobicContact CD2-CG 4.02Å; L127-L241 HydrophobicContact CG-CD1 4.18Å; L127-Q247 HydrophobicContact CD1-CG 4.03Å; L127-P283 HydrophobicContact CD2-CB 4.2Å; L127-P283 HydrophobicContact CD2-CG 4.28Å
128L96Very high96.6Very high22 Ų2238.7 Ų38.712%0.11522%0.216CC..Hα-helixtrans-58.8-41.2177-17959.5000111.5A86 G124 M125 L130 T131 N132 A135 V139A86-L128 HydrophobicContact CB-CD1 3.69Å; A86-L128 HydrophobicContact CB-CD2 3.97Å; G124-L128 PolarHBondContact O-N 3.15Å; M125-L128 HydrophobicContact CE-CD2 4.27Å; M125-L128 PolarHBondContact O-N 2.94Å; M125-L128 HydrophobicContact SD-CD2 3.84Å; L128-L130 VanDerWaalsContact C-N 3.27Å; L128-L130 PolarHBondContact O-N 3.01Å; L128-T131 PolarHBondContact O-N 3.49Å; L128-N132 HydrophobicContact CD1-CB 4.36Å; L128-N132 CarbonylContact O-C 3.55Å; L128-N132 VanDerWaalsContact O-C 3.29Å; L128-N132 WeakPolarHBondContact O-CA 3.22Å; L128-N132 PolarHBondContact O-N 3.23Å; L128-A135 HydrophobicContact CD1-CB 4.16Å; L128-V139 HydrophobicContact CD2-CG2 4.35Å
129N97.2Very high96.7Very high69 Ų6938.1 Ų38.137%0.36921%0.214SC..Hα-helixtrans-66-28.3178.3-163.765.5000113.2M125 R126 L127 P133 S136 I159M125-N129 WeakPolarHBondContact O-CB 3.24Å; M125-N129 PolarHBondContact O-N 3.13Å; R126-N129 PolarHBondContact O-N 2.77Å; L127-N129 VanDerWaalsContact C-N 3.27Å; L127-N129 PolarHBondContact O-N 3.08Å; N129-P133 WeakPolarHBondContact O-CG 3.45Å; N129-S136 PolarHBondContact OD1-OG 3.46Å; N129-S136 VanDerWaalsContact OD1-OG 3.12Å; N129-I159 HydrophobicContact CB-CD1 4.09Å
130L94Very high96.7Very high116 Ų11639.5 Ų39.561%0.60722%0.221SC*.Hα-helixtrans-75.3-38.2173.1-69.7171000111.9R126 L127 L128 L241R126-L130 WeakPolarHBondContact O-CG 3.36Å; R126-L130 PolarHBondContact O-N 3.2Å; R126-L130 VanDerWaalsContact O-N 3.14Å; L127-L130 WeakPolarHBondContact O-CB 3.16Å; L127-L130 PolarHBondContact O-N 3.33Å; L127-L130 VanDerWaalsContact O-N 3.09Å; L128-L130 VanDerWaalsContact C-N 3.27Å; L128-L130 PolarHBondContact O-N 3.01Å; L130-L241 HydrophobicContact CD1-CD2 3.84Å
131T90.5Very high96.7Very high86 Ų8643.6 Ų43.653%0.52825%0.246SC..Hα-helixtrans-80.4-46.8-178.4-480000112.9L127 L128 P283L127-T131 PolarHBondContact O-N 2.99Å; L127-T131 PolarHBondContact O-OG1 3.01Å; L128-T131 PolarHBondContact O-N 3.49Å; T131-P283 WeakPolarHBondContact OG1-CD 3.16Å; T131-P283 WeakPolarHBondContact OG1-CG 3.29Å
132N94.7Very high96.8Very high68 Ų6844.4 Ų44.436%0.36425%0.252SS..  trans-147.486.3-173.1-171.3-19.4000110.5L128 E134 A135 S136L128-N132 HydrophobicContact CD1-CB 4.36Å; L128-N132 CarbonylContact O-C 3.55Å; L128-N132 VanDerWaalsContact O-C 3.29Å; L128-N132 WeakPolarHBondContact O-CA 3.22Å; L128-N132 PolarHBondContact O-N 3.23Å; N132-E134 PolarHBondContact O-N 2.64Å; N132-E134 PolarHBondContact OD1-N 3.31Å; N132-A135 HydrophobicContact CB-CB 3.98Å; N132-A135 VanDerWaalsContact CG-CB 3.45Å; N132-A135 PolarHBondContact O-N 2.83Å; N132-A135 PolarHBondContact OD1-N 3Å; N132-S136 PolarHBondContact O-N 3.41Å
133P96.6Very high96.9Very high70 Ų7044 Ų4446%0.45525%0.25SC..Hα-helixtrans-57.8-32.4178.8-22.629.8000114.4N129 T137N129-P133 WeakPolarHBondContact O-CG 3.45Å; P133-T137 WeakPolarHBondContact O-CB 3.19Å; P133-T137 PolarHBondContact O-N 3.31Å; P133-T137 PolarHBondContact O-OG1 2.89Å
134E97.6Very high97Very high157 Ų15746.2 Ų46.273%0.73426%0.263SS*.Hα-helixtrans-69.6-43.8179.1-66.7-177.417900111.2N132 T137 S138N132-E134 PolarHBondContact O-N 2.64Å; N132-E134 PolarHBondContact OD1-N 3.31Å; E134-T137 PolarHBondContact O-N 2.95Å; E134-S138 WeakPolarHBondContact O-CB 3.46Å; E134-S138 PolarHBondContact O-N 2.72Å; E134-S138 PolarHBondContact O-OG 3.1Å
135A97.4Very high97.2Very high8 Ų851.7 Ų51.77%0.06629%0.287CS..Hα-helixtrans-64.3-42.7174.600000111.5A86 L128 N132 T137 S138 V139A86-A135 HydrophobicContact CB-CB 4.25Å; L128-A135 HydrophobicContact CD1-CB 4.16Å; N132-A135 HydrophobicContact CB-CB 3.98Å; N132-A135 VanDerWaalsContact CG-CB 3.45Å; N132-A135 PolarHBondContact O-N 2.83Å; N132-A135 PolarHBondContact OD1-N 3Å; A135-T137 VanDerWaalsContact C-N 3.33Å; A135-T137 PolarHBondContact O-N 3Å; A135-S138 PolarHBondContact O-N 3.18Å; A135-V139 WeakPolarHBondContact O-CG2 3.44Å; A135-V139 PolarHBondContact O-N 2.63Å
136S97.9Very high97.2Very high0 Ų052.6 Ų52.60%029%0.292CS..Hα-helixtrans-55-48.71731750000111.6M125 N129 N132 S138 V139 L140M125-S136 WeakPolarHBondContact CE-O 3.26Å; N129-S136 PolarHBondContact OD1-OG 3.46Å; N129-S136 VanDerWaalsContact OD1-OG 3.12Å; N132-S136 PolarHBondContact O-N 3.41Å; S136-S138 PolarHBondContact O-N 2.58Å; S136-V139 PolarHBondContact O-N 3.03Å; S136-L140 WeakPolarHBondContact O-CG 3.4Å; S136-L140 PolarHBondContact O-N 2.96Å
137T98.3Very high97.2Very high79 Ų7951 Ų5149%0.48529%0.286SS..Hα-helixtrans-61.5-45.3176.9-58.70000111.2P133 E134 A135 V139 L140 T141P133-T137 WeakPolarHBondContact O-CB 3.19Å; P133-T137 PolarHBondContact O-N 3.31Å; P133-T137 PolarHBondContact O-OG1 2.89Å; E134-T137 PolarHBondContact O-N 2.95Å; A135-T137 VanDerWaalsContact C-N 3.33Å; A135-T137 PolarHBondContact O-N 3Å; T137-V139 PolarHBondContact O-N 2.67Å; T137-L140 PolarHBondContact O-N 3.44Å; T137-T141 WeakPolarHBondContact O-CB 3.32Å; T137-T141 PolarHBondContact O-N 3.18Å; T137-T141 PolarHBondContact O-OG1 2.82Å
138S98.4Very high97.3Very high56 Ų5653.7 Ų53.739%0.39230%0.304SS..Hα-helixtrans-61.7-41.5-179.4-600000112.3E134 A135 S136 T141 A142E134-S138 WeakPolarHBondContact O-CB 3.46Å; E134-S138 PolarHBondContact O-N 2.72Å; E134-S138 PolarHBondContact O-OG 3.1Å; A135-S138 PolarHBondContact O-N 3.18Å; S136-S138 PolarHBondContact O-N 2.58Å; S138-T141 PolarHBondContact O-N 3.06Å; S138-A142 WeakPolarHBondContact O-CB 3.42Å; S138-A142 PolarHBondContact O-N 2.98Å
139V98.6Very high97.4Very high0 Ų058.9 Ų58.90%033%0.327CS..Hα-helixtrans-62.8-47.3174168.30000110.9I82 P89 A92 M125 L128 A135 S136 T137 T141 A142 V143I82-V139 HydrophobicContact CB-CG1 4.03Å; I82-V139 HydrophobicContact CD1-CG1 4.16Å; I82-V139 HydrophobicContact CG1-CG1 4.11Å; I82-V139 WeakPolarHBondContact O-CG1 3.44Å; P89-V139 HydrophobicContact CB-CG2 4.24Å; P89-V139 HydrophobicContact CG-CG2 4.44Å; A92-V139 HydrophobicContact CB-CG1 3.94Å; M125-V139 HydrophobicContact CE-CB 4.1Å; M125-V139 HydrophobicContact CE-CG1 3.95Å; M125-V139 HydrophobicContact SD-CB 4.48Å; M125-V139 HydrophobicContact SD-CG1 3.93Å; L128-V139 HydrophobicContact CD2-CG2 4.35Å; A135-V139 WeakPolarHBondContact O-CG2 3.44Å; A135-V139 PolarHBondContact O-N 2.63Å; S136-V139 PolarHBondContact O-N 3.03Å; T137-V139 PolarHBondContact O-N 2.67Å; V139-T141 VanDerWaalsContact C-N 3.32Å; V139-T141 PolarHBondContact O-N 3.08Å; V139-A142 PolarHBondContact O-N 3.3Å; V139-V143 PolarHBondContact O-N 3.06Å
140L98.6Very high97.5Very high31 Ų3156.9 Ų56.916%0.16232%0.315CS..Hα-helixtrans-62.2-38.5177.2-71176.2000112.4M125 S136 T137 V143 T144 I159M125-L140 HydrophobicContact CE-CD2 4.16Å; M125-L140 HydrophobicContact CE-CG 3.88Å; S136-L140 WeakPolarHBondContact O-CG 3.4Å; S136-L140 PolarHBondContact O-N 2.96Å; T137-L140 PolarHBondContact O-N 3.44Å; L140-V143 VanDerWaalsContact O-CG2 3.24Å; L140-V143 WeakPolarHBondContact O-CG2 3.45Å; L140-T144 WeakPolarHBondContact O-CB 3.49Å; L140-T144 PolarHBondContact O-N 2.97Å; L140-T144 PolarHBondContact O-OG1 3.23Å; L140-I159 HydrophobicContact CD1-CD1 4.12Å; L140-I159 HydrophobicContact CD1-CG1 4.01Å
141T98.4Very high97.7Very high88 Ų8854.5 Ų54.554%0.5431%0.306SS..Hα-helixtrans-64.2-44.2174.9-61.70000111.1T137 S138 V139 T144 H145T137-T141 WeakPolarHBondContact O-CB 3.32Å; T137-T141 PolarHBondContact O-N 3.18Å; T137-T141 PolarHBondContact O-OG1 2.82Å; S138-T141 PolarHBondContact O-N 3.06Å; V139-T141 VanDerWaalsContact C-N 3.32Å; V139-T141 PolarHBondContact O-N 3.08Å; T141-T144 PolarHBondContact O-N 3.25Å; T141-H145 WeakPolarHBondContact O-CB 3.31Å; T141-H145 PolarHBondContact O-N 3.21Å
142A98.6Very high98.1Very high17 Ų1751 Ų5114%0.1428%0.283CS..Hα-helixtrans-64.1-46.6179.800000112.4P89 S138 V139 T144 H145 T146P89-A142 HydrophobicContact CB-CB 4.2Å; P89-A142 WeakPolarHBondContact O-CB 3.07Å; S138-A142 WeakPolarHBondContact O-CB 3.42Å; S138-A142 PolarHBondContact O-N 2.98Å; V139-A142 PolarHBondContact O-N 3.3Å; A142-T144 VanDerWaalsContact C-N 3.32Å; A142-T144 PolarHBondContact O-N 3.13Å; A142-H145 PolarHBondContact O-N 2.96Å; A142-T146 PolarHBondContact O-N 3.28Å; A142-T146 VanDerWaalsContact O-N 3.13Å; A142-T146 PolarHBondContact O-OG1 3.41Å
143V98.5Very high98.2Very high0 Ų050.5 Ų50.50%028%0.281CS..Hα-helixtrans-64.8-38.2175.8-58.80000111.6I82 A92 L96 L119 V139 L140 H145 T146 L147 A157I82-V143 HydrophobicContact CG2-CG1 4.32Å; A92-V143 HydrophobicContact CB-CG1 3.83Å; L96-V143 HydrophobicContact CD1-CB 4Å; L96-V143 HydrophobicContact CD1-CG1 4.03Å; L119-V143 HydrophobicContact CD1-CB 4.18Å; L119-V143 HydrophobicContact CD1-CG2 4.18Å; V139-V143 PolarHBondContact O-N 3.06Å; L140-V143 VanDerWaalsContact O-CG2 3.24Å; L140-V143 WeakPolarHBondContact O-CG2 3.45Å; V143-H145 VanDerWaalsContact C-N 3.34Å; V143-H145 PolarHBondContact O-N 2.65Å; V143-T146 PolarHBondContact O-N 3.38Å; V143-L147 WeakPolarHBondContact O-CB 3.39Å; V143-L147 WeakPolarHBondContact O-CD1 3.25Å; V143-L147 WeakPolarHBondContact O-CG 3.3Å; V143-L147 PolarHBondContact O-N 2.9Å; V143-A157 HydrophobicContact CG2-CB 4.01Å
144T98.6Very high98.2Very high47 Ų4749.2 Ų49.229%0.28827%0.268SS..Hα-helixtrans-61.8-43175.4-65.40000111.4L140 T141 A142 T146 L147 T148 F154L140-T144 WeakPolarHBondContact O-CB 3.49Å; L140-T144 PolarHBondContact O-N 2.97Å; L140-T144 PolarHBondContact O-OG1 3.23Å; T141-T144 PolarHBondContact O-N 3.25Å; A142-T144 VanDerWaalsContact C-N 3.32Å; A142-T144 PolarHBondContact O-N 3.13Å; T144-T146 VanDerWaalsContact C-N 3.34Å; T144-T146 PolarHBondContact O-N 3.41Å; T144-L147 PolarHBondContact O-N 2.88Å; T144-T148 HydrophobicContact CG2-CG2 4.35Å; T144-T148 VanDerWaalsContact O-CG2 3.28Å; T144-T148 WeakPolarHBondContact O-CG2 3.38Å; T144-T148 PolarHBondContact O-N 2.78Å; T144-T148 PolarHBondContact O-OG1 3.15Å; T144-F154 HydrophobicContact CG2-CE1 3.75Å; T144-F154 HydrophobicContact CG2-CZ 4.07Å
145H98.4Very high98.1Very high122 Ų12246.7 Ų46.757%0.56525%0.252SS*.Hα-helixtrans-60.2-44.8177.2179.769.9000111.5T141 A142 V143 T148 Q149T141-H145 WeakPolarHBondContact O-CB 3.31Å; T141-H145 PolarHBondContact O-N 3.21Å; A142-H145 PolarHBondContact O-N 2.96Å; V143-H145 VanDerWaalsContact C-N 3.34Å; V143-H145 PolarHBondContact O-N 2.65Å; H145-T148 PolarHBondContact O-OG1 3.43Å; H145-Q149 WeakPolarHBondContact O-CG 3.26Å; H145-Q149 PolarHBondContact O-NE2 3.17Å
146T98.6Very high98Very high21 Ų2147.5 Ų47.513%0.12926%0.261CS..Hα-helixtrans-65.1-47.8176.4-58.30000112.1G93 V97 L100 A142 V143 T144 T148 Q149 Y150G93-T146 VanDerWaalsContact CA-OG1 3.26Å; G93-T146 WeakPolarHBondContact CA-OG1 3.05Å; G93-T146 WeakPolarHBondContact O-CG2 3.44Å; V97-T146 HydrophobicContact CG2-CG2 4.1Å; L100-T146 HydrophobicContact CD1-CG2 4.08Å; A142-T146 PolarHBondContact O-N 3.28Å; A142-T146 VanDerWaalsContact O-N 3.13Å; A142-T146 PolarHBondContact O-OG1 3.41Å; V143-T146 PolarHBondContact O-N 3.38Å; T144-T146 VanDerWaalsContact C-N 3.34Å; T144-T146 PolarHBondContact O-N 3.41Å; T146-T148 VanDerWaalsContact C-N 3.26Å; T146-T148 PolarHBondContact O-N 2.93Å; T146-Q149 WeakPolarHBondContact O-CB 3.31Å; T146-Q149 PolarHBondContact O-N 3.33Å; T146-Q149 VanDerWaalsContact O-N 3.09Å; T146-Y150 HydrophobicContact CG2-CE2 4.31Å; T146-Y150 WeakPolarHBondContact O-CD2 3.35Å
147L98.4Very high98Very high0 Ų048.5 Ų48.50%027%0.269CS..Hα-helixtrans-64.2-30.6-176.1-67.8165.4000112.5L44 L96 L100 L117 L119 V143 T144 Q149 Y150 F154L44-L147 HydrophobicContact CD1-CD2 3.97Å; L96-L147 HydrophobicContact CD1-CD1 4.47Å; L96-L147 HydrophobicContact CD1-CD2 4.28Å; L96-L147 HydrophobicContact CD1-CG 4.31Å; L100-L147 HydrophobicContact CD1-CD2 3.87Å; L100-L147 HydrophobicContact CD2-CD2 3.79Å; L100-L147 HydrophobicContact CG-CD2 4.44Å; L117-L147 HydrophobicContact CD1-CD2 4.39Å; L117-L147 HydrophobicContact CD2-CB 4.31Å; L117-L147 HydrophobicContact CD2-CD2 3.83Å; L117-L147 HydrophobicContact CG-CD2 4.3Å; L119-L147 HydrophobicContact CB-CD1 3.87Å; L119-L147 HydrophobicContact CD1-CD1 3.97Å; V143-L147 WeakPolarHBondContact O-CB 3.39Å; V143-L147 WeakPolarHBondContact O-CD1 3.25Å; V143-L147 WeakPolarHBondContact O-CG 3.3Å; V143-L147 PolarHBondContact O-N 2.9Å; T144-L147 PolarHBondContact O-N 2.88Å; L147-Q149 VanDerWaalsContact C-N 3.27Å; L147-Q149 PolarHBondContact O-N 3.1Å; L147-Y150 PolarHBondContact O-N 2.76Å; L147-F154 HydrophobicContact CB-CD2 3.74Å; L147-F154 HydrophobicContact CB-CE2 3.75Å; L147-F154 HydrophobicContact CB-CG 4.31Å; L147-F154 HydrophobicContact CB-CZ 4.33Å; L147-F154 HydrophobicContact CD1-CD2 4.27Å; L147-F154 HydrophobicContact CD1-CE2 3.61Å; L147-F154 HydrophobicContact CD1-CZ 4.31Å; L147-F154 HydrophobicContact CG-CE2 4.3Å
148T98.3Very high97.9Very high71 Ų7149.6 Ų49.644%0.43627%0.265SS..THydrogen-bonded Turntrans-74.3-12.4176.652.30000114.1T144 H145 T146 Y150 F154T144-T148 HydrophobicContact CG2-CG2 4.35Å; T144-T148 VanDerWaalsContact O-CG2 3.28Å; T144-T148 WeakPolarHBondContact O-CG2 3.38Å; T144-T148 PolarHBondContact O-N 2.78Å; T144-T148 PolarHBondContact O-OG1 3.15Å; H145-T148 PolarHBondContact O-OG1 3.43Å; T146-T148 VanDerWaalsContact C-N 3.26Å; T146-T148 PolarHBondContact O-N 2.93Å; T148-Y150 VanDerWaalsContact C-N 3.31Å; T148-F154 HydrophobicContact CG2-CD1 3.49Å; T148-F154 VanDerWaalsContact CG2-CD1 3.49Å; T148-F154 HydrophobicContact CG2-CE1 3.89Å; T148-F154 HydrophobicContact CG2-CG 4.28Å
149Q98.3Very high97.8Very high131 Ų13149.1 Ų49.161%0.61226%0.257SS*.THydrogen-bonded Turntrans-78.7-14.6173.7-55.8-50.8-58.900113.1H145 T146 L147H145-Q149 WeakPolarHBondContact O-CG 3.26Å; H145-Q149 PolarHBondContact O-NE2 3.17Å; T146-Q149 WeakPolarHBondContact O-CB 3.31Å; T146-Q149 PolarHBondContact O-N 3.33Å; T146-Q149 VanDerWaalsContact O-N 3.09Å; L147-Q149 VanDerWaalsContact C-N 3.27Å; L147-Q149 PolarHBondContact O-N 3.1Å
150Y98.4Very high97.7Very high27 Ų2749.1 Ų49.111%0.10626%0.257CS..SBendtrans-91.3150.3-177.6-77.3-93.1000111.7L100 E101 L104 T146 L147 T148 F152L100-Y150 HydrophobicContact CB-CD1 3.91Å; L100-Y150 HydrophobicContact CB-CD2 4.12Å; L100-Y150 HydrophobicContact CB-CE1 3.47Å; L100-Y150 VanDerWaalsContact CB-CE1 3.47Å; L100-Y150 HydrophobicContact CB-CE2 3.68Å; L100-Y150 HydrophobicContact CB-CG 4.23Å; L100-Y150 HydrophobicContact CD1-CD2 3.71Å; L100-Y150 HydrophobicContact CD1-CE2 3.44Å; L100-Y150 VanDerWaalsContact CD1-CE2 3.44Å; L100-Y150 HydrophobicContact CD1-CG 4.46Å; L100-Y150 HydrophobicContact CG-CD2 4.37Å; L100-Y150 HydrophobicContact CG-CE2 4.15Å; E101-Y150 WeakPolarHBondContact OE1-CE1 3.27Å; E101-Y150 PolarHBondContact OE1-OH 2.81Å; L104-Y150 HydrophobicContact CD1-CD1 4Å; L104-Y150 HydrophobicContact CD1-CE1 3.83Å; L104-Y150 HydrophobicContact CD2-CD1 4.27Å; L104-Y150 HydrophobicContact CG-CD1 4.08Å; L104-Y150 HydrophobicContact CG-CE1 4.23Å; T146-Y150 HydrophobicContact CG2-CE2 4.31Å; T146-Y150 WeakPolarHBondContact O-CD2 3.35Å; L147-Y150 PolarHBondContact O-N 2.76Å; T148-Y150 VanDerWaalsContact C-N 3.31Å; Y150-F152 HydrophobicContact CD1-CE2 4.49Å; Y150-F152 PolarHBondContact O-N 2.82Å
151P98.2Very high97.6Very high65 Ų6549.8 Ų49.842%0.42226%0.264SS..SBendtrans-76.917.9-172.534.9-38.5000114.2L104 H112 A113L104-P151 HydrophobicContact CD2-CG 3.44Å; L104-P151 VanDerWaalsContact CD2-CG 3.44Å; H112-P151 CarbonylContact C-O 3.41Å; H112-P151 HydrophobicContact CB-CB 4.14Å; H112-P151 HydrophobicContact CB-CG 4.06Å; A113-P151 WeakPolarHBondContact CA-O 3.36Å; A113-P151 PolarHBondContact N-O 3.17Å
152F98.4Very high97.3Very high12 Ų1245.8 Ų45.85%0.05324%0.241CC..SBendtrans-91.1158.2179.1-58.5-61.9000111I42 A103 L104 V107 H112 T115 L117 Y150 F154I42-F152 HydrophobicContact CD1-CD1 3.88Å; I42-F152 HydrophobicContact CD1-CD2 3.96Å; I42-F152 HydrophobicContact CD1-CE1 3.8Å; I42-F152 HydrophobicContact CD1-CE2 3.88Å; I42-F152 HydrophobicContact CD1-CG 3.97Å; I42-F152 HydrophobicContact CD1-CZ 3.8Å; A103-F152 HydrophobicContact CB-CE2 3.83Å; A103-F152 HydrophobicContact CB-CZ 3.79Å; L104-F152 HydrophobicContact CD2-CE2 4.04Å; L104-F152 HydrophobicContact CD2-CZ 3.93Å; V107-F152 HydrophobicContact CB-CE1 4.15Å; V107-F152 HydrophobicContact CG1-CE1 4.37Å; V107-F152 HydrophobicContact CG2-CE1 4.27Å; H112-F152 HydrophobicContact CB-CD1 4.25Å; H112-F152 HydrophobicContact CB-CE1 4.2Å; H112-F152 AromaticContact CD2-CE1 3.67Å; H112-F152 AromaticContact CG-CE1 3.97Å; H112-F152 WeakPolarHBondContact O-CA 3.44Å; T115-F152 HydrophobicContact CG2-CD1 4.1Å; T115-F152 HydrophobicContact CG2-CE1 4.5Å; L117-F152 HydrophobicContact CB-CB 3.82Å; L117-F152 HydrophobicContact CD2-CB 4.02Å; L117-F152 HydrophobicContact CD2-CD2 4.14Å; Y150-F152 HydrophobicContact CD1-CE2 4.49Å; Y150-F152 PolarHBondContact O-N 2.82Å; F152-F154 VanDerWaalsContact C-N 3.28Å; F152-F154 PolarHBondContact O-N 3.23Å
153D97.1Very high97Very high58 Ų5848.2 Ų48.231%0.3125%0.249SC..EExtended strand (participates in β ladder)trans-73.881.4174.4171.127.3000109.7T115 P116 L117 R155T115-D153 PolarHBondContact O-N 2.85Å; P116-D153 CarbonylContact C-O 3.43Å; P116-D153 VanDerWaalsContact CA-O 3.24Å; P116-D153 WeakPolarHBondContact CA-O 3.33Å; L117-D153 PolarHBondContact N-O 2.86Å; D153-R155 VanDerWaalsContact O-CG 3.25Å; D153-R155 WeakPolarHBondContact O-CG 3.35Å; D153-R155 PolarHBondContact O-N 2.94Å; D153-R155 IonicContact OD1-NE 2.84Å; D153-R155 IonicContact OD2-CZ 2.72Å; D153-R155 VanDerWaalsContact OD2-CZ 3.25Å; D153-R155 IonicContact OD2-NE 3.25Å; D153-R155 PolarHBondContact OD2-NE 3.15Å; D153-R155 IonicContact OD2-NH2 3.51Å; D153-R155 PolarHBondContact OD2-NH2 2.98Å
154F97.8Very high96.8Very high44 Ų4450.6 Ų50.619%0.19326%0.261CS..EExtended strand (participates in β ladder)trans-68.1118.8-179.7175-110.5000111.3L117 T144 L147 T148 F152 G156 A157L117-F154 HydrophobicContact CD2-CD2 4.42Å; L117-F154 HydrophobicContact CG-CD2 4.3Å; T144-F154 HydrophobicContact CG2-CE1 3.75Å; T144-F154 HydrophobicContact CG2-CZ 4.07Å; L147-F154 HydrophobicContact CB-CD2 3.74Å; L147-F154 HydrophobicContact CB-CE2 3.75Å; L147-F154 HydrophobicContact CB-CG 4.31Å; L147-F154 HydrophobicContact CB-CZ 4.33Å; L147-F154 HydrophobicContact CD1-CD2 4.27Å; L147-F154 HydrophobicContact CD1-CE2 3.61Å; L147-F154 HydrophobicContact CD1-CZ 4.31Å; L147-F154 HydrophobicContact CG-CE2 4.3Å; T148-F154 HydrophobicContact CG2-CD1 3.49Å; T148-F154 VanDerWaalsContact CG2-CD1 3.49Å; T148-F154 HydrophobicContact CG2-CE1 3.89Å; T148-F154 HydrophobicContact CG2-CG 4.28Å; F152-F154 VanDerWaalsContact C-N 3.28Å; F152-F154 PolarHBondContact O-N 3.23Å; F154-G156 VanDerWaalsContact CE2-C 3.4Å; F154-A157 HydrophobicContact CE2-CB 4.5Å; F154-A157 HydrophobicContact CZ-CB 4.16Å
155R95.3Very high96.6Very high103 Ų10348.7 Ų48.739%0.38925%0.248SC..EExtended strand (participates in β ladder)trans-110.78.6-172.6-61.7-121.9-164.9141.9-8.4113.9P116 L117 Y118 D153P116-R155 HydrophobicContact CB-CG 4.11Å; L117-R155 PolarHBondContact O-N 2.94Å; Y118-R155 HydrophobicContact CD1-CB 3.57Å; Y118-R155 HydrophobicContact CD2-CB 4.49Å; Y118-R155 HydrophobicContact CE1-CB 3.09Å; Y118-R155 HydrophobicContact CE1-CG 3.88Å; Y118-R155 HydrophobicContact CE2-CB 4.08Å; Y118-R155 HydrophobicContact CE2-CG 4.11Å; Y118-R155 HydrophobicContact CG-CB 4.26Å; Y118-R155 WeakPolarHBondContact OH-CD 3.22Å; Y118-R155 PolarHBondContact OH-NH1 2.95Å; D153-R155 VanDerWaalsContact O-CG 3.25Å; D153-R155 WeakPolarHBondContact O-CG 3.35Å; D153-R155 PolarHBondContact O-N 2.94Å; D153-R155 IonicContact OD1-NE 2.84Å; D153-R155 IonicContact OD2-CZ 2.72Å; D153-R155 VanDerWaalsContact OD2-CZ 3.25Å; D153-R155 IonicContact OD2-NE 3.25Å; D153-R155 PolarHBondContact OD2-NE 3.15Å; D153-R155 IonicContact OD2-NH2 3.51Å; D153-R155 PolarHBondContact OD2-NH2 2.98Å
156G94.6Very high96.4Very high26 Ų2643.1 Ų43.127%0.26822%0.223SC..EExtended strand (participates in β ladder)trans119.2155.6172.900000114.7L119 F154L119-G156 PolarHBondContact N-O 3.2Å; F154-G156 VanDerWaalsContact CE2-C 3.4Å
157A97.4Very high96.3Very high20 Ų2042.3 Ų42.317%0.16522%0.218CC..EExtended strand (participates in β ladder)trans-112.4124.3169.700000108.2L119 V143 F154L119-A157 HydrophobicContact CB-CB 4Å; L119-A157 HydrophobicContact CD2-CB 4.12Å; L119-A157 WeakPolarHBondContact O-CA 3.44Å; V143-A157 HydrophobicContact CG2-CB 4.01Å; F154-A157 HydrophobicContact CE2-CB 4.5Å; F154-A157 HydrophobicContact CZ-CB 4.16Å
158R96.4Very high96.1Very high103 Ų10342.8 Ų42.839%0.38922%0.221SC..EExtended strand (participates in β ladder)trans-141.5156-175.575.9-169.2-160.1-171.816112.9L119 G120 A121 L160 E164 Y440L119-R158 PolarHBondContact O-N 2.91Å; G120-R158 CarbonylContact C-O 3.1Å; G120-R158 WeakPolarHBondContact CA-O 3.38Å; A121-R158 PolarHBondContact N-O 3.47Å; R158-L160 HydrophobicContact CG-CD1 4.12Å; R158-E164 IonicContact CZ-OE1 3.66Å; R158-E164 IonicContact NH2-OE1 2.68Å; R158-E164 PolarHBondContact NH2-OE1 3.29Å; R158-Y440 VanDerWaalsContact CZ-OH 3.29Å; R158-Y440 PolarHBondContact NH1-OH 2.93Å
159I97.8Very high95.8Very high45 Ų4539.5 Ų39.523%0.23120%0.2CC..EExtended strand (participates in β ladder)trans-86.4118.7169.5-53.9175.7000107.6A121 M125 R126 N129 L140A121-I159 CarbonylContact O-C 3.55Å; A121-I159 WeakPolarHBondContact O-CA 3.04Å; M125-I159 HydrophobicContact CB-CD1 3.96Å; M125-I159 HydrophobicContact CB-CG1 3.93Å; M125-I159 HydrophobicContact CB-CG2 4.34Å; M125-I159 HydrophobicContact CE-CD1 4.4Å; R126-I159 HydrophobicContact CB-CG2 4.46Å; R126-I159 HydrophobicContact CG-CG2 3.44Å; R126-I159 VanDerWaalsContact CG-CG2 3.44Å; N129-I159 HydrophobicContact CB-CD1 4.09Å; L140-I159 HydrophobicContact CD1-CD1 4.12Å; L140-I159 HydrophobicContact CD1-CG1 4.01Å
160L95.9Very high95.7Very high1 Ų133.2 Ų33.21%0.00517%0.171CC..PPolyproline II helixtrans-70141175.8-88.168.4000110A121 R126 R158 E164 F168 W436A121-L160 PolarHBondContact O-N 3.27Å; R126-L160 WeakPolarHBondContact CD-O 3.35Å; R158-L160 HydrophobicContact CG-CD1 4.12Å; L160-E164 HydrophobicContact CB-CB 4.37Å; L160-E164 HydrophobicContact CD2-CB 4.28Å; L160-E164 HydrophobicContact CG-CB 4.26Å; L160-F168 HydrophobicContact CD2-CD2 4.37Å; L160-W436 HydrophobicContact CD1-CH2 4.31Å; L160-W436 HydrophobicContact CD1-CZ3 4.38Å; L160-W436 HydrophobicContact CD2-CD2 3.82Å; L160-W436 HydrophobicContact CD2-CE3 3.54Å; L160-W436 HydrophobicContact CD2-CH2 4.23Å; L160-W436 HydrophobicContact CD2-CZ2 4.38Å; L160-W436 HydrophobicContact CD2-CZ3 3.79Å
161S95.4Very high95.4Very high44 Ų4432.1 Ų32.131%0.30817%0.167SC..PPolyproline II helixtrans-64.4155.8162.864.50000110.2Q163 E164 E165S161-Q163 PolarHBondContact O-N 3.27Å; S161-E164 WeakPolarHBondContact CB-OE2 3.42Å; S161-E164 PolarHBondContact N-OE2 2.78Å; S161-E164 PolarHBondContact O-N 3.05Å; S161-E164 WeakPolarHBondContact OG-CB 3.19Å; S161-E164 WeakPolarHBondContact OG-CG 3.1Å; S161-E164 PolarHBondContact OG-N 3.21Å; S161-E164 PolarHBondContact OG-OE2 3.26Å; S161-E165 PolarHBondContact O-N 3.32Å; S161-E165 VanDerWaalsContact O-N 3.11Å
162G93.3Very high95.1Very high5 Ų529 Ų295%0.05215%0.147CC..Hα-helixtrans-62.5-31.5176.400000112.7G166G162-G166 PolarHBondContact O-N 3.31Å; G162-G166 VanDerWaalsContact O-N 3.14Å
163Q92.4Very high94.7Very high67 Ų6728.4 Ų28.431%0.31315%0.145SC..Hα-helixtrans-64.6-48.1175.1-66.784.5-11.600111.5S161 E165 G166 V167 A221 T237S161-Q163 PolarHBondContact O-N 3.27Å; Q163-E165 PolarHBondContact O-N 3.47Å; Q163-G166 PolarHBondContact O-N 2.99Å; Q163-V167 VanDerWaalsContact O-CB 3.28Å; Q163-V167 WeakPolarHBondContact O-CB 3.38Å; Q163-V167 VanDerWaalsContact O-CG2 3.28Å; Q163-V167 WeakPolarHBondContact O-CG2 3.22Å; Q163-V167 PolarHBondContact O-N 3.43Å; Q163-A221 WeakPolarHBondContact CG-O 3.45Å; Q163-A221 PolarHBondContact NE2-O 3.45Å; Q163-A221 VanDerWaalsContact NE2-O 3.15Å; Q163-T237 HydrophobicContact CB-CG2 3.79Å; Q163-T237 HydrophobicContact CG-CG2 3.84Å
164E93.3Very high94.3Very high51 Ų5125.7 Ų25.724%0.23813%0.13CC..Hα-helixtrans-58.7-47.1176.9-78.2169.9118.900111.4R158 L160 S161 G166 V167 F168R158-E164 IonicContact CZ-OE1 3.66Å; R158-E164 IonicContact NH2-OE1 2.68Å; R158-E164 PolarHBondContact NH2-OE1 3.29Å; L160-E164 HydrophobicContact CB-CB 4.37Å; L160-E164 HydrophobicContact CD2-CB 4.28Å; L160-E164 HydrophobicContact CG-CB 4.26Å; S161-E164 WeakPolarHBondContact CB-OE2 3.42Å; S161-E164 PolarHBondContact N-OE2 2.78Å; S161-E164 PolarHBondContact O-N 3.05Å; S161-E164 WeakPolarHBondContact OG-CB 3.19Å; S161-E164 WeakPolarHBondContact OG-CG 3.1Å; S161-E164 PolarHBondContact OG-N 3.21Å; S161-E164 PolarHBondContact OG-OE2 3.26Å; E164-G166 PolarHBondContact O-N 2.89Å; E164-V167 PolarHBondContact O-N 3.11Å; E164-F168 HydrophobicContact CB-CD2 3.96Å; E164-F168 HydrophobicContact CB-CE2 3.69Å; E164-F168 HydrophobicContact CG-CE2 3.86Å; E164-F168 WeakPolarHBondContact O-CB 3.36Å; E164-F168 WeakPolarHBondContact O-CD2 3.35Å; E164-F168 WeakPolarHBondContact O-CG 3.41Å; E164-F168 PolarHBondContact O-N 3.47Å
165E94.8Very high93.9Very high7 Ų724.8 Ų24.83%0.03313%0.125CC..Hα-helixtrans-57.8-49.6179.4-168.3178.8156.800111.6T122 R126 S161 Q163 G169 Q208 W436T122-E165 WeakPolarHBondContact CB-OE2 3.33Å; T122-E165 VanDerWaalsContact CG2-CD 3.45Å; T122-E165 HydrophobicContact CG2-CG 3.97Å; R126-E165 IonicContact CZ-OE2 3.63Å; R126-E165 IonicContact NH2-OE2 2.66Å; R126-E165 PolarHBondContact NH2-OE2 3.5Å; S161-E165 PolarHBondContact O-N 3.32Å; S161-E165 VanDerWaalsContact O-N 3.11Å; Q163-E165 PolarHBondContact O-N 3.47Å; E165-G169 PolarHBondContact O-N 3.03Å; E165-Q208 PolarHBondContact OE1-NE2 2.99Å; E165-Q208 PolarHBondContact OE2-NE2 3.3Å; E165-W436 HydrophobicContact CG-CG 4.28Å; E165-W436 WeakPolarHBondContact O-CB 3.36Å
166G95.3Very high93.4Very high4 Ų420.7 Ų20.74%0.04111%0.111CC..Hα-helixtrans-65-45.7178.100000113G162 Q163 E164 G169 W170 T210G162-G166 PolarHBondContact O-N 3.31Å; G162-G166 VanDerWaalsContact O-N 3.14Å; Q163-G166 PolarHBondContact O-N 2.99Å; E164-G166 PolarHBondContact O-N 2.89Å; G166-G169 PolarHBondContact O-N 3.46Å; G166-W170 PolarHBondContact O-N 3.35Å; G166-T210 WeakPolarHBondContact CA-OG1 3.24Å; G166-T210 PolarHBondContact O-OG1 2.73Å
167V95Very high92.8Very high4 Ų422.5 Ų22.52%0.02411%0.114CC..Hα-helixtrans-64.1-46.9-179.4165.40000112Q163 E164 G169 W170 V171 T210 V224 L226 V235 T237Q163-V167 VanDerWaalsContact O-CB 3.28Å; Q163-V167 WeakPolarHBondContact O-CB 3.38Å; Q163-V167 VanDerWaalsContact O-CG2 3.28Å; Q163-V167 WeakPolarHBondContact O-CG2 3.22Å; Q163-V167 PolarHBondContact O-N 3.43Å; E164-V167 PolarHBondContact O-N 3.11Å; V167-G169 VanDerWaalsContact C-N 3.3Å; V167-G169 PolarHBondContact O-N 3.43Å; V167-W170 WeakPolarHBondContact O-CB 3.48Å; V167-W170 PolarHBondContact O-N 2.96Å; V167-V171 WeakPolarHBondContact O-CG2 3.45Å; V167-V171 PolarHBondContact O-N 3.15Å; V167-T210 HydrophobicContact CG2-CG2 4.25Å; V167-V224 HydrophobicContact CG1-CG1 4.32Å; V167-V224 HydrophobicContact CG2-CB 3.92Å; V167-V224 HydrophobicContact CG2-CG1 4.03Å; V167-V224 HydrophobicContact CG2-CG2 3.92Å; V167-L226 HydrophobicContact CG1-CD1 3.47Å; V167-L226 VanDerWaalsContact CG1-CD1 3.47Å; V167-L226 HydrophobicContact CG1-CD2 3.8Å; V167-L226 HydrophobicContact CG1-CG 4.11Å; V167-V235 HydrophobicContact CG2-CG1 4.47Å; V167-T237 HydrophobicContact CG2-CG2 3.79Å
168F94Very high92.1Very high11 Ų1125.4 Ų25.45%0.04812%0.124CC..Hα-helixtrans-69-31.7179.2-65.1-47.4000111.7L160 E164 V171 T172 W436 G439 Y440 N443L160-F168 HydrophobicContact CD2-CD2 4.37Å; E164-F168 HydrophobicContact CB-CD2 3.96Å; E164-F168 HydrophobicContact CB-CE2 3.69Å; E164-F168 HydrophobicContact CG-CE2 3.86Å; E164-F168 WeakPolarHBondContact O-CB 3.36Å; E164-F168 WeakPolarHBondContact O-CD2 3.35Å; E164-F168 WeakPolarHBondContact O-CG 3.41Å; E164-F168 PolarHBondContact O-N 3.47Å; F168-V171 PolarHBondContact O-N 3.38Å; F168-T172 PolarHBondContact O-N 2.66Å; F168-T172 PolarHBondContact O-OG1 3.1Å; F168-T172 VanDerWaalsContact O-OG1 3.07Å; F168-W436 HydrophobicContact CB-CB 3.88Å; F168-W436 WeakPolarHBondContact CB-O 3.37Å; F168-G439 WeakPolarHBondContact O-CA 3.21Å; F168-Y440 AromaticContact CD2-CD2 3.8Å; F168-Y440 HydrophobicContact CD2-CD2 3.8Å; F168-Y440 HydrophobicContact CD2-CG 4.49Å; F168-Y440 AromaticContact CE2-CD2 3.51Å; F168-Y440 HydrophobicContact CE2-CD2 3.51Å; F168-Y440 HydrophobicContact CE2-CE2 4.18Å; F168-Y440 HydrophobicContact CG-CD2 4.47Å; F168-Y440 AromaticContact CZ-CD2 3.94Å; F168-Y440 HydrophobicContact CZ-CD2 3.94Å; F168-N443 HydrophobicContact CD1-CB 4.48Å; F168-N443 HydrophobicContact CE1-CB 3.75Å
169G93.3Very high91.4Very high1 Ų121.1 Ų21.11%0.0111%0.109CC..Hα-helixtrans-60.1-44.2168.400000112.5E165 G166 V167 T172 A173E165-G169 PolarHBondContact O-N 3.03Å; G166-G169 PolarHBondContact O-N 3.46Å; V167-G169 VanDerWaalsContact C-N 3.3Å; V167-G169 PolarHBondContact O-N 3.43Å; G169-T172 WeakPolarHBondContact O-CB 3.3Å; G169-T172 PolarHBondContact O-N 3.04Å; G169-A173 PolarHBondContact O-N 3.07Å
170W94.9Very high90.5Very high0 Ų019.4 Ų19.40%010%0.1CC..Hα-helixtrans-62.7-41.2174.9176.790000113.2G166 V167 A173 N174 F180 T196 L197 A199 T210 E212 L226 Y233 V235G166-W170 PolarHBondContact O-N 3.35Å; V167-W170 WeakPolarHBondContact O-CB 3.48Å; V167-W170 PolarHBondContact O-N 2.96Å; W170-A173 PolarHBondContact O-N 2.8Å; W170-N174 VanDerWaalsContact CE2-ND2 3.32Å; W170-N174 PolarHBondContact NE1-ND2 3.13Å; W170-N174 PolarHBondContact O-N 3.45Å; W170-N174 VanDerWaalsContact O-N 3.11Å; W170-N174 PolarHBondContact O-ND2 3.41Å; W170-F180 HydrophobicContact CE3-CZ 4.21Å; W170-F180 AromaticContact CH2-CE1 3.73Å; W170-F180 HydrophobicContact CH2-CE1 3.73Å; W170-F180 AromaticContact CH2-CZ 3.74Å; W170-F180 HydrophobicContact CH2-CZ 3.74Å; W170-F180 HydrophobicContact CZ2-CE1 4.45Å; W170-F180 HydrophobicContact CZ2-CZ 4.5Å; W170-F180 HydrophobicContact CZ3-CE1 4.03Å; W170-F180 AromaticContact CZ3-CZ 3.57Å; W170-F180 HydrophobicContact CZ3-CZ 3.57Å; W170-T196 HydrophobicContact CH2-CG2 4.02Å; W170-T196 HydrophobicContact CZ2-CG2 3.61Å; W170-T196 WeakPolarHBondContact CZ2-OG1 3.02Å; W170-L197 PolarHBondContact NE1-O 3.43Å; W170-A199 HydrophobicContact CB-CB 3.87Å; W170-A199 HydrophobicContact CG-CB 4.44Å; W170-T210 HydrophobicContact CB-CG2 3.49Å; W170-T210 VanDerWaalsContact CB-CG2 3.49Å; W170-T210 HydrophobicContact CG-CG2 3.8Å; W170-E212 HydrophobicContact CZ2-CB 4.24Å; W170-L226 HydrophobicContact CE3-CD1 4.1Å; W170-L226 HydrophobicContact CZ3-CD1 3.84Å; W170-Y233 AromaticContact CH2-CD1 3.83Å; W170-Y233 HydrophobicContact CH2-CD1 3.83Å; W170-Y233 HydrophobicContact CH2-CE1 4.49Å; W170-Y233 AromaticContact CH2-CG 3.9Å; W170-Y233 HydrophobicContact CH2-CG 3.9Å; W170-V235 HydrophobicContact CD2-CG1 4.49Å; W170-V235 HydrophobicContact CD2-CG2 4.44Å; W170-V235 HydrophobicContact CE3-CG2 4.22Å; W170-V235 HydrophobicContact CH2-CG2 3.88Å; W170-V235 HydrophobicContact CZ2-CG2 4.08Å; W170-V235 HydrophobicContact CZ3-CG2 3.95Å
