A0A087X315_POEFO Loading...

Cellular communication network factor 5

AlphaFold DB , UniProt , Accession A0A087X315, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 351 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
1M53.2Low64.6Low213 Ų213132.8 Ų132.8100%1.04966%0.66SS**  0-10.60-80.8153.771.300112.3R3M1-R3 PolarHBondContact O-N 3.18Å
2D58.2Low65.7Low130 Ų130125.8 Ų125.870%0.69564%0.638SS**Hα-helixtrans-78.4-19-171-51.2-74.3000117.5R6D2-R6 PolarHBondContact O-N 2.87Å
3R54.8Low66.5Low224 Ų224122.5 Ų122.585%0.84563%0.628SS**Hα-helixtrans-81.7-34.8-179.7-87.9-172.4179.6-172.30.5113.4M1 C7M1-R3 PolarHBondContact O-N 3.18Å; R3-C7 PolarHBondContact O-N 2.92Å
4L57.6Low67.1Low141 Ų141122.5 Ų122.574%0.73863%0.629SS**Hα-helixtrans-70.2-40178.8-140.978.2000109.8C7 V8L4-C7 PolarHBondContact O-N 3.15Å; L4-V8 VanDerWaalsContact O-CG2 3.29Å; L4-V8 WeakPolarHBondContact O-CG2 3.44Å; L4-V8 PolarHBondContact O-N 3.07Å
5D58.3Low67.4Low101 Ų101121.4 Ų121.454%0.5462%0.624SS.*Hα-helixtrans-65.2-43.3178.4-131.5-11.3000112.1C7 V8 I9D5-C7 VanDerWaalsContact C-N 3.33Å; D5-C7 PolarHBondContact O-N 2.95Å; D5-V8 PolarHBondContact O-N 3.32Å; D5-I9 WeakPolarHBondContact O-CD1 3.46Å; D5-I9 WeakPolarHBondContact O-CG1 3.5Å; D5-I9 PolarHBondContact O-N 3.07Å
6R62.9Low67.3Low193 Ų193118.5 Ų118.573%0.72862%0.616SS**Hα-helixtrans-61.6-38.3173.9-87176.181.21704.4113D2 T10D2-R6 PolarHBondContact O-N 2.87Å; R6-T10 WeakPolarHBondContact O-CG2 3.42Å; R6-T10 PolarHBondContact O-N 2.97Å; R6-T10 PolarHBondContact O-OG1 2.04Å
7C66.3Low67.1Low80 Ų80116 Ų11654%0.54161%0.607SS.*Hα-helixtrans-69.2-37.5176.5-82.30000112.5R3 L4 D5 T10 L11R3-C7 PolarHBondContact O-N 2.92Å; L4-C7 PolarHBondContact O-N 3.15Å; D5-C7 VanDerWaalsContact C-N 3.33Å; D5-C7 PolarHBondContact O-N 2.95Å; C7-T10 WeakPolarHBondContact CA-OG1 3.49Å; C7-T10 PolarHBondContact O-OG1 2.87Å; C7-T10 VanDerWaalsContact O-OG1 3.04Å; C7-L11 WeakPolarHBondContact O-CB 3.44Å; C7-L11 PolarHBondContact O-N 3.12Å
8V74.9Confident66.7Low90 Ų90112.4 Ų112.455%0.54560%0.597SS.*Hα-helixtrans-68.2-41.8177.31730000110.5L4 D5 L11 A12L4-V8 VanDerWaalsContact O-CG2 3.29Å; L4-V8 WeakPolarHBondContact O-CG2 3.44Å; L4-V8 PolarHBondContact O-N 3.07Å; D5-V8 PolarHBondContact O-N 3.32Å; V8-L11 PolarHBondContact O-N 2.04Å; V8-A12 VanDerWaalsContact O-CB 3.32Å; V8-A12 WeakPolarHBondContact O-CB 3.35Å; V8-A12 PolarHBondContact O-N 3.3Å
9I75.4Confident66.3Low99 Ų99110.7 Ų110.751%0.50859%0.592SS.*Hα-helixtrans-65.7-43.9177-64.5163.9000111D5 L11 A12 V13D5-I9 WeakPolarHBondContact O-CD1 3.46Å; D5-I9 WeakPolarHBondContact O-CG1 3.5Å; D5-I9 PolarHBondContact O-N 3.07Å; I9-L11 PolarHBondContact O-N 3.07Å; I9-A12 PolarHBondContact O-N 2.87Å; I9-V13 HydrophobicContact CG2-CG2 4.42Å; I9-V13 VanDerWaalsContact O-CG2 3.28Å; I9-V13 WeakPolarHBondContact O-CG2 3.15Å; I9-V13 PolarHBondContact O-N 3.16Å
10T73.8Confident65.7Low79 Ų79111.7 Ų111.749%0.48559%0.592SS.*Hα-helixtrans-66.3-37.5177.349.50000112.3R6 C7 V13 L14R6-T10 WeakPolarHBondContact O-CG2 3.42Å; R6-T10 PolarHBondContact O-N 2.97Å; R6-T10 PolarHBondContact O-OG1 2.04Å; C7-T10 WeakPolarHBondContact CA-OG1 3.49Å; C7-T10 PolarHBondContact O-OG1 2.87Å; C7-T10 VanDerWaalsContact O-OG1 3.04Å; T10-V13 PolarHBondContact O-N 2.83Å; T10-L14 WeakPolarHBondContact O-CB 3.15Å; T10-L14 PolarHBondContact O-N 3.32Å
11L75.4Confident65.1Low111 Ų111111.1 Ų111.158%0.58159%0.593SS**Hα-helixtrans-64.6-43.2173.9-130.398.8000111.6C7 V8 I9 L14 L15C7-L11 WeakPolarHBondContact O-CB 3.44Å; C7-L11 PolarHBondContact O-N 3.12Å; V8-L11 PolarHBondContact O-N 2.04Å; I9-L11 PolarHBondContact O-N 3.07Å; L11-L14 PolarHBondContact O-N 3.05Å; L11-L15 HydrophobicContact CD2-CD1 4.19Å; L11-L15 WeakPolarHBondContact O-CB 3.4Å; L11-L15 WeakPolarHBondContact O-CD1 3.37Å; L11-L15 WeakPolarHBondContact O-CG 3.01Å; L11-L15 PolarHBondContact O-N 3.49Å
12A77.1Confident