171V92.9Very high89.4Confident3 Ų319.9 Ų19.92%0.01810%0.103CC..Hα-helixtrans-62-47.8174.91740000110.4V167 F168 A173 N174 Y175 F180 L226 L228 L442V167-V171 WeakPolarHBondContact O-CG2 3.45Å; V167-V171 PolarHBondContact O-N 3.15Å; F168-V171 PolarHBondContact O-N 3.38Å; V171-A173 PolarHBondContact O-N 2.8Å; V171-N174 PolarHBondContact O-N 3.45Å; V171-Y175 WeakPolarHBondContact O-CB 3.03Å; V171-Y175 PolarHBondContact O-N 3.47Å; V171-F180 HydrophobicContact CG1-CE2 4.12Å; V171-F180 WeakPolarHBondContact O-CE2 3.4Å; V171-L226 HydrophobicContact CG2-CD1 3.97Å; V171-L228 HydrophobicContact CB-CD1 4.46Å; V171-L228 HydrophobicContact CG1-CD1 3.9Å; V171-L228 HydrophobicContact CG2-CD1 3.75Å; V171-L442 HydrophobicContact CG1-CB 4.4Å; V171-L442 HydrophobicContact CG1-CD1 3.93Å
172T91.3Very high87.9Confident0 Ų022.1 Ų22.10%011%0.107CC..Hα-helixtrans-55-51.1177.1-64.80000111.7F168 G169 N174 Y175 L176 G435 L438 G439F168-T172 PolarHBondContact O-N 2.66Å; F168-T172 PolarHBondContact O-OG1 3.1Å; F168-T172 VanDerWaalsContact O-OG1 3.07Å; G169-T172 WeakPolarHBondContact O-CB 3.3Å; G169-T172 PolarHBondContact O-N 3.04Å; T172-N174 PolarHBondContact O-N 3.29Å; T172-Y175 PolarHBondContact O-N 3.04Å; T172-L176 HydrophobicContact CG2-CD1 3.65Å; T172-L176 HydrophobicContact CG2-CG 4.3Å; T172-L176 WeakPolarHBondContact O-CB 3.48Å; T172-L176 WeakPolarHBondContact O-CG 3.39Å; T172-L176 PolarHBondContact O-N 3.13Å; T172-G435 WeakPolarHBondContact CB-O 3.48Å; T172-G435 VanDerWaalsContact CG2-O 3.24Å; T172-G435 WeakPolarHBondContact CG2-O 3.24Å; T172-G435 PolarHBondContact OG1-O 3.24Å; T172-L438 HydrophobicContact CG2-CB 3.92Å; T172-L438 HydrophobicContact CG2-CD2 4.1Å; T172-L438 HydrophobicContact CG2-CG 4.45Å; T172-G439 PolarHBondContact OG1-N 2.59Å
173A90.1Very high86.3Confident0 Ų027.8 Ų27.80%013%0.127CC..Hα-helixtrans-61.4-46.6-176.400000112G169 W170 V171 Y175 L177 I343 V434G169-A173 PolarHBondContact O-N 3.07Å; W170-A173 PolarHBondContact O-N 2.8Å; V171-A173 PolarHBondContact O-N 2.8Å; A173-Y175 VanDerWaalsContact C-N 3.34Å; A173-Y175 PolarHBondContact O-N 3.31Å; A173-L177 WeakPolarHBondContact O-CB 3.36Å; A173-L177 VanDerWaalsContact O-CG 3.28Å; A173-L177 WeakPolarHBondContact O-CG 3.35Å; A173-L177 PolarHBondContact O-N 2.95Å; A173-L177 VanDerWaalsContact O-N 3.15Å; A173-I343 HydrophobicContact CB-CG2 3.56Å; A173-V434 HydrophobicContact CB-CG1 4.11Å
174N89.8Confident84.6Confident0 Ų025 Ų250%012%0.117CC..Hα-helixtrans-70-31.8179.5-80.1-72.9000113.4W170 V171 T172 E178 N179 F180 T196 L197W170-N174 VanDerWaalsContact CE2-ND2 3.32Å; W170-N174 PolarHBondContact NE1-ND2 3.13Å; W170-N174 PolarHBondContact O-N 3.45Å; W170-N174 VanDerWaalsContact O-N 3.11Å; W170-N174 PolarHBondContact O-ND2 3.41Å; V171-N174 PolarHBondContact O-N 3.45Å; T172-N174 PolarHBondContact O-N 3.29Å; N174-E178 PolarHBondContact O-N 3.29Å; N174-N179 HydrophobicContact CB-CB 4.26Å; N174-N179 WeakPolarHBondContact O-CB 3.29Å; N174-N179 PolarHBondContact O-N 3.08Å; N174-N179 PolarHBondContact OD1-ND2 3.43Å; N174-F180 HydrophobicContact CB-CD1 4.34Å; N174-F180 HydrophobicContact CB-CD2 4.14Å; N174-F180 HydrophobicContact CB-CE1 3.75Å; N174-F180 HydrophobicContact CB-CE2 3.5Å; N174-F180 HydrophobicContact CB-CZ 3.29Å; N174-T196 VanDerWaalsContact OD1-CA 3.26Å; N174-T196 WeakPolarHBondContact OD1-CA 3.06Å; N174-T196 VanDerWaalsContact OD1-CB 3.31Å; N174-T196 WeakPolarHBondContact OD1-CB 3.07Å; N174-L197 PolarHBondContact ND2-O 2.65Å; N174-L197 PolarHBondContact OD1-N 2.88Å
175Y87.9Confident82.5Confident25 Ų2535.3 Ų35.310%0.09815%0.154CC..Hα-helixtrans-68.3-49.7175176.4-96.7000111.7I68 V69 V171 T172 A173 L177 E178 Y229 L438 L442I68-Y175 VanDerWaalsContact C-OH 3.28Å; I68-Y175 WeakPolarHBondContact CA-OH 3.33Å; I68-Y175 WeakPolarHBondContact CG2-OH 3.49Å; V69-Y175 PolarHBondContact N-OH 3.41Å; V69-Y175 WeakPolarHBondContact O-CE1 3.5Å; V69-Y175 PolarHBondContact O-OH 3.08Å; V171-Y175 WeakPolarHBondContact O-CB 3.03Å; V171-Y175 PolarHBondContact O-N 3.47Å; T172-Y175 PolarHBondContact O-N 3.04Å; A173-Y175 VanDerWaalsContact C-N 3.34Å; A173-Y175 PolarHBondContact O-N 3.31Å; Y175-L177 PolarHBondContact O-N 3.38Å; Y175-E178 PolarHBondContact O-N 3.14Å; Y175-Y229 HydrophobicContact CD2-CE2 4.31Å; Y175-Y229 WeakPolarHBondContact CD2-OH 3.4Å; Y175-Y229 WeakPolarHBondContact CE2-OH 3.49Å; Y175-L438 HydrophobicContact CD1-CD2 3.7Å; Y175-L438 HydrophobicContact CD1-CG 4.37Å; Y175-L438 HydrophobicContact CE1-CD2 4.11Å; Y175-L442 HydrophobicContact CD1-CD1 3.79Å; Y175-L442 HydrophobicContact CD2-CD1 3.77Å; Y175-L442 HydrophobicContact CD2-CD2 4.11Å; Y175-L442 HydrophobicContact CE1-CD1 4.39Å; Y175-L442 HydrophobicContact CE2-CD1 4.39Å; Y175-L442 HydrophobicContact CE2-CD2 3.99Å; Y175-L442 HydrophobicContact CG-CD1 3.43Å; Y175-L442 VanDerWaalsContact CG-CD1 3.43Å; Y175-L442 HydrophobicContact CG-CD2 4.47Å
176L85.3Confident80.3Confident18 Ų1841 Ų419%0.09419%0.189CC..Hα-helixtrans-66.2-25.4-179.4-68.2173.9000113.4T172 E178 A429 T432 V434 L438T172-L176 HydrophobicContact CG2-CD1 3.65Å; T172-L176 HydrophobicContact CG2-CG 4.3Å; T172-L176 WeakPolarHBondContact O-CB 3.48Å; T172-L176 WeakPolarHBondContact O-CG 3.39Å; T172-L176 PolarHBondContact O-N 3.13Å; L176-E178 VanDerWaalsContact C-N 3.29Å; L176-A429 HydrophobicContact CB-CB 3.57Å; L176-A429 HydrophobicContact CD1-CB 4.05Å; L176-A429 HydrophobicContact CG-CB 4.45Å; L176-T432 HydrophobicContact CD1-CG2 3.77Å; L176-T432 HydrophobicContact CD2-CG2 3.8Å; L176-T432 HydrophobicContact CG-CG2 4.42Å; L176-V434 HydrophobicContact CD1-CG2 4.38Å; L176-L438 HydrophobicContact CD1-CD2 4.19Å; L176-L438 HydrophobicContact CD2-CD2 3.63Å; L176-L438 HydrophobicContact CG-CD2 3.8Å
177L83.3Confident78.2Confident63 Ų6342.7 Ų42.733%0.3321%0.206SC..THydrogen-bonded Turntrans-89.79.9175.1-65.1175.2000113.4A173 Y175 N179 L197 I343 A429A173-L177 WeakPolarHBondContact O-CB 3.36Å; A173-L177 VanDerWaalsContact O-CG 3.28Å; A173-L177 WeakPolarHBondContact O-CG 3.35Å; A173-L177 PolarHBondContact O-N 2.95Å; A173-L177 VanDerWaalsContact O-N 3.15Å; Y175-L177 PolarHBondContact O-N 3.38Å; L177-N179 PolarHBondContact O-N 2.58Å; L177-L197 HydrophobicContact CD1-CD1 4Å; L177-L197 HydrophobicContact CD1-CD2 3.76Å; L177-L197 HydrophobicContact CD1-CG 4.43Å; L177-I343 HydrophobicContact CD1-CD1 4.5Å; L177-A429 HydrophobicContact CD2-CB 4.03Å; L177-A429 HydrophobicContact CG-CB 4.33Å
178E81.9Confident76.2Confident81 Ų8151.7 Ų51.738%0.37924%0.24SC..THydrogen-bonded Turntrans56.629.3179.6-55.8-169.5131.600113.7N174 Y175 L176 I181 K182 P192N174-E178 PolarHBondContact O-N 3.29Å; Y175-E178 PolarHBondContact O-N 3.14Å; L176-E178 VanDerWaalsContact C-N 3.29Å; E178-I181 CarbonylContact C-O 3.47Å; E178-I181 VanDerWaalsContact CA-O 3.3Å; E178-I181 WeakPolarHBondContact CA-O 3.48Å; E178-I181 WeakPolarHBondContact CB-O 3.43Å; E178-K182 HydrophobicContact CB-CB 4.45Å; E178-P192 WeakPolarHBondContact O-CG 3.5Å
179N81.9Confident74.7Confident14 Ų1455.5 Ų55.58%0.07525%0.254CS..SBendtrans-78.2-29.8-179.8-69.9-30.5000112.6N174 L177 L197N174-N179 HydrophobicContact CB-CB 4.26Å; N174-N179 WeakPolarHBondContact O-CB 3.29Å; N174-N179 PolarHBondContact O-N 3.08Å; N174-N179 PolarHBondContact OD1-ND2 3.43Å; L177-N179 PolarHBondContact O-N 2.58Å; N179-L197 WeakPolarHBondContact ND2-CD1 3.43Å
180F78.8Confident73.2Confident9 Ų960.2 Ų60.24%0.03927%0.274CS..SBendtrans-80.5-38.4175.4-59.9-41.3000112.4W170 V171 N174 T196 L228 Y229 Y233W170-F180 HydrophobicContact CE3-CZ 4.21Å; W170-F180 AromaticContact CH2-CE1 3.73Å; W170-F180 HydrophobicContact CH2-CE1 3.73Å; W170-F180 AromaticContact CH2-CZ 3.74Å; W170-F180 HydrophobicContact CH2-CZ 3.74Å; W170-F180 HydrophobicContact CZ2-CE1 4.45Å; W170-F180 HydrophobicContact CZ2-CZ 4.5Å; W170-F180 HydrophobicContact CZ3-CE1 4.03Å; W170-F180 AromaticContact CZ3-CZ 3.57Å; W170-F180 HydrophobicContact CZ3-CZ 3.57Å; V171-F180 HydrophobicContact CG1-CE2 4.12Å; V171-F180 WeakPolarHBondContact O-CE2 3.4Å; N174-F180 HydrophobicContact CB-CD1 4.34Å; N174-F180 HydrophobicContact CB-CD2 4.14Å; N174-F180 HydrophobicContact CB-CE1 3.75Å; N174-F180 HydrophobicContact CB-CE2 3.5Å; N174-F180 HydrophobicContact CB-CZ 3.29Å; F180-T196 HydrophobicContact CD1-CG2 4.47Å; F180-T196 HydrophobicContact CE1-CG2 3.9Å; F180-L228 HydrophobicContact CE2-CD1 3.97Å; F180-L228 HydrophobicContact CZ-CD1 3.96Å; F180-Y229 HydrophobicContact CB-CD2 3.84Å; F180-Y229 HydrophobicContact CB-CE2 3.96Å; F180-Y229 HydrophobicContact CD2-CE2 4.33Å; F180-Y229 HydrophobicContact CG-CD2 4.49Å; F180-Y229 HydrophobicContact CG-CE2 4.5Å; F180-Y233 HydrophobicContact CD1-CE1 4.15Å; F180-Y233 HydrophobicContact CD1-CE2 4.2Å; F180-Y233 AromaticContact CD1-CZ 3.65Å; F180-Y233 WeakPolarHBondContact CD1-OH 3.39Å; F180-Y233 HydrophobicContact CE1-CD1 4.49Å; F180-Y233 AromaticContact CE1-CE1 3.95Å; F180-Y233 HydrophobicContact CE1-CE1 3.95Å; F180-Y233 HydrophobicContact CE1-CE2 4.15Å; F180-Y233 AromaticContact CE1-CZ 3.76Å
181I72.3Confident71.7Confident11 Ų1166.8 Ų66.86%0.05630%0.299CS..  trans-154.1144.2-173.9-151.7175.5000110.4E63 I68 E178 W189 Y229E63-I181 HydrophobicContact CB-CD1 4.33Å; E63-I181 HydrophobicContact CG-CD1 3.63Å; I68-I181 HydrophobicContact CD1-CD1 4.08Å; I68-I181 HydrophobicContact CD1-CG2 3.97Å; E178-I181 CarbonylContact C-O 3.47Å; E178-I181 VanDerWaalsContact CA-O 3.3Å; E178-I181 WeakPolarHBondContact CA-O 3.48Å; E178-I181 WeakPolarHBondContact CB-O 3.43Å; I181-W189 HydrophobicContact CD1-CB 3.54Å; I181-W189 HydrophobicContact CD1-CD2 4.23Å; I181-W189 HydrophobicContact CD1-CE3 4.23Å; I181-W189 HydrophobicContact CD1-CG 3.96Å; I181-W189 HydrophobicContact CG1-CB 3.9Å; I181-W189 HydrophobicContact CG1-CE3 4.17Å; I181-W189 HydrophobicContact CG2-CE3 4.1Å; I181-W189 HydrophobicContact CG2-CZ3 4.41Å; I181-Y229 HydrophobicContact CD1-CD1 4.18Å; I181-Y229 HydrophobicContact CD1-CE1 4.42Å
182K64.3Low70.2Confident90 Ų9068.2 Ų68.239%0.39131%0.308SS..EExtended strand (participates in β ladder)trans-129.4140.5176.3-179.2164.2-175170.80111.6E178 W189 F190 P192E178-K182 HydrophobicContact CB-CB 4.45Å; K182-W189 CarbonylContact O-C 3.59Å; K182-W189 WeakPolarHBondContact O-CA 3.44Å; K182-F190 HydrophobicContact CB-CE1 4.13Å; K182-F190 HydrophobicContact CB-CZ 4.14Å; K182-F190 HydrophobicContact CD-CE1 4.25Å; K182-F190 HydrophobicContact CD-CZ 3.81Å; K182-F190 HydrophobicContact CG-CE1 3.88Å; K182-F190 HydrophobicContact CG-CZ 3.91Å; K182-F190 PolarHBondContact N-O 3.16Å; K182-F190 WeakPolarHBondContact O-CD1 3.38Å; K182-F190 PolarHBondContact O-N 3.4Å; K182-P192 HydrophobicContact CB-CG 4.2Å
183Y59.4Low68.5Low124 Ų12480.8 Ų80.849%0.48636%0.356SS..EExtended strand (participates in β ladder)trans-77.3123.7172.8-159-117.6000110.7G187 W189Y183-G187 WeakPolarHBondContact OH-CA 3.41Å; Y183-W189 VanDerWaalsContact CB-CZ3 3.49Å; Y183-W189 AromaticContact CD2-CD2 3.56Å; Y183-W189 HydrophobicContact CD2-CD2 3.56Å; Y183-W189 AromaticContact CD2-CE2 3.34Å; Y183-W189 AromaticContact CD2-CE3 3.81Å; Y183-W189 HydrophobicContact CD2-CE3 3.81Å; Y183-W189 HydrophobicContact CD2-CG 4.19Å; Y183-W189 AromaticContact CD2-CH2 3.63Å; Y183-W189 HydrophobicContact CD2-CH2 3.63Å; Y183-W189 AromaticContact CD2-CZ2 3.38Å; Y183-W189 HydrophobicContact CD2-CZ2 3.38Å; Y183-W189 AromaticContact CD2-CZ3 3.86Å; Y183-W189 HydrophobicContact CD2-CZ3 3.86Å; Y183-W189 AromaticContact CD2-NE1 3.93Å; Y183-W189 HydrophobicContact CE2-CD2 4.31Å; Y183-W189 AromaticContact CE2-CE2 3.78Å; Y183-W189 AromaticContact CE2-CZ2 3.88Å; Y183-W189 HydrophobicContact CE2-CZ2 3.88Å; Y183-W189 AromaticContact CE2-NE1 3.93Å; Y183-W189 HydrophobicContact CG-CE3 4.34Å; Y183-W189 HydrophobicContact CG-CH2 4Å; Y183-W189 HydrophobicContact CG-CZ2 4.19Å; Y183-W189 HydrophobicContact CG-CZ3 4.11Å
184G56.7Low67.2Low9 Ų988.1 Ų88.19%0.09339%0.388CS..  trans-94160178.400000114.1V186 G187 R188 F190G184-V186 PolarHBondContact O-N 3.42Å; G184-G187 PolarHBondContact O-N 3.23Å; G184-R188 WeakPolarHBondContact CA-O 3.5Å; G184-R188 PolarHBondContact N-O 2.99Å; G184-F190 VanDerWaalsContact CA-CE1 3.47Å
185W48.8Very low66.8Low267 Ų26790.9 Ų90.9100%1.01142%0.416SS*.THydrogen-bonded Turntrans-57.8-17.6178.4-48.588.9000114.6G187W185-G187 VanDerWaalsContact C-N 3.3Å
186V50.1Low66.9Low126 Ų12690.7 Ų90.776%0.76442%0.417SS*.THydrogen-bonded Turntrans-92.812.7178.6-161.20000111.6G184 R188G184-V186 PolarHBondContact O-N 3.42Å; V186-R188 PolarHBondContact O-N 3.12Å
187G50.4Low67.2Low40 Ų4090.9 Ų90.941%0.41242%0.418SS..SBendtrans65.319.4-176.100000113.6Y183 G184 W185Y183-G187 WeakPolarHBondContact OH-CA 3.41Å; G184-G187 PolarHBondContact O-N 3.23Å; W185-G187 VanDerWaalsContact C-N 3.3Å
188R53.3Low67.8Low194 Ų19488 Ų8873%0.73240%0.403SS*.  trans-115.4134.1177.7-69.7-172.3-177-168.40.7109.8G184 V186G184-R188 WeakPolarHBondContact CA-O 3.5Å; G184-R188 PolarHBondContact N-O 2.99Å; V186-R188 PolarHBondContact O-N 3.12Å
189W61.5Low68.5Low91 Ų9184.2 Ų84.235%0.34539%0.387SS..EExtended strand (participates in β ladder)trans-69131.6170.8-60.5100.2000109.6I68 I181 K182 Y183I68-W189 HydrophobicContact CB-CZ2 4.4Å; I68-W189 HydrophobicContact CD1-CD2 4.45Å; I68-W189 HydrophobicContact CG1-CZ2 4.11Å; I68-W189 HydrophobicContact CG2-CH2 3.7Å; I68-W189 HydrophobicContact CG2-CZ2 3.76Å; I68-W189 HydrophobicContact CG2-CZ3 4.41Å; I181-W189 HydrophobicContact CD1-CB 3.54Å; I181-W189 HydrophobicContact CD1-CD2 4.23Å; I181-W189 HydrophobicContact CD1-CE3 4.23Å; I181-W189 HydrophobicContact CD1-CG 3.96Å; I181-W189 HydrophobicContact CG1-CB 3.9Å; I181-W189 HydrophobicContact CG1-CE3 4.17Å; I181-W189 HydrophobicContact CG2-CE3 4.1Å; I181-W189 HydrophobicContact CG2-CZ3 4.41Å; K182-W189 CarbonylContact O-C 3.59Å; K182-W189 WeakPolarHBondContact O-CA 3.44Å; Y183-W189 VanDerWaalsContact CB-CZ3 3.49Å; Y183-W189 AromaticContact CD2-CD2 3.56Å; Y183-W189 HydrophobicContact CD2-CD2 3.56Å; Y183-W189 AromaticContact CD2-CE2 3.34Å; Y183-W189 AromaticContact CD2-CE3 3.81Å; Y183-W189 HydrophobicContact CD2-CE3 3.81Å; Y183-W189 HydrophobicContact CD2-CG 4.19Å; Y183-W189 AromaticContact CD2-CH2 3.63Å; Y183-W189 HydrophobicContact CD2-CH2 3.63Å; Y183-W189 AromaticContact CD2-CZ2 3.38Å; Y183-W189 HydrophobicContact CD2-CZ2 3.38Å; Y183-W189 AromaticContact CD2-CZ3 3.86Å; Y183-W189 HydrophobicContact CD2-CZ3 3.86Å; Y183-W189 AromaticContact CD2-NE1 3.93Å; Y183-W189 HydrophobicContact CE2-CD2 4.31Å; Y183-W189 AromaticContact CE2-CE2 3.78Å; Y183-W189 AromaticContact CE2-CZ2 3.88Å; Y183-W189 HydrophobicContact CE2-CZ2 3.88Å; Y183-W189 AromaticContact CE2-NE1 3.93Å; Y183-W189 HydrophobicContact CG-CE3 4.34Å; Y183-W189 HydrophobicContact CG-CH2 4Å; Y183-W189 HydrophobicContact CG-CZ2 4.19Å; Y183-W189 HydrophobicContact CG-CZ3 4.11Å
190F62.7Low69.3Low99 Ų9983.6 Ų83.643%0.43438%0.383SS..EExtended strand (participates in β ladder)trans-130.1154.7176.273-82.2000110.6K182 G184K182-F190 HydrophobicContact CB-CE1 4.13Å; K182-F190 HydrophobicContact CB-CZ 4.14Å; K182-F190 HydrophobicContact CD-CE1 4.25Å; K182-F190 HydrophobicContact CD-CZ 3.81Å; K182-F190 HydrophobicContact CG-CE1 3.88Å; K182-F190 HydrophobicContact CG-CZ 3.91Å; K182-F190 PolarHBondContact N-O 3.16Å; K182-F190 WeakPolarHBondContact O-CD1 3.38Å; K182-F190 PolarHBondContact O-N 3.4Å; G184-F190 VanDerWaalsContact CA-CE1 3.47Å
191R63.5Low70.1Confident139 Ų13983.8 Ų83.853%0.52538%0.384SS..  trans-87.7120.9-173.6-61.7178.2-172.2171.21.3109.7
192P60.4Low71.3Confident32 Ų3283.4 Ų83.421%0.20838%0.383CS..  trans-65.6144.1169.9-5.618.2000110.2E178 K182 K194E178-P192 WeakPolarHBondContact O-CG 3.5Å; K182-P192 HydrophobicContact CB-CG 4.2Å; P192-K194 HydrophobicContact CB-CB 4.29Å; P192-K194 PolarHBondContact O-N 3.19Å
193R56.3Low72.7Confident264 Ų26480.1 Ų80.1100%0.99637%0.374SS*.  trans-76.99167.2-78.2-174.2171.2177.7-2.5113
194K63.6Low74.4Confident155 Ų15574.7 Ų74.767%0.67436%0.356SS*.PPolyproline II helixtrans-77.5141.6-175.3-84-176.2172.5-177.10110.1P192P192-K194 HydrophobicContact CB-CB 4.29Å; P192-K194 PolarHBondContact O-N 3.19Å
195G80.1Confident76.3Confident57 Ų5774.3 Ų74.359%0.58835%0.352SS*.PPolyproline II helixtrans-64.4164.8164.800000111.2
196T89.9Confident78.6Confident21 Ų2161.7 Ų61.713%0.12930%0.304CS..PPolyproline II helixtrans-79.7158.4176.558.80000111.4W170 N174 F180 E212 Y233W170-T196 HydrophobicContact CH2-CG2 4.02Å; W170-T196 HydrophobicContact CZ2-CG2 3.61Å; W170-T196 WeakPolarHBondContact CZ2-OG1 3.02Å; N174-T196 VanDerWaalsContact OD1-CA 3.26Å; N174-T196 WeakPolarHBondContact OD1-CA 3.06Å; N174-T196 VanDerWaalsContact OD1-CB 3.31Å; N174-T196 WeakPolarHBondContact OD1-CB 3.07Å; F180-T196 HydrophobicContact CD1-CG2 4.47Å; F180-T196 HydrophobicContact CE1-CG2 3.9Å; T196-E212 WeakPolarHBondContact CG2-OE2 3.38Å; T196-E212 VanDerWaalsContact OG1-CB 3.24Å; T196-E212 WeakPolarHBondContact OG1-CB 3.46Å; T196-E212 PolarHBondContact OG1-OE2 3.03Å; T196-Y233 HydrophobicContact CG2-CD1 4.22Å; T196-Y233 HydrophobicContact CG2-CE1 3.9Å
197L92.4Very high80.9Confident22 Ų2255.7 Ų55.712%0.11527%0.268CS..PPolyproline II helixtrans-85.9141.9166-84.784.8000109.3W170 N174 L177 N179 N341 I343 I424W170-L197 PolarHBondContact NE1-O 3.43Å; N174-L197 PolarHBondContact ND2-O 2.65Å; N174-L197 PolarHBondContact OD1-N 2.88Å; L177-L197 HydrophobicContact CD1-CD1 4Å; L177-L197 HydrophobicContact CD1-CD2 3.76Å; L177-L197 HydrophobicContact CD1-CG 4.43Å; N179-L197 WeakPolarHBondContact ND2-CD1 3.43Å; L197-N341 CarbonylContact C-O 3.53Å; L197-N341 VanDerWaalsContact CA-O 3.25Å; L197-N341 WeakPolarHBondContact CA-O 3.32Å; L197-N341 HydrophobicContact CD2-CB 4.49Å; L197-N341 HydrophobicContact CG-CB 4.13Å; L197-I343 HydrophobicContact CD2-CB 4.14Å; L197-I343 HydrophobicContact CD2-CG2 4.46Å; L197-I424 HydrophobicContact CD2-CD1 4.08Å; L197-I424 HydrophobicContact CD2-CG1 4.46Å
198G95.9Very high83.2Confident2 Ų253.8 Ų53.82%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-68.1159.1158.400000111.6T210 N341 F342 I343G198-T210 CarbonylContact C-O 3.6Å; G198-T210 VanDerWaalsContact CA-O 3.25Å; G198-T210 WeakPolarHBondContact CA-O 3.4Å; G198-N341 PolarHBondContact N-O 2.83Å; G198-F342 CarbonylContact O-C 3.59Å; G198-F342 VanDerWaalsContact O-CA 3.29Å; G198-F342 WeakPolarHBondContact O-CA 3.38Å; G198-I343 WeakPolarHBondContact O-CG2 3.24Å; G198-I343 PolarHBondContact O-N 2.99Å
199A96.6Very high85.3Confident3 Ų344.6 Ų44.63%0.02521%0.214CC..EExtended strand (participates in β ladder)trans-127.8132.2-177.700000109.7W170 T210 I343 F345W170-A199 HydrophobicContact CB-CB 3.87Å; W170-A199 HydrophobicContact CG-CB 4.44Å; A199-T210 PolarHBondContact N-O 2.95Å; A199-T210 PolarHBondContact O-N 3.15Å; A199-I343 WeakPolarHBondContact CA-O 3.46Å; A199-I343 HydrophobicContact CB-CG2 4.49Å; A199-F345 HydrophobicContact CB-CE1 4.12Å
200M97.8Very high87Confident0 Ų040.3 Ų40.30%020%0.198CC..EExtended strand (participates in β ladder)trans-124.7120.5172.2-65.8-176.6-62.400109.5Q208 I209 F342 I343 A344 F345 F348 L409 Y413 F415 V423M200-Q208 VanDerWaalsContact CA-O 3.31Å; M200-Q208 WeakPolarHBondContact CA-O 3.34Å; M200-I209 HydrophobicContact CG-CB 4.45Å; M200-I209 HydrophobicContact CG-CD1 4.47Å; M200-I209 HydrophobicContact CG-CG1 4.18Å; M200-I209 HydrophobicContact SD-CD1 4.4Å; M200-F342 HydrophobicContact CE-CB 4.07Å; M200-F342 HydrophobicContact CE-CD1 4.43Å; M200-F342 HydrophobicContact CE-CG 4.49Å; M200-F342 HydrophobicContact CG-CD1 4.01Å; M200-F342 HydrophobicContact SD-CD1 4.33Å; M200-I343 PolarHBondContact N-O 3.18Å; M200-A344 HydrophobicContact CB-CB 4.34Å; M200-A344 HydrophobicContact CE-CB 3.93Å; M200-A344 WeakPolarHBondContact O-CA 3.15Å; M200-F345 WeakPolarHBondContact O-CD1 3.33Å; M200-F345 PolarHBondContact O-N 2.67Å; M200-F348 HydrophobicContact CB-CD2 4.17Å; M200-F348 HydrophobicContact CB-CE2 3.73Å; M200-F348 HydrophobicContact CB-CZ 4.37Å; M200-L409 HydrophobicContact CE-CD2 3.64Å; M200-L409 HydrophobicContact SD-CD2 3.56Å; M200-L409 VanDerWaalsContact SD-CD2 3.56Å; M200-Y413 HydrophobicContact CG-CE2 4.36Å; M200-Y413 HydrophobicContact SD-CD2 3.7Å; M200-Y413 HydrophobicContact SD-CE2 3.84Å; M200-F415 HydrophobicContact CE-CE2 4.27Å; M200-F415 HydrophobicContact CE-CZ 4.09Å; M200-F415 HydrophobicContact SD-CE2 3.68Å; M200-F415 HydrophobicContact SD-CZ 3.91Å; M200-V423 HydrophobicContact CE-CG1 3.83Å; M200-V423 HydrophobicContact CE-CG2 4.29Å
201D96.3Very high88.6Confident13 Ų1335.6 Ų35.67%0.0718%0.177CC..EExtended strand (participates in β ladder)trans-113.4131.2179.2-166.4-4000109.5T207 Q208 F345 S346D201-T207 CarbonylContact O-C 3.48Å; D201-T207 WeakPolarHBondContact O-CA 3.37Å; D201-T207 WeakPolarHBondContact O-CB 3.44Å; D201-T207 PolarHBondContact O-OG1 2.89Å; D201-Q208 HydrophobicContact CB-CB 4.31Å; D201-Q208 PolarHBondContact N-O 2.62Å; D201-Q208 PolarHBondContact O-N 2.9Å; D201-Q208 PolarHBondContact O-OE1 2.98Å; D201-F345 HydrophobicContact CB-CD2 4.37Å; D201-F345 HydrophobicContact CB-CE1 4.27Å; D201-F345 HydrophobicContact CB-CE2 3.59Å; D201-F345 HydrophobicContact CB-CZ 3.53Å; D201-F345 VanDerWaalsContact OD2-CE2 3.29Å; D201-F345 WeakPolarHBondContact OD2-CE2 3.48Å; D201-S346 WeakPolarHBondContact OD1-CB 3.47Å; D201-S346 PolarHBondContact OD1-OG 3.47Å
202L96.9Very high90Very high4 Ų432.5 Ų32.52%0.02117%0.169CC..EExtended strand (participates in β ladder)trans-120.393.5172.2-177.761.1000108.8T207 Y243 S346 A347 F348 F404 V405L202-T207 HydrophobicContact CD1-CG2 4.5Å; L202-Y243 WeakPolarHBondContact CD1-O 3.38Å; L202-S346 WeakPolarHBondContact O-CB 3.28Å; L202-A347 HydrophobicContact CB-CB 4.13Å; L202-A347 HydrophobicContact CD2-CB 3.87Å; L202-A347 HydrophobicContact CG-CB 3.82Å; L202-A347 WeakPolarHBondContact O-CB 3.46Å; L202-A347 PolarHBondContact O-N 2.96Å; L202-F348 HydrophobicContact CB-CD2 3.45Å; L202-F348 VanDerWaalsContact CB-CD2 3.45Å; L202-F348 HydrophobicContact CB-CE2 3.54Å; L202-F348 HydrophobicContact CB-CG 3.97Å; L202-F348 HydrophobicContact CB-CZ 4.13Å; L202-F348 HydrophobicContact CD2-CD1 4.35Å; L202-F348 HydrophobicContact CD2-CE1 4.42Å; L202-F348 HydrophobicContact CD2-CG 4.46Å; L202-F404 HydrophobicContact CD1-CE1 3.89Å; L202-F404 HydrophobicContact CD2-CE1 4.38Å; L202-V405 HydrophobicContact CD2-CG2 3.88Å
203G94.6Very high91.4Very high21 Ų2131.9 Ų31.922%0.21616%0.164CC..  trans-82.2-172.4172.800000112.5S206 G244 R245G203-S206 PolarHBondContact N-O 2.85Å; G203-G244 CarbonylContact O-C 3.53Å; G203-G244 WeakPolarHBondContact O-CA 3.25Å; G203-R245 PolarHBondContact O-N 3Å
204G93.7Very high92.7Very high9 Ų925.7 Ų25.79%0.09316%0.156CC..SBendtrans-73.7-37.3178.300000113.5S48 G244 R245 D246 Q247S48-G204 WeakPolarHBondContact OG-CA 3.23Å; G204-G244 CarbonylContact O-C 3.52Å; G204-G244 WeakPolarHBondContact O-CA 3.4Å; G204-R245 PolarHBondContact O-N 3.32Å; G204-D246 WeakPolarHBondContact CA-OD2 3.09Å; G204-D246 WeakPolarHBondContact O-CA 3.25Å; G204-D246 WeakPolarHBondContact O-CB 3.48Å; G204-D246 PolarHBondContact O-N 3.04Å; G204-Q247 PolarHBondContact O-N 2.9Å; G204-Q247 VanDerWaalsContact O-N 3.16Å
205A96.8Very high93.3Very high2 Ų220.4 Ų20.42%0.01714%0.138CC..SBendtrans-115.8-15.5-174.100000116.2A123 L127 C242 Q247A123-A205 HydrophobicContact CB-CB 3.51Å; L127-A205 HydrophobicContact CD1-CB 3.73Å; A205-C242 WeakPolarHBondContact O-CA 3.41Å; A205-C242 PolarHBondContact O-N 2.84Å; A205-Q247 HydrophobicContact CB-CG 3.89Å
206S98.1Very high93.2Very high1 Ų122.4 Ų22.41%0.00714%0.141CC..EExtended strand (participates in β ladder)trans-142.9168170.660.20000111.8A123 R126 G203 Q208 F240 G244A123-S206 WeakPolarHBondContact CB-OG 3.42Å; R126-S206 PolarHBondContact NH2-OG 2.84Å; G203-S206 PolarHBondContact N-O 2.85Å; S206-Q208 PolarHBondContact OG-NE2 3.45Å; S206-F240 VanDerWaalsContact CA-O 3.27Å; S206-F240 WeakPolarHBondContact CA-O 3.24Å; S206-F240 WeakPolarHBondContact CB-O 3.41Å; S206-G244 WeakPolarHBondContact O-CA 3.48Å
207T98.4Very high92.7Very high0 Ų022.6 Ų22.60%015%0.145CC..EExtended strand (participates in β ladder)trans-130.2145.5167.2-175.10000110.2D201 L202 S239 F240 L408 Y413D201-T207 CarbonylContact O-C 3.48Å; D201-T207 WeakPolarHBondContact O-CA 3.37Å; D201-T207 WeakPolarHBondContact O-CB 3.44Å; D201-T207 PolarHBondContact O-OG1 2.89Å; L202-T207 HydrophobicContact CD1-CG2 4.5Å; T207-S239 CarbonylContact O-C 3.57Å; T207-S239 WeakPolarHBondContact O-CA 3.26Å; T207-F240 HydrophobicContact CG2-CB 3.95Å; T207-F240 HydrophobicContact CG2-CD2 4.4Å; T207-F240 PolarHBondContact N-O 2.04Å; T207-F240 PolarHBondContact O-N 2.79Å; T207-L408 HydrophobicContact CG2-CD2 4.08Å; T207-Y413 WeakPolarHBondContact CG2-OH 3.37Å; T207-Y413 PolarHBondContact OG1-OH 3.14Å
208Q98.3Very high92.6Very high1 Ų126.1 Ų26.11%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-122.8144.7-175.6-65.179.8-0.100110.2E165 M200 D201 S206 H238E165-Q208 PolarHBondContact OE1-NE2 2.99Å; E165-Q208 PolarHBondContact OE2-NE2 3.3Å; M200-Q208 VanDerWaalsContact CA-O 3.31Å; M200-Q208 WeakPolarHBondContact CA-O 3.34Å; D201-Q208 HydrophobicContact CB-CB 4.31Å; D201-Q208 PolarHBondContact N-O 2.62Å; D201-Q208 PolarHBondContact O-N 2.9Å; D201-Q208 PolarHBondContact O-OE1 2.98Å; S206-Q208 PolarHBondContact OG-NE2 3.45Å; Q208-H238 VanDerWaalsContact CA-O 3.28Å; Q208-H238 WeakPolarHBondContact CA-O 3.49Å
209I98.1Very high92.4Very high0 Ų028.1 Ų28.10%017%0.171CC..EExtended strand (participates in β ladder)trans-129.1128.6167.5179.5166.8000108.2M200 F211 Y236 T237 H238 F240 V338 F342 Y413 F415M200-I209 HydrophobicContact CG-CB 4.45Å; M200-I209 HydrophobicContact CG-CD1 4.47Å; M200-I209 HydrophobicContact CG-CG1 4.18Å; M200-I209 HydrophobicContact SD-CD1 4.4Å; I209-F211 HydrophobicContact CD1-CD1 4.37Å; I209-F211 HydrophobicContact CD1-CE1 4.11Å; I209-F211 HydrophobicContact CG1-CD1 4Å; I209-F211 HydrophobicContact CG1-CE1 4.1Å; I209-Y236 HydrophobicContact CG2-CE1 4.17Å; I209-T237 WeakPolarHBondContact O-CA 3.32Å; I209-H238 PolarHBondContact N-O 2.88Å; I209-H238 VanDerWaalsContact N-O 3.08Å; I209-H238 PolarHBondContact O-N 2.98Å; I209-F240 HydrophobicContact CG2-CE2 4.23Å; I209-V338 HydrophobicContact CD1-CG1 4.24Å; I209-F342 HydrophobicContact CD1-CE1 4.32Å; I209-F342 HydrophobicContact CG1-CE1 4.26Å; I209-Y413 HydrophobicContact CB-CE1 4.16Å; I209-Y413 HydrophobicContact CB-CE2 4.19Å; I209-Y413 HydrophobicContact CD1-CD1 4.09Å; I209-Y413 HydrophobicContact CD1-CD2 3.84Å; I209-Y413 HydrophobicContact CD1-CE1 4.5Å; I209-Y413 HydrophobicContact CD1-CE2 4.25Å; I209-Y413 HydrophobicContact CD1-CG 3.75Å; I209-Y413 HydrophobicContact CG2-CD1 4.22Å; I209-Y413 HydrophobicContact CG2-CE1 3.79Å; I209-F415 HydrophobicContact CD1-CE2 4.42Å
210T97.8Very high91.9Very high1 Ų138.7 Ų38.71%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-143.6127.4-174.8-55.10000110.4G166 V167 W170 G198 A199 V235 Y236 T237G166-T210 WeakPolarHBondContact CA-OG1 3.24Å; G166-T210 PolarHBondContact O-OG1 2.73Å; V167-T210 HydrophobicContact CG2-CG2 4.25Å; W170-T210 HydrophobicContact CB-CG2 3.49Å; W170-T210 VanDerWaalsContact CB-CG2 3.49Å; W170-T210 HydrophobicContact CG-CG2 3.8Å; G198-T210 CarbonylContact C-O 3.6Å; G198-T210 VanDerWaalsContact CA-O 3.25Å; G198-T210 WeakPolarHBondContact CA-O 3.4Å; A199-T210 PolarHBondContact N-O 2.95Å; A199-T210 PolarHBondContact O-N 3.15Å; T210-V235 HydrophobicContact CG2-CG1 3.26Å; T210-Y236 CarbonylContact C-O 3.48Å; T210-Y236 VanDerWaalsContact CA-O 3.23Å; T210-Y236 WeakPolarHBondContact CA-O 3.23Å; T210-Y236 WeakPolarHBondContact CG2-O 3.41Å; T210-T237 PolarHBondContact OG1-OG1 3.3Å
211F95.8Very high91.4Very high1 Ų141.3 Ų41.30%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-156.7153.4177.958-84000112.1I209 Y236 P336 P337 V338 F342I209-F211 HydrophobicContact CD1-CD1 4.37Å; I209-F211 HydrophobicContact CD1-CE1 4.11Å; I209-F211 HydrophobicContact CG1-CD1 4Å; I209-F211 HydrophobicContact CG1-CE1 4.1Å; F211-Y236 AromaticContact CD1-CD1 3.92Å; F211-Y236 HydrophobicContact CD1-CD1 3.92Å; F211-Y236 AromaticContact CE1-CD1 3.41Å; F211-Y236 HydrophobicContact CE1-CD1 3.41Å; F211-Y236 VanDerWaalsContact CE1-CD1 3.41Å; F211-Y236 AromaticContact CE1-CE1 3.93Å; F211-Y236 HydrophobicContact CE1-CE1 3.93Å; F211-Y236 HydrophobicContact CE1-CG 4.33Å; F211-Y236 AromaticContact CZ-CD1 3.9Å; F211-Y236 HydrophobicContact CZ-CD1 3.9Å; F211-Y236 HydrophobicContact CZ-CG 4.44Å; F211-Y236 PolarHBondContact N-O 3.37Å; F211-Y236 PolarHBondContact O-N 3.04Å; F211-P336 HydrophobicContact CE2-CG 4.01Å; F211-P336 HydrophobicContact CZ-CG 3.74Å; F211-P337 WeakPolarHBondContact CE2-O 3.42Å; F211-V338 HydrophobicContact CE1-CG1 4.49Å; F211-F342 HydrophobicContact CB-CE1 3.84Å; F211-F342 HydrophobicContact CB-CZ 3.78Å; F211-F342 AromaticContact CD1-CE1 3.77Å; F211-F342 HydrophobicContact CD1-CE1 3.77Å; F211-F342 AromaticContact CD1-CZ 3.72Å; F211-F342 HydrophobicContact CD1-CZ 3.72Å; F211-F342 HydrophobicContact CD2-CZ 4.35Å; F211-F342 HydrophobicContact CE1-CZ 4.35Å; F211-F342 HydrophobicContact CG-CE1 4.02Å; F211-F342 AromaticContact CG-CZ 3.71Å; F211-F342 HydrophobicContact CG-CZ 3.71Å
212E93.2Very high91.2Very high74 Ų7440.7 Ų40.735%0.34623%0.228SC..EExtended strand (participates in β ladder)trans-67.6134.7174.3-175.8174.4-166.200110.3W170 T196 R234W170-E212 HydrophobicContact CZ2-CB 4.24Å; T196-E212 WeakPolarHBondContact CG2-OE2 3.38Å; T196-E212 VanDerWaalsContact OG1-CB 3.24Å; T196-E212 WeakPolarHBondContact OG1-CB 3.46Å; T196-E212 PolarHBondContact OG1-OE2 3.03Å; E212-R234 WeakPolarHBondContact CA-O 3.43Å
213T88.8Confident90.9Very high19 Ų1942.8 Ų42.812%0.11724%0.238CC..  trans-141.2140.7179.7-173.90000111.8S215 R234 P336T213-S215 PolarHBondContact OG1-N 3.2Å; T213-R234 PolarHBondContact N-O 2.85Å; T213-R234 VanDerWaalsContact N-O 3.12Å; T213-R234 WeakPolarHBondContact O-CD 3.47Å; T213-P336 HydrophobicContact CG2-CG 4.33Å
214T83.4Confident90.7Very high133 Ų13343.4 Ų43.482%0.81624%0.237SC*.  trans-85.6-17.3172.455.20000112.3
215S77.2Confident90.5Very high44 Ų4449.2 Ų49.231%0.30826%0.262SS..SBendtrans-65.7134.7179.5-60.90000110.2T213 A217T213-S215 PolarHBondContact OG1-N 3.2Å; S215-A217 PolarHBondContact O-N 2.95Å
216P76.8Confident89.9Confident100 Ų10050.1 Ų50.165%0.64927%0.266SS*.PPolyproline II helixtrans-57.5137.6167.9-18.330.3000109.4
217A80.1Confident89.2Confident25 Ų2557.5 Ų57.521%0.20729%0.294CS..PPolyproline II helixtrans-76129.5174.300000110S215 D219 E223 F334S215-A217 PolarHBondContact O-N 2.95Å; A217-D219 VanDerWaalsContact C-N 3.34Å; A217-E223 HydrophobicContact CB-CB 3.61Å; A217-E223 HydrophobicContact CB-CG 4.17Å; A217-E223 WeakPolarHBondContact CB-OE2 3.34Å; A217-F334 HydrophobicContact CB-CE1 4.16Å
218E90.6Very high88.4Confident96 Ų9657.7 Ų57.745%0.44930%0.295SS..SBendtrans-80.6-24.3172.3-65.4172.7-140.400111.2F325 S326 F334E218-F325 HydrophobicContact CB-CD1 3.83Å; E218-F325 HydrophobicContact CB-CE1 4.48Å; E218-S326 WeakPolarHBondContact OE1-CB 3.24Å; E218-S326 PolarHBondContact OE1-OG 3.47Å; E218-S326 WeakPolarHBondContact OE2-CB 3.5Å; E218-S326 PolarHBondContact OE2-N 2.88Å; E218-S326 PolarHBondContact OE2-OG 3.14Å; E218-F334 HydrophobicContact CB-CD2 3.87Å; E218-F334 HydrophobicContact CB-CE2 3.72Å; E218-F334 HydrophobicContact CB-CG 4.34Å; E218-F334 HydrophobicContact CB-CZ 4.08Å; E218-F334 HydrophobicContact CG-CD2 4.38Å; E218-F334 HydrophobicContact CG-CE2 3.8Å; E218-F334 HydrophobicContact CG-CZ 4.18Å
219D90.6Very high87.5Confident43 Ų4358 Ų5823%0.2330%0.297CS..SBendtrans-111.6113168.3174.622.4000110.6A217 A221 S222 F325 F334A217-D219 VanDerWaalsContact C-N 3.34Å; D219-A221 PolarHBondContact O-N 2.84Å; D219-A221 WeakPolarHBondContact OD1-CB 3.38Å; D219-A221 PolarHBondContact OD1-N 3.29Å; D219-S222 PolarHBondContact O-N 2.76Å; D219-S222 VanDerWaalsContact O-N 3.12Å; D219-S222 PolarHBondContact OD2-OG 3.09Å; D219-F325 HydrophobicContact CB-CE1 3.97Å; D219-F325 HydrophobicContact CB-CZ 3.92Å; D219-F334 HydrophobicContact CB-CB 3.91Å; D219-F334 HydrophobicContact CB-CD1 4.08Å; D219-F334 HydrophobicContact CB-CG 4.27Å
220R86.9Confident86.5Confident226 Ų22659.5 Ų59.585%0.85331%0.311SS*.G310 helixtrans-62-27.6177.9-69.7-171.1-178.6-176.31.8112.9S222 E223R220-S222 PolarHBondContact O-N 3.21Å; R220-E223 PolarHBondContact O-N 3.11Å
221A87.9Confident85.6Confident54 Ų5463.4 Ų63.445%0.44633%0.329SS..G310 helixtrans-70.6-13.7179.400000113Q163 D219Q163-A221 WeakPolarHBondContact CG-O 3.45Å; Q163-A221 PolarHBondContact NE2-O 3.45Å; Q163-A221 VanDerWaalsContact NE2-O 3.15Å; D219-A221 PolarHBondContact O-N 2.84Å; D219-A221 WeakPolarHBondContact OD1-CB 3.38Å; D219-A221 PolarHBondContact OD1-N 3.29Å
222S91.3Very high85.1Confident0 Ų069.4 Ų69.40%036%0.357CS..G310 helixtrans-104.70.9179.5-590000113D219 R220 Y236 T237D219-S222 PolarHBondContact O-N 2.76Å; D219-S222 VanDerWaalsContact O-N 3.12Å; D219-S222 PolarHBondContact OD2-OG 3.09Å; R220-S222 PolarHBondContact O-N 3.21Å; S222-Y236 WeakPolarHBondContact O-CA 3.3Å; S222-T237 WeakPolarHBondContact CA-O 3.47Å; S222-T237 PolarHBondContact O-N 2.97Å
223E91.6Very high84.8Confident49 Ų4967.3 Ų67.323%0.22935%0.346CS..EExtended strand (participates in β ladder)trans-103.2129.2174.4-168.2178.916700111.1A217 R220 R234A217-E223 HydrophobicContact CB-CB 3.61Å; A217-E223 HydrophobicContact CB-CG 4.17Å; A217-E223 WeakPolarHBondContact CB-OE2 3.34Å; R220-E223 PolarHBondContact O-N 3.11Å; E223-R234 HydrophobicContact CG-CG 4.17Å; E223-R234 WeakPolarHBondContact OE1-CD 3.44Å; E223-R234 IonicContact OE1-CZ 2.74Å; E223-R234 IonicContact OE1-NE 3.76Å; E223-R234 PolarHBondContact OE1-NE 3.44Å; E223-R234 IonicContact OE1-NH2 2.82Å
224V90.5Very high84.8Confident34 Ų3471 Ų7121%0.20636%0.358CS..EExtended strand (participates in β ladder)trans-126.2133.9172-179.60000109.8V167 L226 V235 T237V167-V224 HydrophobicContact CG1-CG1 4.32Å; V167-V224 HydrophobicContact CG2-CB 3.92Å; V167-V224 HydrophobicContact CG2-CG1 4.03Å; V167-V224 HydrophobicContact CG2-CG2 3.92Å; V224-L226 HydrophobicContact CG1-CD2 3.99Å; V224-L226 HydrophobicContact CG1-CG 4.15Å; V224-V235 PolarHBondContact N-O 2.65Å; V224-V235 PolarHBondContact O-N 3.42Å; V224-T237 HydrophobicContact CG2-CG2 3.69Å
225Q88.6Confident85.3Confident131 Ų13164.7 Ų64.761%0.61232%0.319SS*.EExtended strand (participates in β ladder)trans-106127.5172.9-64.8-170.320.300110.1Y233Q225-Y233 WeakPolarHBondContact CA-O 3.25Å
226L84.8Confident86.2Confident20 Ų2062.8 Ų62.811%0.10531%0.305CS..EExtended strand (participates in β ladder)trans-120.2147.3-178.8-61167.5000110.3V167 W170 V171 V224 H232 Y233 V235V167-L226 HydrophobicContact CG1-CD1 3.47Å; V167-L226 VanDerWaalsContact CG1-CD1 3.47Å; V167-L226 HydrophobicContact CG1-CD2 3.8Å; V167-L226 HydrophobicContact CG1-CG 4.11Å; W170-L226 HydrophobicContact CE3-CD1 4.1Å; W170-L226 HydrophobicContact CZ3-CD1 3.84Å; V171-L226 HydrophobicContact CG2-CD1 3.97Å; V224-L226 HydrophobicContact CG1-CD2 3.99Å; V224-L226 HydrophobicContact CG1-CG 4.15Å; L226-H232 CarbonylContact O-C 3.57Å; L226-H232 VanDerWaalsContact O-CA 3.3Å; L226-H232 WeakPolarHBondContact O-CA 3.29Å; L226-Y233 PolarHBondContact N-O 2.94Å; L226-Y233 PolarHBondContact O-N 3.19Å; L226-V235 HydrophobicContact CD1-CG2 4.14Å
227R83.6Confident87.1Confident157 Ų15758 Ų5859%0.59228%0.275SS*.EExtended strand (participates in β ladder)trans-118.8111.2167.7-167.1175.9-178.5-169.8-3.7110Q231 N446R227-Q231 CarbonylContact C-O 3.53Å; R227-Q231 VanDerWaalsContact CA-O 3.23Å; R227-Q231 WeakPolarHBondContact CA-O 3.48Å; R227-N446 PolarHBondContact O-ND2 2.93Å
228L80.9Confident88Confident4 Ų458.5 Ų58.52%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-131.2129.6-178.6-62171.8000109.3V171 F180 G230 Q231 Y233V171-L228 HydrophobicContact CB-CD1 4.46Å; V171-L228 HydrophobicContact CG1-CD1 3.9Å; V171-L228 HydrophobicContact CG2-CD1 3.75Å; F180-L228 HydrophobicContact CE2-CD1 3.97Å; F180-L228 HydrophobicContact CZ-CD1 3.96Å; L228-G230 PolarHBondContact O-N 2.92Å; L228-G230 VanDerWaalsContact O-N 3.15Å; L228-Q231 PolarHBondContact N-O 3.29Å; L228-Q231 PolarHBondContact O-N 3.36Å; L228-Y233 HydrophobicContact CB-CD2 4.45Å; L228-Y233 HydrophobicContact CB-CE2 4.1Å
229Y79.1Confident88.3Confident8 Ų854.7 Ų54.73%0.03126%0.257CS..THydrogen-bonded Turntrans5236.6-178.7-54.3-78.3000113.5E63 T66 G67 I68 Y175 F180 I181 Q231E63-Y229 HydrophobicContact CB-CD1 4.35Å; E63-Y229 HydrophobicContact CG-CD1 4.3Å; T66-Y229 VanDerWaalsContact CB-CE1 3.45Å; T66-Y229 HydrophobicContact CG2-CD1 4.05Å; T66-Y229 HydrophobicContact CG2-CD2 4.37Å; T66-Y229 HydrophobicContact CG2-CE1 3.49Å; T66-Y229 VanDerWaalsContact CG2-CE1 3.49Å; T66-Y229 HydrophobicContact CG2-CE2 3.86Å; T66-Y229 HydrophobicContact CG2-CG 4.45Å; T66-Y229 PolarHBondContact OG1-N 3.48Å; T66-Y229 VanDerWaalsContact OG1-N 3.15Å; G67-Y229 PolarHBondContact O-OH 3.48Å; I68-Y229 HydrophobicContact CD1-CE1 3.77Å; Y175-Y229 HydrophobicContact CD2-CE2 4.31Å; Y175-Y229 WeakPolarHBondContact CD2-OH 3.4Å; Y175-Y229 WeakPolarHBondContact CE2-OH 3.49Å; F180-Y229 HydrophobicContact CB-CD2 3.84Å; F180-Y229 HydrophobicContact CB-CE2 3.96Å; F180-Y229 HydrophobicContact CD2-CE2 4.33Å; F180-Y229 HydrophobicContact CG-CD2 4.49Å; F180-Y229 HydrophobicContact CG-CE2 4.5Å; I181-Y229 HydrophobicContact CD1-CD1 4.18Å; I181-Y229 HydrophobicContact CD1-CE1 4.42Å; Y229-Q231 VanDerWaalsContact C-N 3.31Å; Y229-Q231 PolarHBondContact O-N 2.84Å
230G76.9Confident88.7Confident30 Ų3053 Ų5331%0.30925%0.247SC..THydrogen-bonded Turntrans78.3-0.2-177.700000116.1L228L228-G230 PolarHBondContact O-N 2.92Å; L228-G230 VanDerWaalsContact O-N 3.15Å
231Q79.1Confident89.2Confident83 Ų8344.6 Ų44.639%0.38822%0.219SC..EExtended strand (participates in β ladder)trans-103.6145.8-179.4-63.3-68.214.200112.7R227 L228 Y229 Y233R227-Q231 CarbonylContact C-O 3.53Å; R227-Q231 VanDerWaalsContact CA-O 3.23Å; R227-Q231 WeakPolarHBondContact CA-O 3.48Å; L228-Q231 PolarHBondContact N-O 3.29Å; L228-Q231 PolarHBondContact O-N 3.36Å; Y229-Q231 VanDerWaalsContact C-N 3.31Å; Y229-Q231 PolarHBondContact O-N 2.84Å; Q231-Y233 HydrophobicContact CB-CD2 4.49Å; Q231-Y233 HydrophobicContact CB-CE2 3.72Å
232H84.8Confident89.7Confident127 Ų12743 Ų4359%0.58820%0.204SC*.EExtended strand (participates in β ladder)trans-95.2127.3175-70.7-91.2000110.8L226L226-H232 CarbonylContact O-C 3.57Å; L226-H232 VanDerWaalsContact O-CA 3.3Å; L226-H232 WeakPolarHBondContact O-CA 3.29Å
233Y87Confident90Very high30 Ų3043.9 Ų43.912%0.11821%0.208CC..EExtended strand (participates in β ladder)trans-115.9129.3174.9-61.5-88.5000109.5W170 F180 T196 Q225 L226 L228 Q231W170-Y233 AromaticContact CH2-CD1 3.83Å; W170-Y233 HydrophobicContact CH2-CD1 3.83Å; W170-Y233 HydrophobicContact CH2-CE1 4.49Å; W170-Y233 AromaticContact CH2-CG 3.9Å; W170-Y233 HydrophobicContact CH2-CG 3.9Å; F180-Y233 HydrophobicContact CD1-CE1 4.15Å; F180-Y233 HydrophobicContact CD1-CE2 4.2Å; F180-Y233 AromaticContact CD1-CZ 3.65Å; F180-Y233 WeakPolarHBondContact CD1-OH 3.39Å; F180-Y233 HydrophobicContact CE1-CD1 4.49Å; F180-Y233 AromaticContact CE1-CE1 3.95Å; F180-Y233 HydrophobicContact CE1-CE1 3.95Å; F180-Y233 HydrophobicContact CE1-CE2 4.15Å; F180-Y233 AromaticContact CE1-CZ 3.76Å; T196-Y233 HydrophobicContact CG2-CD1 4.22Å; T196-Y233 HydrophobicContact CG2-CE1 3.9Å; Q225-Y233 WeakPolarHBondContact CA-O 3.25Å; L226-Y233 PolarHBondContact N-O 2.94Å; L226-Y233 PolarHBondContact O-N 3.19Å; L228-Y233 HydrophobicContact CB-CD2 4.45Å; L228-Y233 HydrophobicContact CB-CE2 4.1Å; Q231-Y233 HydrophobicContact CB-CD2 4.49Å; Q231-Y233 HydrophobicContact CB-CE2 3.72Å
234R89.9Confident90.3Very high97 Ų9741.5 Ų41.537%0.36620%0.197SC..EExtended strand (participates in β ladder)trans-97.3116.4168.2175.4-177.7-77.5157.75.7108.4E212 T213 E223E212-R234 WeakPolarHBondContact CA-O 3.43Å; T213-R234 PolarHBondContact N-O 2.85Å; T213-R234 VanDerWaalsContact N-O 3.12Å; T213-R234 WeakPolarHBondContact O-CD 3.47Å; E223-R234 HydrophobicContact CG-CG 4.17Å; E223-R234 WeakPolarHBondContact OE1-CD 3.44Å; E223-R234 IonicContact OE1-CZ 2.74Å; E223-R234 IonicContact OE1-NE 3.76Å; E223-R234 PolarHBondContact OE1-NE 3.44Å; E223-R234 IonicContact OE1-NH2 2.82Å
235V93.2Very high90.6Very high0 Ų042.5 Ų42.50%020%0.197CC..EExtended strand (participates in β ladder)trans-121.9129.6-171.8-179.20000109.2V167 W170 T210 V224 L226V167-V235 HydrophobicContact CG2-CG1 4.47Å; W170-V235 HydrophobicContact CD2-CG1 4.49Å; W170-V235 HydrophobicContact CD2-CG2 4.44Å; W170-V235 HydrophobicContact CE3-CG2 4.22Å; W170-V235 HydrophobicContact CH2-CG2 3.88Å; W170-V235 HydrophobicContact CZ2-CG2 4.08Å; W170-V235 HydrophobicContact CZ3-CG2 3.95Å; T210-V235 HydrophobicContact CG2-CG1 3.26Å; V224-V235 PolarHBondContact N-O 2.65Å; V224-V235 PolarHBondContact O-N 3.42Å; L226-V235 HydrophobicContact CD1-CG2 4.14Å
236Y95.8Very high91Very high4 Ų438.2 Ų38.22%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-80.4136.6162.8168.9-94.7000108.8I209 T210 F211 S222 H238 F334 Q335 P336I209-Y236 HydrophobicContact CG2-CE1 4.17Å; T210-Y236 CarbonylContact C-O 3.48Å; T210-Y236 VanDerWaalsContact CA-O 3.23Å; T210-Y236 WeakPolarHBondContact CA-O 3.23Å; T210-Y236 WeakPolarHBondContact CG2-O 3.41Å; F211-Y236 AromaticContact CD1-CD1 3.92Å; F211-Y236 HydrophobicContact CD1-CD1 3.92Å; F211-Y236 AromaticContact CE1-CD1 3.41Å; F211-Y236 HydrophobicContact CE1-CD1 3.41Å; F211-Y236 VanDerWaalsContact CE1-CD1 3.41Å; F211-Y236 AromaticContact CE1-CE1 3.93Å; F211-Y236 HydrophobicContact CE1-CE1 3.93Å; F211-Y236 HydrophobicContact CE1-CG 4.33Å; F211-Y236 AromaticContact CZ-CD1 3.9Å; F211-Y236 HydrophobicContact CZ-CD1 3.9Å; F211-Y236 HydrophobicContact CZ-CG 4.44Å; F211-Y236 PolarHBondContact N-O 3.37Å; F211-Y236 PolarHBondContact O-N 3.04Å; S222-Y236 WeakPolarHBondContact O-CA 3.3Å; Y236-H238 HydrophobicContact CE1-CB 4.32Å; Y236-H238 WeakPolarHBondContact OH-CB 3.49Å; Y236-F334 HydrophobicContact CD2-CD1 4.42Å; Y236-F334 HydrophobicContact CD2-CE1 4.33Å; Y236-F334 HydrophobicContact CE2-CD1 4.06Å; Y236-F334 HydrophobicContact CE2-CE1 4.38Å; Y236-F334 VanDerWaalsContact CE2-O 3.32Å; Y236-F334 WeakPolarHBondContact CE2-O 3.28Å; Y236-F334 PolarHBondContact OH-O 3.1Å; Y236-Q335 HydrophobicContact CE1-CG 3.79Å; Y236-Q335 WeakPolarHBondContact OH-CG 3.31Å; Y236-P336 HydrophobicContact CD1-CG 4.29Å; Y236-P336 HydrophobicContact CD2-CG 3.83Å; Y236-P336 VanDerWaalsContact CE2-CD 3.46Å; Y236-P336 HydrophobicContact CE2-CG 4.43Å; Y236-P336 HydrophobicContact CG-CG 3.73Å
237T96.7Very high91.6Very high0 Ų038.3 Ų38.30%018%0.178CC..EExtended strand (participates in β ladder)trans-144.5140.6173.9-167.80000111Q163 V167 I209 T210 S222 V224Q163-T237 HydrophobicContact CB-CG2 3.79Å; Q163-T237 HydrophobicContact CG-CG2 3.84Å; V167-T237 HydrophobicContact CG2-CG2 3.79Å; I209-T237 WeakPolarHBondContact O-CA 3.32Å; T210-T237 PolarHBondContact OG1-OG1 3.3Å; S222-T237 WeakPolarHBondContact CA-O 3.47Å; S222-T237 PolarHBondContact O-N 2.97Å; V224-T237 HydrophobicContact CG2-CG2 3.69Å
238H97.5Very high92.3Very high35 Ų3531 Ų3116%0.16215%0.15CC..EExtended strand (participates in β ladder)trans-145.5147.1168.4-161.782000111.3Q208 I209 Y236 F240 V333Q208-H238 VanDerWaalsContact CA-O 3.28Å; Q208-H238 WeakPolarHBondContact CA-O 3.49Å; I209-H238 PolarHBondContact N-O 2.88Å; I209-H238 VanDerWaalsContact N-O 3.08Å; I209-H238 PolarHBondContact O-N 2.98Å; Y236-H238 HydrophobicContact CE1-CB 4.32Å; Y236-H238 WeakPolarHBondContact OH-CB 3.49Å; H238-F240 HydrophobicContact CB-CE2 4.35Å; H238-F240 AromaticContact CD2-CD1 3.89Å; H238-F240 AromaticContact CD2-CD2 3.78Å; H238-F240 AromaticContact CD2-CE1 3.67Å; H238-F240 AromaticContact CD2-CE2 3.52Å; H238-F240 AromaticContact CD2-CG 3.95Å; H238-F240 AromaticContact CD2-CZ 3.46Å; H238-F240 VanDerWaalsContact CD2-CZ 3.46Å; H238-F240 WeakPolarHBondContact CD2-CZ 3.38Å; H238-F240 AromaticContact NE2-CE1 3.95Å; H238-V333 WeakPolarHBondContact CE1-CG1 3.48Å; H238-V333 WeakPolarHBondContact ND1-CG1 3.46Å; H238-V333 WeakPolarHBondContact NE2-CG1 3.26Å
239S98Very high93Very high17 Ų1732 Ų3212%0.11916%0.156CC..EExtended strand (participates in β ladder)trans-122.2111.6177.5164.90000109.9R126 T207 L241R126-S239 PolarHBondContact NH1-OG 2.91Å; T207-S239 CarbonylContact O-C 3.57Å; T207-S239 WeakPolarHBondContact O-CA 3.26Å; S239-L241 PolarHBondContact O-N 3.43Å
240F98.2Very high93.9Very high8 Ų834.4 Ų34.44%0.03517%0.167CC..EExtended strand (participates in β ladder)trans-84.392.9174.1-63.3-85.6000110.2S206 T207 I209 H238 Y243 S329 F330 V333 Y413S206-F240 VanDerWaalsContact CA-O 3.27Å; S206-F240 WeakPolarHBondContact CA-O 3.24Å; S206-F240 WeakPolarHBondContact CB-O 3.41Å; T207-F240 HydrophobicContact CG2-CB 3.95Å; T207-F240 HydrophobicContact CG2-CD2 4.4Å; T207-F240 PolarHBondContact N-O 2.04Å; T207-F240 PolarHBondContact O-N 2.79Å; I209-F240 HydrophobicContact CG2-CE2 4.23Å; H238-F240 HydrophobicContact CB-CE2 4.35Å; H238-F240 AromaticContact CD2-CD1 3.89Å; H238-F240 AromaticContact CD2-CD2 3.78Å; H238-F240 AromaticContact CD2-CE1 3.67Å; H238-F240 AromaticContact CD2-CE2 3.52Å; H238-F240 AromaticContact CD2-CG 3.95Å; H238-F240 AromaticContact CD2-CZ 3.46Å; H238-F240 VanDerWaalsContact CD2-CZ 3.46Å; H238-F240 WeakPolarHBondContact CD2-CZ 3.38Å; H238-F240 AromaticContact NE2-CE1 3.95Å; F240-Y243 HydrophobicContact CB-CD2 3.78Å; F240-Y243 HydrophobicContact CB-CG 3.93Å; F240-Y243 PolarHBondContact O-N 3.2Å; F240-S329 WeakPolarHBondContact CZ-OG 3.24Å; F240-F330 HydrophobicContact CB-CZ 4.19Å; F240-F330 HydrophobicContact CD1-CD2 4.34Å; F240-F330 AromaticContact CD1-CE1 3.95Å; F240-F330 HydrophobicContact CD1-CE1 3.95Å; F240-F330 AromaticContact CD1-CE2 3.43Å; F240-F330 HydrophobicContact CD1-CE2 3.43Å; F240-F330 VanDerWaalsContact CD1-CE2 3.43Å; F240-F330 AromaticContact CD1-CZ 3.21Å; F240-F330 HydrophobicContact CD1-CZ 3.21Å; F240-F330 HydrophobicContact CD2-CE1 4.27Å; F240-F330 AromaticContact CD2-CZ 3.98Å; F240-F330 HydrophobicContact CD2-CZ 3.98Å; F240-F330 HydrophobicContact CE1-CD1 4.16Å; F240-F330 HydrophobicContact CE1-CD2 4.19Å; F240-F330 AromaticContact CE1-CE1 3.68Å; F240-F330 HydrophobicContact CE1-CE1 3.68Å; F240-F330 AromaticContact CE1-CE2 3.67Å; F240-F330 HydrophobicContact CE1-CE2 3.67Å; F240-F330 HydrophobicContact CE1-CG 4.41Å; F240-F330 AromaticContact CE1-CZ 3.41Å; F240-F330 HydrophobicContact CE1-CZ 3.41Å; F240-F330 VanDerWaalsContact CE1-CZ 3.41Å; F240-F330 HydrophobicContact CE2-CE1 4.05Å; F240-F330 HydrophobicContact CE2-CZ 4.16Å; F240-F330 HydrophobicContact CG-CE1 4.23Å; F240-F330 HydrophobicContact CG-CE2 4.13Å; F240-F330 AromaticContact CG-CZ 3.51Å; F240-F330 HydrophobicContact CG-CZ 3.51Å; F240-F330 HydrophobicContact CZ-CD1 4.28Å; F240-F330 AromaticContact CZ-CE1 3.74Å; F240-F330 HydrophobicContact CZ-CE1 3.74Å; F240-F330 AromaticContact CZ-CZ 3.9Å; F240-F330 HydrophobicContact CZ-CZ 3.9Å; F240-V333 HydrophobicContact CE1-CB 3.98Å; F240-V333 HydrophobicContact CE1-CG1 4.08Å; F240-V333 HydrophobicContact CE1-CG2 3.84Å; F240-V333 HydrophobicContact CZ-CB 4.23Å; F240-V333 HydrophobicContact CZ-CG1 3.94Å; F240-Y413 HydrophobicContact CD2-CE1 4.09Å; F240-Y413 AromaticContact CE2-CE1 3.72Å; F240-Y413 HydrophobicContact CE2-CE1 3.72Å
241L97.8Very high94.9Very high48 Ų4834.3 Ų34.325%0.25116%0.158SC..EExtended strand (participates in β ladder)trans-61.4142.5170.8-168.864.5000109.9A123 R126 L127 L130 S239 Y243A123-L241 HydrophobicContact CB-CD1 3.79Å; R126-L241 HydrophobicContact CB-CD1 4.47Å; L127-L241 HydrophobicContact CD2-CD1 4.09Å; L127-L241 HydrophobicContact CD2-CD2 4.04Å; L127-L241 HydrophobicContact CD2-CG 4.02Å; L127-L241 HydrophobicContact CG-CD1 4.18Å; L130-L241 HydrophobicContact CD1-CD2 3.84Å; S239-L241 PolarHBondContact O-N 3.43Å; L241-Y243 WeakPolarHBondContact O-CD2 3.31Å; L241-Y243 PolarHBondContact O-N 2.74Å
242C97.9Very high95.8Very high21 Ų2130.4 Ų30.414%0.14214%0.139CC..THydrogen-bonded Turntrans69.99.1-172.8-56.80000115.8A205 R251 C284A205-C242 WeakPolarHBondContact O-CA 3.41Å; A205-C242 PolarHBondContact O-N 2.84Å; C242-R251 PolarHBondContact O-NH1 2.71Å; C242-C284 WeakPolarHBondContact CA-SG 3.26Å; C242-C284 HydrophobicContact CB-CB 3.52Å; C242-C284 WeakPolarHBondContact CB-SG 3.4Å; C242-C284 WeakPolarHBondContact SG-CA 3.4Å; C242-C284 WeakPolarHBondContact SG-CB 3.36Å; C242-C284 CovalentContact SG-SG 2.03Å; C242-C284 PolarHBondContact SG-SG 2.97Å
243Y98.4Very high96.4Very high18 Ų1825.5 Ų25.57%0.07112%0.117CC..  trans-112.913.5172.8-70-100.2000112.6L202 F240 L241 R251 L317 F318 F330 N331 F404L202-Y243 WeakPolarHBondContact CD1-O 3.38Å; F240-Y243 HydrophobicContact CB-CD2 3.78Å; F240-Y243 HydrophobicContact CB-CG 3.93Å; F240-Y243 PolarHBondContact O-N 3.2Å; L241-Y243 WeakPolarHBondContact O-CD2 3.31Å; L241-Y243 PolarHBondContact O-N 2.74Å; Y243-R251 PolarHBondContact OH-NH2 3.06Å; Y243-L317 HydrophobicContact CE1-CB 4.36Å; Y243-L317 PolarHBondContact OH-O 3.19Å; Y243-F318 HydrophobicContact CD1-CE1 4.38Å; Y243-F318 HydrophobicContact CE1-CD1 4.3Å; Y243-F318 HydrophobicContact CE1-CE1 4.29Å; Y243-F330 AromaticContact CD1-CE2 3.77Å; Y243-F330 HydrophobicContact CD1-CE2 3.77Å; Y243-F330 AromaticContact CD1-CZ 3.91Å; Y243-F330 HydrophobicContact CD1-CZ 3.91Å; Y243-F330 HydrophobicContact CD2-CE2 4.26Å; Y243-F330 HydrophobicContact CE1-CD2 4.19Å; Y243-F330 AromaticContact CE1-CE2 3.39Å; Y243-F330 HydrophobicContact CE1-CE2 3.39Å; Y243-F330 HydrophobicContact CE1-CZ 4.01Å; Y243-F330 AromaticContact CE2-CE2 3.96Å; Y243-F330 HydrophobicContact CE2-CE2 3.96Å; Y243-F330 HydrophobicContact CG-CE2 4.2Å; Y243-F330 HydrophobicContact CG-CZ 4.26Å; Y243-F330 AromaticContact CZ-CE2 3.52Å; Y243-N331 PolarHBondContact OH-ND2 2.78Å; Y243-F404 HydrophobicContact CD1-CE2 4.1Å; Y243-F404 HydrophobicContact CD1-CZ 4.24Å; Y243-F404 WeakPolarHBondContact O-CZ 3.44Å
244G97.9Very high96.8Very high0 Ų024 Ų240%011%0.112CC..SBendtrans-72.6158.4164.500000111.2G203 G204 S206 D246 Q247 V248G203-G244 CarbonylContact O-C 3.53Å; G203-G244 WeakPolarHBondContact O-CA 3.25Å; G204-G244 CarbonylContact O-C 3.52Å; G204-G244 WeakPolarHBondContact O-CA 3.4Å; S206-G244 WeakPolarHBondContact O-CA 3.48Å; G244-D246 PolarHBondContact O-N 2.89Å; G244-Q247 PolarHBondContact O-N 3.42Å; G244-V248 WeakPolarHBondContact O-CB 3.2Å; G244-V248 VanDerWaalsContact O-CG2 3.29Å; G244-V248 WeakPolarHBondContact O-CG2 3.29Å; G244-V248 PolarHBondContact O-N 3.15Å
245R97Very high97.1Very high54 Ų5420.8 Ų20.820%0.20410%0.104CC..Hα-helixtrans-48.2-55-174.5175.3-174.6167.6-99.41.7113G203 G204 Q247 V248 L249 A347 H394G203-R245 PolarHBondContact O-N 3Å; G204-R245 PolarHBondContact O-N 3.32Å; R245-Q247 PolarHBondContact O-N 3.34Å; R245-V248 PolarHBondContact O-N 3.08Å; R245-L249 HydrophobicContact CG-CD1 4.12Å; R245-L249 VanDerWaalsContact O-CG 3.28Å; R245-L249 WeakPolarHBondContact O-CG 3.38Å; R245-L249 PolarHBondContact O-N 2.83Å; R245-A347 HydrophobicContact CB-CB 4.26Å; R245-H394 PolarHBondContact NH2-ND1 3.41Å
246D95.6Very high97.3Very high42 Ų4220.8 Ų20.823%0.22510%0.104CC..Hα-helixtrans-69.3-38.7-171.4-54.8-27.7000110.8S49 G204 G244 L249 Q250S49-D246 PolarHBondContact OG-OD2 2.88Å; G204-D246 WeakPolarHBondContact CA-OD2 3.09Å; G204-D246 WeakPolarHBondContact O-CA 3.25Å; G204-D246 WeakPolarHBondContact O-CB 3.48Å; G204-D246 PolarHBondContact O-N 3.04Å; G244-D246 PolarHBondContact O-N 2.89Å; D246-L249 PolarHBondContact O-N 3.06Å; D246-Q250 WeakPolarHBondContact O-CG 3.18Å; D246-Q250 PolarHBondContact O-N 3.03Å
247Q97.6Very high97.2Very high22 Ų2222.3 Ų22.310%0.10311%0.112CC..Hα-helixtrans-71-34.5176.1-65.4-58.4-49.500112.5L127 G204 A205 G244 R245 Q250 R251 S282 C284L127-Q247 HydrophobicContact CD1-CG 4.03Å; G204-Q247 PolarHBondContact O-N 2.9Å; G204-Q247 VanDerWaalsContact O-N 3.16Å; A205-Q247 HydrophobicContact CB-CG 3.89Å; G244-Q247 PolarHBondContact O-N 3.42Å; R245-Q247 PolarHBondContact O-N 3.34Å; Q247-Q250 PolarHBondContact O-N 3.23Å; Q247-R251 WeakPolarHBondContact O-CB 3.34Å; Q247-R251 VanDerWaalsContact O-CG 3.25Å; Q247-R251 WeakPolarHBondContact O-CG 3.43Å; Q247-R251 PolarHBondContact O-N 3.44Å; Q247-S282 PolarHBondContact OE1-OG 3.37Å; Q247-C284 HydrophobicContact CB-CB 4.4Å; Q247-C284 VanDerWaalsContact OE1-CB 3.24Å; Q247-C284 PolarHBondContact OE1-SG 3.17Å
248V98.2Very high96.9Very high2 Ų226.9 Ų26.91%0.01213%0.133CC..Hα-helixtrans-63-46.1171.61650000110.5G244 R245 Q250 R251 L252 L317 F404G244-V248 WeakPolarHBondContact O-CB 3.2Å; G244-V248 VanDerWaalsContact O-CG2 3.29Å; G244-V248 WeakPolarHBondContact O-CG2 3.29Å; G244-V248 PolarHBondContact O-N 3.15Å; R245-V248 PolarHBondContact O-N 3.08Å; V248-Q250 VanDerWaalsContact C-N 3.33Å; V248-Q250 PolarHBondContact O-N 2.94Å; V248-R251 PolarHBondContact O-N 3.45Å; V248-L252 HydrophobicContact CG1-CD1 3.87Å; V248-L252 HydrophobicContact CG1-CG 4.29Å; V248-L252 WeakPolarHBondContact O-CB 3.32Å; V248-L252 VanDerWaalsContact O-CG 3.28Å; V248-L252 WeakPolarHBondContact O-CG 3.35Å; V248-L252 PolarHBondContact O-N 3.24Å; V248-L317 HydrophobicContact CG1-CD1 3.76Å; V248-F404 HydrophobicContact CG1-CB 4.17Å; V248-F404 HydrophobicContact CG1-CD1 4.22Å; V248-F404 HydrophobicContact CG1-CD2 3.84Å; V248-F404 HydrophobicContact CG1-CE2 4.29Å; V248-F404 HydrophobicContact CG1-CG 3.8Å; V248-F404 HydrophobicContact CG2-CD1 4.33Å; V248-F404 HydrophobicContact CG2-CD2 4.14Å; V248-F404 HydrophobicContact CG2-CE1 3.95Å; V248-F404 HydrophobicContact CG2-CE2 3.74Å; V248-F404 HydrophobicContact CG2-CG 4.42Å; V248-F404 HydrophobicContact CG2-CZ 3.63Å
249L97.6Very high96.6Very high25 Ų2529 Ų2913%0.13115%0.149CC..Hα-helixtrans-60.1-42.5176.5-67.2170.3000111.5R245 D246 L252 L253 D397 A400R245-L249 HydrophobicContact CG-CD1 4.12Å; R245-L249 VanDerWaalsContact O-CG 3.28Å; R245-L249 WeakPolarHBondContact O-CG 3.38Å; R245-L249 PolarHBondContact O-N 2.83Å; D246-L249 PolarHBondContact O-N 3.06Å; L249-L252 PolarHBondContact O-N 3.18Å; L249-L253 WeakPolarHBondContact O-CB 3.34Å; L249-L253 PolarHBondContact O-N 3.27Å; L249-D397 HydrophobicContact CD1-CB 3.75Å; L249-D397 HydrophobicContact CD2-CB 3.89Å; L249-D397 HydrophobicContact CG-CB 4.5Å; L249-A400 HydrophobicContact CD2-CB 3.65Å
250Q96.8Very high96.2Very high59 Ų5930.6 Ų30.628%0.27616%0.155SC..Hα-helixtrans-62.5-42.4174.5-74.2-175.5-500112.7D246 Q247 V248 L253 A254 T285D246-Q250 WeakPolarHBondContact O-CG 3.18Å; D246-Q250 PolarHBondContact O-N 3.03Å; Q247-Q250 PolarHBondContact O-N 3.23Å; V248-Q250 VanDerWaalsContact C-N 3.33Å; V248-Q250 PolarHBondContact O-N 2.94Å; Q250-L253 PolarHBondContact O-N 2.96Å; Q250-A254 WeakPolarHBondContact O-CB 3.48Å; Q250-A254 PolarHBondContact O-N 3.22Å; Q250-T285 HydrophobicContact CB-CG2 4.02Å
251R98.2Very high95.7Very high28 Ų2835.7 Ų35.711%0.10619%0.191CC..Hα-helixtrans-65.3-39.1176.7-72.9170.865.4-156.4-2112.5C242 Y243 Q247 V248 S255 C284 T285 Q288 L317C242-R251 PolarHBondContact O-NH1 2.71Å; Y243-R251 PolarHBondContact OH-NH2 3.06Å; Q247-R251 WeakPolarHBondContact O-CB 3.34Å; Q247-R251 VanDerWaalsContact O-CG 3.25Å; Q247-R251 WeakPolarHBondContact O-CG 3.43Å; Q247-R251 PolarHBondContact O-N 3.44Å; V248-R251 PolarHBondContact O-N 3.45Å; R251-S255 WeakPolarHBondContact O-CB 3.46Å; R251-S255 PolarHBondContact O-N 3.44Å; R251-C284 HydrophobicContact CG-CB 4.36Å; R251-C284 WeakPolarHBondContact CG-O 3.45Å; R251-T285 HydrophobicContact CB-CG2 4.48Å; R251-T285 HydrophobicContact CG-CG2 3.84Å; R251-Q288 PolarHBondContact O-NE2 2.82Å; R251-L317 HydrophobicContact CB-CD2 3.94Å; R251-L317 PolarHBondContact NH2-O 3.39Å
252L98.1Very high95.7Very high1 Ų137 Ų371%0.00520%0.195CC..Hα-helixtrans-67-41.7174.8-68.9173.9000111.3V248 L249 S255 A256 L313 V314 L317 A400V248-L252 HydrophobicContact CG1-CD1 3.87Å; V248-L252 HydrophobicContact CG1-CG 4.29Å; V248-L252 WeakPolarHBondContact O-CB 3.32Å; V248-L252 VanDerWaalsContact O-CG 3.28Å; V248-L252 WeakPolarHBondContact O-CG 3.35Å; V248-L252 PolarHBondContact O-N 3.24Å; L249-L252 PolarHBondContact O-N 3.18Å; L252-S255 PolarHBondContact O-N 2.63Å; L252-A256 VanDerWaalsContact O-CB 3.3Å; L252-A256 WeakPolarHBondContact O-CB 3.5Å; L252-A256 PolarHBondContact O-N 2.85Å; L252-L313 HydrophobicContact CB-CD2 4.28Å; L252-L313 HydrophobicContact CD2-CB 4.36Å; L252-L313 HydrophobicContact CD2-CD2 4.04Å; L252-L313 HydrophobicContact CD2-CG 3.82Å; L252-V314 HydrophobicContact CD1-CG2 3.95Å; L252-V314 HydrophobicContact CD2-CG2 3.91Å; L252-L317 HydrophobicContact CD2-CD1 3.95Å; L252-L317 HydrophobicContact CD2-CD2 4.24Å; L252-L317 HydrophobicContact CD2-CG 4.14Å; L252-L317 HydrophobicContact CG-CD1 4.27Å; L252-A400 HydrophobicContact CD1-CB 3.88Å
253L97.1Very high95.7Very high24 Ų2436.1 Ų36.113%0.12619%0.189CC..Hα-helixtrans-61.6-46.9174.8176.258000111.7L249 Q250 S255 A256 L257 W266 V274 V279 L301L249-L253 WeakPolarHBondContact O-CB 3.34Å; L249-L253 PolarHBondContact O-N 3.27Å; Q250-L253 PolarHBondContact O-N 2.96Å; L253-S255 VanDerWaalsContact C-N 3.33Å; L253-S255 PolarHBondContact O-N 3.3Å; L253-A256 PolarHBondContact O-N 3.16Å; L253-L257 HydrophobicContact CD1-CD1 4.18Å; L253-L257 HydrophobicContact CD1-CG 4.34Å; L253-L257 HydrophobicContact CG-CD1 4.23Å; L253-L257 WeakPolarHBondContact O-CG 3.33Å; L253-L257 PolarHBondContact O-N 3.39Å; L253-W266 HydrophobicContact CD1-CH2 3.95Å; L253-W266 HydrophobicContact CD1-CZ2 4.36Å; L253-V274 HydrophobicContact CD1-CG2 4.32Å; L253-V274 HydrophobicContact CD2-CG1 3.9Å; L253-V274 HydrophobicContact CD2-CG2 4.43Å; L253-V279 HydrophobicContact CD2-CG2 3.79Å; L253-V279 HydrophobicContact CG-CG1 4.47Å; L253-V279 HydrophobicContact CG-CG2 4.19Å; L253-L301 HydrophobicContact CD1-CD2 3.36Å
254A96.1Very high95.6Very high0 Ų035.2 Ų35.20%019%0.185CC..Hα-helixtrans-58-46.1174.500000111.3Q250 L257 Q258 V279 Y280 T285 Q288Q250-A254 WeakPolarHBondContact O-CB 3.48Å; Q250-A254 PolarHBondContact O-N 3.22Å; A254-L257 PolarHBondContact O-N 2.93Å; A254-Q258 WeakPolarHBondContact O-CG 3.48Å; A254-Q258 PolarHBondContact O-N 3.01Å; A254-V279 HydrophobicContact CB-CG1 3.75Å; A254-Y280 HydrophobicContact CB-CD1 4.4Å; A254-Y280 HydrophobicContact CB-CE1 3.75Å; A254-T285 HydrophobicContact CB-CG2 4.2Å; A254-Q288 HydrophobicContact CB-CB 4.04Å
255S96.3Very high95.7Very high28 Ų2835.3 Ų35.320%0.19619%0.186CC..Hα-helixtrans-64.5-44.5177.8-168.70000111.7R251 L252 L253 L257 Q258 T259 L313R251-S255 WeakPolarHBondContact O-CB 3.46Å; R251-S255 PolarHBondContact O-N 3.44Å; L252-S255 PolarHBondContact O-N 2.63Å; L253-S255 VanDerWaalsContact C-N 3.33Å; L253-S255 PolarHBondContact O-N 3.3Å; S255-L257 VanDerWaalsContact C-N 3.33Å; S255-L257 PolarHBondContact O-N 2.97Å; S255-Q258 PolarHBondContact O-N 3.47Å; S255-Q258 VanDerWaalsContact O-N 3.11Å; S255-T259 PolarHBondContact O-N 3.06Å; S255-T259 PolarHBondContact O-OG1 3.3Å; S255-L313 VanDerWaalsContact OG-CD1 3.25Å; S255-L313 WeakPolarHBondContact OG-CD1 3.4Å
256A96.5Very high95.7Very high0 Ų033.6 Ų33.60%018%0.179CC..Hα-helixtrans-60.8-41.1178.200000111.7L252 L253 Q258 H260 H263 L313L252-A256 VanDerWaalsContact O-CB 3.3Å; L252-A256 WeakPolarHBondContact O-CB 3.5Å; L252-A256 PolarHBondContact O-N 2.85Å; L253-A256 PolarHBondContact O-N 3.16Å; A256-Q258 VanDerWaalsContact C-N 3.26Å; A256-Q258 PolarHBondContact O-N 3.05Å; A256-H260 CarbonylContact O-C 3.29Å; A256-H260 VanDerWaalsContact O-C 3.24Å; A256-H260 VanDerWaalsContact O-CA 3.29Å; A256-H260 WeakPolarHBondContact O-CA 3.24Å; A256-H260 WeakPolarHBondContact O-CB 3.46Å; A256-H260 PolarHBondContact O-N 3.37Å; A256-H263 HydrophobicContact CB-CB 4.48Å; A256-L313 HydrophobicContact CB-CD2 4.12Å
257L94.1Very high95.8Very high36 Ų3631.8 Ų31.819%0.18817%0.17CC..Hα-helixtrans-64.5-28.6175.7-75.2165.5000113.3L253 A254 S255 L276 V279 V299 L301L253-L257 HydrophobicContact CD1-CD1 4.18Å; L253-L257 HydrophobicContact CD1-CG 4.34Å; L253-L257 HydrophobicContact CG-CD1 4.23Å; L253-L257 WeakPolarHBondContact O-CG 3.33Å; L253-L257 PolarHBondContact O-N 3.39Å; A254-L257 PolarHBondContact O-N 2.93Å; S255-L257 VanDerWaalsContact C-N 3.33Å; S255-L257 PolarHBondContact O-N 2.97Å; L257-L276 HydrophobicContact CD1-CD2 4.08Å; L257-V279 HydrophobicContact CD1-CG1 4.27Å; L257-V279 HydrophobicContact CD1-CG2 4.27Å; L257-V299 HydrophobicContact CD2-CG1 4.09Å; L257-L301 HydrophobicContact CD2-CD1 4.09Å; L257-L301 HydrophobicContact CD2-CD2 4.19Å; L257-L301 HydrophobicContact CG-CD2 4.32Å
258Q90.6Very high95.9Very high96 Ų9638.2 Ų38.245%0.44919%0.193SC..Hα-helixtrans-83.4-43.2178.9-71.9-176.3-30.100112.8A254 S255 A256 Q288A254-Q258 WeakPolarHBondContact O-CG 3.48Å; A254-Q258 PolarHBondContact O-N 3.01Å; S255-Q258 PolarHBondContact O-N 3.47Å; S255-Q258 VanDerWaalsContact O-N 3.11Å; A256-Q258 VanDerWaalsContact C-N 3.26Å; A256-Q258 PolarHBondContact O-N 3.05Å; Q258-Q288 VanDerWaalsContact NE2-C 3.26Å; Q258-Q288 PolarHBondContact NE2-O 3.26Å
259T91.4Very high95.8Very high80 Ų8041.1 Ų41.149%0.49122%0.224SC..Hα-helixtrans-97.4-21-170.360.90000113S255S255-T259 PolarHBondContact O-N 3.06Å; S255-T259 PolarHBondContact O-OG1 3.3Å
260H87.9Confident95.8Very high51 Ų5142 Ų4224%0.23623%0.226CC..  trans-136.9163.2-174.5-52.5-52.6000110.7A256 F262A256-H260 CarbonylContact O-C 3.29Å; A256-H260 VanDerWaalsContact O-C 3.24Å; A256-H260 VanDerWaalsContact O-CA 3.29Å; A256-H260 WeakPolarHBondContact O-CA 3.24Å; A256-H260 WeakPolarHBondContact O-CB 3.46Å; A256-H260 PolarHBondContact O-N 3.37Å; H260-F262 VanDerWaalsContact C-N 3.35Å; H260-F262 VanDerWaalsContact CB-O 3.26Å; H260-F262 WeakPolarHBondContact CB-O 3.13Å
261S89.3Confident95.8Very high115 Ų11542 Ų4280%0.80423%0.233SC*.SBendtrans-99.413.6169.4-51.70000112.1
262F96.2Very high95.6Very high74 Ų7443.2 Ų43.233%0.32524%0.244SC..SBendtrans-153.5162.6-176.956.9-95.9000109.4H260 P264 S302 S304 L309H260-F262 VanDerWaalsContact C-N 3.35Å; H260-F262 VanDerWaalsContact CB-O 3.26Å; H260-F262 WeakPolarHBondContact CB-O 3.13Å; F262-P264 WeakPolarHBondContact O-CD 3.27Å; F262-S302 CarbonylContact C-O 3.24Å; F262-S302 WeakPolarHBondContact CA-O 3.4Å; F262-S302 VanDerWaalsContact CB-O 3.31Å; F262-S302 WeakPolarHBondContact CB-O 3.25Å; F262-S304 WeakPolarHBondContact CD2-OG 3.41Å; F262-L309 HydrophobicContact CE2-CD1 4.08Å; F262-L309 HydrophobicContact CZ-CD1 4.19Å
263H98.1Very high95.5Very high3 Ų349 Ų491%0.01427%0.27CS..EExtended strand (participates in β ladder)trans-100.6109179.2-162.7-64.9000110.8A256 C265 W266 L301 S302 G303 S304A256-H263 HydrophobicContact CB-CB 4.48Å; H263-C265 VanDerWaalsContact C-N 3.31Å; H263-C265 PolarHBondContact ND1-N 3.26Å; H263-C265 PolarHBondContact O-N 2.95Å; H263-W266 HydrophobicContact CB-CB 3.99Å; H263-W266 HydrophobicContact CB-CD2 3.63Å; H263-W266 HydrophobicContact CB-CE3 3.48Å; H263-W266 VanDerWaalsContact CB-CE3 3.48Å; H263-W266 HydrophobicContact CB-CG 3.88Å; H263-W266 HydrophobicContact CB-CZ3 4.19Å; H263-W266 AromaticContact CG-CD2 3.62Å; H263-W266 AromaticContact CG-CE3 3.95Å; H263-W266 AromaticContact CG-CG 3.74Å; H263-W266 AromaticContact ND1-CD1 3.85Å; H263-W266 AromaticContact ND1-CG 3.7Å; H263-W266 PolarHBondContact ND1-N 3.47Å; H263-W266 PolarHBondContact O-N 2.95Å; H263-W266 VanDerWaalsContact O-N 3.07Å; H263-L301 HydrophobicContact CB-CD2 3.88Å; H263-L301 HydrophobicContact CB-CG 4.23Å; H263-S302 PolarHBondContact N-O 2.8Å; H263-G303 WeakPolarHBondContact O-CA 3.48Å; H263-S304 PolarHBondContact O-N 2.89Å
264P98.1Very high95.3Very high0 Ų048.4 Ų48.40%027%0.268CS..EExtended strand (participates in β ladder)trans-66.2-32-172.825.6-34.1000113.7F262 W266 S304 D306 L309 C310 L313F262-P264 WeakPolarHBondContact O-CD 3.27Å; P264-W266 VanDerWaalsContact C-N 3.3Å; P264-W266 PolarHBondContact O-N 2.83Å; P264-S304 WeakPolarHBondContact CA-OG 3.42Å; P264-D306 HydrophobicContact CB-CB 4.21Å; P264-D306 PolarHBondContact O-N 2.02Å; P264-D306 VanDerWaalsContact O-N 3.07Å; P264-L309 HydrophobicContact CB-CB 3.51Å; P264-L309 HydrophobicContact CG-CB 4.08Å; P264-C310 HydrophobicContact CB-CB 4.47Å; P264-L313 HydrophobicContact CG-CD2 3.89Å
265C98.4Very high95.3Very high1 Ų150.1 Ų50.11%0.00728%0.277CS..EExtended strand (participates in β ladder)trans-79.8-7.6176.4-520000114.3H263 C310 C399 A400H263-C265 VanDerWaalsContact C-N 3.31Å; H263-C265 PolarHBondContact ND1-N 3.26Å; H263-C265 PolarHBondContact O-N 2.95Å; C265-C310 VanDerWaalsContact CA-SG 3.52Å; C265-C310 HydrophobicContact CB-CB 3.87Å; C265-C310 WeakPolarHBondContact CB-SG 3.28Å; C265-C310 WeakPolarHBondContact SG-CA 3.22Å; C265-C310 WeakPolarHBondContact SG-CB 3.28Å; C265-C310 CovalentContact SG-SG 2.03Å; C265-C310 PolarHBondContact SG-SG 3.48Å; C265-C399 VanDerWaalsContact CA-SG 3.59Å; C265-C399 VanDerWaalsContact O-CB 3.26Å; C265-C399 WeakPolarHBondContact O-CB 3.21Å; C265-C399 PolarHBondContact O-SG 2.8Å; C265-A400 HydrophobicContact CB-CB 3.73Å
266W98.3Very high95.1Very high18 Ų1849.9 Ų49.97%0.06827%0.274CS..EExtended strand (participates in β ladder)trans-88.9146.3175.4-76.9-15.3000110L253 H263 P264 F270 T272 V274 L301 G303 S304 S305 D397L253-W266 HydrophobicContact CD1-CH2 3.95Å; L253-W266 HydrophobicContact CD1-CZ2 4.36Å; H263-W266 HydrophobicContact CB-CB 3.99Å; H263-W266 HydrophobicContact CB-CD2 3.63Å; H263-W266 HydrophobicContact CB-CE3 3.48Å; H263-W266 VanDerWaalsContact CB-CE3 3.48Å; H263-W266 HydrophobicContact CB-CG 3.88Å; H263-W266 HydrophobicContact CB-CZ3 4.19Å; H263-W266 AromaticContact CG-CD2 3.62Å; H263-W266 AromaticContact CG-CE3 3.95Å; H263-W266 AromaticContact CG-CG 3.74Å; H263-W266 AromaticContact ND1-CD1 3.85Å; H263-W266 AromaticContact ND1-CG 3.7Å; H263-W266 PolarHBondContact ND1-N 3.47Å; H263-W266 PolarHBondContact O-N 2.95Å; H263-W266 VanDerWaalsContact O-N 3.07Å; P264-W266 VanDerWaalsContact C-N 3.3Å; P264-W266 PolarHBondContact O-N 2.83Å; W266-F270 HydrophobicContact CB-CD1 4.21Å; W266-F270 AromaticContact CD2-CD1 3.92Å; W266-F270 HydrophobicContact CD2-CD1 3.92Å; W266-F270 AromaticContact CD2-CE1 3.85Å; W266-F270 HydrophobicContact CD2-CE1 3.85Å; W266-F270 AromaticContact CE3-CD1 3.9Å; W266-F270 HydrophobicContact CE3-CD1 3.9Å; W266-F270 AromaticContact CE3-CE1 3.89Å; W266-F270 HydrophobicContact CE3-CE1 3.89Å; W266-F270 HydrophobicContact CG-CD1 4.07Å; W266-F270 HydrophobicContact CG-CE1 4.33Å; W266-F270 HydrophobicContact CH2-CE1 4.44Å; W266-F270 HydrophobicContact CZ2-CE1 4.4Å; W266-F270 HydrophobicContact CZ3-CE1 4.18Å; W266-T272 HydrophobicContact CH2-CG2 3.67Å; W266-T272 HydrophobicContact CZ3-CG2 3.82Å; W266-V274 HydrophobicContact CH2-CG2 4.33Å; W266-L301 HydrophobicContact CE3-CD2 4.45Å; W266-L301 HydrophobicContact CH2-CD2 4.28Å; W266-L301 HydrophobicContact CZ3-CB 4.06Å; W266-L301 HydrophobicContact CZ3-CD2 3.83Å; W266-L301 HydrophobicContact CZ3-CG 4.09Å; W266-G303 CarbonylContact O-C 3.54Å; W266-G303 VanDerWaalsContact O-CA 3.24Å; W266-G303 WeakPolarHBondContact O-CA 3.35Å; W266-S304 PolarHBondContact O-N 2.97Å; W266-S304 VanDerWaalsContact O-N 3.09Å; W266-S305 PolarHBondContact O-N 3.24Å; W266-D397 PolarHBondContact NE1-OD1 3Å
267P98Very high94.9Very high5 Ų550 Ų503%0.03227%0.274CS..EExtended strand (participates in β ladder)trans-69.8139.5-177.927.9-33.2000111.1G269 F270 S305 Q379 W381 L384 A396P267-G269 PolarHBondContact O-N 3.28Å; P267-F270 HydrophobicContact CG-CB 3.9Å; P267-F270 VanDerWaalsContact O-CB 3.25Å; P267-F270 WeakPolarHBondContact O-CB 3.46Å; P267-F270 PolarHBondContact O-N 2.9Å; P267-S305 WeakPolarHBondContact CA-OG 3.48Å; P267-Q379 WeakPolarHBondContact CB-O 3.44Å; P267-W381 HydrophobicContact CB-CB 4.33Å; P267-W381 HydrophobicContact CB-CE3 4.48Å; P267-W381 HydrophobicContact CG-CB 4.33Å; P267-W381 HydrophobicContact CG-CD2 4.38Å; P267-W381 HydrophobicContact CG-CE3 3.53Å; P267-W381 HydrophobicContact CG-CZ3 4.22Å; P267-L384 HydrophobicContact CB-CD1 3.71Å; P267-L384 HydrophobicContact CG-CD1 3.82Å; P267-A396 HydrophobicContact CG-CB 4.38Å
268R98.4Very high94.7Very high156 Ų15652.6 Ų52.659%0.58929%0.288SS*.EExtended strand (participates in β ladder)trans-56.5130.5175.1-172.3-177.1-59.2-1772110.6G303 S304 S305 T380 W381R268-G303 WeakPolarHBondContact CA-O 3.19Å; R268-S304 PolarHBondContact NE-O 3.07Å; R268-S304 PolarHBondContact NH2-O 2.85Å; R268-S305 WeakPolarHBondContact CB-OG 3.43Å; R268-S305 PolarHBondContact N-OG 3.2Å; R268-T380 HydrophobicContact CB-CG2 4.42Å; R268-W381 WeakPolarHBondContact O-CB 3.48Å; R268-W381 PolarHBondContact O-N 2.74Å
269G97.1Very high94.8Very high64 Ų6448.1 Ų48.166%0.6627%0.268SS*.THydrogen-bonded Turntrans92.7-9-174.800000114P267P267-G269 PolarHBondContact O-N 3.28Å
270F96.9Very high94.8Very high42 Ų4244.8 Ų44.818%0.18425%0.246CC..  trans-85.4134.4164.8-179.4-102.5000109.7W266 P267 T272 S302 G303 W381 A396W266-F270 HydrophobicContact CB-CD1 4.21Å; W266-F270 AromaticContact CD2-CD1 3.92Å; W266-F270 HydrophobicContact CD2-CD1 3.92Å; W266-F270 AromaticContact CD2-CE1 3.85Å; W266-F270 HydrophobicContact CD2-CE1 3.85Å; W266-F270 AromaticContact CE3-CD1 3.9Å; W266-F270 HydrophobicContact CE3-CD1 3.9Å; W266-F270 AromaticContact CE3-CE1 3.89Å; W266-F270 HydrophobicContact CE3-CE1 3.89Å; W266-F270 HydrophobicContact CG-CD1 4.07Å; W266-F270 HydrophobicContact CG-CE1 4.33Å; W266-F270 HydrophobicContact CH2-CE1 4.44Å; W266-F270 HydrophobicContact CZ2-CE1 4.4Å; W266-F270 HydrophobicContact CZ3-CE1 4.18Å; P267-F270 HydrophobicContact CG-CB 3.9Å; P267-F270 VanDerWaalsContact O-CB 3.25Å; P267-F270 WeakPolarHBondContact O-CB 3.46Å; P267-F270 PolarHBondContact O-N 2.9Å; F270-T272 HydrophobicContact CE1-CG2 4.26Å; F270-T272 HydrophobicContact CZ-CG2 4.44Å; F270-S302 CarbonylContact O-C 3.56Å; F270-S302 WeakPolarHBondContact O-CA 3.42Å; F270-G303 PolarHBondContact O-N 2.89Å; F270-W381 HydrophobicContact CB-CB 4.15Å; F270-W381 HydrophobicContact CB-CD2 4Å; F270-W381 HydrophobicContact CB-CE3 4.23Å; F270-W381 HydrophobicContact CB-CG 3.98Å; F270-W381 AromaticContact CD2-CD2 3.97Å; F270-W381 HydrophobicContact CD2-CD2 3.97Å; F270-W381 AromaticContact CD2-CE2 3.78Å; F270-W381 HydrophobicContact CD2-CE3 4.18Å; F270-W381 HydrophobicContact CD2-CH2 4.04Å; F270-W381 AromaticContact CD2-CZ2 3.84Å; F270-W381 HydrophobicContact CD2-CZ2 3.84Å; F270-W381 HydrophobicContact CD2-CZ3 4.2Å; F270-W381 HydrophobicContact CE2-CH2 4.29Å; F270-W381 HydrophobicContact CE2-CZ2 4.23Å; F270-W381 HydrophobicContact CG-CD2 4.42Å; F270-A396 HydrophobicContact CD1-CB 3.86Å; F270-A396 HydrophobicContact CD2-CB 4.15Å; F270-A396 HydrophobicContact CE1-CB 3.75Å; F270-A396 HydrophobicContact CE2-CB 4.05Å; F270-A396 HydrophobicContact CG-CB 4.06Å; F270-A396 HydrophobicContact CZ-CB 3.85Å
271S96.1Very high94.8Very high59 Ų5948.7 Ų48.741%0.41327%0.265SS..EExtended strand (participates in β ladder)trans-147.3145.2173.9-176.60000109.3S300 L301 S302S271-S300 PolarHBondContact OG-OG 2.89Å; S271-L301 WeakPolarHBondContact CA-O 3.45Å; S271-L301 PolarHBondContact OG-O 2.98Å; S271-S302 WeakPolarHBondContact CB-OG 2.98Å; S271-S302 PolarHBondContact OG-OG 2.88Å; S271-S302 VanDerWaalsContact OG-OG 3.08Å
272T95.4Very high94.9Very high55 Ų5543.9 Ų43.934%0.33723%0.231SC..EExtended strand (participates in β ladder)trans-144.8160.8174.8-169.70000110.7W266 F270 V274 L301W266-T272 HydrophobicContact CH2-CG2 3.67Å; W266-T272 HydrophobicContact CZ3-CG2 3.82Å; F270-T272 HydrophobicContact CE1-CG2 4.26Å; F270-T272 HydrophobicContact CZ-CG2 4.44Å; T272-V274 HydrophobicContact CG2-CG2 3.97Å; T272-L301 PolarHBondContact N-O 2.84Å; T272-L301 VanDerWaalsContact N-O 3.13Å; T272-L301 PolarHBondContact O-N 3.01Å
273H95Very high94.8Very high121 Ų12142.5 Ų42.556%0.5623%0.229SC*.EExtended strand (participates in β ladder)trans-89.4130167.6-68.9-82.7000109.2W298 V299H273-W298 HydrophobicContact CB-CE3 3.76Å; H273-W298 HydrophobicContact CB-CZ3 4.28Å; H273-V299 WeakPolarHBondContact CA-O 3.1Å
274V93.9Very high94.7Very high13 Ų1343 Ų438%0.07923%0.233CC..EExtended strand (participates in β ladder)trans-114.1124.1-178178.90000108.6L253 W266 T272 V279 W298 V299 L301L253-V274 HydrophobicContact CD1-CG2 4.32Å; L253-V274 HydrophobicContact CD2-CG1 3.9Å; L253-V274 HydrophobicContact CD2-CG2 4.43Å; W266-V274 HydrophobicContact CH2-CG2 4.33Å; T272-V274 HydrophobicContact CG2-CG2 3.97Å; V274-V279 HydrophobicContact CG1-CG2 3.29Å; V274-W298 WeakPolarHBondContact O-CA 3.19Å; V274-V299 PolarHBondContact N-O 3.04Å; V274-V299 PolarHBondContact O-N 3.49Å; V274-L301 HydrophobicContact CG2-CB 4.48Å
275L94.8Very high94.6Very high36 Ų3643 Ų4319%0.18823%0.233CC..EExtended strand (participates in β ladder)trans-78.7121.1171.2-179.258000109.2G277 D278 V279 S295 W298L275-G277 PolarHBondContact O-N 3.46Å; L275-D278 PolarHBondContact O-N 3.3Å; L275-V279 PolarHBondContact O-N 3.09Å; L275-S295 WeakPolarHBondContact CD1-O 3.15Å; L275-W298 HydrophobicContact CB-CD2 4.11Å; L275-W298 HydrophobicContact CB-CE3 3.98Å; L275-W298 HydrophobicContact CB-CH2 3.85Å; L275-W298 HydrophobicContact CB-CZ2 3.94Å; L275-W298 HydrophobicContact CB-CZ3 3.87Å; L275-W298 HydrophobicContact CD1-CD2 4.24Å; L275-W298 HydrophobicContact CD1-CG 4.44Å; L275-W298 HydrophobicContact CD1-CZ2 4.25Å; L275-W298 HydrophobicContact CD2-CZ2 4.12Å; L275-W298 HydrophobicContact CG-CZ2 4.33Å
276L92.6Very high94.2Very high23 Ų2346.6 Ų46.612%0.1226%0.255CS..Hα-helixtrans-65.5-27.6-175.7-65.1-173.6000113.2L257 V279 Y280 F293 A297 V299L257-L276 HydrophobicContact CD1-CD2 4.08Å; L276-V279 PolarHBondContact O-N 3.24Å; L276-Y280 HydrophobicContact CB-CD2 4.44Å; L276-Y280 HydrophobicContact CD2-CE2 4.24Å; L276-Y280 VanDerWaalsContact O-CD2 3.28Å; L276-Y280 WeakPolarHBondContact O-CD2 3.4Å; L276-Y280 PolarHBondContact O-N 3.41Å; L276-F293 HydrophobicContact CB-CD2 4.12Å; L276-A297 HydrophobicContact CD1-CB 4.19Å; L276-A297 PolarHBondContact N-O 2.99Å; L276-V299 HydrophobicContact CD1-CG2 4.05Å; L276-V299 HydrophobicContact CD2-CB 4.42Å; L276-V299 HydrophobicContact CD2-CG2 3.84Å; L276-V299 HydrophobicContact CG-CG2 3.99Å
277G91.4Very high93.9Very high1 Ų150.6 Ų50.61%0.0129%0.291CS..Hα-helixtrans-54.7-53.3171.400000111.5L275 V279 Y280 Q281 S295L275-G277 PolarHBondContact O-N 3.46Å; G277-V279 PolarHBondContact O-N 3.39Å; G277-Y280 PolarHBondContact O-N 3.09Å; G277-Q281 VanDerWaalsContact O-CB 3.27Å; G277-Q281 WeakPolarHBondContact O-CB 3.42Å; G277-Q281 VanDerWaalsContact O-CD 3.29Å; G277-Q281 WeakPolarHBondContact O-CG 3.48Å; G277-Q281 PolarHBondContact O-N 3.38Å; G277-S295 VanDerWaalsContact CA-O 3.29Å; G277-S295 WeakPolarHBondContact CA-O 3.44Å; G277-S295 PolarHBondContact N-O 3.19Å
278D90.6Very high93.7Very high91 Ų9152 Ų5249%0.48730%0.297SS..Hα-helixtrans-62.3-30.4-176.9-59.8-9.7000112.7L275L275-D278 PolarHBondContact O-N 3.3Å
279V92.7Very high93.3Very high3 Ų350.6 Ų50.62%0.01829%0.292CS..Hα-helixtrans-72.2-44.7178.6-1790000111.6L253 A254 L257 V274 L275 L276 G277 T285L253-V279 HydrophobicContact CD2-CG2 3.79Å; L253-V279 HydrophobicContact CG-CG1 4.47Å; L253-V279 HydrophobicContact CG-CG2 4.19Å; A254-V279 HydrophobicContact CB-CG1 3.75Å; L257-V279 HydrophobicContact CD1-CG1 4.27Å; L257-V279 HydrophobicContact CD1-CG2 4.27Å; V274-V279 HydrophobicContact CG1-CG2 3.29Å; L275-V279 PolarHBondContact O-N 3.09Å; L276-V279 PolarHBondContact O-N 3.24Å; G277-V279 PolarHBondContact O-N 3.39Å; V279-T285 WeakPolarHBondContact O-CB 3.29Å; V279-T285 PolarHBondContact O-OG1 2.94Å
280Y92.4Very high92.9Very high10 Ų1049.8 Ų49.84%0.03928%0.275CS..Hα-helixtrans-105.73.2-168-60.5-62.3000114.9A254 L276 G277 Q288 R289 P290 F293A254-Y280 HydrophobicContact CB-CD1 4.4Å; A254-Y280 HydrophobicContact CB-CE1 3.75Å; L276-Y280 HydrophobicContact CB-CD2 4.44Å; L276-Y280 HydrophobicContact CD2-CE2 4.24Å; L276-Y280 VanDerWaalsContact O-CD2 3.28Å; L276-Y280 WeakPolarHBondContact O-CD2 3.4Å; L276-Y280 PolarHBondContact O-N 3.41Å; G277-Y280 PolarHBondContact O-N 3.09Å; Y280-Q288 HydrophobicContact CE1-CB 4.45Å; Y280-Q288 WeakPolarHBondContact CE1-O 3.23Å; Y280-R289 HydrophobicContact CD1-CB 4.11Å; Y280-R289 HydrophobicContact CD1-CG 4.35Å; Y280-R289 HydrophobicContact CG-CB 4.28Å; Y280-R289 HydrophobicContact CG-CG 4.02Å; Y280-P290 HydrophobicContact CE2-CG 4.33Å; Y280-F293 AromaticContact CD2-CD2 4Å; Y280-F293 HydrophobicContact CD2-CD2 4Å; Y280-F293 HydrophobicContact CD2-CE2 4.13Å
281Q87.6Confident92.3Very high133 Ų13357.1 Ų57.162%0.62131%0.31SS*.SBendtrans-78-23.5175.2-82.9167.816.900113.4G277G277-Q281 VanDerWaalsContact O-CB 3.27Å; G277-Q281 WeakPolarHBondContact O-CB 3.42Å; G277-Q281 VanDerWaalsContact O-CD 3.29Å; G277-Q281 WeakPolarHBondContact O-CG 3.48Å; G277-Q281 PolarHBondContact O-N 3.38Å
282S90.8Very high91.6Very high14 Ų1460.5 Ų60.510%0.09833%0.329CS..SBendtrans-69.5139.9179.3177.50000111.4Q247 C284 T285 V286Q247-S282 PolarHBondContact OE1-OG 3.37Å; S282-C284 PolarHBondContact O-N 3.21Å; S282-C284 WeakPolarHBondContact OG-CB 3.38Å; S282-C284 PolarHBondContact OG-N 2.92Å; S282-C284 VanDerWaalsContact OG-N 3.1Å; S282-T285 PolarHBondContact O-N 3.26Å; S282-T285 PolarHBondContact O-OG1 3.02Å; S282-V286 PolarHBondContact O-N 3.38Å; S282-V286 VanDerWaalsContact O-N 3.09Å
283P93.6Very high91.1Very high45 Ų4561 Ų6129%0.29233%0.326SS..THydrogen-bonded Turntrans-52.3-25.9166.8-28.537.2000113.6L127 T131 T285L127-P283 HydrophobicContact CD2-CB 4.2Å; L127-P283 HydrophobicContact CD2-CG 4.28Å; T131-P283 WeakPolarHBondContact OG1-CD 3.16Å; T131-P283 WeakPolarHBondContact OG1-CG 3.29Å; P283-T285 VanDerWaalsContact C-N 3.33Å
284C96.7Very high90.8Very high14 Ų1459.9 Ų59.910%0.09532%0.324CS..THydrogen-bonded Turntrans-77.6-17.4-177.8-57.80000113.8C242 Q247 R251 S282C242-C284 WeakPolarHBondContact CA-SG 3.26Å; C242-C284 HydrophobicContact CB-CB 3.52Å; C242-C284 WeakPolarHBondContact CB-SG 3.4Å; C242-C284 WeakPolarHBondContact SG-CA 3.4Å; C242-C284 WeakPolarHBondContact SG-CB 3.36Å; C242-C284 CovalentContact SG-SG 2.03Å; C242-C284 PolarHBondContact SG-SG 2.97Å; Q247-C284 HydrophobicContact CB-CB 4.4Å; Q247-C284 VanDerWaalsContact OE1-CB 3.24Å; Q247-C284 PolarHBondContact OE1-SG 3.17Å; R251-C284 HydrophobicContact CG-CB 4.36Å; R251-C284 WeakPolarHBondContact CG-O 3.45Å; S282-C284 PolarHBondContact O-N 3.21Å; S282-C284 WeakPolarHBondContact OG-CB 3.38Å; S282-C284 PolarHBondContact OG-N 2.92Å; S282-C284 VanDerWaalsContact OG-N 3.1Å
285T95.6Very high90.6Very high0 Ų062 Ų620%034%0.339CS..THydrogen-bonded Turntrans-122.5-6.2-175.953.50000113.1Q250 R251 A254 V279 S282 P283 A287 Q288 R289Q250-T285 HydrophobicContact CB-CG2 4.02Å; R251-T285 HydrophobicContact CB-CG2 4.48Å; R251-T285 HydrophobicContact CG-CG2 3.84Å; A254-T285 HydrophobicContact CB-CG2 4.2Å; V279-T285 WeakPolarHBondContact O-CB 3.29Å; V279-T285 PolarHBondContact O-OG1 2.94Å; S282-T285 PolarHBondContact O-N 3.26Å; S282-T285 PolarHBondContact O-OG1 3.02Å; P283-T285 VanDerWaalsContact C-N 3.33Å; T285-A287 PolarHBondContact O-N 3.26Å; T285-A287 VanDerWaalsContact O-N 3.17Å; T285-Q288 CarbonylContact O-C 3.53Å; T285-Q288 WeakPolarHBondContact O-CA 3.41Å; T285-Q288 WeakPolarHBondContact O-CB 3.47Å; T285-Q288 PolarHBondContact O-N 3.12Å; T285-R289 PolarHBondContact O-N 3.21Å
286V90.9Very high90.5Very high76 Ų7664.3 Ų64.346%0.46136%0.359SS..G310 helixtrans-56.7-33.8-179.672.80000113S282 Q288 R289S282-V286 PolarHBondContact O-N 3.38Å; S282-V286 VanDerWaalsContact O-N 3.09Å; V286-Q288 PolarHBondContact O-N 2.85Å; V286-R289 WeakPolarHBondContact O-CB 3.34Å; V286-R289 PolarHBondContact O-N 3.35Å
287A91.1Very high90.6Very high101 Ų10164.6 Ų64.684%0.83537%0.365SS*.G310 helixtrans-69.9-21.4176.100000113.1T285 R289T285-A287 PolarHBondContact O-N 3.26Å; T285-A287 VanDerWaalsContact O-N 3.17Å; A287-R289 VanDerWaalsContact C-N 3.33Å
288Q93.3Very high90.7Very high34 Ų3472.2 Ų72.216%0.15939%0.393CS..G310 helixtrans-9410175.2-59.7169.2-102.900111.5R251 A254 Q258 Y280 T285 V286 P290R251-Q288 PolarHBondContact O-NE2 2.82Å; A254-Q288 HydrophobicContact CB-CB 4.04Å; Q258-Q288 VanDerWaalsContact NE2-C 3.26Å; Q258-Q288 PolarHBondContact NE2-O 3.26Å; Y280-Q288 HydrophobicContact CE1-CB 4.45Å; Y280-Q288 WeakPolarHBondContact CE1-O 3.23Å; T285-Q288 CarbonylContact O-C 3.53Å; T285-Q288 WeakPolarHBondContact O-CA 3.41Å; T285-Q288 WeakPolarHBondContact O-CB 3.47Å; T285-Q288 PolarHBondContact O-N 3.12Å; V286-Q288 PolarHBondContact O-N 2.85Å; Q288-P290 WeakPolarHBondContact O-CD 3.39Å
289R90.6Very high90.8Very high128 Ų12870.2 Ų70.248%0.48338%0.384SS..  trans-75.5129.3-179.6-167.1175.676.8166.1-3.3110.6Y280 T285 V286 A287 F293Y280-R289 HydrophobicContact CD1-CB 4.11Å; Y280-R289 HydrophobicContact CD1-CG 4.35Å; Y280-R289 HydrophobicContact CG-CB 4.28Å; Y280-R289 HydrophobicContact CG-CG 4.02Å; T285-R289 PolarHBondContact O-N 3.21Å; V286-R289 WeakPolarHBondContact O-CB 3.34Å; V286-R289 PolarHBondContact O-N 3.35Å; A287-R289 VanDerWaalsContact C-N 3.33Å; R289-F293 HydrophobicContact CG-CD1 3.71Å; R289-F293 HydrophobicContact CG-CE1 3.56Å; R289-F293 HydrophobicContact CG-CG 4.4Å; R289-F293 HydrophobicContact CG-CZ 4.08Å
290P88.8Confident91Very high47 Ų4773.1 Ų73.131%0.30541%0.405SS..  trans-59.4151.3172.2-21.832.5000111.7Y280 Q288 T292 F293Y280-P290 HydrophobicContact CE2-CG 4.33Å; Q288-P290 WeakPolarHBondContact O-CD 3.39Å; P290-T292 VanDerWaalsContact C-N 3.26Å; P290-T292 PolarHBondContact O-N 3.48Å; P290-F293 HydrophobicContact CB-CB 4.39Å; P290-F293 HydrophobicContact CG-CB 4.47Å
291Q83.9Confident91.2Very high195 Ų19572.8 Ų72.891%0.91140%0.404SS*.SBendtrans-58.9-39.4179.1-71-65.7-20.800112.2
292T82.2Confident91.6Very high131 Ų13169 Ų6980%0.80439%0.392SS*.SBendtrans-121.5117.3173.649.90000108.6P290P290-T292 VanDerWaalsContact C-N 3.26Å; P290-T292 PolarHBondContact O-N 3.48Å
293F84.7Confident92Very high65 Ų6568.8 Ų68.829%0.28539%0.392SS..  trans-147.3148172.186.4-68.1000109.8L276 Y280 R289 P290L276-F293 HydrophobicContact CB-CD2 4.12Å; Y280-F293 AromaticContact CD2-CD2 4Å; Y280-F293 HydrophobicContact CD2-CD2 4Å; Y280-F293 HydrophobicContact CD2-CE2 4.13Å; R289-F293 HydrophobicContact CG-CD1 3.71Å; R289-F293 HydrophobicContact CG-CE1 3.56Å; R289-F293 HydrophobicContact CG-CG 4.4Å; R289-F293 HydrophobicContact CG-CZ 4.08Å; P290-F293 HydrophobicContact CB-CB 4.39Å; P290-F293 HydrophobicContact CG-CB 4.47Å
294N89.2Confident92.2Very high97 Ų9767.8 Ų67.852%0.51939%0.386SS..  trans-96.2114.2171.7176.9-2.2000108S296 A297N294-S296 PolarHBondContact O-N 3.12Å; N294-S296 PolarHBondContact OD1-N 2.92Å; N294-A297 HydrophobicContact CB-CB 3.89Å; N294-A297 WeakPolarHBondContact O-CB 3.32Å; N294-A297 PolarHBondContact O-N 3.37Å
295S89.7Confident92.3Very high57 Ų5767.6 Ų67.640%0.39938%0.384SS..THydrogen-bonded Turntrans-60.7-25.2179.855.10000113.2L275 G277L275-S295 WeakPolarHBondContact CD1-O 3.15Å; G277-S295 VanDerWaalsContact CA-O 3.29Å; G277-S295 WeakPolarHBondContact CA-O 3.44Å; G277-S295 PolarHBondContact N-O 3.19Å
296S93.2Very high92.4Very high86 Ų8670 Ų7060%0.60140%0.398SS*.THydrogen-bonded Turntrans-91.80.7179.7-52.70000113.1N294N294-S296 PolarHBondContact O-N 3.12Å; N294-S296 PolarHBondContact OD1-N 2.92Å
297A93.1Very high92.8Very high29 Ų2966.8 Ų66.824%0.2438%0.378CS..  trans-79.5140.6179.600000111.9L276 N294L276-A297 HydrophobicContact CD1-CB 4.19Å; L276-A297 PolarHBondContact N-O 2.99Å; N294-A297 HydrophobicContact CB-CB 3.89Å; N294-A297 WeakPolarHBondContact O-CB 3.32Å; N294-A297 PolarHBondContact O-N 3.37Å
298W94.6Very high93.1Very high160 Ų16067.6 Ų67.661%0.60636%0.364SS*.EExtended strand (participates in β ladder)trans-105131.4174.3-69.184.8000110.2H273 V274 L275H273-W298 HydrophobicContact CB-CE3 3.76Å; H273-W298 HydrophobicContact CB-CZ3 4.28Å; V274-W298 WeakPolarHBondContact O-CA 3.19Å; L275-W298 HydrophobicContact CB-CD2 4.11Å; L275-W298 HydrophobicContact CB-CE3 3.98Å; L275-W298 HydrophobicContact CB-CH2 3.85Å; L275-W298 HydrophobicContact CB-CZ2 3.94Å; L275-W298 HydrophobicContact CB-CZ3 3.87Å; L275-W298 HydrophobicContact CD1-CD2 4.24Å; L275-W298 HydrophobicContact CD1-CG 4.44Å; L275-W298 HydrophobicContact CD1-CZ2 4.25Å; L275-W298 HydrophobicContact CD2-CZ2 4.12Å; L275-W298 HydrophobicContact CG-CZ2 4.33Å
299V93Very high93.4Very high50 Ų5068.4 Ų68.430%0.30337%0.37SS..EExtended strand (participates in β ladder)trans-118.3132177.5-179.50000109.1L257 H273 V274 L276L257-V299 HydrophobicContact CD2-CG1 4.09Å; H273-V299 WeakPolarHBondContact CA-O 3.1Å; V274-V299 PolarHBondContact N-O 3.04Å; V274-V299 PolarHBondContact O-N 3.49Å; L276-V299 HydrophobicContact CD1-CG2 4.05Å; L276-V299 HydrophobicContact CD2-CB 4.42Å; L276-V299 HydrophobicContact CD2-CG2 3.84Å; L276-V299 HydrophobicContact CG-CG2 3.99Å
300S95.6Very high93.7Very high64 Ų6462.3 Ų62.345%0.44835%0.347SS..EExtended strand (participates in β ladder)trans-80.9126.4170.7-1750000109.1S271S271-S300 PolarHBondContact OG-OG 2.89Å
301L96.7Very high94.2Very high3 Ų364.4 Ų64.42%0.01635%0.348CS..EExtended strand (participates in β ladder)trans-129.7130.7178.5-167.471.8000109.4L253 L257 H263 W266 S271 T272 V274L253-L301 HydrophobicContact CD1-CD2 3.36Å; L257-L301 HydrophobicContact CD2-CD1 4.09Å; L257-L301 HydrophobicContact CD2-CD2 4.19Å; L257-L301 HydrophobicContact CG-CD2 4.32Å; H263-L301 HydrophobicContact CB-CD2 3.88Å; H263-L301 HydrophobicContact CB-CG 4.23Å; W266-L301 HydrophobicContact CE3-CD2 4.45Å; W266-L301 HydrophobicContact CH2-CD2 4.28Å; W266-L301 HydrophobicContact CZ3-CB 4.06Å; W266-L301 HydrophobicContact CZ3-CD2 3.83Å; W266-L301 HydrophobicContact CZ3-CG 4.09Å; S271-L301 WeakPolarHBondContact CA-O 3.45Å; S271-L301 PolarHBondContact OG-O 2.98Å; T272-L301 PolarHBondContact N-O 2.84Å; T272-L301 VanDerWaalsContact N-O 3.13Å; T272-L301 PolarHBondContact O-N 3.01Å; V274-L301 HydrophobicContact CG2-CB 4.48Å
302S97.6Very high94.9Very high53 Ų5359.4 Ų59.437%0.37133%0.328SS..EExtended strand (participates in β ladder)trans-114.6152-177.7-60.30000111.8F262 H263 F270 S271F262-S302 CarbonylContact C-O 3.24Å; F262-S302 WeakPolarHBondContact CA-O 3.4Å; F262-S302 VanDerWaalsContact CB-O 3.31Å; F262-S302 WeakPolarHBondContact CB-O 3.25Å; H263-S302 PolarHBondContact N-O 2.8Å; F270-S302 CarbonylContact O-C 3.56Å; F270-S302 WeakPolarHBondContact O-CA 3.42Å; S271-S302 WeakPolarHBondContact CB-OG 2.98Å; S271-S302 PolarHBondContact OG-OG 2.88Å; S271-S302 VanDerWaalsContact OG-OG 3.08Å
303G98.2Very high95.6Very high9 Ų953.8 Ų53.89%0.09329%0.293CS..EExtended strand (participates in β ladder)trans-80.2153.4173.300000113.4H263 W266 R268 F270H263-G303 WeakPolarHBondContact O-CA 3.48Å; W266-G303 CarbonylContact O-C 3.54Å; W266-G303 VanDerWaalsContact O-CA 3.24Å; W266-G303 WeakPolarHBondContact O-CA 3.35Å; R268-G303 WeakPolarHBondContact CA-O 3.19Å; F270-G303 PolarHBondContact O-N 2.89Å
304S98.3Very high96.3Very high24 Ų2450.7 Ų50.717%0.16828%0.279CS..  trans-118.3-13.2178.767.80000115.2F262 H263 P264 W266 R268F262-S304 WeakPolarHBondContact CD2-OG 3.41Å; H263-S304 PolarHBondContact O-N 2.89Å; P264-S304 WeakPolarHBondContact CA-OG 3.42Å; W266-S304 PolarHBondContact O-N 2.97Å; W266-S304 VanDerWaalsContact O-N 3.09Å; R268-S304 PolarHBondContact NE-O 3.07Å; R268-S304 PolarHBondContact NH2-O 2.85Å
305S98.5Very high96.7Very high10 Ų1047.6 Ų47.67%0.0727%0.266CS..  trans5551-169.4-58.10000113W266 P267 R268 P307 C377 Q379W266-S305 PolarHBondContact O-N 3.24Å; P267-S305 WeakPolarHBondContact CA-OG 3.48Å; R268-S305 WeakPolarHBondContact CB-OG 3.43Å; R268-S305 PolarHBondContact N-OG 3.2Å; S305-P307 WeakPolarHBondContact O-CD 3.35Å; S305-C377 CarbonylContact C-O 3.56Å; S305-C377 WeakPolarHBondContact CA-O 3.19Å; S305-C377 VanDerWaalsContact CB-O 3.32Å; S305-C377 WeakPolarHBondContact CB-O 3.36Å; S305-Q379 PolarHBondContact OG-O 3.49Å
306D98.3Very high97.1Very high52 Ų5248.2 Ų48.228%0.27828%0.28SS..  trans-107.999.5178.7-167.6-38.3000110.7P264 H308 L309 C310P264-D306 HydrophobicContact CB-CB 4.21Å; P264-D306 PolarHBondContact O-N 2.02Å; P264-D306 VanDerWaalsContact O-N 3.07Å; D306-H308 VanDerWaalsContact C-N 3.3Å; D306-H308 PolarHBondContact O-N 3.41Å; D306-H308 PolarHBondContact OD1-N 2.83Å; D306-L309 HydrophobicContact CB-CB 4.09Å; D306-L309 HydrophobicContact CB-CD1 4.28Å; D306-L309 HydrophobicContact CB-CG 4.39Å; D306-L309 PolarHBondContact OD1-N 3Å; D306-L309 WeakPolarHBondContact OD2-CD1 3.15Å; D306-L309 WeakPolarHBondContact OD2-CG 3.35Å; D306-C310 WeakPolarHBondContact O-CB 3.35Å; D306-C310 PolarHBondContact O-N 2.92Å
307P98.2Very high97.3Very high8 Ų844.6 Ų44.65%0.05226%0.255CS..Hα-helixtrans-67.1-29.6-177.728.5-37.3000112.9S305 R311 V374 C377 N378S305-P307 WeakPolarHBondContact O-CD 3.35Å; P307-R311 VanDerWaalsContact O-CB 3.28Å; P307-R311 WeakPolarHBondContact O-CB 3.2Å; P307-R311 PolarHBondContact O-N 3.48Å; P307-V374 HydrophobicContact CB-CB 4.41Å; P307-V374 HydrophobicContact CB-CG1 3.97Å; P307-V374 HydrophobicContact CB-CG2 4.44Å; P307-V374 HydrophobicContact CG-CG1 4.21Å; P307-C377 HydrophobicContact CB-CB 3.84Å; P307-N378 WeakPolarHBondContact CD-OD1 3.42Å; P307-N378 VanDerWaalsContact CG-OD1 3.29Å; P307-N378 WeakPolarHBondContact CG-OD1 3.46Å
308H98.1Very high97.5Very high117 Ų11743.9 Ų43.954%0.54225%0.246SC..Hα-helixtrans-73.7-50.5-178.6-68.4-70.3000110.3D306 C310 R311 D312D306-H308 VanDerWaalsContact C-N 3.3Å; D306-H308 PolarHBondContact O-N 3.41Å; D306-H308 PolarHBondContact OD1-N 2.83Å; H308-C310 VanDerWaalsContact C-N 3.28Å; H308-C310 PolarHBondContact O-N 3.44Å; H308-R311 WeakPolarHBondContact O-CB 3.28Å; H308-R311 PolarHBondContact O-N 3.35Å; H308-D312 VanDerWaalsContact O-CG 3.27Å; H308-D312 PolarHBondContact O-N 3.4Å
309L98.3Very high97.6Very high52 Ų5238.5 Ų38.527%0.27223%0.233SC..Hα-helixtrans-62.9-36.3174.4-69.2-179.5000111.7F262 P264 D306 D312 L313F262-L309 HydrophobicContact CE2-CD1 4.08Å; F262-L309 HydrophobicContact CZ-CD1 4.19Å; P264-L309 HydrophobicContact CB-CB 3.51Å; P264-L309 HydrophobicContact CG-CB 4.08Å; D306-L309 HydrophobicContact CB-CB 4.09Å; D306-L309 HydrophobicContact CB-CD1 4.28Å; D306-L309 HydrophobicContact CB-CG 4.39Å; D306-L309 PolarHBondContact OD1-N 3Å; D306-L309 WeakPolarHBondContact OD2-CD1 3.15Å; D306-L309 WeakPolarHBondContact OD2-CG 3.35Å; L309-D312 PolarHBondContact O-N 3.21Å; L309-L313 VanDerWaalsContact O-CB 3.32Å; L309-L313 WeakPolarHBondContact O-CB 3.36Å; L309-L313 PolarHBondContact O-N 2.88Å
310C98.7Very high97.7Very high0 Ų040.5 Ų40.50%024%0.238CC..Hα-helixtrans-62.9-44.8174.7179.80000111.9P264 C265 D306 H308 D312 L313 V314P264-C310 HydrophobicContact CB-CB 4.47Å; C265-C310 VanDerWaalsContact CA-SG 3.52Å; C265-C310 HydrophobicContact CB-CB 3.87Å; C265-C310 WeakPolarHBondContact CB-SG 3.28Å; C265-C310 WeakPolarHBondContact SG-CA 3.22Å; C265-C310 WeakPolarHBondContact SG-CB 3.28Å; C265-C310 CovalentContact SG-SG 2.03Å; C265-C310 PolarHBondContact SG-SG 3.48Å; D306-C310 WeakPolarHBondContact O-CB 3.35Å; D306-C310 PolarHBondContact O-N 2.92Å; H308-C310 VanDerWaalsContact C-N 3.28Å; H308-C310 PolarHBondContact O-N 3.44Å; C310-D312 VanDerWaalsContact C-N 3.3Å; C310-D312 PolarHBondContact O-N 3.49Å; C310-L313 PolarHBondContact O-N 3.08Å; C310-V314 WeakPolarHBondContact O-CG2 3.42Å; C310-V314 PolarHBondContact O-N 2.92Å
311R98.5Very high97.7Very high90 Ų9042.5 Ų42.534%0.3425%0.252SS..Hα-helixtrans-59.8-42.7176.2-174.6-176.765.4176.4-0.8111.4P307 H308 V314 S315 M403 Q407P307-R311 VanDerWaalsContact O-CB 3.28Å; P307-R311 WeakPolarHBondContact O-CB 3.2Å; P307-R311 PolarHBondContact O-N 3.48Å; H308-R311 WeakPolarHBondContact O-CB 3.28Å; H308-R311 PolarHBondContact O-N 3.35Å; R311-V314 PolarHBondContact O-N 2.67Å; R311-S315 WeakPolarHBondContact O-CB 3.26Å; R311-S315 PolarHBondContact O-N 2.9Å; R311-M403 HydrophobicContact CB-CE 4.1Å; R311-M403 HydrophobicContact CB-CG 4.4Å; R311-M403 HydrophobicContact CB-SD 3.75Å; R311-M403 HydrophobicContact CG-SD 3.93Å; R311-Q407 VanDerWaalsContact CG-NE2 3.33Å; R311-Q407 PolarHBondContact O-NE2 3.1Å
312D98.2Very high97.6Very high91 Ų9146 Ų4649%0.48728%0.277SS..Hα-helixtrans-68.3-40179.8-64.4-12.5000111.2H308 L309 C310 V314 S315 G316H308-D312 VanDerWaalsContact O-CG 3.27Å; H308-D312 PolarHBondContact O-N 3.4Å; L309-D312 PolarHBondContact O-N 3.21Å; C310-D312 VanDerWaalsContact C-N 3.3Å; C310-D312 PolarHBondContact O-N 3.49Å; D312-V314 PolarHBondContact O-N 2.88Å; D312-S315 WeakPolarHBondContact O-CB 3.21Å; D312-S315 PolarHBondContact O-N 3.39Å; D312-G316 PolarHBondContact O-N 3Å; D312-G316 VanDerWaalsContact O-N 3.07Å
313L97.9Very high97.5Very high12 Ų1246.2 Ų46.26%0.06328%0.277CS..Hα-helixtrans-60.4-45.2174.2-163.171.8000111.7L252 S255 A256 P264 L309 C310 G316L252-L313 HydrophobicContact CB-CD2 4.28Å; L252-L313 HydrophobicContact CD2-CB 4.36Å; L252-L313 HydrophobicContact CD2-CD2 4.04Å; L252-L313 HydrophobicContact CD2-CG 3.82Å; S255-L313 VanDerWaalsContact OG-CD1 3.25Å; S255-L313 WeakPolarHBondContact OG-CD1 3.4Å; A256-L313 HydrophobicContact CB-CD2 4.12Å; P264-L313 HydrophobicContact CG-CD2 3.89Å; L309-L313 VanDerWaalsContact O-CB 3.32Å; L309-L313 WeakPolarHBondContact O-CB 3.36Å; L309-L313 PolarHBondContact O-N 2.88Å; C310-L313 PolarHBondContact O-N 3.08Å; L313-G316 PolarHBondContact O-N 3.5Å
314V98.6Very high97.4Very high0 Ų050.6 Ų50.60%030%0.304CS..Hα-helixtrans-66.9-38175.5171.40000111.7L252 C310 R311 D312 G316 L317 F318 M403 F404 Q407L252-V314 HydrophobicContact CD1-CG2 3.95Å; L252-V314 HydrophobicContact CD2-CG2 3.91Å; C310-V314 WeakPolarHBondContact O-CG2 3.42Å; C310-V314 PolarHBondContact O-N 2.92Å; R311-V314 PolarHBondContact O-N 2.67Å; D312-V314 PolarHBondContact O-N 2.88Å; V314-G316 PolarHBondContact O-N 3.4Å; V314-L317 HydrophobicContact CG1-CD1 4.38Å; V314-L317 VanDerWaalsContact O-CB 3.27Å; V314-L317 WeakPolarHBondContact O-CB 3.16Å; V314-L317 WeakPolarHBondContact O-CG 3.38Å; V314-L317 PolarHBondContact O-N 3.25Å; V314-F318 HydrophobicContact CG1-CE2 4.26Å; V314-F318 WeakPolarHBondContact O-CD2 2.99Å; V314-M403 HydrophobicContact CB-CG 4.05Å; V314-M403 HydrophobicContact CG1-CG 4.29Å; V314-M403 HydrophobicContact CG2-CB 4.1Å; V314-M403 HydrophobicContact CG2-CG 3.86Å; V314-F404 HydrophobicContact CG1-CB 4.26Å; V314-F404 HydrophobicContact CG1-CD2 4.44Å; V314-Q407 HydrophobicContact CG1-CB 4.18Å; V314-Q407 HydrophobicContact CG1-CG 4.27Å
315S98Very high97.3Very high33 Ų3352.4 Ų52.423%0.23131%0.309CS..Hα-helixtrans-58.5-35.9175.2175.50000111.6R311 D312 L317 F318 R411R311-S315 WeakPolarHBondContact O-CB 3.26Å; R311-S315 PolarHBondContact O-N 2.9Å; D312-S315 WeakPolarHBondContact O-CB 3.21Å; D312-S315 PolarHBondContact O-N 3.39Å; S315-L317 PolarHBondContact O-N 3.32Å; S315-L317 VanDerWaalsContact O-N 3.12Å; S315-F318 PolarHBondContact O-N 3.43Å; S315-R411 VanDerWaalsContact CB-NH1 3.25Å; S315-R411 PolarHBondContact OG-NH1 3.44Å; S315-R411 PolarHBondContact OG-NH2 3.48Å
316G97Very high97.1Very high69 Ų6956.2 Ų56.271%0.71134%0.335SS*.THydrogen-bonded Turntrans-62.3-13.417700000114.6D312 L313 V314 F318D312-G316 PolarHBondContact O-N 3Å; D312-G316 VanDerWaalsContact O-N 3.07Å; L313-G316 PolarHBondContact O-N 3.5Å; V314-G316 PolarHBondContact O-N 3.4Å; G316-F318 VanDerWaalsContact C-N 3.32Å
317L97.7Very high96.8Very high11 Ų1158.5 Ų58.56%0.05834%0.34CS..THydrogen-bonded Turntrans-73.3-23.5176-60.8172.7000112.9Y243 V248 R251 L252 V314 S315 F404Y243-L317 HydrophobicContact CE1-CB 4.36Å; Y243-L317 PolarHBondContact OH-O 3.19Å; V248-L317 HydrophobicContact CG1-CD1 3.76Å; R251-L317 HydrophobicContact CB-CD2 3.94Å; R251-L317 PolarHBondContact NH2-O 3.39Å; L252-L317 HydrophobicContact CD2-CD1 3.95Å; L252-L317 HydrophobicContact CD2-CD2 4.24Å; L252-L317 HydrophobicContact CD2-CG 4.14Å; L252-L317 HydrophobicContact CG-CD1 4.27Å; V314-L317 HydrophobicContact CG1-CD1 4.38Å; V314-L317 VanDerWaalsContact O-CB 3.27Å; V314-L317 WeakPolarHBondContact O-CB 3.16Å; V314-L317 WeakPolarHBondContact O-CG 3.38Å; V314-L317 PolarHBondContact O-N 3.25Å; S315-L317 PolarHBondContact O-N 3.32Å; S315-L317 VanDerWaalsContact O-N 3.12Å; L317-F404 HydrophobicContact CD1-CD2 3.89Å; L317-F404 HydrophobicContact CD1-CE2 4.25Å
318F97.6Very high96.7Very high14 Ų1459.3 Ų59.36%0.06135%0.346CS..  trans-110125.7-170.4-54.7-85.6000111.4Y243 V314 S315 G316 F320 F330 F404 Q407 L408Y243-F318 HydrophobicContact CD1-CE1 4.38Å; Y243-F318 HydrophobicContact CE1-CD1 4.3Å; Y243-F318 HydrophobicContact CE1-CE1 4.29Å; V314-F318 HydrophobicContact CG1-CE2 4.26Å; V314-F318 WeakPolarHBondContact O-CD2 2.99Å; S315-F318 PolarHBondContact O-N 3.43Å; G316-F318 VanDerWaalsContact C-N 3.32Å; F318-F320 HydrophobicContact CB-CD2 4.32Å; F318-F320 HydrophobicContact CB-CE2 3.47Å; F318-F320 VanDerWaalsContact CB-CE2 3.47Å; F318-F320 HydrophobicContact CB-CZ 3.66Å; F318-F320 HydrophobicContact CG-CE2 4.43Å; F318-F320 HydrophobicContact CG-CZ 4.31Å; F318-F330 HydrophobicContact CB-CB 4.4Å; F318-F330 HydrophobicContact CD1-CB 4.32Å; F318-F330 AromaticContact CD1-CD1 3.95Å; F318-F330 HydrophobicContact CD1-CD1 3.95Å; F318-F330 AromaticContact CD1-CD2 3.79Å; F318-F330 HydrophobicContact CD1-CD2 3.79Å; F318-F330 HydrophobicContact CD1-CE1 4.15Å; F318-F330 HydrophobicContact CD1-CE2 4.03Å; F318-F330 AromaticContact CD1-CG 3.76Å; F318-F330 HydrophobicContact CD1-CG 3.76Å; F318-F330 HydrophobicContact CD1-CZ 4.19Å; F318-F330 HydrophobicContact CE1-CD1 4.35Å; F318-F330 HydrophobicContact CE1-CE1 4.15Å; F318-F330 HydrophobicContact CE1-CE2 4.38Å; F318-F330 HydrophobicContact CE1-CZ 4.16Å; F318-F404 HydrophobicContact CE1-CE2 4.21Å; F318-F404 HydrophobicContact CE2-CD2 4.38Å; F318-F404 HydrophobicContact CE2-CE2 4.42Å; F318-F404 AromaticContact CZ-CD2 3.89Å; F318-F404 HydrophobicContact CZ-CD2 3.89Å; F318-F404 AromaticContact CZ-CE2 3.6Å; F318-F404 HydrophobicContact CZ-CE2 3.6Å; F318-Q407 HydrophobicContact CE2-CB 3.89Å; F318-Q407 HydrophobicContact CZ-CB 4.4Å; F318-L408 HydrophobicContact CE1-CB 4.45Å; F318-L408 HydrophobicContact CE1-CD1 3.88Å; F318-L408 HydrophobicContact CZ-CB 4.16Å; F318-L408 HydrophobicContact CZ-CD1 4.39Å
319S96.7Very high96.7Very high47 Ų4754.1 Ų54.133%0.32932%0.323SS..  trans-98.6128170.8-175.70000111.4S321 N331S319-S321 PolarHBondContact OG-OG 3.27Å; S319-N331 VanDerWaalsContact CB-OD1 3.26Å; S319-N331 WeakPolarHBondContact CB-OD1 3.39Å; S319-N331 PolarHBondContact N-OD1 2.67Å; S319-N331 PolarHBondContact O-N 3.47Å
320F96.2Very high96.7Very high92 Ų9251.8 Ų51.840%0.40431%0.31SS..  trans-118.912.6175.1-56.9-78.4000112.4F318 S322 S329 F330 R411F318-F320 HydrophobicContact CB-CD2 4.32Å; F318-F320 HydrophobicContact CB-CE2 3.47Å; F318-F320 VanDerWaalsContact CB-CE2 3.47Å; F318-F320 HydrophobicContact CB-CZ 3.66Å; F318-F320 HydrophobicContact CG-CE2 4.43Å; F318-F320 HydrophobicContact CG-CZ 4.31Å; F320-S322 VanDerWaalsContact C-N 3.35Å; F320-S322 PolarHBondContact O-N 2.9Å; F320-S329 WeakPolarHBondContact CE1-O 3.47Å; F320-F330 HydrophobicContact CD1-CB 4.17Å; F320-F330 HydrophobicContact CE1-CB 3.71Å; F320-F330 HydrophobicContact CZ-CB 4.18Å; F320-R411 VanDerWaalsContact CE1-O 3.28Å; F320-R411 WeakPolarHBondContact CE1-O 3.04Å; F320-R411 HydrophobicContact CZ-CB 3.93Å; F320-R411 WeakPolarHBondContact CZ-O 3.11Å
321S94.2Very high96.6Very high106 Ų10654.9 Ų54.974%0.74133%0.327SS*.SBendtrans-72.8-24.2-170.856.60000114.3S319S319-S321 PolarHBondContact OG-OG 3.27Å
322S95.1Very high96.5Very high77 Ų7751.3 Ų51.354%0.53832%0.318SS..  trans-141.4144.7179.463.30000111.7F320 G332F320-S322 VanDerWaalsContact C-N 3.35Å; F320-S322 PolarHBondContact O-N 2.9Å; S322-G332 WeakPolarHBondContact O-CA 3.44Å
323C96.1Very high96.4Very high57 Ų5748.1 Ų48.139%0.38530%0.302SS..  trans-141.9111169.9-178.20000109.1F325 C328C323-F325 PolarHBondContact O-N 2.81Å; C323-F325 PolarHBondContact SG-O 3.05Å; C323-C328 WeakPolarHBondContact CA-SG 3.3Å; C323-C328 HydrophobicContact CB-CB 3.8Å; C323-C328 WeakPolarHBondContact CB-SG 3.5Å; C323-C328 WeakPolarHBondContact SG-CB 3.23Å; C323-C328 PolarHBondContact SG-N 2.85Å; C323-C328 CovalentContact SG-SG 2.04Å; C323-C328 PolarHBondContact SG-SG 3.2Å
324P95.6Very high96.3Very high101 Ų10147.8 Ų47.866%0.65630%0.299SS*.SBendtrans-80.21.2179.632.3-33.2000113.3G332P324-G332 WeakPolarHBondContact CD-O 3.43Å
325F95.3Very high96.2Very high62 Ų6248 Ų4827%0.27230%0.301SS..SBendtrans-116.8175.3-178.1-55.7-73.9000110.8E218 D219 C323 R327 G332 F334E218-F325 HydrophobicContact CB-CD1 3.83Å; E218-F325 HydrophobicContact CB-CE1 4.48Å; D219-F325 HydrophobicContact CB-CE1 3.97Å; D219-F325 HydrophobicContact CB-CZ 3.92Å; C323-F325 PolarHBondContact O-N 2.81Å; C323-F325 PolarHBondContact SG-O 3.05Å; F325-R327 PolarHBondContact O-N 3.11Å; F325-G332 WeakPolarHBondContact CE2-O 3.33Å; F325-F334 HydrophobicContact CB-CB 4.27Å; F325-F334 HydrophobicContact CB-CD2 3.85Å; F325-F334 HydrophobicContact CD1-CB 4.12Å; F325-F334 HydrophobicContact CD1-CD2 4.43Å; F325-F334 HydrophobicContact CD2-CB 3.5Å; F325-F334 HydrophobicContact CE1-CB 4.32Å; F325-F334 HydrophobicContact CE2-CB 3.73Å; F325-F334 HydrophobicContact CG-CB 3.7Å; F325-F334 HydrophobicContact CG-CD2 4.08Å; F325-F334 HydrophobicContact CG-CG 4.28Å; F325-F334 HydrophobicContact CZ-CB 4.14Å
326S94Very high96.1Very high89 Ų8946.5 Ų46.562%0.62229%0.29SS*.SBendtrans-60.8-32.417673.90000112.9E218E218-S326 WeakPolarHBondContact OE1-CB 3.24Å; E218-S326 PolarHBondContact OE1-OG 3.47Å; E218-S326 WeakPolarHBondContact OE2-CB 3.5Å; E218-S326 PolarHBondContact OE2-N 2.88Å; E218-S326 PolarHBondContact OE2-OG 3.14Å
327R92.9Very high95.9Very high101 Ų10146 Ų4638%0.38127%0.274SS..  trans-153.6145.6172.1175.9178.451.5-125.3-42.9110F325 Q335 P337F325-R327 PolarHBondContact O-N 3.11Å; R327-Q335 PolarHBondContact NE-O 3.01Å; R327-Q335 PolarHBondContact O-N 2.88Å; R327-P337 VanDerWaalsContact CZ-CD 3.47Å; R327-P337 VanDerWaalsContact CZ-CG 3.49Å; R327-P337 VanDerWaalsContact NH1-CB 3.26Å; R327-P337 VanDerWaalsContact NH1-CG 3.26Å; R327-P337 VanDerWaalsContact NH2-CG 3.26Å; R327-P337 VanDerWaalsContact NH2-N 3.1Å
328C96.4Very high95.7Very high25 Ų2546.7 Ų46.717%0.16928%0.279CS..BIsolated β-bridgetrans-121.6160172-61.60000110.4C323 G332 V333C323-C328 WeakPolarHBondContact CA-SG 3.3Å; C323-C328 HydrophobicContact CB-CB 3.8Å; C323-C328 WeakPolarHBondContact CB-SG 3.5Å; C323-C328 WeakPolarHBondContact SG-CB 3.23Å; C323-C328 PolarHBondContact SG-N 2.85Å; C323-C328 CovalentContact SG-SG 2.04Å; C323-C328 PolarHBondContact SG-SG 3.2Å; C328-G332 VanDerWaalsContact SG-C 3.58Å; C328-V333 CarbonylContact C-O 3Å; C328-V333 WeakPolarHBondContact CA-O 3.24Å; C328-V333 WeakPolarHBondContact CB-O 3.47Å
329S97.1Very high95.2Very high8 Ų848.7 Ų48.76%0.05630%0.298CS..SBendtrans-75.2-86.1159.744.60000108.9F240 F320 V333 G412F240-S329 WeakPolarHBondContact CZ-OG 3.24Å; F320-S329 WeakPolarHBondContact CE1-O 3.47Å; S329-V333 PolarHBondContact N-O 3.29Å; S329-V333 PolarHBondContact OG-O 3.19Å; S329-G412 CarbonylContact C-O 3.45Å; S329-G412 WeakPolarHBondContact CA-O 3.37Å; S329-G412 WeakPolarHBondContact CB-O 3.49Å
330F98.2Very high94.9Very high2 Ų249.1 Ų49.11%0.00931%0.31CS..SBendtrans-145.8166.9174.160.5-85.3000110.4F240 Y243 F318 F320 G332 V333 L408 Y413F240-F330 HydrophobicContact CB-CZ 4.19Å; F240-F330 HydrophobicContact CD1-CD2 4.34Å; F240-F330 AromaticContact CD1-CE1 3.95Å; F240-F330 HydrophobicContact CD1-CE1 3.95Å; F240-F330 AromaticContact CD1-CE2 3.43Å; F240-F330 HydrophobicContact CD1-CE2 3.43Å; F240-F330 VanDerWaalsContact CD1-CE2 3.43Å; F240-F330 AromaticContact CD1-CZ 3.21Å; F240-F330 HydrophobicContact CD1-CZ 3.21Å; F240-F330 HydrophobicContact CD2-CE1 4.27Å; F240-F330 AromaticContact CD2-CZ 3.98Å; F240-F330 HydrophobicContact CD2-CZ 3.98Å; F240-F330 HydrophobicContact CE1-CD1 4.16Å; F240-F330 HydrophobicContact CE1-CD2 4.19Å; F240-F330 AromaticContact CE1-CE1 3.68Å; F240-F330 HydrophobicContact CE1-CE1 3.68Å; F240-F330 AromaticContact CE1-CE2 3.67Å; F240-F330 HydrophobicContact CE1-CE2 3.67Å; F240-F330 HydrophobicContact CE1-CG 4.41Å; F240-F330 AromaticContact CE1-CZ 3.41Å; F240-F330 HydrophobicContact CE1-CZ 3.41Å; F240-F330 VanDerWaalsContact CE1-CZ 3.41Å; F240-F330 HydrophobicContact CE2-CE1 4.05Å; F240-F330 HydrophobicContact CE2-CZ 4.16Å; F240-F330 HydrophobicContact CG-CE1 4.23Å; F240-F330 HydrophobicContact CG-CE2 4.13Å; F240-F330 AromaticContact CG-CZ 3.51Å; F240-F330 HydrophobicContact CG-CZ 3.51Å; F240-F330 HydrophobicContact CZ-CD1 4.28Å; F240-F330 AromaticContact CZ-CE1 3.74Å; F240-F330 HydrophobicContact CZ-CE1 3.74Å; F240-F330 AromaticContact CZ-CZ 3.9Å; F240-F330 HydrophobicContact CZ-CZ 3.9Å; Y243-F330 AromaticContact CD1-CE2 3.77Å; Y243-F330 HydrophobicContact CD1-CE2 3.77Å; Y243-F330 AromaticContact CD1-CZ 3.91Å; Y243-F330 HydrophobicContact CD1-CZ 3.91Å; Y243-F330 HydrophobicContact CD2-CE2 4.26Å; Y243-F330 HydrophobicContact CE1-CD2 4.19Å; Y243-F330 AromaticContact CE1-CE2 3.39Å; Y243-F330 HydrophobicContact CE1-CE2 3.39Å; Y243-F330 HydrophobicContact CE1-CZ 4.01Å; Y243-F330 AromaticContact CE2-CE2 3.96Å; Y243-F330 HydrophobicContact CE2-CE2 3.96Å; Y243-F330 HydrophobicContact CG-CE2 4.2Å; Y243-F330 HydrophobicContact CG-CZ 4.26Å; Y243-F330 AromaticContact CZ-CE2 3.52Å; F318-F330 HydrophobicContact CB-CB 4.4Å; F318-F330 HydrophobicContact CD1-CB 4.32Å; F318-F330 AromaticContact CD1-CD1 3.95Å; F318-F330 HydrophobicContact CD1-CD1 3.95Å; F318-F330 AromaticContact CD1-CD2 3.79Å; F318-F330 HydrophobicContact CD1-CD2 3.79Å; F318-F330 HydrophobicContact CD1-CE1 4.15Å; F318-F330 HydrophobicContact CD1-CE2 4.03Å; F318-F330 AromaticContact CD1-CG 3.76Å; F318-F330 HydrophobicContact CD1-CG 3.76Å; F318-F330 HydrophobicContact CD1-CZ 4.19Å; F318-F330 HydrophobicContact CE1-CD1 4.35Å; F318-F330 HydrophobicContact CE1-CE1 4.15Å; F318-F330 HydrophobicContact CE1-CE2 4.38Å; F318-F330 HydrophobicContact CE1-CZ 4.16Å; F320-F330 HydrophobicContact CD1-CB 4.17Å; F320-F330 HydrophobicContact CE1-CB 3.71Å; F320-F330 HydrophobicContact CZ-CB 4.18Å; F330-G332 PolarHBondContact O-N 3.29Å; F330-V333 WeakPolarHBondContact O-CB 3.33Å; F330-V333 PolarHBondContact O-N 2.99Å; F330-V333 VanDerWaalsContact O-N 3.14Å; F330-L408 HydrophobicContact CE1-CD1 3.82Å; F330-L408 HydrophobicContact CZ-CD1 4.15Å; F330-Y413 HydrophobicContact CE1-CE1 4.28Å
331N97Very high94.8Very high66 Ų6649.3 Ų49.335%0.35332%0.315SS..THydrogen-bonded Turntrans54.633.6-176.4-56.6-19.6000114.1Y243 S319 V333Y243-N331 PolarHBondContact OH-ND2 2.78Å; S319-N331 VanDerWaalsContact CB-OD1 3.26Å; S319-N331 WeakPolarHBondContact CB-OD1 3.39Å; S319-N331 PolarHBondContact N-OD1 2.67Å; S319-N331 PolarHBondContact O-N 3.47Å; N331-V333 PolarHBondContact O-N 3.14Å
332G96.7Very high94.9Very high14 Ų1444.3 Ų44.314%0.14428%0.28CS..THydrogen-bonded Turntrans68.215.8-179.400000114.7S322 P324 F325 C328 F330S322-G332 WeakPolarHBondContact O-CA 3.44Å; P324-G332 WeakPolarHBondContact CD-O 3.43Å; F325-G332 WeakPolarHBondContact CE2-O 3.33Å; C328-G332 VanDerWaalsContact SG-C 3.58Å; F330-G332 PolarHBondContact O-N 3.29Å
333V96.9Very high94.9Very high25 Ų2540.7 Ų40.715%0.15226%0.255CS..  trans-83.4123.9179.7173.50000110.7H238 F240 C328 S329 F330 N331 Q335H238-V333 WeakPolarHBondContact CE1-CG1 3.48Å; H238-V333 WeakPolarHBondContact ND1-CG1 3.46Å; H238-V333 WeakPolarHBondContact NE2-CG1 3.26Å; F240-V333 HydrophobicContact CE1-CB 3.98Å; F240-V333 HydrophobicContact CE1-CG1 4.08Å; F240-V333 HydrophobicContact CE1-CG2 3.84Å; F240-V333 HydrophobicContact CZ-CB 4.23Å; F240-V333 HydrophobicContact CZ-CG1 3.94Å; C328-V333 CarbonylContact C-O 3Å; C328-V333 WeakPolarHBondContact CA-O 3.24Å; C328-V333 WeakPolarHBondContact CB-O 3.47Å; S329-V333 PolarHBondContact N-O 3.29Å; S329-V333 PolarHBondContact OG-O 3.19Å; F330-V333 WeakPolarHBondContact O-CB 3.33Å; F330-V333 PolarHBondContact O-N 2.99Å; F330-V333 VanDerWaalsContact O-N 3.14Å; N331-V333 PolarHBondContact O-N 3.14Å; V333-Q335 PolarHBondContact O-N 3.17Å
334F96.1Very high94.9Very high4 Ų438 Ų382%0.01824%0.236CC..BIsolated β-bridgetrans-54132.5174172.7-115.6000111.4A217 E218 D219 Y236 F325 P336A217-F334 HydrophobicContact CB-CE1 4.16Å; E218-F334 HydrophobicContact CB-CD2 3.87Å; E218-F334 HydrophobicContact CB-CE2 3.72Å; E218-F334 HydrophobicContact CB-CG 4.34Å; E218-F334 HydrophobicContact CB-CZ 4.08Å; E218-F334 HydrophobicContact CG-CD2 4.38Å; E218-F334 HydrophobicContact CG-CE2 3.8Å; E218-F334 HydrophobicContact CG-CZ 4.18Å; D219-F334 HydrophobicContact CB-CB 3.91Å; D219-F334 HydrophobicContact CB-CD1 4.08Å; D219-F334 HydrophobicContact CB-CG 4.27Å; Y236-F334 HydrophobicContact CD2-CD1 4.42Å; Y236-F334 HydrophobicContact CD2-CE1 4.33Å; Y236-F334 HydrophobicContact CE2-CD1 4.06Å; Y236-F334 HydrophobicContact CE2-CE1 4.38Å; Y236-F334 VanDerWaalsContact CE2-O 3.32Å; Y236-F334 WeakPolarHBondContact CE2-O 3.28Å; Y236-F334 PolarHBondContact OH-O 3.1Å; F325-F334 HydrophobicContact CB-CB 4.27Å; F325-F334 HydrophobicContact CB-CD2 3.85Å; F325-F334 HydrophobicContact CD1-CB 4.12Å; F325-F334 HydrophobicContact CD1-CD2 4.43Å; F325-F334 HydrophobicContact CD2-CB 3.5Å; F325-F334 HydrophobicContact CE1-CB 4.32Å; F325-F334 HydrophobicContact CE2-CB 3.73Å; F325-F334 HydrophobicContact CG-CB 3.7Å; F325-F334 HydrophobicContact CG-CD2 4.08Å; F325-F334 HydrophobicContact CG-CG 4.28Å; F325-F334 HydrophobicContact CZ-CB 4.14Å; F334-P336 HydrophobicContact CZ-CB 4.47Å
335Q95.9Very high94.8Very high5 Ų533.3 Ų33.32%0.02321%0.205CC..  trans-144.6126.4168.6-162.4-173.6-88.600111Y236 R327 V333 Y413Y236-Q335 HydrophobicContact CE1-CG 3.79Å; Y236-Q335 WeakPolarHBondContact OH-CG 3.31Å; R327-Q335 PolarHBondContact NE-O 3.01Å; R327-Q335 PolarHBondContact O-N 2.88Å; V333-Q335 PolarHBondContact O-N 3.17Å; Q335-Y413 PolarHBondContact NE2-O 3.22Å
336P94.4Very high94.6Very high2 Ų232 Ų321%0.01320%0.204CC..PPolyproline II helixtrans-67.3169.4168.926.5-27.9000110.9F211 T213 Y236 F334 V338F211-P336 HydrophobicContact CE2-CG 4.01Å; F211-P336 HydrophobicContact CZ-CG 3.74Å; T213-P336 HydrophobicContact CG2-CG 4.33Å; Y236-P336 HydrophobicContact CD1-CG 4.29Å; Y236-P336 HydrophobicContact CD2-CG 3.83Å; Y236-P336 VanDerWaalsContact CE2-CD 3.46Å; Y236-P336 HydrophobicContact CE2-CG 4.43Å; Y236-P336 HydrophobicContact CG-CG 3.73Å; F334-P336 HydrophobicContact CZ-CB 4.47Å; P336-V338 PolarHBondContact O-N 3.17Å
337P93.4Very high94.6Very high58 Ų5828.4 Ų28.438%0.37718%0.179SC..PPolyproline II helixtrans-63.4136.8177.1-0.215000108.1F211 R327 A339F211-P337 WeakPolarHBondContact CE2-O 3.42Å; R327-P337 VanDerWaalsContact CZ-CD 3.47Å; R327-P337 VanDerWaalsContact CZ-CG 3.49Å; R327-P337 VanDerWaalsContact NH1-CB 3.26Å; R327-P337 VanDerWaalsContact NH1-CG 3.26Å; R327-P337 VanDerWaalsContact NH2-CG 3.26Å; R327-P337 VanDerWaalsContact NH2-N 3.1Å; P337-A339 PolarHBondContact O-N 2.87Å
338V93.6Very high94.9Very high26 Ų2623.6 Ų23.616%0.15816%0.161CC..PPolyproline II helixtrans-60.1133.4171.5-66.30000109I209 F211 P336 F342 F415 A419I209-V338 HydrophobicContact CD1-CG1 4.24Å; F211-V338 HydrophobicContact CE1-CG1 4.49Å; P336-V338 PolarHBondContact O-N 3.17Å; V338-F342 HydrophobicContact CB-CE2 4.19Å; V338-F342 HydrophobicContact CB-CZ 4.16Å; V338-F342 HydrophobicContact CG1-CZ 4.37Å; V338-F415 HydrophobicContact CB-CE1 4.26Å; V338-F415 HydrophobicContact CB-CE2 4.38Å; V338-F415 HydrophobicContact CB-CZ 4.1Å; V338-F415 HydrophobicContact CG1-CD2 4.3Å; V338-F415 HydrophobicContact CG1-CE2 3.82Å; V338-F415 HydrophobicContact CG1-CZ 3.97Å; V338-F415 HydrophobicContact CG2-CD1 4.12Å; V338-F415 HydrophobicContact CG2-CD2 4.48Å; V338-F415 HydrophobicContact CG2-CE1 4.18Å; V338-F415 HydrophobicContact CG2-CG 4.28Å; V338-F415 HydrophobicContact CG2-CZ 4.39Å; V338-A419 HydrophobicContact CG2-CB 3.96Å
339A88.1Confident94.8Very high56 Ų5623.8 Ų23.846%0.46316%0.16SC..  trans-143.8144.3-17500000110.7P337 F342P337-A339 PolarHBondContact O-N 2.87Å; A339-F342 WeakPolarHBondContact O-CE2 3.08Å
340G89.7Confident94.7Very high55 Ų5529.5 Ų29.557%0.56718%0.181SC*.SBendtrans79.6-172-17800000113.6
341N94.4Very high94.6Very high97 Ų9729.7 Ų29.752%0.51918%0.182SC..  trans-85.8152.6177.2-66.4-13000109.9L197 G198 G422L197-N341 CarbonylContact C-O 3.53Å; L197-N341 VanDerWaalsContact CA-O 3.25Å; L197-N341 WeakPolarHBondContact CA-O 3.32Å; L197-N341 HydrophobicContact CD2-CB 4.49Å; L197-N341 HydrophobicContact CG-CB 4.13Å; G198-N341 PolarHBondContact N-O 2.83Å; N341-G422 CarbonylContact C-O 3.59Å; N341-G422 VanDerWaalsContact CA-O 3.3Å; N341-G422 WeakPolarHBondContact CA-O 3.32Å; N341-G422 WeakPolarHBondContact CB-O 3.36Å
342F96Very high94.6Very high1 Ų126.6 Ų26.60%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-127.3144.6-179.3-76.7-103.9000111.5G198 M200 I209 F211 V338 A339 F415 G422 V423 I424G198-F342 CarbonylContact O-C 3.59Å; G198-F342 VanDerWaalsContact O-CA 3.29Å; G198-F342 WeakPolarHBondContact O-CA 3.38Å; M200-F342 HydrophobicContact CE-CB 4.07Å; M200-F342 HydrophobicContact CE-CD1 4.43Å; M200-F342 HydrophobicContact CE-CG 4.49Å; M200-F342 HydrophobicContact CG-CD1 4.01Å; M200-F342 HydrophobicContact SD-CD1 4.33Å; I209-F342 HydrophobicContact CD1-CE1 4.32Å; I209-F342 HydrophobicContact CG1-CE1 4.26Å; F211-F342 HydrophobicContact CB-CE1 3.84Å; F211-F342 HydrophobicContact CB-CZ 3.78Å; F211-F342 AromaticContact CD1-CE1 3.77Å; F211-F342 HydrophobicContact CD1-CE1 3.77Å; F211-F342 AromaticContact CD1-CZ 3.72Å; F211-F342 HydrophobicContact CD1-CZ 3.72Å; F211-F342 HydrophobicContact CD2-CZ 4.35Å; F211-F342 HydrophobicContact CE1-CZ 4.35Å; F211-F342 HydrophobicContact CG-CE1 4.02Å; F211-F342 AromaticContact CG-CZ 3.71Å; F211-F342 HydrophobicContact CG-CZ 3.71Å; V338-F342 HydrophobicContact CB-CE2 4.19Å; V338-F342 HydrophobicContact CB-CZ 4.16Å; V338-F342 HydrophobicContact CG1-CZ 4.37Å; A339-F342 WeakPolarHBondContact O-CE2 3.08Å; F342-F415 HydrophobicContact CD1-CZ 4.08Å; F342-F415 AromaticContact CD2-CE1 3.78Å; F342-F415 HydrophobicContact CD2-CE1 3.78Å; F342-F415 AromaticContact CD2-CZ 3.75Å; F342-F415 HydrophobicContact CD2-CZ 3.75Å; F342-F415 HydrophobicContact CE1-CZ 4.16Å; F342-F415 HydrophobicContact CE2-CE1 4.03Å; F342-F415 AromaticContact CE2-CZ 3.86Å; F342-F415 HydrophobicContact CE2-CZ 3.86Å; F342-F415 HydrophobicContact CG-CE1 4.24Å; F342-F415 AromaticContact CG-CZ 3.88Å; F342-F415 HydrophobicContact CG-CZ 3.88Å; F342-F415 HydrophobicContact CZ-CZ 4.06Å; F342-G422 PolarHBondContact N-O 3.12Å; F342-V423 HydrophobicContact CB-CG2 4.17Å; F342-V423 CarbonylContact O-C 3.47Å; F342-V423 WeakPolarHBondContact O-CA 3.27Å; F342-I424 WeakPolarHBondContact O-CG1 3.4Å; F342-I424 PolarHBondContact O-N 2.94Å
343I95.5Very high94.6Very high1 Ų128.9 Ų28.91%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-105.3124.3164.4-175.1170000109.8A173 L177 L197 G198 A199 M200 I424 Q426 V434A173-I343 HydrophobicContact CB-CG2 3.56Å; L177-I343 HydrophobicContact CD1-CD1 4.5Å; L197-I343 HydrophobicContact CD2-CB 4.14Å; L197-I343 HydrophobicContact CD2-CG2 4.46Å; G198-I343 WeakPolarHBondContact O-CG2 3.24Å; G198-I343 PolarHBondContact O-N 2.99Å; A199-I343 WeakPolarHBondContact CA-O 3.46Å; A199-I343 HydrophobicContact CB-CG2 4.49Å; M200-I343 PolarHBondContact N-O 3.18Å; I343-I424 CarbonylContact C-O 3.12Å; I343-I424 WeakPolarHBondContact CA-O 3.47Å; I343-I424 HydrophobicContact CB-CD1 4.36Å; I343-I424 HydrophobicContact CB-CG1 4.04Å; I343-I424 HydrophobicContact CG1-CD1 4.39Å; I343-I424 HydrophobicContact CG1-CG1 4.18Å; I343-Q426 HydrophobicContact CD1-CB 4.05Å; I343-Q426 HydrophobicContact CG1-CB 4.17Å; I343-V434 HydrophobicContact CD1-CG2 4.21Å
344A96.4Very high94.6Very high0 Ų028.1 Ų28.10%017%0.169CC..EExtended strand (participates in β ladder)trans-108.2118.4176.400000109.3M200 F348 V423 I424 F425 Q426M200-A344 HydrophobicContact CB-CB 4.34Å; M200-A344 HydrophobicContact CE-CB 3.93Å; M200-A344 WeakPolarHBondContact O-CA 3.15Å; A344-F348 HydrophobicContact CB-CB 3.84Å; A344-F348 HydrophobicContact CB-CD2 4.23Å; A344-F348 HydrophobicContact CB-CG 4.05Å; A344-V423 HydrophobicContact CB-CG1 4.17Å; A344-I424 PolarHBondContact N-O 2.9Å; A344-F425 HydrophobicContact CB-CD1 3.62Å; A344-F425 HydrophobicContact CB-CE1 3.71Å; A344-F425 HydrophobicContact CB-CG 4.39Å; A344-F425 WeakPolarHBondContact O-CA 3.31Å; A344-Q426 PolarHBondContact O-N 2.94Å
345F93Very high94.6Very high2 Ų227.9 Ų27.91%0.00917%0.168CC..EExtended strand (participates in β ladder)trans-126.5-172.4-173.658.8-87000111.8A199 M200 D201 A347 F348 Q426 V434A199-F345 HydrophobicContact CB-CE1 4.12Å; M200-F345 WeakPolarHBondContact O-CD1 3.33Å; M200-F345 PolarHBondContact O-N 2.67Å; D201-F345 HydrophobicContact CB-CD2 4.37Å; D201-F345 HydrophobicContact CB-CE1 4.27Å; D201-F345 HydrophobicContact CB-CE2 3.59Å; D201-F345 HydrophobicContact CB-CZ 3.53Å; D201-F345 VanDerWaalsContact OD2-CE2 3.29Å; D201-F345 WeakPolarHBondContact OD2-CE2 3.48Å; F345-A347 PolarHBondContact O-N 3.46Å; F345-F348 WeakPolarHBondContact O-CB 3.19Å; F345-F348 PolarHBondContact O-N 3.4Å; F345-Q426 WeakPolarHBondContact CA-O 3.5Å; F345-Q426 WeakPolarHBondContact CB-O 3.4Å; F345-V434 HydrophobicContact CB-CB 4.25Å; F345-V434 HydrophobicContact CB-CG1 4.29Å; F345-V434 HydrophobicContact CD1-CB 4.49Å; F345-V434 HydrophobicContact CD1-CG1 3.64Å; F345-V434 HydrophobicContact CD2-CB 4.34Å; F345-V434 HydrophobicContact CD2-CG1 4.04Å; F345-V434 WeakPolarHBondContact CD2-O 3.49Å; F345-V434 HydrophobicContact CE1-CG1 3.87Å; F345-V434 HydrophobicContact CE2-CG1 4.25Å; F345-V434 HydrophobicContact CG-CB 4.14Å; F345-V434 HydrophobicContact CG-CG1 3.74Å; F345-V434 HydrophobicContact CZ-CG1 4.17Å
346S90.8Very high94.7Very high36 Ų3632.8 Ų32.825%0.25219%0.187SC..EExtended strand (participates in β ladder)trans56.3-132.8-174.4-54.10000112D201 L202 F348 F349 Y350D201-S346 WeakPolarHBondContact OD1-CB 3.47Å; D201-S346 PolarHBondContact OD1-OG 3.47Å; L202-S346 WeakPolarHBondContact O-CB 3.28Å; S346-F348 PolarHBondContact O-N 3.13Å; S346-F349 WeakPolarHBondContact O-CB 3.21Å; S346-F349 PolarHBondContact O-N 3.28Å; S346-Y350 WeakPolarHBondContact O-CD2 3.42Å; S346-Y350 PolarHBondContact O-N 3.34Å
347A94.9Very high94.7Very high12 Ų1237.6 Ų37.610%0.09922%0.216CC..Hα-helixtrans-67-16.3-175.900000114L202 R245 F345 T351L202-A347 HydrophobicContact CB-CB 4.13Å; L202-A347 HydrophobicContact CD2-CB 3.87Å; L202-A347 HydrophobicContact CG-CB 3.82Å; L202-A347 WeakPolarHBondContact O-CB 3.46Å; L202-A347 PolarHBondContact O-N 2.96Å; R245-A347 HydrophobicContact CB-CB 4.26Å; F345-A347 PolarHBondContact O-N 3.46Å; A347-T351 VanDerWaalsContact O-CB 3.26Å; A347-T351 WeakPolarHBondContact O-CB 3.41Å; A347-T351 PolarHBondContact O-N 3.04Å; A347-T351 PolarHBondContact O-OG1 3.4Å
348F97.6Very high94.7Very high0 Ų036.8 Ų36.80%021%0.211CC..Hα-helixtrans-60.2-50.6166.9-75.6-66.5000110.6M200 L202 A344 F345 S346 V352 V405 L408 L409 Y413 F425M200-F348 HydrophobicContact CB-CD2 4.17Å; M200-F348 HydrophobicContact CB-CE2 3.73Å; M200-F348 HydrophobicContact CB-CZ 4.37Å; L202-F348 HydrophobicContact CB-CD2 3.45Å; L202-F348 VanDerWaalsContact CB-CD2 3.45Å; L202-F348 HydrophobicContact CB-CE2 3.54Å; L202-F348 HydrophobicContact CB-CG 3.97Å; L202-F348 HydrophobicContact CB-CZ 4.13Å; L202-F348 HydrophobicContact CD2-CD1 4.35Å; L202-F348 HydrophobicContact CD2-CE1 4.42Å; L202-F348 HydrophobicContact CD2-CG 4.46Å; A344-F348 HydrophobicContact CB-CB 3.84Å; A344-F348 HydrophobicContact CB-CD2 4.23Å; A344-F348 HydrophobicContact CB-CG 4.05Å; F345-F348 WeakPolarHBondContact O-CB 3.19Å; F345-F348 PolarHBondContact O-N 3.4Å; S346-F348 PolarHBondContact O-N 3.13Å; F348-V352 WeakPolarHBondContact O-CB 2.96Å; F348-V352 WeakPolarHBondContact O-CG2 3.18Å; F348-V352 PolarHBondContact O-N 2.91Å; F348-V352 VanDerWaalsContact O-N 3.08Å; F348-V405 HydrophobicContact CD1-CB 4.4Å; F348-V405 HydrophobicContact CD1-CG1 3.76Å; F348-V405 HydrophobicContact CD1-CG2 3.86Å; F348-V405 HydrophobicContact CE1-CG1 4.05Å; F348-V405 HydrophobicContact CE1-CG2 4.13Å; F348-L408 HydrophobicContact CE1-CD2 4.06Å; F348-L408 HydrophobicContact CZ-CD2 3.69Å; F348-L409 HydrophobicContact CE1-CD2 4.06Å; F348-L409 HydrophobicContact CE1-CG 4.28Å; F348-L409 HydrophobicContact CZ-CD2 4.41Å; F348-Y413 HydrophobicContact CZ-CE2 4.34Å; F348-F425 HydrophobicContact CB-CD1 4Å; F348-F425 HydrophobicContact CB-CE1 4.09Å; F348-F425 HydrophobicContact CD1-CE1 4.38Å
349F95.8Very high94.8Very high30 Ų3036 Ų3613%0.13221%0.207CC..Hα-helixtrans-60.6-51.8178.8169.6-92.3000111.1S346 T351 V352 D353 K427S346-F349 WeakPolarHBondContact O-CB 3.21Å; S346-F349 PolarHBondContact O-N 3.28Å; F349-T351 VanDerWaalsContact C-N 3.3Å; F349-T351 PolarHBondContact O-N 3.46Å; F349-V352 PolarHBondContact O-N 3.24Å; F349-D353 HydrophobicContact CE1-CB 4.13Å; F349-D353 HydrophobicContact CE2-CB 4.37Å; F349-D353 HydrophobicContact CZ-CB 4.04Å; F349-D353 WeakPolarHBondContact O-CB 3.45Å; F349-D353 PolarHBondContact O-N 3.48Å; F349-K427 HydrophobicContact CD1-CB 3.61Å; F349-K427 HydrophobicContact CD1-CD 4.09Å; F349-K427 HydrophobicContact CD1-CG 3.95Å; F349-K427 HydrophobicContact CD2-CB 4.33Å; F349-K427 HydrophobicContact CD2-CG 4.49Å; F349-K427 HydrophobicContact CE1-CB 3.88Å; F349-K427 HydrophobicContact CE1-CD 3.52Å; F349-K427 HydrophobicContact CE1-CG 3.65Å; F349-K427 HydrophobicContact CE2-CG 4.21Å; F349-K427 HydrophobicContact CG-CB 3.87Å; F349-K427 HydrophobicContact CG-CG 4.37Å; F349-K427 HydrophobicContact CZ-CB 4.33Å; F349-K427 HydrophobicContact CZ-CD 3.94Å; F349-K427 HydrophobicContact CZ-CG 3.79Å
350Y94.2Very high95.2Very high127 Ų12736.3 Ų36.350%0.49821%0.214SC..Hα-helixtrans-63-35.7-175.9-65.5-64.8000113S346 F354S346-Y350 WeakPolarHBondContact O-CD2 3.42Å; S346-Y350 PolarHBondContact O-N 3.34Å; Y350-F354 WeakPolarHBondContact O-CB 3.3Å; Y350-F354 PolarHBondContact O-N 2.85Å; Y350-F354 VanDerWaalsContact O-N 3.1Å
351T96.8Very high95.6Very high7 Ų735.2 Ų35.24%0.04320%0.196CC..Hα-helixtrans-68.6-46.5177-56.80000111.1A347 F349 F354 L355 A402 V405A347-T351 VanDerWaalsContact O-CB 3.26Å; A347-T351 WeakPolarHBondContact O-CB 3.41Å; A347-T351 PolarHBondContact O-N 3.04Å; A347-T351 PolarHBondContact O-OG1 3.4Å; F349-T351 VanDerWaalsContact C-N 3.3Å; F349-T351 PolarHBondContact O-N 3.46Å; T351-F354 PolarHBondContact O-N 3.29Å; T351-L355 WeakPolarHBondContact O-CG 3.34Å; T351-L355 PolarHBondContact O-N 3.46Å; T351-A402 HydrophobicContact CG2-CB 3.95Å; T351-V405 HydrophobicContact CG2-CG2 4.28Å
352V97.3Very high95.7Very high1 Ų134.5 Ų34.51%0.00620%0.196CC..Hα-helixtrans-71.3-37.1-179.2171.60000111.9F348 F349 F354 L355 R356 V363 L369 F425F348-V352 WeakPolarHBondContact O-CB 2.96Å; F348-V352 WeakPolarHBondContact O-CG2 3.18Å; F348-V352 PolarHBondContact O-N 2.91Å; F348-V352 VanDerWaalsContact O-N 3.08Å; F349-V352 PolarHBondContact O-N 3.24Å; V352-F354 VanDerWaalsContact C-N 3.34Å; V352-L355 PolarHBondContact O-N 2.98Å; V352-R356 WeakPolarHBondContact O-CG 3.4Å; V352-R356 PolarHBondContact O-N 2.98Å; V352-V363 HydrophobicContact CG1-CG2 3.71Å; V352-L369 HydrophobicContact CG2-CD1 4.44Å; V352-F425 HydrophobicContact CB-CB 4.37Å; V352-F425 HydrophobicContact CB-CD1 4Å; V352-F425 HydrophobicContact CB-CD2 4.46Å; V352-F425 HydrophobicContact CB-CE1 4.43Å; V352-F425 HydrophobicContact CB-CG 4.02Å; V352-F425 HydrophobicContact CG1-CB 4.14Å; V352-F425 HydrophobicContact CG1-CD1 4.31Å; V352-F425 HydrophobicContact CG1-CD2 3.89Å; V352-F425 HydrophobicContact CG1-CE2 4.38Å; V352-F425 HydrophobicContact CG1-CG 3.84Å; V352-F425 HydrophobicContact CG2-CD1 3.63Å; V352-F425 HydrophobicContact CG2-CD2 4.32Å; V352-F425 HydrophobicContact CG2-CE1 3.57Å; V352-F425 HydrophobicContact CG2-CE2 4.26Å; V352-F425 HydrophobicContact CG2-CG 4.02Å; V352-F425 HydrophobicContact CG2-CZ 3.89Å
353D96.1Very high95.8Very high62 Ų6234.7 Ų34.733%0.33220%0.197SC..Hα-helixtrans-62.9-40.6174.1-175.751.1000111.2F349 L355 R356 T357F349-D353 HydrophobicContact CE1-CB 4.13Å; F349-D353 HydrophobicContact CE2-CB 4.37Å; F349-D353 HydrophobicContact CZ-CB 4.04Å; F349-D353 WeakPolarHBondContact O-CB 3.45Å; F349-D353 PolarHBondContact O-N 3.48Å; D353-L355 PolarHBondContact O-N 3.33Å; D353-R356 PolarHBondContact O-N 3.31Å; D353-T357 VanDerWaalsContact O-CB 3.22Å; D353-T357 WeakPolarHBondContact O-CB 3.01Å; D353-T357 PolarHBondContact O-N 2.94Å; D353-T357 PolarHBondContact O-OG1 2.9Å; D353-T357 PolarHBondContact OD1-OG1 3.46Å
354F95.8Very high95.7Very high8 Ų838 Ų384%0.03523%0.225CC..Iπ-helixtrans-60.4-44.1173.6-177.7-91.5000112.4Y350 T351 V352 R356 S358 M359 L376 V388 L395 Y398Y350-F354 WeakPolarHBondContact O-CB 3.3Å; Y350-F354 PolarHBondContact O-N 2.85Å; Y350-F354 VanDerWaalsContact O-N 3.1Å; T351-F354 PolarHBondContact O-N 3.29Å; V352-F354 VanDerWaalsContact C-N 3.34Å; F354-R356 VanDerWaalsContact C-N 3.35Å; F354-R356 PolarHBondContact O-N 3.06Å; F354-S358 WeakPolarHBondContact O-CA 3.4Å; F354-S358 VanDerWaalsContact O-CB 3.3Å; F354-S358 WeakPolarHBondContact O-CB 3.44Å; F354-S358 PolarHBondContact O-N 2.71Å; F354-M359 HydrophobicContact CD1-CG 4.14Å; F354-M359 HydrophobicContact CE1-CG 3.74Å; F354-M359 HydrophobicContact CE1-SD 4.23Å; F354-M359 HydrophobicContact CZ-CG 4.47Å; F354-M359 PolarHBondContact O-N 3.16Å; F354-L376 HydrophobicContact CD1-CD2 4.36Å; F354-L376 HydrophobicContact CE1-CD1 3.85Å; F354-L376 HydrophobicContact CE1-CD2 4.18Å; F354-V388 HydrophobicContact CE2-CG2 3.9Å; F354-V388 HydrophobicContact CZ-CG2 4.21Å; F354-L395 HydrophobicContact CE2-CD1 3.8Å; F354-L395 HydrophobicContact CZ-CD1 3.59Å; F354-Y398 HydrophobicContact CB-CD1 3.76Å; F354-Y398 HydrophobicContact CB-CE1 3.44Å; F354-Y398 VanDerWaalsContact CB-CE1 3.44Å; F354-Y398 HydrophobicContact CB-CG 4.49Å; F354-Y398 AromaticContact CD1-CD1 3.73Å; F354-Y398 HydrophobicContact CD1-CD1 3.73Å; F354-Y398 HydrophobicContact CD1-CD2 4.14Å; F354-Y398 HydrophobicContact CD1-CE1 4.2Å; F354-Y398 AromaticContact CD1-CG 3.7Å; F354-Y398 HydrophobicContact CD1-CG 3.7Å; F354-Y398 HydrophobicContact CD2-CD1 4.18Å; F354-Y398 AromaticContact CD2-CD2 3.89Å; F354-Y398 HydrophobicContact CD2-CD2 3.89Å; F354-Y398 AromaticContact CD2-CE1 3.88Å; F354-Y398 HydrophobicContact CD2-CE1 3.88Å; F354-Y398 AromaticContact CD2-CE2 3.58Å; F354-Y398 HydrophobicContact CD2-CE2 3.58Å; F354-Y398 HydrophobicContact CD2-CG 4.18Å; F354-Y398 AromaticContact CD2-CZ 3.57Å; F354-Y398 HydrophobicContact CE1-CD1 4.39Å; F354-Y398 HydrophobicContact CE1-CD2 4.06Å; F354-Y398 AromaticContact CE1-CG 3.89Å; F354-Y398 HydrophobicContact CE1-CG 3.89Å; F354-Y398 AromaticContact CE2-CD2 3.78Å; F354-Y398 HydrophobicContact CE2-CD2 3.78Å; F354-Y398 AromaticContact CE2-CE2 3.72Å; F354-Y398 HydrophobicContact CE2-CE2 3.72Å; F354-Y398 HydrophobicContact CE2-CG 4.33Å; F354-Y398 AromaticContact CG-CD1 3.62Å; F354-Y398 HydrophobicContact CG-CD1 3.62Å; F354-Y398 HydrophobicContact CG-CD2 4.07Å; F354-Y398 AromaticContact CG-CE1 3.58Å; F354-Y398 HydrophobicContact CG-CE1 3.58Å; F354-Y398 HydrophobicContact CG-CE2 4.05Å; F354-Y398 AromaticContact CG-CG 3.86Å; F354-Y398 HydrophobicContact CG-CG 3.86Å; F354-Y398 AromaticContact CG-CZ 3.8Å; F354-Y398 AromaticContact CZ-CD2 3.89Å; F354-Y398 HydrophobicContact CZ-CD2 3.89Å; F354-Y398 HydrophobicContact CZ-CE2 4.31Å; F354-Y398 HydrophobicContact CZ-CG 4.21Å
355L97.5Very high95.8Very high0 Ų040.1 Ų40.10%024%0.238CC..Iπ-helixtrans-62.4-41176.3-67.6173000112.1T351 V352 D353 M359 G360 L361 V363 L369 A372 L376 A402T351-L355 WeakPolarHBondContact O-CG 3.34Å; T351-L355 PolarHBondContact O-N 3.46Å; V352-L355 PolarHBondContact O-N 2.98Å; D353-L355 PolarHBondContact O-N 3.33Å; L355-M359 WeakPolarHBondContact O-CB 3.45Å; L355-G360 PolarHBondContact O-N 2.98Å; L355-L361 PolarHBondContact O-N 2.85Å; L355-V363 HydrophobicContact CB-CG1 4.05Å; L355-V363 HydrophobicContact CD1-CG1 4.09Å; L355-L369 HydrophobicContact CD1-CD1 3.77Å; L355-A372 HydrophobicContact CD1-CB 4.24Å; L355-A372 HydrophobicContact CD2-CB 4.23Å; L355-L376 HydrophobicContact CD2-CB 4.13Å; L355-L376 HydrophobicContact CD2-CD2 3.69Å; L355-A402 HydrophobicContact CD1-CB 4.05Å; L355-A402 HydrophobicContact CD2-CB 4.34Å
356R96.9Very high96Very high108 Ų10840.6 Ų40.641%0.40824%0.241SC..Iπ-helixtrans-73.9-53.1-179.5-71176-175.5174.32.9112.3V352 D353 F354 G360 V363V352-R356 WeakPolarHBondContact O-CG 3.4Å; V352-R356 PolarHBondContact O-N 2.98Å; D353-R356 PolarHBondContact O-N 3.31Å; F354-R356 VanDerWaalsContact C-N 3.35Å; F354-R356 PolarHBondContact O-N 3.06Å; R356-G360 WeakPolarHBondContact O-CA 3.49Å; R356-G360 PolarHBondContact O-N 3.34Å; R356-V363 HydrophobicContact CG-CG2 3.46Å; R356-V363 VanDerWaalsContact CG-CG2 3.46Å
357T94.9Very high96.4Very high102 Ų10245.7 Ų45.763%0.62626%0.26SS*.Iπ-helixtrans-88-45.7-165.2-55.70000111.4D353D353-T357 VanDerWaalsContact O-CB 3.22Å; D353-T357 WeakPolarHBondContact O-CB 3.01Å; D353-T357 PolarHBondContact O-N 2.94Å; D353-T357 PolarHBondContact O-OG1 2.9Å; D353-T357 PolarHBondContact OD1-OG1 3.46Å
358S93.8Very high96.6Very high41 Ų4148.2 Ų48.229%0.28727%0.27SS..Iπ-helixtrans-86.6-39-177.3-53.20000112.5F354F354-S358 WeakPolarHBondContact O-CA 3.4Å; F354-S358 VanDerWaalsContact O-CB 3.3Å; F354-S358 WeakPolarHBondContact O-CB 3.44Å; F354-S358 PolarHBondContact O-N 2.71Å
359M95.2Very high96.6Very high11 Ų1148.3 Ų48.35%0.05427%0.27CS..SBendtrans-92-18.3180-63.3-62.7-63.900113.4F354 L355 L361 L376 Q379 L384F354-M359 HydrophobicContact CD1-CG 4.14Å; F354-M359 HydrophobicContact CE1-CG 3.74Å; F354-M359 HydrophobicContact CE1-SD 4.23Å; F354-M359 HydrophobicContact CZ-CG 4.47Å; F354-M359 PolarHBondContact O-N 3.16Å; L355-M359 WeakPolarHBondContact O-CB 3.45Å; M359-L361 VanDerWaalsContact C-N 3.31Å; M359-L361 HydrophobicContact CB-CD1 3.66Å; M359-L361 HydrophobicContact CB-CG 3.83Å; M359-L361 HydrophobicContact CE-CD1 4.39Å; M359-L361 HydrophobicContact CG-CD1 4.46Å; M359-L376 HydrophobicContact CE-CD1 4.07Å; M359-L376 HydrophobicContact CG-CD1 4.2Å; M359-L376 HydrophobicContact SD-CD1 3.98Å; M359-Q379 HydrophobicContact CE-CG 3.76Å; M359-L384 HydrophobicContact SD-CD2 4.13Å
360G96.6Very high96.7Very high61 Ų6150 Ų5063%0.62928%0.279SS*.  trans7026.1-179.200000113.5L355 R356L355-G360 PolarHBondContact O-N 2.98Å; R356-G360 WeakPolarHBondContact O-CA 3.49Å; R356-G360 PolarHBondContact O-N 3.34Å
361L97.6Very high96.9Very high33 Ų3346.8 Ų46.817%0.17328%0.278CS..  trans-101.8138.6-171.7-61.4170.5000111.6L355 M359 A372 N375L355-L361 PolarHBondContact O-N 2.85Å; M359-L361 VanDerWaalsContact C-N 3.31Å; M359-L361 HydrophobicContact CB-CD1 3.66Å; M359-L361 HydrophobicContact CB-CG 3.83Å; M359-L361 HydrophobicContact CE-CD1 4.39Å; M359-L361 HydrophobicContact CG-CD1 4.46Å; L361-A372 HydrophobicContact CB-CB 3.83Å; L361-A372 HydrophobicContact CD1-CB 3.98Å; L361-N375 HydrophobicContact CD1-CB 3.95Å
362P97.1Very high97Very high81 Ų8146.5 Ų46.553%0.52628%0.277SS..  trans-71.6145.3174.632.1-35.4000110.6Q368P362-Q368 HydrophobicContact CB-CG 4.44Å; P362-Q368 HydrophobicContact CG-CG 4.43Å; P362-Q368 WeakPolarHBondContact O-CB 3.24Å
363V97.4Very high97.1Very high5 Ų546.5 Ų46.53%0.0328%0.277CS..  trans-15037.3-177.9-620000111.2V352 L355 R356 L369 A372V352-V363 HydrophobicContact CG1-CG2 3.71Å; L355-V363 HydrophobicContact CB-CG1 4.05Å; L355-V363 HydrophobicContact CD1-CG1 4.09Å; R356-V363 HydrophobicContact CG-CG2 3.46Å; R356-V363 VanDerWaalsContact CG-CG2 3.46Å; V363-L369 HydrophobicContact CB-CD1 4.27Å; V363-L369 HydrophobicContact CG1-CD1 4.06Å; V363-A372 HydrophobicContact CG1-CB 3.71Å
364A95.2Very high97.2Very high70 Ų7045.6 Ų45.658%0.57927%0.273SS*.SBendtrans-84.2-18.5-179.800000113.1
365T97.9Very high97.3Very high45 Ų4548.3 Ų48.328%0.27629%0.288SS..SBendtrans-122.5161.2175.169.50000110.5Q367 Q368 L369 E417 F420T365-Q367 VanDerWaalsContact C-N 3.26Å; T365-Q367 PolarHBondContact O-N 2.76Å; T365-Q368 PolarHBondContact O-N 2.94Å; T365-Q368 WeakPolarHBondContact OG1-CB 3.47Å; T365-Q368 VanDerWaalsContact OG1-CG 3.25Å; T365-Q368 WeakPolarHBondContact OG1-CG 3.43Å; T365-Q368 PolarHBondContact OG1-N 2.8Å; T365-L369 PolarHBondContact O-N 2.95Å; T365-E417 WeakPolarHBondContact CA-OE2 3.38Å; T365-E417 VanDerWaalsContact CB-OE2 3.23Å; T365-E417 WeakPolarHBondContact CB-OE2 3.37Å; T365-F420 VanDerWaalsContact C-CE1 3.43Å
366L97.8Very high97.4Very high13 Ų1348.5 Ų48.57%0.06829%0.289CS..Hα-helixtrans-61.4-38.9174.7-72.6171.4000110.9Q368 L369 E370 L409 F415 E417 F420L366-Q368 VanDerWaalsContact C-N 3.34Å; L366-Q368 PolarHBondContact O-N 2.84Å; L366-L369 PolarHBondContact O-N 3.32Å; L366-E370 PolarHBondContact O-N 3.3Å; L366-L409 HydrophobicContact CD2-CB 4.37Å; L366-F415 HydrophobicContact CD1-CB 4.36Å; L366-F415 WeakPolarHBondContact CD1-O 3.49Å; L366-E417 PolarHBondContact N-OE1 3.29Å; L366-E417 PolarHBondContact N-OE2 3.2Å; L366-F420 HydrophobicContact CD1-CB 4.04Å; L366-F420 HydrophobicContact CD1-CG 4.4Å; L366-F420 HydrophobicContact CD2-CB 4.19Å; L366-F420 HydrophobicContact CD2-CD1 4.23Å; L366-F420 HydrophobicContact CD2-CD2 3.45Å; L366-F420 VanDerWaalsContact CD2-CD2 3.45Å; L366-F420 HydrophobicContact CD2-CE2 3.79Å; L366-F420 HydrophobicContact CD2-CG 3.69Å; L366-F420 HydrophobicContact CD2-CZ 4.3Å; L366-F420 HydrophobicContact CG-CB 3.74Å; L366-F420 HydrophobicContact CG-CD1 3.96Å; L366-F420 HydrophobicContact CG-CD2 3.93Å; L366-F420 HydrophobicContact CG-CG 3.6Å
367Q97.9Very high97.4Very high142 Ų14243.5 Ų43.566%0.66427%0.271SS*.Hα-helixtrans-61.2-41.5174.3-171.9-178.715.900112.4T365 E370 A371 E417T365-Q367 VanDerWaalsContact C-N 3.26Å; T365-Q367 PolarHBondContact O-N 2.76Å; Q367-E370 PolarHBondContact O-N 3.39Å; Q367-A371 WeakPolarHBondContact O-CB 3.29Å; Q367-A371 PolarHBondContact O-N 3.01Å; Q367-E417 PolarHBondContact N-OE1 2.95Å
368Q98.4Very high97.6Very high66 Ų6642.5 Ų42.531%0.30826%0.262SS..Hα-helixtrans-67.3-40.6176.4-78.3176.90.100111.6P362 T365 L366 E370 A371 A372P362-Q368 HydrophobicContact CB-CG 4.44Å; P362-Q368 HydrophobicContact CG-CG 4.43Å; P362-Q368 WeakPolarHBondContact O-CB 3.24Å; T365-Q368 PolarHBondContact O-N 2.94Å; T365-Q368 WeakPolarHBondContact OG1-CB 3.47Å; T365-Q368 VanDerWaalsContact OG1-CG 3.25Å; T365-Q368 WeakPolarHBondContact OG1-CG 3.43Å; T365-Q368 PolarHBondContact OG1-N 2.8Å; L366-Q368 VanDerWaalsContact C-N 3.34Å; L366-Q368 PolarHBondContact O-N 2.84Å; Q368-E370 VanDerWaalsContact C-N 3.34Å; Q368-E370 PolarHBondContact O-N 3.29Å; Q368-A371 PolarHBondContact O-N 3.08Å; Q368-A372 VanDerWaalsContact O-CB 3.26Å; Q368-A372 WeakPolarHBondContact O-CB 3.42Å; Q368-A372 PolarHBondContact O-N 2.79Å
369L98.5Very high97.8Very high1 Ų141.6 Ų41.61%0.00525%0.253CS..Hα-helixtrans-61.3-41.7175.1-17961.3000111.8V352 L355 V363 T365 L366 A372 A373 V405 Q406 L409 F420V352-L369 HydrophobicContact CG2-CD1 4.44Å; L355-L369 HydrophobicContact CD1-CD1 3.77Å; V363-L369 HydrophobicContact CB-CD1 4.27Å; V363-L369 HydrophobicContact CG1-CD1 4.06Å; T365-L369 PolarHBondContact O-N 2.95Å; L366-L369 PolarHBondContact O-N 3.32Å; L369-A372 PolarHBondContact O-N 3.14Å; L369-A373 WeakPolarHBondContact O-CB 3.28Å; L369-A373 PolarHBondContact O-N 2.81Å; L369-V405 HydrophobicContact CD2-CG1 4.38Å; L369-Q406 HydrophobicContact CD2-CB 4.19Å; L369-Q406 HydrophobicContact CD2-CG 4.33Å; L369-Q406 HydrophobicContact CG-CB 4.08Å; L369-Q406 HydrophobicContact CG-CG 4.11Å; L369-L409 HydrophobicContact CD2-CD1 4.28Å; L369-F420 HydrophobicContact CD2-CE2 4.39Å; L369-F420 HydrophobicContact CD2-CZ 4.21Å
370E98.5Very high97.9Very high66 Ų6643.2 Ų43.231%0.30826%0.263SS..Hα-helixtrans-63.2-49.9173.8-174.2178-173.500111.8L366 Q367 Q368 A372 A373 V374 Q406L366-E370 PolarHBondContact O-N 3.3Å; Q367-E370 PolarHBondContact O-N 3.39Å; Q368-E370 VanDerWaalsContact C-N 3.34Å; Q368-E370 PolarHBondContact O-N 3.29Å; E370-A372 PolarHBondContact O-N 2.03Å; E370-A373 PolarHBondContact O-N 3.26Å; E370-V374 WeakPolarHBondContact O-CG2 3.38Å; E370-V374 PolarHBondContact O-N 2.77Å; E370-Q406 HydrophobicContact CB-CG 3.92Å
371A98.6Very high97.9Very high59 Ų5942 Ų4249%0.48824%0.24SC..Hα-helixtrans-59.2-38177.600000111.9Q367 Q368 N375Q367-A371 WeakPolarHBondContact O-CB 3.29Å; Q367-A371 PolarHBondContact O-N 3.01Å; Q368-A371 PolarHBondContact O-N 3.08Å; A371-N375 WeakPolarHBondContact O-CB 3.37Å; A371-N375 PolarHBondContact O-N 3.07Å
372A98.6Very high97.8Very high2 Ų243.5 Ų43.52%0.01726%0.257CS..Hα-helixtrans-67.7-43.4177.200000112.2L355 L361 V363 Q368 L369 E370 N375 L376L355-A372 HydrophobicContact CD1-CB 4.24Å; L355-A372 HydrophobicContact CD2-CB 4.23Å; L361-A372 HydrophobicContact CB-CB 3.83Å; L361-A372 HydrophobicContact CD1-CB 3.98Å; V363-A372 HydrophobicContact CG1-CB 3.71Å; Q368-A372 VanDerWaalsContact O-CB 3.26Å; Q368-A372 WeakPolarHBondContact O-CB 3.42Å; Q368-A372 PolarHBondContact O-N 2.79Å; L369-A372 PolarHBondContact O-N 3.14Å; E370-A372 PolarHBondContact O-N 2.03Å; A372-N375 PolarHBondContact O-N 2.92Å; A372-L376 WeakPolarHBondContact O-CB 3.41Å; A372-L376 PolarHBondContact O-N 2.9Å
373A98.5Very high97.8Very high0 Ų044 Ų440%025%0.252CS..Hα-helixtrans-61.3-45174.500000111.6L369 E370 L376 C377 A402L369-A373 WeakPolarHBondContact O-CB 3.28Å; L369-A373 PolarHBondContact O-N 2.81Å; E370-A373 PolarHBondContact O-N 3.26Å; A373-L376 PolarHBondContact O-N 3.37Å; A373-C377 WeakPolarHBondContact O-CB 3.32Å; A373-C377 PolarHBondContact O-N 3.07Å; A373-C377 PolarHBondContact O-SG 3.37Å; A373-A402 HydrophobicContact CB-CB 3.91Å
374V98.6Very high97.6Very high43 Ų4344 Ų4426%0.26125%0.253SS..Hα-helixtrans-62.3-43.7176.4170.30000111.5P307 E370 L376 C377 N378 M403P307-V374 HydrophobicContact CB-CB 4.41Å; P307-V374 HydrophobicContact CB-CG1 3.97Å; P307-V374 HydrophobicContact CB-CG2 4.44Å; P307-V374 HydrophobicContact CG-CG1 4.21Å; E370-V374 WeakPolarHBondContact O-CG2 3.38Å; E370-V374 PolarHBondContact O-N 2.77Å; V374-L376 VanDerWaalsContact C-N 3.34Å; V374-L376 PolarHBondContact O-N 3.05Å; V374-C377 PolarHBondContact O-N 3.09Å; V374-N378 PolarHBondContact O-N 3.39Å; V374-N378 VanDerWaalsContact O-N 3.12Å; V374-N378 PolarHBondContact O-ND2 3.39Å; V374-M403 HydrophobicContact CG2-CE 4.48Å
375N98.4Very high97.6Very high65 Ų6543.6 Ų43.635%0.34824%0.239SC..Hα-helixtrans-61-44.4177.3-175.3-75.7000111.8L361 A371 A372 N378 Q379L361-N375 HydrophobicContact CD1-CB 3.95Å; A371-N375 WeakPolarHBondContact O-CB 3.37Å; A371-N375 PolarHBondContact O-N 3.07Å; A372-N375 PolarHBondContact O-N 2.92Å; N375-N378 PolarHBondContact O-N 3.48Å; N375-Q379 PolarHBondContact O-NE2 3.33Å; N375-Q379 VanDerWaalsContact O-NE2 3.15Å; N375-Q379 PolarHBondContact OD1-NE2 2.86Å
376L98Very high97.4Very high4 Ų445.2 Ų45.22%0.02126%0.257CS..Hα-helixtrans-61.6-46.5176.5173.759.2000111.6F354 L355 M359 A372 A373 V374 N378 Q379 L384 Y398 C399 A402F354-L376 HydrophobicContact CD1-CD2 4.36Å; F354-L376 HydrophobicContact CE1-CD1 3.85Å; F354-L376 HydrophobicContact CE1-CD2 4.18Å; L355-L376 HydrophobicContact CD2-CB 4.13Å; L355-L376 HydrophobicContact CD2-CD2 3.69Å; M359-L376 HydrophobicContact CE-CD1 4.07Å; M359-L376 HydrophobicContact CG-CD1 4.2Å; M359-L376 HydrophobicContact SD-CD1 3.98Å; A372-L376 WeakPolarHBondContact O-CB 3.41Å; A372-L376 PolarHBondContact O-N 2.9Å; A373-L376 PolarHBondContact O-N 3.37Å; V374-L376 VanDerWaalsContact C-N 3.34Å; V374-L376 PolarHBondContact O-N 3.05Å; L376-N378 PolarHBondContact O-N 2.97Å; L376-Q379 WeakPolarHBondContact O-CB 3.27Å; L376-Q379 WeakPolarHBondContact O-CG 3.5Å; L376-Q379 PolarHBondContact O-N 3.33Å; L376-Q379 VanDerWaalsContact O-N 3.07Å; L376-L384 HydrophobicContact CD1-CD2 3.68Å; L376-Y398 WeakPolarHBondContact CD2-O 3.45Å; L376-C399 HydrophobicContact CG-CB 4.28Å; L376-A402 HydrophobicContact CD2-CB 4.17Å
377C98.4Very high97Very high3 Ų350.7 Ų50.72%0.0228%0.276CS..Hα-helixtrans-66.6-18.6179.8-69.60000114.2S305 P307 A373 V374 C399S305-C377 CarbonylContact C-O 3.56Å; S305-C377 WeakPolarHBondContact CA-O 3.19Å; S305-C377 VanDerWaalsContact CB-O 3.32Å; S305-C377 WeakPolarHBondContact CB-O 3.36Å; P307-C377 HydrophobicContact CB-CB 3.84Å; A373-C377 WeakPolarHBondContact O-CB 3.32Å; A373-C377 PolarHBondContact O-N 3.07Å; A373-C377 PolarHBondContact O-SG 3.37Å; V374-C377 PolarHBondContact O-N 3.09Å; C377-C399 WeakPolarHBondContact CA-SG 3.32Å; C377-C399 HydrophobicContact CB-CB 4.02Å; C377-C399 WeakPolarHBondContact CB-SG 3.44Å; C377-C399 VanDerWaalsContact SG-CA 3.55Å; C377-C399 WeakPolarHBondContact SG-CB 3.25Å; C377-C399 CovalentContact SG-SG 2.02Å; C377-C399 PolarHBondContact SG-SG 3.31Å
378N98Very high96.5Very high82 Ų8244.6 Ų44.644%0.43925%0.249SC..THydrogen-bonded Turntrans-82.8-10.3173.4-83.8-41.9000113.9P307 V374 N375 L376P307-N378 WeakPolarHBondContact CD-OD1 3.42Å; P307-N378 VanDerWaalsContact CG-OD1 3.29Å; P307-N378 WeakPolarHBondContact CG-OD1 3.46Å; V374-N378 PolarHBondContact O-N 3.39Å; V374-N378 VanDerWaalsContact O-N 3.12Å; V374-N378 PolarHBondContact O-ND2 3.39Å; N375-N378 PolarHBondContact O-N 3.48Å; L376-N378 PolarHBondContact O-N 2.97Å
379Q97.6Very high95.6Very high22 Ų2246.8 Ų46.810%0.10327%0.269CS..  trans-73.6143-178.8-57.2-60.1-59.100111.6P267 S305 M359 N375 L376 L384P267-Q379 WeakPolarHBondContact CB-O 3.44Å; S305-Q379 PolarHBondContact OG-O 3.49Å; M359-Q379 HydrophobicContact CE-CG 3.76Å; N375-Q379 PolarHBondContact O-NE2 3.33Å; N375-Q379 VanDerWaalsContact O-NE2 3.15Å; N375-Q379 PolarHBondContact OD1-NE2 2.86Å; L376-Q379 WeakPolarHBondContact O-CB 3.27Å; L376-Q379 WeakPolarHBondContact O-CG 3.5Å; L376-Q379 PolarHBondContact O-N 3.33Å; L376-Q379 VanDerWaalsContact O-N 3.07Å; Q379-L384 HydrophobicContact CB-CD1 4.27Å; Q379-L384 HydrophobicContact CB-CD2 3.69Å; Q379-L384 HydrophobicContact CB-CG 3.7Å; Q379-L384 HydrophobicContact CG-CD2 3.89Å; Q379-L384 HydrophobicContact CG-CG 4.44Å
380T98Very high94.4Very high44 Ų4450.8 Ų50.827%0.2731%0.31SS..  trans-79.1162.5167.7640000111.2R268 A382 Q383 L384R268-T380 HydrophobicContact CB-CG2 4.42Å; T380-A382 VanDerWaalsContact C-N 3.33Å; T380-A382 PolarHBondContact O-N 3.28Å; T380-Q383 PolarHBondContact O-N 3.3Å; T380-Q383 VanDerWaalsContact OG1-CD 3.22Å; T380-Q383 VanDerWaalsContact OG1-CG 3.25Å; T380-Q383 WeakPolarHBondContact OG1-CG 3.45Å; T380-Q383 PolarHBondContact OG1-N 3.22Å; T380-Q383 PolarHBondContact OG1-OE1 3.23Å; T380-L384 PolarHBondContact O-N 3.07Å
381W96.7Very high93Very high35 Ų3553.1 Ų53.113%0.13332%0.321CS..Hα-helixtrans-60.7-43.1-179.5-176.8-125.9000112.2P267 R268 F270 Q383 L384 Q385 L395 A396P267-W381 HydrophobicContact CB-CB 4.33Å; P267-W381 HydrophobicContact CB-CE3 4.48Å; P267-W381 HydrophobicContact CG-CB 4.33Å; P267-W381 HydrophobicContact CG-CD2 4.38Å; P267-W381 HydrophobicContact CG-CE3 3.53Å; P267-W381 HydrophobicContact CG-CZ3 4.22Å; R268-W381 WeakPolarHBondContact O-CB 3.48Å; R268-W381 PolarHBondContact O-N 2.74Å; F270-W381 HydrophobicContact CB-CB 4.15Å; F270-W381 HydrophobicContact CB-CD2 4Å; F270-W381 HydrophobicContact CB-CE3 4.23Å; F270-W381 HydrophobicContact CB-CG 3.98Å; F270-W381 AromaticContact CD2-CD2 3.97Å; F270-W381 HydrophobicContact CD2-CD2 3.97Å; F270-W381 AromaticContact CD2-CE2 3.78Å; F270-W381 HydrophobicContact CD2-CE3 4.18Å; F270-W381 HydrophobicContact CD2-CH2 4.04Å; F270-W381 AromaticContact CD2-CZ2 3.84Å; F270-W381 HydrophobicContact CD2-CZ2 3.84Å; F270-W381 HydrophobicContact CD2-CZ3 4.2Å; F270-W381 HydrophobicContact CE2-CH2 4.29Å; F270-W381 HydrophobicContact CE2-CZ2 4.23Å; F270-W381 HydrophobicContact CG-CD2 4.42Å; W381-Q383 VanDerWaalsContact C-N 3.33Å; W381-Q383 PolarHBondContact O-N 2.87Å; W381-L384 PolarHBondContact O-N 2.66Å; W381-Q385 HydrophobicContact CD2-CG 4.06Å; W381-Q385 VanDerWaalsContact CE2-CD 3.49Å; W381-Q385 HydrophobicContact CG-CG 4.49Å; W381-Q385 HydrophobicContact CZ2-CG 4.04Å; W381-Q385 VanDerWaalsContact NE1-NE2 3.19Å; W381-Q385 WeakPolarHBondContact O-CG 3.45Å; W381-Q385 PolarHBondContact O-N 3.3Å; W381-L395 HydrophobicContact CH2-CB 3.94Å; W381-L395 HydrophobicContact CH2-CD2 4.01Å; W381-L395 HydrophobicContact CH2-CG 4.19Å; W381-L395 HydrophobicContact CZ3-CB 3.88Å; W381-L395 HydrophobicContact CZ3-CD2 3.85Å; W381-L395 HydrophobicContact CZ3-CG 3.77Å; W381-A396 HydrophobicContact CZ3-CB 4.03Å
382A96.1Very high91.9Very high66 Ų6655.8 Ų55.855%0.54532%0.323SS..Hα-helixtrans-60.8-40.3176.700000112.5T380 A386T380-A382 VanDerWaalsContact C-N 3.33Å; T380-A382 PolarHBondContact O-N 3.28Å; A382-A386 WeakPolarHBondContact O-CB 3.38Å; A382-A386 PolarHBondContact O-N 2.77Å
383Q95.8Very high91Very high90 Ų9058.9 Ų58.942%0.42135%0.349SS..Hα-helixtrans-66.3-41177-73.7165.4-37.800111.9T380 W381 A386 R387T380-Q383 PolarHBondContact O-N 3.3Å; T380-Q383 VanDerWaalsContact OG1-CD 3.22Å; T380-Q383 VanDerWaalsContact OG1-CG 3.25Å; T380-Q383 WeakPolarHBondContact OG1-CG 3.45Å; T380-Q383 PolarHBondContact OG1-N 3.22Å; T380-Q383 PolarHBondContact OG1-OE1 3.23Å; W381-Q383 VanDerWaalsContact C-N 3.33Å; W381-Q383 PolarHBondContact O-N 2.87Å; Q383-A386 PolarHBondContact O-N 2.99Å; Q383-R387 WeakPolarHBondContact O-CG 3.39Å; Q383-R387 PolarHBondContact O-N 2.86Å
384L94.9Very high90.4Very high6 Ų663.8 Ų63.83%0.03137%0.372CS..Hα-helixtrans-65.8-44.8176.8-70175.7000111.8P267 M359 L376 Q379 T380 W381 A386 R387 V388 L395P267-L384 HydrophobicContact CB-CD1 3.71Å; P267-L384 HydrophobicContact CG-CD1 3.82Å; M359-L384 HydrophobicContact SD-CD2 4.13Å; L376-L384 HydrophobicContact CD1-CD2 3.68Å; Q379-L384 HydrophobicContact CB-CD1 4.27Å; Q379-L384 HydrophobicContact CB-CD2 3.69Å; Q379-L384 HydrophobicContact CB-CG 3.7Å; Q379-L384 HydrophobicContact CG-CD2 3.89Å; Q379-L384 HydrophobicContact CG-CG 4.44Å; T380-L384 PolarHBondContact O-N 3.07Å; W381-L384 PolarHBondContact O-N 2.66Å; L384-A386 VanDerWaalsContact C-N 3.3Å; L384-A386 PolarHBondContact O-N 2.86Å; L384-R387 PolarHBondContact O-N 2.68Å; L384-R387 VanDerWaalsContact O-N 3.16Å; L384-V388 PolarHBondContact O-N 3.37Å; L384-V388 VanDerWaalsContact O-N 3.12Å; L384-L395 HydrophobicContact CB-CD1 4.42Å; L384-L395 HydrophobicContact CB-CD2 4.11Å; L384-L395 HydrophobicContact CB-CG 4.24Å
385Q94.1Very high90.2Very high62 Ų6261.8 Ų61.829%0.2936%0.36SS..Hα-helixtrans-62-37.9176.9-71.4179.3-55.500112.2W381 R387 V388 L395W381-Q385 HydrophobicContact CD2-CG 4.06Å; W381-Q385 VanDerWaalsContact CE2-CD 3.49Å; W381-Q385 HydrophobicContact CG-CG 4.49Å; W381-Q385 HydrophobicContact CZ2-CG 4.04Å; W381-Q385 VanDerWaalsContact NE1-NE2 3.19Å; W381-Q385 WeakPolarHBondContact O-CG 3.45Å; W381-Q385 PolarHBondContact O-N 3.3Å; Q385-R387 VanDerWaalsContact C-N 3.29Å; Q385-R387 PolarHBondContact O-N 3.2Å; Q385-V388 CarbonylContact O-C 3.46Å; Q385-V388 PolarHBondContact O-N 3.26Å; Q385-L395 HydrophobicContact CG-CD2 4.41Å
386A93.4Very high90.1Very high79 Ų7959 Ų5965%0.65335%0.345SS*.Hα-helixtrans-65.9-30.8176.800000112.9A382 Q383 L384A382-A386 WeakPolarHBondContact O-CB 3.38Å; A382-A386 PolarHBondContact O-N 2.77Å; Q383-A386 PolarHBondContact O-N 2.99Å; L384-A386 VanDerWaalsContact C-N 3.3Å; L384-A386 PolarHBondContact O-N 2.86Å
387R90.1Very high90Very high127 Ų12760.3 Ų60.348%0.47935%0.352SS..Hα-helixtrans-78.5-32.4177.6-71.8178.5-175.7-80.5-0.8113.1Q383 L384 Q385 P389Q383-R387 WeakPolarHBondContact O-CG 3.39Å; Q383-R387 PolarHBondContact O-N 2.86Å; L384-R387 PolarHBondContact O-N 2.68Å; L384-R387 VanDerWaalsContact O-N 3.16Å; Q385-R387 VanDerWaalsContact C-N 3.29Å; Q385-R387 PolarHBondContact O-N 3.2Å; R387-P389 VanDerWaalsContact C-CD 3.42Å; R387-P389 WeakPolarHBondContact O-CD 3.48Å
388V87.3Confident90Very high15 Ų1562.1 Ų62.19%0.09136%0.359CS..SBendtrans-125.769.4-173.4-164.30000110.4F354 L384 Q385 G390 Q391 L395F354-V388 HydrophobicContact CE2-CG2 3.9Å; F354-V388 HydrophobicContact CZ-CG2 4.21Å; L384-V388 PolarHBondContact O-N 3.37Å; L384-V388 VanDerWaalsContact O-N 3.12Å; Q385-V388 CarbonylContact O-C 3.46Å; Q385-V388 PolarHBondContact O-N 3.26Å; V388-G390 PolarHBondContact O-N 2.87Å; V388-Q391 HydrophobicContact CG1-CB 3.94Å; V388-L395 HydrophobicContact CB-CD1 4.48Å; V388-L395 HydrophobicContact CG2-CD1 4.32Å
389P79.3Confident90Very high112 Ų11258.6 Ų58.673%0.72734%0.341SS*.THydrogen-bonded Turntrans-65.5120.5178.526.7-32.8000110.1R387R387-P389 VanDerWaalsContact C-CD 3.42Å; R387-P389 WeakPolarHBondContact O-CD 3.48Å
390G72.8Confident90Very high84 Ų8457.6 Ų57.687%0.86634%0.336SS*.THydrogen-bonded Turntrans102.5-9.6172.800000116.7V388V388-G390 PolarHBondContact O-N 2.87Å
391Q69.3Low90Very high116 Ų11656 Ų5654%0.54233%0.328SS..  trans-122.883.7177.1-163.9173.113.400111.2V388V388-Q391 HydrophobicContact CG1-CB 3.94Å
392Q77.1Confident90.1Very high114 Ų11454.3 Ų54.353%0.53332%0.322SS..  trans-91.8-24.1-179.3-64.2-165.9-8.700113.6H394 L395Q392-H394 PolarHBondContact O-N 2.99Å; Q392-L395 WeakPolarHBondContact O-CB 3.47Å; Q392-L395 PolarHBondContact O-N 3.47Å
393A79.3Confident90.3Very high67 Ų6751.2 Ų51.255%0.55430%0.296SS*.THydrogen-bonded Turntrans-58.7127.4175.900000109.3L395A393-L395 PolarHBondContact O-N 3.01Å; A393-L395 VanDerWaalsContact O-N 3.14Å
394H85.9Confident90.4Very high103 Ų10347 Ų4748%0.47728%0.277SS..THydrogen-bonded Turntrans66.80.8-179.5-51.1-55.3000117R245 Q392 A396 D397 Y398R245-H394 PolarHBondContact NH2-ND1 3.41Å; Q392-H394 PolarHBondContact O-N 2.99Å; H394-A396 VanDerWaalsContact C-N 3.28Å; H394-A396 PolarHBondContact O-N 2.81Å; H394-D397 IonicContact ND1-OD2 3.83Å; H394-D397 WeakPolarHBondContact O-CB 3.5Å; H394-D397 PolarHBondContact O-N 2.87Å; H394-Y398 WeakPolarHBondContact O-CD2 3.46Å
395L94Very high90.6Very high2 Ų246.8 Ų46.81%0.0128%0.276CS..G310 helixtrans-61.2-37.9-175.3-177.159.7000112.4F354 W381 L384 Q385 V388 Q392 A393 D397 Y398F354-L395 HydrophobicContact CE2-CD1 3.8Å; F354-L395 HydrophobicContact CZ-CD1 3.59Å; W381-L395 HydrophobicContact CH2-CB 3.94Å; W381-L395 HydrophobicContact CH2-CD2 4.01Å; W381-L395 HydrophobicContact CH2-CG 4.19Å; W381-L395 HydrophobicContact CZ3-CB 3.88Å; W381-L395 HydrophobicContact CZ3-CD2 3.85Å; W381-L395 HydrophobicContact CZ3-CG 3.77Å; L384-L395 HydrophobicContact CB-CD1 4.42Å; L384-L395 HydrophobicContact CB-CD2 4.11Å; L384-L395 HydrophobicContact CB-CG 4.24Å; Q385-L395 HydrophobicContact CG-CD2 4.41Å; V388-L395 HydrophobicContact CB-CD1 4.48Å; V388-L395 HydrophobicContact CG2-CD1 4.32Å; Q392-L395 WeakPolarHBondContact O-CB 3.47Å; Q392-L395 PolarHBondContact O-N 3.47Å; A393-L395 PolarHBondContact O-N 3.01Å; A393-L395 VanDerWaalsContact O-N 3.14Å; L395-D397 PolarHBondContact O-N 3.16Å; L395-Y398 HydrophobicContact CD1-CD2 4.32Å
396A95.9Very high90.8Very high5 Ų544.5 Ų44.54%0.04127%0.265CS..G310 helixtrans-66.9-19.5177.400000113.3P267 F270 W381 H394P267-A396 HydrophobicContact CG-CB 4.38Å; F270-A396 HydrophobicContact CD1-CB 3.86Å; F270-A396 HydrophobicContact CD2-CB 4.15Å; F270-A396 HydrophobicContact CE1-CB 3.75Å; F270-A396 HydrophobicContact CE2-CB 4.05Å; F270-A396 HydrophobicContact CG-CB 4.06Å; F270-A396 HydrophobicContact CZ-CB 3.85Å; W381-A396 HydrophobicContact CZ3-CB 4.03Å; H394-A396 VanDerWaalsContact C-N 3.28Å; H394-A396 PolarHBondContact O-N 2.81Å
397D96.5Very high91.1Very high32 Ų3240.9 Ų40.917%0.17123%0.234CC..G310 helixtrans-92.8-15.4-171.9-57.6-39.9000113.3L249 W266 H394 L395 C399 A400 G401L249-D397 HydrophobicContact CD1-CB 3.75Å; L249-D397 HydrophobicContact CD2-CB 3.89Å; L249-D397 HydrophobicContact CG-CB 4.5Å; W266-D397 PolarHBondContact NE1-OD1 3Å; H394-D397 IonicContact ND1-OD2 3.83Å; H394-D397 WeakPolarHBondContact O-CB 3.5Å; H394-D397 PolarHBondContact O-N 2.87Å; L395-D397 PolarHBondContact O-N 3.16Å; D397-C399 VanDerWaalsContact C-N 3.28Å; D397-C399 PolarHBondContact O-N 3.1Å; D397-A400 PolarHBondContact O-N 3.2Å; D397-G401 PolarHBondContact O-N 2.89Å
398Y97.5Very high91.5Very high42 Ų4234.8 Ų34.817%0.16521%0.211CC..Hα-helixtrans-62.6-31.9-175.6-81.2-75.9000113.3F354 L376 H394 L395 G401 A402F354-Y398 HydrophobicContact CB-CD1 3.76Å; F354-Y398 HydrophobicContact CB-CE1 3.44Å; F354-Y398 VanDerWaalsContact CB-CE1 3.44Å; F354-Y398 HydrophobicContact CB-CG 4.49Å; F354-Y398 AromaticContact CD1-CD1 3.73Å; F354-Y398 HydrophobicContact CD1-CD1 3.73Å; F354-Y398 HydrophobicContact CD1-CD2 4.14Å; F354-Y398 HydrophobicContact CD1-CE1 4.2Å; F354-Y398 AromaticContact CD1-CG 3.7Å; F354-Y398 HydrophobicContact CD1-CG 3.7Å; F354-Y398 HydrophobicContact CD2-CD1 4.18Å; F354-Y398 AromaticContact CD2-CD2 3.89Å; F354-Y398 HydrophobicContact CD2-CD2 3.89Å; F354-Y398 AromaticContact CD2-CE1 3.88Å; F354-Y398 HydrophobicContact CD2-CE1 3.88Å; F354-Y398 AromaticContact CD2-CE2 3.58Å; F354-Y398 HydrophobicContact CD2-CE2 3.58Å; F354-Y398 HydrophobicContact CD2-CG 4.18Å; F354-Y398 AromaticContact CD2-CZ 3.57Å; F354-Y398 HydrophobicContact CE1-CD1 4.39Å; F354-Y398 HydrophobicContact CE1-CD2 4.06Å; F354-Y398 AromaticContact CE1-CG 3.89Å; F354-Y398 HydrophobicContact CE1-CG 3.89Å; F354-Y398 AromaticContact CE2-CD2 3.78Å; F354-Y398 HydrophobicContact CE2-CD2 3.78Å; F354-Y398 AromaticContact CE2-CE2 3.72Å; F354-Y398 HydrophobicContact CE2-CE2 3.72Å; F354-Y398 HydrophobicContact CE2-CG 4.33Å; F354-Y398 AromaticContact CG-CD1 3.62Å; F354-Y398 HydrophobicContact CG-CD1 3.62Å; F354-Y398 HydrophobicContact CG-CD2 4.07Å; F354-Y398 AromaticContact CG-CE1 3.58Å; F354-Y398 HydrophobicContact CG-CE1 3.58Å; F354-Y398 HydrophobicContact CG-CE2 4.05Å; F354-Y398 AromaticContact CG-CG 3.86Å; F354-Y398 HydrophobicContact CG-CG 3.86Å; F354-Y398 AromaticContact CG-CZ 3.8Å; F354-Y398 AromaticContact CZ-CD2 3.89Å; F354-Y398 HydrophobicContact CZ-CD2 3.89Å; F354-Y398 HydrophobicContact CZ-CE2 4.31Å; F354-Y398 HydrophobicContact CZ-CG 4.21Å; L376-Y398 WeakPolarHBondContact CD2-O 3.45Å; H394-Y398 WeakPolarHBondContact O-CD2 3.46Å; L395-Y398 HydrophobicContact CD1-CD2 4.32Å; Y398-G401 PolarHBondContact O-N 2.91Å; Y398-A402 WeakPolarHBondContact O-CB 3.44Å; Y398-A402 PolarHBondContact O-N 2.98Å
399C98.4Very high92Very high8 Ų834.1 Ų34.15%0.05421%0.207CC..Hα-helixtrans-61.3-52.3174.4157.40000110.9C265 L376 C377 D397 G401 A402 M403C265-C399 VanDerWaalsContact CA-SG 3.59Å; C265-C399 VanDerWaalsContact O-CB 3.26Å; C265-C399 WeakPolarHBondContact O-CB 3.21Å; C265-C399 PolarHBondContact O-SG 2.8Å; L376-C399 HydrophobicContact CG-CB 4.28Å; C377-C399 WeakPolarHBondContact CA-SG 3.32Å; C377-C399 HydrophobicContact CB-CB 4.02Å; C377-C399 WeakPolarHBondContact CB-SG 3.44Å; C377-C399 VanDerWaalsContact SG-CA 3.55Å; C377-C399 WeakPolarHBondContact SG-CB 3.25Å; C377-C399 CovalentContact SG-SG 2.02Å; C377-C399 PolarHBondContact SG-SG 3.31Å; D397-C399 VanDerWaalsContact C-N 3.28Å; D397-C399 PolarHBondContact O-N 3.1Å; C399-G401 VanDerWaalsContact C-N 3.34Å; C399-G401 PolarHBondContact O-N 3.25Å; C399-A402 PolarHBondContact O-N 3.22Å; C399-M403 WeakPolarHBondContact O-CB 3.02Å; C399-M403 PolarHBondContact O-N 3.2Å
400A98.5Very high92.9Very high0 Ų030.1 Ų30.10%018%0.182CC..Hα-helixtrans-60.4-43.8177.100000111.7L249 L252 C265 D397 M403 F404L249-A400 HydrophobicContact CD2-CB 3.65Å; L252-A400 HydrophobicContact CD1-CB 3.88Å; C265-A400 HydrophobicContact CB-CB 3.73Å; D397-A400 PolarHBondContact O-N 3.2Å; A400-M403 PolarHBondContact O-N 3Å; A400-F404 VanDerWaalsContact O-CB 3.3Å; A400-F404 WeakPolarHBondContact O-CB 3.4Å; A400-F404 PolarHBondContact O-N 3.13Å
401G98.2Very high94Very high11 Ų1131.1 Ų31.111%0.11316%0.16CC..Hα-helixtrans-62.4-45.717800000113.4D397 Y398 C399 F404 V405D397-G401 PolarHBondContact O-N 2.89Å; Y398-G401 PolarHBondContact O-N 2.91Å; C399-G401 VanDerWaalsContact C-N 3.34Å; C399-G401 PolarHBondContact O-N 3.25Å; G401-F404 PolarHBondContact O-N 3.33Å; G401-V405 WeakPolarHBondContact O-CG2 3.49Å; G401-V405 PolarHBondContact O-N 3.28Å
402A98.6Very high95.4Very high0 Ų025.7 Ų25.70%013%0.134CC..Hα-helixtrans-64.9-43.5177.900000111.9T351 L355 A373 L376 Y398 C399 F404 V405 Q406T351-A402 HydrophobicContact CG2-CB 3.95Å; L355-A402 HydrophobicContact CD1-CB 4.05Å; L355-A402 HydrophobicContact CD2-CB 4.34Å; A373-A402 HydrophobicContact CB-CB 3.91Å; L376-A402 HydrophobicContact CD2-CB 4.17Å; Y398-A402 WeakPolarHBondContact O-CB 3.44Å; Y398-A402 PolarHBondContact O-N 2.98Å; C399-A402 PolarHBondContact O-N 3.22Å; A402-F404 VanDerWaalsContact C-N 3.32Å; A402-F404 PolarHBondContact O-N 3.06Å; A402-V405 PolarHBondContact O-N 3.03Å; A402-Q406 WeakPolarHBondContact O-CB 3.47Å; A402-Q406 PolarHBondContact O-N 3.43Å
403M98.8Very high96.4Very high0 Ų020.4 Ų20.40%011%0.11CC..Hα-helixtrans-62.3-41.7176-16769.271.100111.2R311 V314 V374 C399 A400 Q407R311-M403 HydrophobicContact CB-CE 4.1Å; R311-M403 HydrophobicContact CB-CG 4.4Å; R311-M403 HydrophobicContact CB-SD 3.75Å; R311-M403 HydrophobicContact CG-SD 3.93Å; V314-M403 HydrophobicContact CB-CG 4.05Å; V314-M403 HydrophobicContact CG1-CG 4.29Å; V314-M403 HydrophobicContact CG2-CB 4.1Å; V314-M403 HydrophobicContact CG2-CG 3.86Å; V374-M403 HydrophobicContact CG2-CE 4.48Å; C399-M403 WeakPolarHBondContact O-CB 3.02Å; C399-M403 PolarHBondContact O-N 3.2Å; A400-M403 PolarHBondContact O-N 3Å; M403-Q407 PolarHBondContact O-N 2.84Å; M403-Q407 VanDerWaalsContact O-N 3.08Å
404F98.8Very high97.2Very high3 Ų319.5 Ų19.51%0.01311%0.107CC..Hα-helixtrans-64.1-48.6175.3174.4-109.2000112.4L202 Y243 V248 V314 L317 F318 A400 G401 A402 Q406 Q407 L408L202-F404 HydrophobicContact CD1-CE1 3.89Å; L202-F404 HydrophobicContact CD2-CE1 4.38Å; Y243-F404 HydrophobicContact CD1-CE2 4.1Å; Y243-F404 HydrophobicContact CD1-CZ 4.24Å; Y243-F404 WeakPolarHBondContact O-CZ 3.44Å; V248-F404 HydrophobicContact CG1-CB 4.17Å; V248-F404 HydrophobicContact CG1-CD1 4.22Å; V248-F404 HydrophobicContact CG1-CD2 3.84Å; V248-F404 HydrophobicContact CG1-CE2 4.29Å; V248-F404 HydrophobicContact CG1-CG 3.8Å; V248-F404 HydrophobicContact CG2-CD1 4.33Å; V248-F404 HydrophobicContact CG2-CD2 4.14Å; V248-F404 HydrophobicContact CG2-CE1 3.95Å; V248-F404 HydrophobicContact CG2-CE2 3.74Å; V248-F404 HydrophobicContact CG2-CG 4.42Å; V248-F404 HydrophobicContact CG2-CZ 3.63Å; V314-F404 HydrophobicContact CG1-CB 4.26Å; V314-F404 HydrophobicContact CG1-CD2 4.44Å; L317-F404 HydrophobicContact CD1-CD2 3.89Å; L317-F404 HydrophobicContact CD1-CE2 4.25Å; F318-F404 HydrophobicContact CE1-CE2 4.21Å; F318-F404 HydrophobicContact CE2-CD2 4.38Å; F318-F404 HydrophobicContact CE2-CE2 4.42Å; F318-F404 AromaticContact CZ-CD2 3.89Å; F318-F404 HydrophobicContact CZ-CD2 3.89Å; F318-F404 AromaticContact CZ-CE2 3.6Å; F318-F404 HydrophobicContact CZ-CE2 3.6Å; A400-F404 VanDerWaalsContact O-CB 3.3Å; A400-F404 WeakPolarHBondContact O-CB 3.4Å; A400-F404 PolarHBondContact O-N 3.13Å; G401-F404 PolarHBondContact O-N 3.33Å; A402-F404 VanDerWaalsContact C-N 3.32Å; A402-F404 PolarHBondContact O-N 3.06Å; F404-Q406 VanDerWaalsContact C-N 3.3Å; F404-Q406 PolarHBondContact O-N 2.71Å; F404-Q407 PolarHBondContact O-N 2.95Å; F404-L408 HydrophobicContact CE1-CD2 3.85Å; F404-L408 HydrophobicContact CE2-CB 4.41Å; F404-L408 HydrophobicContact CZ-CB 4.3Å; F404-L408 HydrophobicContact CZ-CD1 4.42Å; F404-L408 HydrophobicContact CZ-CD2 3.82Å; F404-L408 HydrophobicContact CZ-CG 4.42Å; F404-L408 WeakPolarHBondContact O-CB 3.2Å; F404-L408 PolarHBondContact O-N 3.37Å
405V98.7Very high97.8Very high1 Ų114.9 Ų14.91%0.0069%0.086CC..Hα-helixtrans-57.7-44.6177.7164.90000110.8L202 F348 T351 L369 G401 A402 L408 L409L202-V405 HydrophobicContact CD2-CG2 3.88Å; F348-V405 HydrophobicContact CD1-CB 4.4Å; F348-V405 HydrophobicContact CD1-CG1 3.76Å; F348-V405 HydrophobicContact CD1-CG2 3.86Å; F348-V405 HydrophobicContact CE1-CG1 4.05Å; F348-V405 HydrophobicContact CE1-CG2 4.13Å; T351-V405 HydrophobicContact CG2-CG2 4.28Å; L369-V405 HydrophobicContact CD2-CG1 4.38Å; G401-V405 WeakPolarHBondContact O-CG2 3.49Å; G401-V405 PolarHBondContact O-N 3.28Å; A402-V405 PolarHBondContact O-N 3.03Å; V405-L408 PolarHBondContact O-N 3.24Å; V405-L409 HydrophobicContact CG1-CD1 4.03Å; V405-L409 VanDerWaalsContact O-CG 3.29Å; V405-L409 WeakPolarHBondContact O-CG 3.16Å; V405-L409 PolarHBondContact O-N 2.95Å
406Q98.5Very high97.9Very high13 Ų1319.3 Ų19.36%0.06111%0.109CC..Hα-helixtrans-61.7-48.3178.8-171.4-79.8-26.100112L369 E370 A402 F404 S410L369-Q406 HydrophobicContact CD2-CB 4.19Å; L369-Q406 HydrophobicContact CD2-CG 4.33Å; L369-Q406 HydrophobicContact CG-CB 4.08Å; L369-Q406 HydrophobicContact CG-CG 4.11Å; E370-Q406 HydrophobicContact CB-CG 3.92Å; A402-Q406 WeakPolarHBondContact O-CB 3.47Å; A402-Q406 PolarHBondContact O-N 3.43Å; F404-Q406 VanDerWaalsContact C-N 3.3Å; F404-Q406 PolarHBondContact O-N 2.71Å; Q406-S410 PolarHBondContact NE2-OG 3.41Å; Q406-S410 WeakPolarHBondContact O-CB 3.28Å; Q406-S410 PolarHBondContact O-N 3.14Å; Q406-S410 PolarHBondContact O-OG 3.29Å
407Q98.8Very high98Very high3 Ų322.8 Ų22.81%0.01413%0.125CC..Hα-helixtrans-71.9-34.3-179.7-71.5-160.950.700112.8R311 V314 F318 M403 F404 R411 G412R311-Q407 VanDerWaalsContact CG-NE2 3.33Å; R311-Q407 PolarHBondContact O-NE2 3.1Å; V314-Q407 HydrophobicContact CG1-CB 4.18Å; V314-Q407 HydrophobicContact CG1-CG 4.27Å; F318-Q407 HydrophobicContact CE2-CB 3.89Å; F318-Q407 HydrophobicContact CZ-CB 4.4Å; M403-Q407 PolarHBondContact O-N 2.84Å; M403-Q407 VanDerWaalsContact O-N 3.08Å; F404-Q407 PolarHBondContact O-N 2.95Å; Q407-R411 WeakPolarHBondContact O-CA 3.37Å; Q407-R411 VanDerWaalsContact O-CB 3.31Å; Q407-R411 WeakPolarHBondContact O-CB 3.32Å; Q407-R411 PolarHBondContact O-N 2.49Å; Q407-G412 PolarHBondContact O-N 2.77Å
408L98.8Very high97.9Very high0 Ų031.4 Ų31.40%016%0.155CC..Iπ-helixtrans-61.4-46.5174.9178.963.4000110.7T207 F318 F330 F348 F404 V405 G412 Y413T207-L408 HydrophobicContact CG2-CD2 4.08Å; F318-L408 HydrophobicContact CE1-CB 4.45Å; F318-L408 HydrophobicContact CE1-CD1 3.88Å; F318-L408 HydrophobicContact CZ-CB 4.16Å; F318-L408 HydrophobicContact CZ-CD1 4.39Å; F330-L408 HydrophobicContact CE1-CD1 3.82Å; F330-L408 HydrophobicContact CZ-CD1 4.15Å; F348-L408 HydrophobicContact CE1-CD2 4.06Å; F348-L408 HydrophobicContact CZ-CD2 3.69Å; F404-L408 HydrophobicContact CE1-CD2 3.85Å; F404-L408 HydrophobicContact CE2-CB 4.41Å; F404-L408 HydrophobicContact CZ-CB 4.3Å; F404-L408 HydrophobicContact CZ-CD1 4.42Å; F404-L408 HydrophobicContact CZ-CD2 3.82Å; F404-L408 HydrophobicContact CZ-CG 4.42Å; F404-L408 WeakPolarHBondContact O-CB 3.2Å; F404-L408 PolarHBondContact O-N 3.37Å; V405-L408 PolarHBondContact O-N 3.24Å; L408-G412 CarbonylContact O-C 3.58Å; L408-G412 WeakPolarHBondContact O-CA 3.35Å; L408-G412 PolarHBondContact O-N 2.98Å; L408-G412 VanDerWaalsContact O-N 3.16Å; L408-Y413 HydrophobicContact CD1-CD1 4.23Å; L408-Y413 HydrophobicContact CD1-CE1 3.74Å; L408-Y413 HydrophobicContact CD1-CE2 4.19Å; L408-Y413 HydrophobicContact CD2-CE2 4.06Å; L408-Y413 HydrophobicContact CG-CD2 4.26Å; L408-Y413 HydrophobicContact CG-CE1 4.32Å; L408-Y413 HydrophobicContact CG-CE2 3.84Å; L408-Y413 PolarHBondContact O-N 3.4Å
409L98.6Very high97.8Very high0 Ų030.4 Ų30.40%016%0.155CC..Iπ-helixtrans-69.8-49.9-179.9-65.7178.3000112M200 F348 L366 L369 V405 Y413 G414 F415 F420 F425M200-L409 HydrophobicContact CE-CD2 3.64Å; M200-L409 HydrophobicContact SD-CD2 3.56Å; M200-L409 VanDerWaalsContact SD-CD2 3.56Å; F348-L409 HydrophobicContact CE1-CD2 4.06Å; F348-L409 HydrophobicContact CE1-CG 4.28Å; F348-L409 HydrophobicContact CZ-CD2 4.41Å; L366-L409 HydrophobicContact CD2-CB 4.37Å; L369-L409 HydrophobicContact CD2-CD1 4.28Å; V405-L409 HydrophobicContact CG1-CD1 4.03Å; V405-L409 VanDerWaalsContact O-CG 3.29Å; V405-L409 WeakPolarHBondContact O-CG 3.16Å; V405-L409 PolarHBondContact O-N 2.95Å; L409-Y413 HydrophobicContact CD2-CD2 3.96Å; L409-Y413 HydrophobicContact CD2-CE2 4.41Å; L409-G414 PolarHBondContact O-N 3.16Å; L409-F415 HydrophobicContact CD2-CD2 4.4Å; L409-F415 HydrophobicContact CD2-CE2 4.44Å; L409-F415 WeakPolarHBondContact O-CB 3.46Å; L409-F415 PolarHBondContact O-N 2.69Å; L409-F420 HydrophobicContact CD1-CD2 4.45Å; L409-F420 HydrophobicContact CD1-CE2 3.85Å; L409-F425 HydrophobicContact CD1-CE1 4.42Å; L409-F425 HydrophobicContact CD1-CZ 3.99Å
410S97.9Very high97.8Very high29 Ų2930.3 Ų30.320%0.20315%0.154CC..Iπ-helixtrans-74.8-51.3-174.7580000113.1Q406 G414Q406-S410 PolarHBondContact NE2-OG 3.41Å; Q406-S410 WeakPolarHBondContact O-CB 3.28Å; Q406-S410 PolarHBondContact O-N 3.14Å; Q406-S410 PolarHBondContact O-OG 3.29Å; S410-G414 WeakPolarHBondContact O-CA 3.36Å
411R96.9Very high97.6Very high105 Ų10534.9 Ų34.940%0.39619%0.186SC..Iπ-helixtrans-94.8-41.3-174.1-5817864.2-169.52.4112.5S315 F320 Q407S315-R411 VanDerWaalsContact CB-NH1 3.25Å; S315-R411 PolarHBondContact OG-NH1 3.44Å; S315-R411 PolarHBondContact OG-NH2 3.48Å; F320-R411 VanDerWaalsContact CE1-O 3.28Å; F320-R411 WeakPolarHBondContact CE1-O 3.04Å; F320-R411 HydrophobicContact CZ-CB 3.93Å; F320-R411 WeakPolarHBondContact CZ-O 3.11Å; Q407-R411 WeakPolarHBondContact O-CA 3.37Å; Q407-R411 VanDerWaalsContact O-CB 3.31Å; Q407-R411 WeakPolarHBondContact O-CB 3.32Å; Q407-R411 PolarHBondContact O-N 2.49Å
412G97.8Very high97.4Very high1 Ų134.9 Ų34.91%0.0119%0.186CC..Iπ-helixtrans-70.8-60.7-177.300000112.1S329 Q407 L408S329-G412 CarbonylContact C-O 3.45Å; S329-G412 WeakPolarHBondContact CA-O 3.37Å; S329-G412 WeakPolarHBondContact CB-O 3.49Å; Q407-G412 PolarHBondContact O-N 2.77Å; L408-G412 CarbonylContact O-C 3.58Å; L408-G412 WeakPolarHBondContact O-CA 3.35Å; L408-G412 PolarHBondContact O-N 2.98Å; L408-G412 VanDerWaalsContact O-N 3.16Å
413Y98.2Very high97.3Very high3 Ų335.6 Ų35.61%0.01219%0.19CC..SBendtrans-87.3-13-178.4-61.7-22.8000113.4M200 T207 I209 F240 F330 Q335 F348 L408 L409 F415M200-Y413 HydrophobicContact CG-CE2 4.36Å; M200-Y413 HydrophobicContact SD-CD2 3.7Å; M200-Y413 HydrophobicContact SD-CE2 3.84Å; T207-Y413 WeakPolarHBondContact CG2-OH 3.37Å; T207-Y413 PolarHBondContact OG1-OH 3.14Å; I209-Y413 HydrophobicContact CB-CE1 4.16Å; I209-Y413 HydrophobicContact CB-CE2 4.19Å; I209-Y413 HydrophobicContact CD1-CD1 4.09Å; I209-Y413 HydrophobicContact CD1-CD2 3.84Å; I209-Y413 HydrophobicContact CD1-CE1 4.5Å; I209-Y413 HydrophobicContact CD1-CE2 4.25Å; I209-Y413 HydrophobicContact CD1-CG 3.75Å; I209-Y413 HydrophobicContact CG2-CD1 4.22Å; I209-Y413 HydrophobicContact CG2-CE1 3.79Å; F240-Y413 HydrophobicContact CD2-CE1 4.09Å; F240-Y413 AromaticContact CE2-CE1 3.72Å; F240-Y413 HydrophobicContact CE2-CE1 3.72Å; F330-Y413 HydrophobicContact CE1-CE1 4.28Å; Q335-Y413 PolarHBondContact NE2-O 3.22Å; F348-Y413 HydrophobicContact CZ-CE2 4.34Å; L408-Y413 HydrophobicContact CD1-CD1 4.23Å; L408-Y413 HydrophobicContact CD1-CE1 3.74Å; L408-Y413 HydrophobicContact CD1-CE2 4.19Å; L408-Y413 HydrophobicContact CD2-CE2 4.06Å; L408-Y413 HydrophobicContact CG-CD2 4.26Å; L408-Y413 HydrophobicContact CG-CE1 4.32Å; L408-Y413 HydrophobicContact CG-CE2 3.84Å; L408-Y413 PolarHBondContact O-N 3.4Å; L409-Y413 HydrophobicContact CD2-CD2 3.96Å; L409-Y413 HydrophobicContact CD2-CE2 4.41Å; Y413-F415 HydrophobicContact CD2-CE2 4.24Å
414G96.6Very high97.1Very high48 Ų4839.1 Ų39.150%0.49521%0.208SC..  trans73.931.8175.200000114.1L409 S410L409-G414 PolarHBondContact O-N 3.16Å; S410-G414 WeakPolarHBondContact O-CA 3.36Å
415F97.9Very high96.9Very high7 Ų739.6 Ų39.63%0.03121%0.21CC..  trans-68130.4168.9-77.5-96.8000110M200 I209 V338 F342 L366 L409 Y413 A419 V423M200-F415 HydrophobicContact CE-CE2 4.27Å; M200-F415 HydrophobicContact CE-CZ 4.09Å; M200-F415 HydrophobicContact SD-CE2 3.68Å; M200-F415 HydrophobicContact SD-CZ 3.91Å; I209-F415 HydrophobicContact CD1-CE2 4.42Å; V338-F415 HydrophobicContact CB-CE1 4.26Å; V338-F415 HydrophobicContact CB-CE2 4.38Å; V338-F415 HydrophobicContact CB-CZ 4.1Å; V338-F415 HydrophobicContact CG1-CD2 4.3Å; V338-F415 HydrophobicContact CG1-CE2 3.82Å; V338-F415 HydrophobicContact CG1-CZ 3.97Å; V338-F415 HydrophobicContact CG2-CD1 4.12Å; V338-F415 HydrophobicContact CG2-CD2 4.48Å; V338-F415 HydrophobicContact CG2-CE1 4.18Å; V338-F415 HydrophobicContact CG2-CG 4.28Å; V338-F415 HydrophobicContact CG2-CZ 4.39Å; F342-F415 HydrophobicContact CD1-CZ 4.08Å; F342-F415 AromaticContact CD2-CE1 3.78Å; F342-F415 HydrophobicContact CD2-CE1 3.78Å; F342-F415 AromaticContact CD2-CZ 3.75Å; F342-F415 HydrophobicContact CD2-CZ 3.75Å; F342-F415 HydrophobicContact CE1-CZ 4.16Å; F342-F415 HydrophobicContact CE2-CE1 4.03Å; F342-F415 AromaticContact CE2-CZ 3.86Å; F342-F415 HydrophobicContact CE2-CZ 3.86Å; F342-F415 HydrophobicContact CG-CE1 4.24Å; F342-F415 AromaticContact CG-CZ 3.88Å; F342-F415 HydrophobicContact CG-CZ 3.88Å; F342-F415 HydrophobicContact CZ-CZ 4.06Å; L366-F415 HydrophobicContact CD1-CB 4.36Å; L366-F415 WeakPolarHBondContact CD1-O 3.49Å; L409-F415 HydrophobicContact CD2-CD2 4.4Å; L409-F415 HydrophobicContact CD2-CE2 4.44Å; L409-F415 WeakPolarHBondContact O-CB 3.46Å; L409-F415 PolarHBondContact O-N 2.69Å; Y413-F415 HydrophobicContact CD2-CE2 4.24Å; F415-A419 HydrophobicContact CD1-CB 3.69Å; F415-A419 HydrophobicContact CE1-CB 4.32Å; F415-V423 HydrophobicContact CD1-CG2 3.91Å; F415-V423 HydrophobicContact CE1-CG2 3.57Å; F415-V423 HydrophobicContact CZ-CG2 4.25Å
416D96.9Very high96.5Very high94 Ų9443.7 Ų43.750%0.50323%0.229SC..  trans-95.5176.3162.567.714.1000110.4R418 A419 F420D416-R418 PolarHBondContact O-N 3.38Å; D416-R418 WeakPolarHBondContact OD1-CB 3.35Å; D416-R418 PolarHBondContact OD1-N 2.98Å; D416-R418 VanDerWaalsContact OD1-N 3.09Å; D416-A419 PolarHBondContact O-N 2.83Å; D416-A419 WeakPolarHBondContact OD1-CB 3.49Å; D416-A419 PolarHBondContact OD1-N 3.23Å; D416-F420 VanDerWaalsContact O-CB 3.24Å; D416-F420 WeakPolarHBondContact O-CB 3.48Å; D416-F420 PolarHBondContact O-N 3.37Å
417E96.7Very high95.7Very high79 Ų7947.8 Ų47.837%0.36925%0.247SC..Hα-helixtrans-59.8-31.7-179.2-70-68.7-171.700112.8T365 L366 Q367 S421T365-E417 WeakPolarHBondContact CA-OE2 3.38Å; T365-E417 VanDerWaalsContact CB-OE2 3.23Å; T365-E417 WeakPolarHBondContact CB-OE2 3.37Å; L366-E417 PolarHBondContact N-OE1 3.29Å; L366-E417 PolarHBondContact N-OE2 3.2Å; Q367-E417 PolarHBondContact N-OE1 2.95Å; E417-S421 PolarHBondContact O-N 3.41Å; E417-S421 VanDerWaalsContact O-N 3.17Å
418R95.6Very high94.7Very high212 Ų21252.5 Ų52.580%0.827%0.267SS*.Hα-helixtrans-70.1-49.8179.1-177-178.4178.6-177.2-0.2110.6D416 F420 S421D416-R418 PolarHBondContact O-N 3.38Å; D416-R418 WeakPolarHBondContact OD1-CB 3.35Å; D416-R418 PolarHBondContact OD1-N 2.98Å; D416-R418 VanDerWaalsContact OD1-N 3.09Å; R418-F420 VanDerWaalsContact C-N 3.34Å; R418-S421 PolarHBondContact O-N 3.24Å; R418-S421 PolarHBondContact O-OG 2.8Å
419A95.3Very high93.6Very high22 Ų2252.7 Ų52.718%0.18227%0.269CS..Hα-helixtrans-65.6-39.2177.600000111.3V338 F415 D416 S421 G422V338-A419 HydrophobicContact CG2-CB 3.96Å; F415-A419 HydrophobicContact CD1-CB 3.69Å; F415-A419 HydrophobicContact CE1-CB 4.32Å; D416-A419 PolarHBondContact O-N 2.83Å; D416-A419 WeakPolarHBondContact OD1-CB 3.49Å; D416-A419 PolarHBondContact OD1-N 3.23Å; A419-S421 VanDerWaalsContact C-N 3.26Å; A419-S421 PolarHBondContact O-N 3.14Å; A419-G422 PolarHBondContact O-N 3.43Å; A419-G422 VanDerWaalsContact O-N 3.11Å
420F97.4Very high92.2Very high6 Ų656.2 Ų56.23%0.02630%0.298CS..Hα-helixtrans-64-30.2179.5-174.2-104.3000112.9T365 L366 L369 L409 D416 R418 G422 V423 F425T365-F420 VanDerWaalsContact C-CE1 3.43Å; L366-F420 HydrophobicContact CD1-CB 4.04Å; L366-F420 HydrophobicContact CD1-CG 4.4Å; L366-F420 HydrophobicContact CD2-CB 4.19Å; L366-F420 HydrophobicContact CD2-CD1 4.23Å; L366-F420 HydrophobicContact CD2-CD2 3.45Å; L366-F420 VanDerWaalsContact CD2-CD2 3.45Å; L366-F420 HydrophobicContact CD2-CE2 3.79Å; L366-F420 HydrophobicContact CD2-CG 3.69Å; L366-F420 HydrophobicContact CD2-CZ 4.3Å; L366-F420 HydrophobicContact CG-CB 3.74Å; L366-F420 HydrophobicContact CG-CD1 3.96Å; L366-F420 HydrophobicContact CG-CD2 3.93Å; L366-F420 HydrophobicContact CG-CG 3.6Å; L369-F420 HydrophobicContact CD2-CE2 4.39Å; L369-F420 HydrophobicContact CD2-CZ 4.21Å; L409-F420 HydrophobicContact CD1-CD2 4.45Å; L409-F420 HydrophobicContact CD1-CE2 3.85Å; D416-F420 VanDerWaalsContact O-CB 3.24Å; D416-F420 WeakPolarHBondContact O-CB 3.48Å; D416-F420 PolarHBondContact O-N 3.37Å; R418-F420 VanDerWaalsContact C-N 3.34Å; F420-G422 PolarHBondContact O-N 3.26Å; F420-G422 VanDerWaalsContact O-N 3.1Å; F420-V423 HydrophobicContact CD2-CB 4.22Å; F420-V423 HydrophobicContact CD2-CG2 4.02Å; F420-V423 HydrophobicContact CE2-CB 4.41Å; F420-V423 VanDerWaalsContact O-CB 3.32Å; F420-V423 WeakPolarHBondContact O-CB 3.33Å; F420-V423 PolarHBondContact O-N 3.27Å; F420-F425 HydrophobicContact CE2-CE2 4.07Å; F420-F425 AromaticContact CE2-CZ 4Å; F420-F425 HydrophobicContact CE2-CZ 4Å; F420-F425 AromaticContact CZ-CE2 3.92Å; F420-F425 HydrophobicContact CZ-CE2 3.92Å; F420-F425 HydrophobicContact CZ-CZ 4.2Å
421S95Very high90.8Very high95 Ų9561.8 Ų61.866%0.66433%0.325SS*.THydrogen-bonded Turntrans-59.2-22.1174.575.80000114E417 R418 A419E417-S421 PolarHBondContact O-N 3.41Å; E417-S421 VanDerWaalsContact O-N 3.17Å; R418-S421 PolarHBondContact O-N 3.24Å; R418-S421 PolarHBondContact O-OG 2.8Å; A419-S421 VanDerWaalsContact C-N 3.26Å; A419-S421 PolarHBondContact O-N 3.14Å
422G93.8Very high89.7Confident11 Ų1157.4 Ų57.411%0.11331%0.311CS..THydrogen-bonded Turntrans-87.90.2174.300000114.5N341 F342 A419 F420N341-G422 CarbonylContact C-O 3.59Å; N341-G422 VanDerWaalsContact CA-O 3.3Å; N341-G422 WeakPolarHBondContact CA-O 3.32Å; N341-G422 WeakPolarHBondContact CB-O 3.36Å; F342-G422 PolarHBondContact N-O 3.12Å; A419-G422 PolarHBondContact O-N 3.43Å; A419-G422 VanDerWaalsContact O-N 3.11Å; F420-G422 PolarHBondContact O-N 3.26Å; F420-G422 VanDerWaalsContact O-N 3.1Å
423V96.6Very high88.6Confident15 Ų1559 Ų599%0.09132%0.324CS..EExtended strand (participates in β ladder)trans-89.7123.3-178.6-177.40000110.3M200 F342 A344 F415 F420 F425M200-V423 HydrophobicContact CE-CG1 3.83Å; M200-V423 HydrophobicContact CE-CG2 4.29Å; F342-V423 HydrophobicContact CB-CG2 4.17Å; F342-V423 CarbonylContact O-C 3.47Å; F342-V423 WeakPolarHBondContact O-CA 3.27Å; A344-V423 HydrophobicContact CB-CG1 4.17Å; F415-V423 HydrophobicContact CD1-CG2 3.91Å; F415-V423 HydrophobicContact CE1-CG2 3.57Å; F415-V423 HydrophobicContact CZ-CG2 4.25Å; F420-V423 HydrophobicContact CD2-CB 4.22Å; F420-V423 HydrophobicContact CD2-CG2 4.02Å; F420-V423 HydrophobicContact CE2-CB 4.41Å; F420-V423 VanDerWaalsContact O-CB 3.32Å; F420-V423 WeakPolarHBondContact O-CB 3.33Å; F420-V423 PolarHBondContact O-N 3.27Å; V423-F425 HydrophobicContact CG1-CD2 4.45Å; V423-F425 HydrophobicContact CG1-CE1 4.49Å; V423-F425 HydrophobicContact CG1-CE2 3.92Å; V423-F425 HydrophobicContact CG1-CZ 3.94Å
424I95Very high87.8Confident74 Ų7459.5 Ų59.538%0.37933%0.327SS..EExtended strand (participates in β ladder)trans-110.4134.917261.5170.8000110.2L197 F342 I343 A344L197-I424 HydrophobicContact CD2-CD1 4.08Å; L197-I424 HydrophobicContact CD2-CG1 4.46Å; F342-I424 WeakPolarHBondContact O-CG1 3.4Å; F342-I424 PolarHBondContact O-N 2.94Å; I343-I424 CarbonylContact C-O 3.12Å; I343-I424 WeakPolarHBondContact CA-O 3.47Å; I343-I424 HydrophobicContact CB-CD1 4.36Å; I343-I424 HydrophobicContact CB-CG1 4.04Å; I343-I424 HydrophobicContact CG1-CD1 4.39Å; I343-I424 HydrophobicContact CG1-CG1 4.18Å; A344-I424 PolarHBondContact N-O 2.9Å
425F94.9Very high87.2Confident14 Ų1458 Ų586%0.06131%0.312CS..EExtended strand (participates in β ladder)trans-99.9114.9176.6-65.8-88.3000109.2A344 F348 V352 L409 F420 V423A344-F425 HydrophobicContact CB-CD1 3.62Å; A344-F425 HydrophobicContact CB-CE1 3.71Å; A344-F425 HydrophobicContact CB-CG 4.39Å; A344-F425 WeakPolarHBondContact O-CA 3.31Å; F348-F425 HydrophobicContact CB-CD1 4Å; F348-F425 HydrophobicContact CB-CE1 4.09Å; F348-F425 HydrophobicContact CD1-CE1 4.38Å; V352-F425 HydrophobicContact CB-CB 4.37Å; V352-F425 HydrophobicContact CB-CD1 4Å; V352-F425 HydrophobicContact CB-CD2 4.46Å; V352-F425 HydrophobicContact CB-CE1 4.43Å; V352-F425 HydrophobicContact CB-CG 4.02Å; V352-F425 HydrophobicContact CG1-CB 4.14Å; V352-F425 HydrophobicContact CG1-CD1 4.31Å; V352-F425 HydrophobicContact CG1-CD2 3.89Å; V352-F425 HydrophobicContact CG1-CE2 4.38Å; V352-F425 HydrophobicContact CG1-CG 3.84Å; V352-F425 HydrophobicContact CG2-CD1 3.63Å; V352-F425 HydrophobicContact CG2-CD2 4.32Å; V352-F425 HydrophobicContact CG2-CE1 3.57Å; V352-F425 HydrophobicContact CG2-CE2 4.26Å; V352-F425 HydrophobicContact CG2-CG 4.02Å; V352-F425 HydrophobicContact CG2-CZ 3.89Å; L409-F425 HydrophobicContact CD1-CE1 4.42Å; L409-F425 HydrophobicContact CD1-CZ 3.99Å; F420-F425 HydrophobicContact CE2-CE2 4.07Å; F420-F425 AromaticContact CE2-CZ 4Å; F420-F425 HydrophobicContact CE2-CZ 4Å; F420-F425 AromaticContact CZ-CE2 3.92Å; F420-F425 HydrophobicContact CZ-CE2 3.92Å; F420-F425 HydrophobicContact CZ-CZ 4.2Å; V423-F425 HydrophobicContact CG1-CD2 4.45Å; V423-F425 HydrophobicContact CG1-CE1 4.49Å; V423-F425 HydrophobicContact CG1-CE2 3.92Å; V423-F425 HydrophobicContact CG1-CZ 3.94Å
426Q89.5Confident86.9Confident86 Ų8657.9 Ų57.940%0.40231%0.311SS..  trans-151.2133.9-169.5-168.5113.16.900111.3I343 A344 F345 K428I343-Q426 HydrophobicContact CD1-CB 4.05Å; I343-Q426 HydrophobicContact CG1-CB 4.17Å; A344-Q426 PolarHBondContact O-N 2.94Å; F345-Q426 WeakPolarHBondContact CA-O 3.5Å; F345-Q426 WeakPolarHBondContact CB-O 3.4Å; Q426-K428 WeakPolarHBondContact CG-O 3.46Å; Q426-K428 PolarHBondContact NE2-O 3.06Å
427K81.6Confident86.7Confident100 Ų10053.5 Ų53.544%0.43529%0.288SS..SBendtrans-90.6-22.5173.960.5170.1177.4-170.20115F349 V434F349-K427 HydrophobicContact CD1-CB 3.61Å; F349-K427 HydrophobicContact CD1-CD 4.09Å; F349-K427 HydrophobicContact CD1-CG 3.95Å; F349-K427 HydrophobicContact CD2-CB 4.33Å; F349-K427 HydrophobicContact CD2-CG 4.49Å; F349-K427 HydrophobicContact CE1-CB 3.88Å; F349-K427 HydrophobicContact CE1-CD 3.52Å; F349-K427 HydrophobicContact CE1-CG 3.65Å; F349-K427 HydrophobicContact CE2-CG 4.21Å; F349-K427 HydrophobicContact CG-CB 3.87Å; F349-K427 HydrophobicContact CG-CG 4.37Å; F349-K427 HydrophobicContact CZ-CB 4.33Å; F349-K427 HydrophobicContact CZ-CD 3.94Å; F349-K427 HydrophobicContact CZ-CG 3.79Å; K427-V434 PolarHBondContact O-N 3.32Å
428K78.6Confident86.4Confident101 Ų10149.8 Ų49.844%0.43927%0.27SS..EExtended strand (participates in β ladder)trans-138.9141.4-174.5-72-173.5175.8-163.40111.3Q426 T432Q426-K428 WeakPolarHBondContact CG-O 3.46Å; Q426-K428 PolarHBondContact NE2-O 3.06Å; K428-T432 CarbonylContact C-O 3.48Å; K428-T432 VanDerWaalsContact CA-O 3.22Å; K428-T432 WeakPolarHBondContact CA-O 3.49Å; K428-T432 WeakPolarHBondContact CB-O 3.28Å
429A74.1Confident86.2Confident4 Ų439.7 Ų39.73%0.03323%0.232CC..EExtended strand (participates in β ladder)trans-126.6131.8168.400000108.4L176 L177 D431 T432 V434L176-A429 HydrophobicContact CB-CB 3.57Å; L176-A429 HydrophobicContact CD1-CB 4.05Å; L176-A429 HydrophobicContact CG-CB 4.45Å; L177-A429 HydrophobicContact CD2-CB 4.03Å; L177-A429 HydrophobicContact CG-CB 4.33Å; A429-D431 VanDerWaalsContact C-N 3.28Å; A429-D431 PolarHBondContact O-N 2.83Å; A429-T432 PolarHBondContact N-O 3.38Å; A429-T432 WeakPolarHBondContact O-CB 2.97Å; A429-T432 PolarHBondContact O-N 2.87Å; A429-V434 HydrophobicContact CB-CG2 3.94Å
430A69.1Low86Confident74 Ų7439 Ų3961%0.61223%0.225SC*.THydrogen-bonded Turntrans47.848.5-174.200000113.1T432A430-T432 PolarHBondContact O-N 3.19Å; A430-T432 PolarHBondContact O-OG1 3.15Å
431D69.9Low85.7Confident146 Ų14638.7 Ų38.778%0.78122%0.224SC*.THydrogen-bonded Turntrans58.81.9-176.7-62.2-48.8000116.9A429A429-D431 VanDerWaalsContact C-N 3.28Å; A429-D431 PolarHBondContact O-N 2.83Å
432T73.8Confident85.3Confident14 Ų1434.3 Ų34.39%0.08619%0.193CC..EExtended strand (participates in β ladder)trans-96.9140.5178.7-59.20000110Q71 L176 K428 A429 A430 V434 L438Q71-T432 HydrophobicContact CB-CG2 3.87Å; L176-T432 HydrophobicContact CD1-CG2 3.77Å; L176-T432 HydrophobicContact CD2-CG2 3.8Å; L176-T432 HydrophobicContact CG-CG2 4.42Å; K428-T432 CarbonylContact C-O 3.48Å; K428-T432 VanDerWaalsContact CA-O 3.22Å; K428-T432 WeakPolarHBondContact CA-O 3.49Å; K428-T432 WeakPolarHBondContact CB-O 3.28Å; A429-T432 PolarHBondContact N-O 3.38Å; A429-T432 WeakPolarHBondContact O-CB 2.97Å; A429-T432 PolarHBondContact O-N 2.87Å; A430-T432 PolarHBondContact O-N 3.19Å; A430-T432 PolarHBondContact O-OG1 3.15Å; T432-V434 PolarHBondContact O-N 3.2Å; T432-L438 HydrophobicContact CG2-CD2 4.34Å
433A73.7Confident84.9Confident35 Ų3536.5 Ų36.529%0.28920%0.202SC..EExtended strand (participates in β ladder)trans-64.8133.8175.900000110.4F54F54-A433 HydrophobicContact CE1-CB 4.14Å
434V81.4Confident84.3Confident12 Ų1236.3 Ų36.37%0.07320%0.201CC..PPolyproline II helixtrans-83.5121174.3-175.20000108.2A173 L176 I343 F345 K427 A429 T432A173-V434 HydrophobicContact CB-CG1 4.11Å; L176-V434 HydrophobicContact CD1-CG2 4.38Å; I343-V434 HydrophobicContact CD1-CG2 4.21Å; F345-V434 HydrophobicContact CB-CB 4.25Å; F345-V434 HydrophobicContact CB-CG1 4.29Å; F345-V434 HydrophobicContact CD1-CB 4.49Å; F345-V434 HydrophobicContact CD1-CG1 3.64Å; F345-V434 HydrophobicContact CD2-CB 4.34Å; F345-V434 HydrophobicContact CD2-CG1 4.04Å; F345-V434 WeakPolarHBondContact CD2-O 3.49Å; F345-V434 HydrophobicContact CE1-CG1 3.87Å; F345-V434 HydrophobicContact CE2-CG1 4.25Å; F345-V434 HydrophobicContact CG-CB 4.14Å; F345-V434 HydrophobicContact CG-CG1 3.74Å; F345-V434 HydrophobicContact CZ-CG1 4.17Å; K427-V434 PolarHBondContact O-N 3.32Å; A429-V434 HydrophobicContact CB-CG2 3.94Å; T432-V434 PolarHBondContact O-N 3.2Å
435G85Confident83.5Confident17 Ų1732.8 Ų32.818%0.17518%0.182CC..SBendtrans-174.5179.5-17900000110.6T172 A437T172-G435 WeakPolarHBondContact CB-O 3.48Å; T172-G435 VanDerWaalsContact CG2-O 3.24Å; T172-G435 WeakPolarHBondContact CG2-O 3.24Å; T172-G435 PolarHBondContact OG1-O 3.24Å; G435-A437 PolarHBondContact O-N 3.42Å
436W91.4Very high82.7Confident4 Ų434.4 Ų34.42%0.01519%0.192CC..Hα-helixtrans-77.2-20.8-173.564.2-95.2000114V43 D45 G120 T122 L160 E165 F168 L438 G439 Y440V43-W436 HydrophobicContact CG1-CH2 3.9Å; V43-W436 HydrophobicContact CG1-CZ3 3.83Å; D45-W436 HydrophobicContact CB-CH2 4.43Å; D45-W436 HydrophobicContact CB-CZ2 3.75Å; D45-W436 VanDerWaalsContact CG-CE2 3.45Å; D45-W436 VanDerWaalsContact CG-CZ2 3.48Å; D45-W436 VanDerWaalsContact OD1-CE2 3.3Å; D45-W436 VanDerWaalsContact OD1-CZ2 3.23Å; D45-W436 WeakPolarHBondContact OD1-CZ2 3.37Å; D45-W436 PolarHBondContact OD1-NE1 2.91Å; D45-W436 PolarHBondContact OD2-NE1 2.89Å; G120-W436 WeakPolarHBondContact O-CH2 3.39Å; G120-W436 VanDerWaalsContact O-CZ2 3.24Å; G120-W436 WeakPolarHBondContact O-CZ2 3.36Å; T122-W436 HydrophobicContact CG2-CZ2 4.18Å; L160-W436 HydrophobicContact CD1-CH2 4.31Å; L160-W436 HydrophobicContact CD1-CZ3 4.38Å; L160-W436 HydrophobicContact CD2-CD2 3.82Å; L160-W436 HydrophobicContact CD2-CE3 3.54Å; L160-W436 HydrophobicContact CD2-CH2 4.23Å; L160-W436 HydrophobicContact CD2-CZ2 4.38Å; L160-W436 HydrophobicContact CD2-CZ3 3.79Å; E165-W436 HydrophobicContact CG-CG 4.28Å; E165-W436 WeakPolarHBondContact O-CB 3.36Å; F168-W436 HydrophobicContact CB-CB 3.88Å; F168-W436 WeakPolarHBondContact CB-O 3.37Å; W436-L438 PolarHBondContact O-N 2.99Å; W436-G439 PolarHBondContact O-N 2.9Å; W436-Y440 HydrophobicContact CE3-CG 4.36Å; W436-Y440 HydrophobicContact CZ3-CD1 4.35Å; W436-Y440 HydrophobicContact CZ3-CG 4.08Å; W436-Y440 WeakPolarHBondContact O-CB 3.35Å; W436-Y440 PolarHBondContact O-N 3.39Å
437A92.4Very high81.9Confident2 Ų236.3 Ų36.32%0.01720%0.204CC..Hα-helixtrans-58.6-41.1-17200000114.6V43 F54 Y56 G435 M441V43-A437 HydrophobicContact CB-CB 4.12Å; V43-A437 HydrophobicContact CG1-CB 3.81Å; F54-A437 HydrophobicContact CD2-CB 3.8Å; F54-A437 HydrophobicContact CE2-CB 4.27Å; Y56-A437 WeakPolarHBondContact OH-CB 3.45Å; G435-A437 PolarHBondContact O-N 3.42Å; A437-M441 PolarHBondContact O-N 2.9Å
438L90.7Very high81.2Confident1 Ų132.5 Ų32.51%0.00519%0.188CC..Hα-helixtrans-70.3-44179.4174.360.8000111.7Y56 V69 T172 Y175 L176 T432 W436 Y440 M441 L442Y56-L438 HydrophobicContact CD1-CD1 3.72Å; Y56-L438 HydrophobicContact CE1-CB 3.85Å; Y56-L438 HydrophobicContact CE1-CD1 3.62Å; Y56-L438 HydrophobicContact CE1-CG 4.23Å; Y56-L438 HydrophobicContact CG-CD1 4.44Å; Y56-L438 PolarHBondContact OH-N 3.26Å; V69-L438 HydrophobicContact CB-CD1 3.88Å; V69-L438 HydrophobicContact CG1-CD1 3.46Å; V69-L438 VanDerWaalsContact CG1-CD1 3.46Å; T172-L438 HydrophobicContact CG2-CB 3.92Å; T172-L438 HydrophobicContact CG2-CD2 4.1Å; T172-L438 HydrophobicContact CG2-CG 4.45Å; Y175-L438 HydrophobicContact CD1-CD2 3.7Å; Y175-L438 HydrophobicContact CD1-CG 4.37Å; Y175-L438 HydrophobicContact CE1-CD2 4.11Å; L176-L438 HydrophobicContact CD1-CD2 4.19Å; L176-L438 HydrophobicContact CD2-CD2 3.63Å; L176-L438 HydrophobicContact CG-CD2 3.8Å; T432-L438 HydrophobicContact CG2-CD2 4.34Å; W436-L438 PolarHBondContact O-N 2.99Å; L438-Y440 VanDerWaalsContact C-N 3.27Å; L438-Y440 PolarHBondContact O-N 3.08Å; L438-M441 CarbonylContact O-C 3.54Å; L438-M441 WeakPolarHBondContact O-CB 3.36Å; L438-M441 PolarHBondContact O-N 3.37Å; L438-M441 VanDerWaalsContact O-N 3.13Å; L438-L442 HydrophobicContact CD1-CD1 4.34Å; L438-L442 HydrophobicContact CD1-CG 4.24Å; L438-L442 HydrophobicContact CG-CD1 4.06Å; L438-L442 HydrophobicContact CG-CG 4.45Å; L438-L442 WeakPolarHBondContact O-CG 3.5Å; L438-L442 PolarHBondContact O-N 3.41Å
439G91.1Very high80.5Confident0 Ų032.4 Ų32.40%020%0.198CC..Hα-helixtrans-62-37.2176.600000112.2F168 T172 W436 L442 N443F168-G439 WeakPolarHBondContact O-CA 3.21Å; T172-G439 PolarHBondContact OG1-N 2.59Å; W436-G439 PolarHBondContact O-N 2.9Å; G439-L442 PolarHBondContact O-N 2.65Å; G439-N443 PolarHBondContact O-N 3.14Å
440Y91.3Very high80.3Confident8 Ų834.8 Ų34.83%0.03122%0.217CC..Hα-helixtrans-60.5-49.8170.7-175.1-102.7000111.2V43 Y118 R158 F168 W436 L438 L442 N443 L444V43-Y440 HydrophobicContact CG1-CD1 4.43Å; V43-Y440 HydrophobicContact CG2-CD1 4.27Å; Y118-Y440 AromaticContact CD1-CE1 3.85Å; Y118-Y440 HydrophobicContact CD1-CE1 3.85Å; Y118-Y440 WeakPolarHBondContact CD1-OH 3.38Å; Y118-Y440 HydrophobicContact CD2-CE1 4.32Å; Y118-Y440 HydrophobicContact CE1-CE1 4.4Å; Y118-Y440 AromaticContact CG-CE1 3.78Å; Y118-Y440 HydrophobicContact CG-CE1 3.78Å; R158-Y440 VanDerWaalsContact CZ-OH 3.29Å; R158-Y440 PolarHBondContact NH1-OH 2.93Å; F168-Y440 AromaticContact CD2-CD2 3.8Å; F168-Y440 HydrophobicContact CD2-CD2 3.8Å; F168-Y440 HydrophobicContact CD2-CG 4.49Å; F168-Y440 AromaticContact CE2-CD2 3.51Å; F168-Y440 HydrophobicContact CE2-CD2 3.51Å; F168-Y440 HydrophobicContact CE2-CE2 4.18Å; F168-Y440 HydrophobicContact CG-CD2 4.47Å; F168-Y440 AromaticContact CZ-CD2 3.94Å; F168-Y440 HydrophobicContact CZ-CD2 3.94Å; W436-Y440 HydrophobicContact CE3-CG 4.36Å; W436-Y440 HydrophobicContact CZ3-CD1 4.35Å; W436-Y440 HydrophobicContact CZ3-CG 4.08Å; W436-Y440 WeakPolarHBondContact O-CB 3.35Å; W436-Y440 PolarHBondContact O-N 3.39Å; L438-Y440 VanDerWaalsContact C-N 3.27Å; L438-Y440 PolarHBondContact O-N 3.08Å; Y440-L442 PolarHBondContact O-N 3.18Å; Y440-N443 PolarHBondContact O-N 3.43Å; Y440-L444 HydrophobicContact CD1-CD1 3.61Å; Y440-L444 HydrophobicContact CD1-CG 4.41Å; Y440-L444 HydrophobicContact CE1-CD1 3.26Å; Y440-L444 HydrophobicContact CE1-CG 4.13Å; Y440-L444 HydrophobicContact CG-CD1 4.47Å; Y440-L444 WeakPolarHBondContact O-CG 3.4Å; Y440-L444 PolarHBondContact O-N 3.03Å
441M90.8Very high80.2Confident0 Ų034.1 Ų34.10%020%0.203CC..Hα-helixtrans-61.3-41.7177.2-175.55662.800112.5V43 Y56 W58 V69 Y118 A437 L438 N443 L444 T445V43-M441 HydrophobicContact CG2-CB 4.23Å; V43-M441 HydrophobicContact CG2-CE 3.4Å; V43-M441 VanDerWaalsContact CG2-CE 3.4Å; Y56-M441 HydrophobicContact CD2-CB 4.01Å; Y56-M441 HydrophobicContact CD2-CE 4.4Å; Y56-M441 HydrophobicContact CD2-CG 3.9Å; Y56-M441 HydrophobicContact CE2-CB 4.26Å; Y56-M441 HydrophobicContact CG-CG 4.26Å; W58-M441 HydrophobicContact CH2-SD 3.84Å; W58-M441 HydrophobicContact CZ3-CG 4.16Å; W58-M441 HydrophobicContact CZ3-SD 3.97Å; V69-M441 HydrophobicContact CG1-CG 4.41Å; Y118-M441 HydrophobicContact CD2-CE 4.39Å; A437-M441 PolarHBondContact O-N 2.9Å; L438-M441 CarbonylContact O-C 3.54Å; L438-M441 WeakPolarHBondContact O-CB 3.36Å; L438-M441 PolarHBondContact O-N 3.37Å; L438-M441 VanDerWaalsContact O-N 3.13Å; M441-N443 PolarHBondContact O-N 3.25Å; M441-L444 CarbonylContact O-C 3.37Å; M441-L444 WeakPolarHBondContact O-CB 3.4Å; M441-L444 PolarHBondContact O-N 3.46Å; M441-L444 VanDerWaalsContact O-N 3.16Å; M441-T445 VanDerWaalsContact O-CG2 3.29Å; M441-T445 WeakPolarHBondContact O-CG2 3.46Å; M441-T445 PolarHBondContact O-N 2.84Å
442L86.4Confident79.7Confident2 Ų232.6 Ų32.61%0.0120%0.201CC..Hα-helixtrans-59.5-46.2176.3-78165.8000111.7T66 G67 V69 V171 Y175 L438 G439 Y440 L444 T445T66-L442 HydrophobicContact CG2-CD2 4.38Å; G67-L442 WeakPolarHBondContact O-CD2 3.04Å; V69-L442 HydrophobicContact CB-CD2 3.88Å; V69-L442 HydrophobicContact CB-CG 4.44Å; V69-L442 HydrophobicContact CG2-CD2 3.61Å; V69-L442 HydrophobicContact CG2-CG 4.32Å; V171-L442 HydrophobicContact CG1-CB 4.4Å; V171-L442 HydrophobicContact CG1-CD1 3.93Å; Y175-L442 HydrophobicContact CD1-CD1 3.79Å; Y175-L442 HydrophobicContact CD2-CD1 3.77Å; Y175-L442 HydrophobicContact CD2-CD2 4.11Å; Y175-L442 HydrophobicContact CE1-CD1 4.39Å; Y175-L442 HydrophobicContact CE2-CD1 4.39Å; Y175-L442 HydrophobicContact CE2-CD2 3.99Å; Y175-L442 HydrophobicContact CG-CD1 3.43Å; Y175-L442 VanDerWaalsContact CG-CD1 3.43Å; Y175-L442 HydrophobicContact CG-CD2 4.47Å; L438-L442 HydrophobicContact CD1-CD1 4.34Å; L438-L442 HydrophobicContact CD1-CG 4.24Å; L438-L442 HydrophobicContact CG-CD1 4.06Å; L438-L442 HydrophobicContact CG-CG 4.45Å; L438-L442 WeakPolarHBondContact O-CG 3.5Å; L438-L442 PolarHBondContact O-N 3.41Å; G439-L442 PolarHBondContact O-N 2.65Å; Y440-L442 PolarHBondContact O-N 3.18Å; L442-L444 VanDerWaalsContact C-N 3.29Å; L442-L444 PolarHBondContact O-N 2.87Å; L442-T445 WeakPolarHBondContact O-CB 3.45Å; L442-T445 PolarHBondContact O-N 3.38Å; L442-T445 VanDerWaalsContact O-N 3.08Å; L442-T445 PolarHBondContact O-OG1 2.99Å
443N86.4Confident79.2Confident58 Ų5835 Ų3531%0.3122%0.218SC..Hα-helixtrans-60.5-41.7175.6-175.137.7000111.5F168 G439 Y440 M441 T445 N446F168-N443 HydrophobicContact CD1-CB 4.48Å; F168-N443 HydrophobicContact CE1-CB 3.75Å; G439-N443 PolarHBondContact O-N 3.14Å; Y440-N443 PolarHBondContact O-N 3.43Å; M441-N443 PolarHBondContact O-N 3.25Å; N443-T445 VanDerWaalsContact C-N 3.27Å; N443-T445 PolarHBondContact O-N 3.36Å; N443-N446 WeakPolarHBondContact O-CB 3.4Å; N443-N446 PolarHBondContact O-N 3.38Å; N443-N446 VanDerWaalsContact O-N 3.14Å
444L82.4Confident78.5Confident11 Ų1135 Ų356%0.05822%0.22CC..Hα-helixtrans-65.6-28.6175.3-67.2171.1000113.1Y118 Y440 M441 L442 N446 L447 I448Y118-L444 HydrophobicContact CD1-CD1 4.14Å; Y118-L444 HydrophobicContact CD2-CD1 3.67Å; Y118-L444 HydrophobicContact CE1-CD1 3.72Å; Y118-L444 HydrophobicContact CE1-CD2 4.07Å; Y118-L444 HydrophobicContact CE2-CD1 3.23Å; Y118-L444 HydrophobicContact CE2-CG 4.43Å; Y118-L444 HydrophobicContact CG-CD1 4.1Å; Y440-L444 HydrophobicContact CD1-CD1 3.61Å; Y440-L444 HydrophobicContact CD1-CG 4.41Å; Y440-L444 HydrophobicContact CE1-CD1 3.26Å; Y440-L444 HydrophobicContact CE1-CG 4.13Å; Y440-L444 HydrophobicContact CG-CD1 4.47Å; Y440-L444 WeakPolarHBondContact O-CG 3.4Å; Y440-L444 PolarHBondContact O-N 3.03Å; M441-L444 CarbonylContact O-C 3.37Å; M441-L444 WeakPolarHBondContact O-CB 3.4Å; M441-L444 PolarHBondContact O-N 3.46Å; M441-L444 VanDerWaalsContact O-N 3.16Å; L442-L444 VanDerWaalsContact C-N 3.29Å; L442-L444 PolarHBondContact O-N 2.87Å; L444-N446 PolarHBondContact O-N 3.26Å; L444-L447 HydrophobicContact CD2-CD1 4.09Å; L444-L447 WeakPolarHBondContact O-CB 3.05Å; L444-L447 PolarHBondContact O-N 3.44Å; L444-I448 PolarHBondContact O-N 3.49Å
445T79.4Confident77.6Confident0 Ų038.8 Ų38.80%024%0.24CC..Hα-helixtrans-61.3-30.5173.971.50000111.7W58 K62 G67 V69 M441 L442 N443 L447 I448W58-T445 HydrophobicContact CD2-CG2 4.34Å; W58-T445 HydrophobicContact CH2-CG2 4.45Å; W58-T445 HydrophobicContact CZ2-CG2 4.11Å; K62-T445 PolarHBondContact NZ-O 3.34Å; G67-T445 PolarHBondContact N-OG1 2.85Å; V69-T445 HydrophobicContact CG2-CG2 3.7Å; M441-T445 VanDerWaalsContact O-CG2 3.29Å; M441-T445 WeakPolarHBondContact O-CG2 3.46Å; M441-T445 PolarHBondContact O-N 2.84Å; L442-T445 WeakPolarHBondContact O-CB 3.45Å; L442-T445 PolarHBondContact O-N 3.38Å; L442-T445 VanDerWaalsContact O-N 3.08Å; L442-T445 PolarHBondContact O-OG1 2.99Å; N443-T445 VanDerWaalsContact C-N 3.27Å; N443-T445 PolarHBondContact O-N 3.36Å; T445-L447 PolarHBondContact O-N 3.41Å; T445-L447 VanDerWaalsContact O-N 3.13Å; T445-I448 PolarHBondContact O-N 3.39Å; T445-I448 VanDerWaalsContact O-N 3.08Å
446N77.5Confident76.5Confident47 Ų4746 Ų4625%0.25126%0.262SS..THydrogen-bonded Turntrans-61.8-22.2173.8-68.1-25000113D65 T66 R227 N443 L444D65-N446 PolarHBondContact O-OD1 3.32Å; T66-N446 VanDerWaalsContact CA-OD1 3.29Å; T66-N446 WeakPolarHBondContact CA-OD1 3.5Å; T66-N446 WeakPolarHBondContact CB-OD1 3.29Å; T66-N446 PolarHBondContact N-OD1 3.01Å; T66-N446 PolarHBondContact OG1-OD1 3.36Å; R227-N446 PolarHBondContact O-ND2 2.93Å; N443-N446 WeakPolarHBondContact O-CB 3.4Å; N443-N446 PolarHBondContact O-N 3.38Å; N443-N446 VanDerWaalsContact O-N 3.14Å; L444-N446 PolarHBondContact O-N 3.26Å
447L73.1Confident75.3Confident127 Ų12752.1 Ų52.167%0.66529%0.289SS*.THydrogen-bonded Turntrans-91.5-10.4179.2-55.2178.4000113.3L444 T445L444-L447 HydrophobicContact CD2-CD1 4.09Å; L444-L447 WeakPolarHBondContact O-CB 3.05Å; L444-L447 PolarHBondContact O-N 3.44Å; T445-L447 PolarHBondContact O-N 3.41Å; T445-L447 VanDerWaalsContact O-N 3.13Å
448I66.4Low73.9Confident20 Ų2054.6 Ų54.610%0.10331%0.314CS..SBendtrans-92.6132179.4-64170.1000107.4K39 W58 K62 P116 L444 T445K39-I448 HydrophobicContact CD-CG2 4.31Å; W58-I448 HydrophobicContact CH2-CD1 4.38Å; W58-I448 HydrophobicContact CZ2-CD1 3.84Å; K62-I448 PolarHBondContact NZ-O 3.08Å; P116-I448 HydrophobicContact CG-CD1 4.25Å; L444-I448 PolarHBondContact O-N 3.49Å; T445-I448 PolarHBondContact O-N 3.39Å; T445-I448 VanDerWaalsContact O-N 3.08Å
449P65.3Low72.8Confident99 Ų9957.1 Ų57.164%0.64333%0.33SS*.PPolyproline II helixtrans-68.1144.8174.625.4-31.6000111.1K39K39-P449 PolarHBondContact NZ-O 3.03Å
450A68.6Low72.1Confident53 Ų5361.8 Ų61.844%0.43835%0.354SS..PPolyproline II helixtrans-70.2142.6169.300000109.7A60 K62A60-A450 WeakPolarHBondContact O-CA 3.44Å; K62-A450 HydrophobicContact CB-CB 4.27Å; K62-A450 HydrophobicContact CD-CB 4.23Å; K62-A450 HydrophobicContact CG-CB 3.98Å
451D66.9Low71.6Confident60 Ų6068.4 Ų68.432%0.32138%0.384SS..PPolyproline II helixtrans-78.6144.1173-65.7-12.3000109.2K39 A60K39-D451 VanDerWaalsContact CE-CG 3.47Å; K39-D451 WeakPolarHBondContact CE-OD1 3.29Å; K39-D451 WeakPolarHBondContact CE-OD2 3.4Å; K39-D451 IonicContact NZ-OD1 3.65Å; K39-D451 PolarHBondContact NZ-OD1 3.22Å; K39-D451 IonicContact NZ-OD2 3.84Å; A60-D451 HydrophobicContact CB-CB 3.84Å; A60-D451 WeakPolarHBondContact CB-OD2 3.27Å; A60-D451 PolarHBondContact O-N 3Å; A60-D451 VanDerWaalsContact O-N 3.14Å
452P60Low71.2Confident114 Ų11472 Ų7274%0.7441%0.409SS*.PPolyproline II helixtrans-61.5145.2173.826.7-33.1000109.7G454P452-G454 PolarHBondContact O-N 2.95Å
453P62.2Low71.1Confident66 Ų6674.9 Ų74.943%0.42943%0.429SS..PPolyproline II helixtrans-59.4128.3-179.923.4-32.3000110.4R33 L455R33-P453 HydrophobicContact CG-CB 4.09Å; R33-P453 VanDerWaalsContact NE-CB 3.35Å; P453-L455 PolarHBondContact O-N 2.92Å
454G59.2Low71.1Confident33 Ų3376.3 Ų76.334%0.3443%0.43SS..PPolyproline II helixtrans-61.5123.5170.100000109.6E34 P452E34-G454 PolarHBondContact N-O 3.42Å; P452-G454 PolarHBondContact O-N 2.95Å
455L62.5Low71.3Confident93 Ų9378.1 Ų78.149%0.48744%0.442SS..EExtended strand (participates in β ladder)trans-110112.1176.7-66.7170.9000108.3D31 P453 K457D31-L455 HydrophobicContact CB-CB 4.46Å; D31-L455 HydrophobicContact CB-CD2 4.01Å; P453-L455 PolarHBondContact O-N 2.92Å; L455-K457 PolarHBondContact O-N 2.86Å
456R61.8Low71.9Confident168 Ų16882.5 Ų82.563%0.63447%0.468SS*.EExtended strand (participates in β ladder)trans-82.3102.8168.1-161.8174.3-178.4171.5-0.5108.2I32 E34I32-R456 PolarHBondContact N-O 3.22Å; I32-R456 VanDerWaalsContact N-O 3.09Å; I32-R456 PolarHBondContact O-N 2.92Å; E34-R456 HydrophobicContact CG-CB 3.8Å; E34-R456 WeakPolarHBondContact OE1-CB 3.26Å; E34-R456 WeakPolarHBondContact OE1-CD 3.25Å
457K66.4Low72.5Confident133 Ų13383.3 Ų83.358%0.57847%0.472SS*.  trans-71.4146.7174.7-62-167.8173.5-177.50110.1L455 T459L455-K457 PolarHBondContact O-N 2.86Å; K457-T459 PolarHBondContact O-N 3.04Å
458G63.6Low73.4Confident53 Ų5380 Ų8055%0.54646%0.455SS..SBendtrans-61.1-23.9178.400000114
459T68Low74.6Confident55 Ų5584.3 Ų84.334%0.33748%0.477SS..SBendtrans-143.4133.517251.70000109.4K457K457-T459 PolarHBondContact O-N 3.04Å
460D76.7Confident76Confident97 Ų9784 Ų8452%0.51947%0.47SS..  trans-60145.5169.3176.542000110.3S462 S463 W464D460-S462 VanDerWaalsContact C-N 3.27Å; D460-S462 PolarHBondContact O-N 2.04Å; D460-S462 WeakPolarHBondContact OD2-CB 3.26Å; D460-S462 PolarHBondContact OD2-N 3.24Å; D460-S462 PolarHBondContact OD2-OG 3.37Å; D460-S463 WeakPolarHBondContact O-CB 3.3Å; D460-S463 PolarHBondContact O-N 2.79Å; D460-S463 VanDerWaalsContact O-N 3.11Å; D460-W464 WeakPolarHBondContact O-CB 3.39Å; D460-W464 PolarHBondContact O-N 3.07Å
461F79.8Confident77.2Confident148 Ų14883.8 Ų83.865%0.64946%0.459SS*.Hα-helixtrans-58-42.5-175.9179.4-103.2000111.4S463 W464 V465F461-S463 VanDerWaalsContact C-N 3.35Å; F461-S463 PolarHBondContact O-N 3.44Å; F461-W464 PolarHBondContact O-N 3.29Å; F461-V465 HydrophobicContact CD1-CG2 4.28Å; F461-V465 HydrophobicContact CE1-CG2 3.9Å; F461-V465 HydrophobicContact CE2-CG2 4.16Å; F461-V465 HydrophobicContact CZ-CG2 3.84Å; F461-V465 WeakPolarHBondContact O-CG2 3.39Å; F461-V465 PolarHBondContact O-N 3.3Å
462S82.8Confident78.4Confident75 Ų7582.6 Ų82.652%0.52446%0.458SS..Hα-helixtrans-62.8-44178.3-44.50000111.2D460 V465 V466D460-S462 VanDerWaalsContact C-N 3.27Å; D460-S462 PolarHBondContact O-N 2.04Å; D460-S462 WeakPolarHBondContact OD2-CB 3.26Å; D460-S462 PolarHBondContact OD2-N 3.24Å; D460-S462 PolarHBondContact OD2-OG 3.37Å; S462-V465 PolarHBondContact O-N 3.12Å; S462-V466 VanDerWaalsContact O-CG2 3.3Å; S462-V466 WeakPolarHBondContact O-CG2 3.29Å; S462-V466 PolarHBondContact O-N 3.19Å
463S83.6Confident79.9Confident63 Ų6380.3 Ų80.344%0.44144%0.444SS..Hα-helixtrans-65.7-39.3177.8-62.30000111.9D460 F461 V466 L467D460-S463 WeakPolarHBondContact O-CB 3.3Å; D460-S463 PolarHBondContact O-N 2.79Å; D460-S463 VanDerWaalsContact O-N 3.11Å; F461-S463 VanDerWaalsContact C-N 3.35Å; F461-S463 PolarHBondContact O-N 3.44Å; S463-V466 PolarHBondContact O-N 3.48Å; S463-L467 WeakPolarHBondContact O-CB 3.02Å; S463-L467 VanDerWaalsContact O-CG 3.27Å; S463-L467 WeakPolarHBondContact O-CG 3.43Å; S463-L467 PolarHBondContact O-N 3.07Å
464W86.4Confident81.3Confident87 Ų8778 Ų7833%0.3343%0.432SS..Hα-helixtrans-64-44.9176.2-177.191.4000111.9L25 D460 F461 V466 L467 L468L25-W464 HydrophobicContact CD2-CG 4.47Å; D460-W464 WeakPolarHBondContact O-CB 3.39Å; D460-W464 PolarHBondContact O-N 3.07Å; F461-W464 PolarHBondContact O-N 3.29Å; W464-V466 PolarHBondContact O-N 2.78Å; W464-L467 PolarHBondContact O-N 3.28Å; W464-L468 HydrophobicContact CH2-CD1 3.39Å; W464-L468 HydrophobicContact CZ2-CD1 3.58Å; W464-L468 HydrophobicContact CZ3-CD1 3.89Å; W464-L468 WeakPolarHBondContact O-CB 3.36Å; W464-L468 PolarHBondContact O-N 2.75Å
465V87.4Confident82.9Confident49 Ų4979 Ų7930%0.29743%0.428SS..Hα-helixtrans-61.4-45176.4171.80000110.9F461 S462 L467 L468 L469F461-V465 HydrophobicContact CD1-CG2 4.28Å; F461-V465 HydrophobicContact CE1-CG2 3.9Å; F461-V465 HydrophobicContact CE2-CG2 4.16Å; F461-V465 HydrophobicContact CZ-CG2 3.84Å; F461-V465 WeakPolarHBondContact O-CG2 3.39Å; F461-V465 PolarHBondContact O-N 3.3Å; S462-V465 PolarHBondContact O-N 3.12Å; V465-L467 PolarHBondContact O-N 3.34Å; V465-L468 PolarHBondContact O-N 3.25Å; V465-L469 HydrophobicContact CG1-CD1 4.02Å; V465-L469 HydrophobicContact CG1-CG 4.47Å; V465-L469 WeakPolarHBondContact O-CG 3.36Å; V465-L469 PolarHBondContact O-N 2.86Å
466V91.2Very high84.4Confident92 Ų9279.8 Ų79.856%0.55843%0.433SS*.Hα-helixtrans-61.1-46.2177.6170.40000111.2S462 S463 W464 L468 L469 L470S462-V466 VanDerWaalsContact O-CG2 3.3Å; S462-V466 WeakPolarHBondContact O-CG2 3.29Å; S462-V466 PolarHBondContact O-N 3.19Å; S463-V466 PolarHBondContact O-N 3.48Å; W464-V466 PolarHBondContact O-N 2.78Å; V466-L468 PolarHBondContact O-N 2.83Å; V466-L469 PolarHBondContact O-N 3.38Å; V466-L470 VanDerWaalsContact O-CB 3.29Å; V466-L470 WeakPolarHBondContact O-CB 3.25Å; V466-L470 PolarHBondContact O-N 3.32Å
467L90.3Very high85.7Confident65 Ų6573.9 Ų73.934%0.3442%0.42SS..Hα-helixtrans-64.2-39.4178.1-72.8168.8000112.1L25 S463 W464 V465 L470 F471L25-L467 HydrophobicContact CD1-CB 4.06Å; L25-L467 HydrophobicContact CD2-CB 4.12Å; L25-L467 HydrophobicContact CD2-CD1 4.28Å; S463-L467 WeakPolarHBondContact O-CB 3.02Å; S463-L467 VanDerWaalsContact O-CG 3.27Å; S463-L467 WeakPolarHBondContact O-CG 3.43Å; S463-L467 PolarHBondContact O-N 3.07Å; W464-L467 PolarHBondContact O-N 3.28Å; V465-L467 PolarHBondContact O-N 3.34Å; L467-L470 PolarHBondContact O-N 3.11Å; L467-F471 HydrophobicContact CB-CD2 4.47Å; L467-F471 HydrophobicContact CB-CE2 4.13Å; L467-F471 HydrophobicContact CD2-CE2 4.26Å; L467-F471 HydrophobicContact CD2-CZ 4.38Å; L467-F471 WeakPolarHBondContact O-CD2 3.49Å; L467-F471 WeakPolarHBondContact O-CG 3.49Å; L467-F471 PolarHBondContact O-N 3.29Å
468L91.5Very high86.9Confident57 Ų5767.6 Ų67.630%0.29839%0.393SS..Hα-helixtrans-63.7-45.9177.7-173.3142.1000111.6L22 L25 W464 V465 V466 L470 F471 A472L22-L468 HydrophobicContact CD2-CG 4.31Å; L25-L468 HydrophobicContact CD1-CB 4.13Å; W464-L468 HydrophobicContact CH2-CD1 3.39Å; W464-L468 HydrophobicContact CZ2-CD1 3.58Å; W464-L468 HydrophobicContact CZ3-CD1 3.89Å; W464-L468 WeakPolarHBondContact O-CB 3.36Å; W464-L468 PolarHBondContact O-N 2.75Å; V465-L468 PolarHBondContact O-N 3.25Å; V466-L468 PolarHBondContact O-N 2.83Å; L468-L470 VanDerWaalsContact C-N 3.32Å; L468-L470 PolarHBondContact O-N 2.92Å; L468-F471 PolarHBondContact O-N 3.46Å; L468-A472 VanDerWaalsContact O-CB 3.27Å; L468-A472 WeakPolarHBondContact O-CB 3.22Å; L468-A472 PolarHBondContact O-N 2.94Å
469L92.9Very high88.2Confident110 Ų11069.8 Ų69.858%0.57639%0.391SS*.Hα-helixtrans-63.8-38.8175.3-68.7173.7000111.7V465 V466 S473V465-L469 HydrophobicContact CG1-CD1 4.02Å; V465-L469 HydrophobicContact CG1-CG 4.47Å; V465-L469 WeakPolarHBondContact O-CG 3.36Å; V465-L469 PolarHBondContact O-N 2.86Å; V466-L469 PolarHBondContact O-N 3.38Å; L469-S473 VanDerWaalsContact O-CB 3.3Å; L469-S473 WeakPolarHBondContact O-CB 3.41Å; L469-S473 PolarHBondContact O-N 2.93Å; L469-S473 PolarHBondContact O-OG 2.78Å
470L93.9Very high89.3Confident94 Ų9470.4 Ų70.449%0.49240%0.395SS..Hα-helixtrans-64.5-46.3177.6-173.8143.7000111.9V466 L467 L468 S473 A474V466-L470 VanDerWaalsContact O-CB 3.29Å; V466-L470 WeakPolarHBondContact O-CB 3.25Å; V466-L470 PolarHBondContact O-N 3.32Å; L467-L470 PolarHBondContact O-N 3.11Å; L468-L470 VanDerWaalsContact C-N 3.32Å; L468-L470 PolarHBondContact O-N 2.92Å; L470-S473 PolarHBondContact O-OG 3.42Å; L470-A474 WeakPolarHBondContact O-CB 3.49Å; L470-A474 PolarHBondContact O-N 2.03Å
471F94.4Very high89.9Confident47 Ų4769.3 Ų69.321%0.20639%0.389CS..Hα-helixtrans-72.4-34.7178.6-63.6-51.6000113L22 L25 L467 L468 A474 L475L22-F471 HydrophobicContact CD2-CB 4.12Å; L22-F471 HydrophobicContact CG-CB 3.87Å; L25-F471 HydrophobicContact CD1-CD2 3.63Å; L25-F471 HydrophobicContact CD1-CE2 3.96Å; L25-F471 HydrophobicContact CG-CD2 4.36Å; L25-F471 HydrophobicContact CG-CE2 4.28Å; L467-F471 HydrophobicContact CB-CD2 4.47Å; L467-F471 HydrophobicContact CB-CE2 4.13Å; L467-F471 HydrophobicContact CD2-CE2 4.26Å; L467-F471 HydrophobicContact CD2-CZ 4.38Å; L467-F471 WeakPolarHBondContact O-CD2 3.49Å; L467-F471 WeakPolarHBondContact O-CG 3.49Å; L467-F471 PolarHBondContact O-N 3.29Å; L468-F471 PolarHBondContact O-N 3.46Å; F471-A474 PolarHBondContact O-N 3.42Å; F471-L475 PolarHBondContact O-N 3.21Å; F471-L475 VanDerWaalsContact O-N 3.08Å
472A92.7Very high90.2Very high36 Ų3664.6 Ų64.630%0.29837%0.37SS..Hα-helixtrans-64.7-43.2173.700000112L468 L475 L476L468-A472 VanDerWaalsContact O-CB 3.27Å; L468-A472 WeakPolarHBondContact O-CB 3.22Å; L468-A472 PolarHBondContact O-N 2.94Å; A472-L475 PolarHBondContact O-N 2.58Å; A472-L476 PolarHBondContact O-N 3.05Å
473S91.4Very high90.3Very high65 Ų6566.1 Ų66.146%0.45537%0.371SS..Hα-helixtrans-66.7-36.1175.660.40000112.4L469 L470 L476 A477L469-S473 VanDerWaalsContact O-CB 3.3Å; L469-S473 WeakPolarHBondContact O-CB 3.41Å; L469-S473 PolarHBondContact O-N 2.93Å; L469-S473 PolarHBondContact O-OG 2.78Å; L470-S473 PolarHBondContact O-OG 3.42Å; S473-L476 PolarHBondContact O-N 3.1Å; S473-A477 WeakPolarHBondContact O-CB 3.28Å; S473-A477 PolarHBondContact O-N 2.89Å
474A91.9Very high90.3Very high19 Ų1971.2 Ų71.216%0.15738%0.381CS..Hα-helixtrans-61.9-41.2173.100000112.5L14 L470 F471 A477 A478L14-A474 HydrophobicContact CD1-CB 4.24Å; L14-A474 HydrophobicContact CG-CB 4.32Å; L470-A474 WeakPolarHBondContact O-CB 3.49Å; L470-A474 PolarHBondContact O-N 2.03Å; F471-A474 PolarHBondContact O-N 3.42Å; A474-A477 PolarHBondContact O-N 2.95Å; A474-A478 WeakPolarHBondContact O-CB 3.37Å; A474-A478 PolarHBondContact O-N 3.03Å
475L92.4Very high89.9Confident52 Ų5270 Ų7027%0.27238%0.379SS..Hα-helixtrans-66.2-42.9174.8-80.7165000112.4A15 L22 F471 A472 A478 L479A15-L475 HydrophobicContact CB-CD2 4.34Å; L22-L475 HydrophobicContact CD1-CD1 3.4Å; L22-L475 HydrophobicContact CG-CD1 4.46Å; F471-L475 PolarHBondContact O-N 3.21Å; F471-L475 VanDerWaalsContact O-N 3.08Å; A472-L475 PolarHBondContact O-N 2.58Å; L475-A478 PolarHBondContact O-N 3.09Å; L475-L479 WeakPolarHBondContact O-CB 2.97Å; L475-L479 PolarHBondContact O-N 3.39Å
476L92.3Very high89.5Confident111 Ų11171.6 Ų71.658%0.58139%0.389SS*.Hα-helixtrans-60.9-45.1174.1-84.8159.1000111.5A472 S473 A478 L479 V480A472-L476 PolarHBondContact O-N 3.05Å; S473-L476 PolarHBondContact O-N 3.1Å; L476-A478 PolarHBondContact O-N 2.84Å; L476-L479 WeakPolarHBondContact O-CB 3.49Å; L476-L479 PolarHBondContact O-N 3.21Å; L476-V480 VanDerWaalsContact O-CG2 3.31Å; L476-V480 WeakPolarHBondContact O-CG2 3.37Å; L476-V480 PolarHBondContact O-N 3.16Å
477A91.1Very high88.7Confident44 Ų4473.6 Ų73.636%0.36439%0.392SS..Hα-helixtrans-62.1-43.1176.300000111.6L14 S473 A474 L479 V480 L481L14-A477 HydrophobicContact CD2-CB 4.1Å; S473-A477 WeakPolarHBondContact O-CB 3.28Å; S473-A477 PolarHBondContact O-N 2.89Å; A474-A477 PolarHBondContact O-N 2.95Å; A477-L479 PolarHBondContact O-N 3.48Å; A477-V480 PolarHBondContact O-N 3.23Å; A477-L481 WeakPolarHBondContact O-CB 3.33Å; A477-L481 VanDerWaalsContact O-CG 3.25Å; A477-L481 WeakPolarHBondContact O-CG 3.04Å; A477-L481 PolarHBondContact O-N 3.05Å
478A91.5Very high87.7Confident1 Ų174.9 Ų74.91%0.00841%0.406CS..Hα-helixtrans-60.5-44.3175.200000111.9P11 L14 A15 A474 L475 L476 L481 L482P11-A478 WeakPolarHBondContact O-CB 3.35Å; L14-A478 HydrophobicContact CB-CB 4.2Å; L14-A478 HydrophobicContact CD2-CB 4.16Å; L14-A478 HydrophobicContact CG-CB 4.32Å; A15-A478 HydrophobicContact CB-CB 3.86Å; A474-A478 WeakPolarHBondContact O-CB 3.37Å; A474-A478 PolarHBondContact O-N 3.03Å; L475-A478 PolarHBondContact O-N 3.09Å; L476-A478 PolarHBondContact O-N 2.84Å; A478-L481 PolarHBondContact O-N 3.23Å; A478-L482 VanDerWaalsContact O-CG 3.3Å; A478-L482 WeakPolarHBondContact O-CG 3.29Å; A478-L482 PolarHBondContact O-N 3.22Å
479L90.9Very high86.4Confident98 Ų9876 Ų7651%0.51342%0.424SS..Hα-helixtrans-60.6-47.2176.4-169.982000111.5L475 L476 A477 L481 L482 L483L475-L479 WeakPolarHBondContact O-CB 2.97Å; L475-L479 PolarHBondContact O-N 3.39Å; L476-L479 WeakPolarHBondContact O-CB 3.49Å; L476-L479 PolarHBondContact O-N 3.21Å; A477-L479 PolarHBondContact O-N 3.48Å; L479-L481 VanDerWaalsContact C-N 3.34Å; L479-L481 PolarHBondContact O-N 2.99Å; L479-L482 PolarHBondContact O-N 3.09Å; L479-L483 HydrophobicContact CD2-CD1 4.41Å; L479-L483 HydrophobicContact CG-CD1 4.15Å; L479-L483 WeakPolarHBondContact O-CB 3.43Å; L479-L483 VanDerWaalsContact O-CG 3.29Å; L479-L483 WeakPolarHBondContact O-CG 3.37Å; L479-L483 PolarHBondContact O-N 2.99Å
480V90.9Very high84.9Confident68 Ų6878.8 Ų78.841%0.41243%0.431SS..Hα-helixtrans-61.8-42.3178.3170.50000111.2L476 A477 L483 R484L476-V480 VanDerWaalsContact O-CG2 3.31Å; L476-V480 WeakPolarHBondContact O-CG2 3.37Å; L476-V480 PolarHBondContact O-N 3.16Å; A477-V480 PolarHBondContact O-N 3.23Å; V480-L483 PolarHBondContact O-N 3.2Å; V480-R484 WeakPolarHBondContact O-CB 3.4Å; V480-R484 WeakPolarHBondContact O-CG 3.38Å; V480-R484 PolarHBondContact O-N 3.28Å
481L88.1Confident83.1Confident75 Ų7580 Ų8039%0.39344%0.438SS..Hα-helixtrans-64.6-41.4177.2-72.1170.9000112P11 A477 A478 L479 R484 Q485P11-L481 HydrophobicContact CB-CB 4Å; A477-L481 WeakPolarHBondContact O-CB 3.33Å; A477-L481 VanDerWaalsContact O-CG 3.25Å; A477-L481 WeakPolarHBondContact O-CG 3.04Å; A477-L481 PolarHBondContact O-N 3.05Å; A478-L481 PolarHBondContact O-N 3.23Å; L479-L481 VanDerWaalsContact C-N 3.34Å; L479-L481 PolarHBondContact O-N 2.99Å; L481-R484 PolarHBondContact O-N 3.36Å; L481-Q485 WeakPolarHBondContact O-CG 3.5Å; L481-Q485 PolarHBondContact O-N 3.01Å
482L86.4Confident80.9Confident48 Ų4883 Ų8325%0.25146%0.462SS..Hα-helixtrans-63.6-45.8174.8-71.8167.3000111.5L8 P11 A478 L479 R484 Q485 V486L8-L482 HydrophobicContact CD2-CD2 3.98Å; P11-L482 HydrophobicContact CB-CD2 4.01Å; P11-L482 HydrophobicContact CB-CG 3.92Å; P11-L482 HydrophobicContact CG-CD2 3.82Å; P11-L482 HydrophobicContact CG-CG 4.27Å; A478-L482 VanDerWaalsContact O-CG 3.3Å; A478-L482 WeakPolarHBondContact O-CG 3.29Å; A478-L482 PolarHBondContact O-N 3.22Å; L479-L482 PolarHBondContact O-N 3.09Å; L482-R484 PolarHBondContact O-N 2.76Å; L482-Q485 PolarHBondContact O-N 3.12Å; L482-V486 WeakPolarHBondContact O-CG2 3.27Å; L482-V486 PolarHBondContact O-N 2.9Å
483L85.2Confident78.8Confident107 Ų10786.9 Ų86.956%0.5649%0.487SS*.Hα-helixtrans-61.7-42.6177.7-72.5171.1000111.9L479 V480 Q485 V486 H487L479-L483 HydrophobicContact CD2-CD1 4.41Å; L479-L483 HydrophobicContact CG-CD1 4.15Å; L479-L483 WeakPolarHBondContact O-CB 3.43Å; L479-L483 VanDerWaalsContact O-CG 3.29Å; L479-L483 WeakPolarHBondContact O-CG 3.37Å; L479-L483 PolarHBondContact O-N 2.99Å; V480-L483 PolarHBondContact O-N 3.2Å; L483-Q485 VanDerWaalsContact C-N 3.35Å; L483-Q485 PolarHBondContact O-N 3.31Å; L483-V486 PolarHBondContact O-N 3.15Å; L483-H487 WeakPolarHBondContact O-CB 3.16Å; L483-H487 PolarHBondContact O-N 3.39Å
484R83.6Confident76.9Confident171 Ų17190.1 Ų90.165%0.64550%0.504SS*.Hα-helixtrans-60.9-42175.1-78.6-177.9175.8-174.4-0.1112V480 L481 L482 H487 S488V480-R484 WeakPolarHBondContact O-CB 3.4Å; V480-R484 WeakPolarHBondContact O-CG 3.38Å; V480-R484 PolarHBondContact O-N 3.28Å; L481-R484 PolarHBondContact O-N 3.36Å; L482-R484 PolarHBondContact O-N 2.76Å; R484-H487 PolarHBondContact O-N 2.85Å; R484-S488 PolarHBondContact O-N 3.17Å; R484-S488 PolarHBondContact O-OG 2.9Å
485Q78.7Confident74.5Confident61 Ų61100.6 Ų100.629%0.28556%0.555SS.*Hα-helixtrans-67.1-39.2177.4-74-173.34.300112.7S7 L481 L482 L483 H487 S488 A489S7-Q485 PolarHBondContact O-NE2 2.83Å; S7-Q485 PolarHBondContact O-OE1 2.82Å; L481-Q485 WeakPolarHBondContact O-CG 3.5Å; L481-Q485 PolarHBondContact O-N 3.01Å; L482-Q485 PolarHBondContact O-N 3.12Å; L483-Q485 VanDerWaalsContact C-N 3.35Å; L483-Q485 PolarHBondContact O-N 3.31Å; Q485-H487 VanDerWaalsContact C-N 3.3Å; Q485-H487 PolarHBondContact O-N 3.27Å; Q485-S488 PolarHBondContact O-N 3.27Å; Q485-A489 WeakPolarHBondContact O-CB 3.07Å; Q485-A489 PolarHBondContact O-N 3.41Å
486V78.3Confident73.6Confident82 Ų82103 Ų10350%0.49757%0.569SS.*Hα-helixtrans-63.9-38.6173.9172.70000110.9L482 L483 A489 K490L482-V486 WeakPolarHBondContact O-CG2 3.27Å; L482-V486 PolarHBondContact O-N 2.9Å; L483-V486 PolarHBondContact O-N 3.15Å; V486-A489 PolarHBondContact O-N 2.61Å; V486-K490 PolarHBondContact O-N 3.23Å
487H74.6Confident72.6Confident135 Ų135102.6 Ų102.663%0.62557%0.568SS**Hα-helixtrans-68.6-43.2177.2-151.1-87.4000112L483 R484 Q485 A489 K490L483-H487 WeakPolarHBondContact O-CB 3.16Å; L483-H487 PolarHBondContact O-N 3.39Å; R484-H487 PolarHBondContact O-N 2.85Å; Q485-H487 VanDerWaalsContact C-N 3.3Å; Q485-H487 PolarHBondContact O-N 3.27Å; H487-A489 VanDerWaalsContact C-N 3.29Å; H487-A489 PolarHBondContact O-N 3.17Å; H487-K490 PolarHBondContact O-N 3.06Å
488S69.1Low71.6Confident92 Ų92105.8 Ų105.864%0.64358%0.579SS**Hα-helixtrans-65.8-28.6173.8-690000113.3R484 Q485 K490R484-S488 PolarHBondContact O-N 3.17Å; R484-S488 PolarHBondContact O-OG 2.9Å; Q485-S488 PolarHBondContact O-N 3.27Å; S488-K490 VanDerWaalsContact C-N 3.29Å
489A64.6Low70.4Confident81 Ų81112 Ų11267%0.66961%0.613SS**Hα-helixtrans-75.3-15.9174.600000113.8Q485 V486 H487Q485-A489 WeakPolarHBondContact O-CB 3.07Å; Q485-A489 PolarHBondContact O-N 3.41Å; V486-A489 PolarHBondContact O-N 2.61Å; H487-A489 VanDerWaalsContact C-N 3.29Å; H487-A489 PolarHBondContact O-N 3.17Å
490K61Low69.1Low168 Ų168112.9 Ų112.973%0.7362%0.619SS**THydrogen-bonded Turntrans-95.2-8.8178.8-78.8-175.4178.2-176.40114.3V486 H487 S488 P492V486-K490 PolarHBondContact O-N 3.23Å; H487-K490 PolarHBondContact O-N 3.06Å; S488-K490 VanDerWaalsContact C-N 3.29Å; K490-P492 WeakPolarHBondContact O-CD 3.35Å
491L55.5Low67.7Low120 Ų120115.9 Ų115.963%0.62863%0.633SS**SBendtrans-73.7121.2169.7-101.282.1000109.2S493L491-S493 PolarHBondContact O-N 3.19Å
492P49Very low66.2Low109 Ų109118.8 Ų118.871%0.70865%0.65SS**  trans-64.1132.9171.2-5.118.8000108.7K490 T494K490-P492 WeakPolarHBondContact O-CD 3.35Å; P492-T494 VanDerWaalsContact C-N 3.33Å; P492-T494 PolarHBondContact O-N 3.33Å
493S48.8Very low64.7Low118 Ų118124.2 Ų124.283%0.82568%0.681SS**  trans-64.696.6164.349.20000108.2L491 I495L491-S493 PolarHBondContact O-N 3.19Å; S493-I495 PolarHBondContact O-N 2.94Å
494T50.9Low62.9Low133 Ų133125.7 Ų125.782%0.81669%0.691SS**  trans-69.3107.2162.639.80000108.2P492P492-T494 VanDerWaalsContact C-N 3.33Å; P492-T494 PolarHBondContact O-N 3.33Å
495I41.3Very low61.1Low238 Ų238121.5 Ų121.5100%1.22170%0.695SS**  trans-112.40137.7-64.1178.1000105.4S493S493-I495 PolarHBondContact O-N 2.94Å

Retrieved 495 of 495 residues in 97.7 ms (Link to these results)

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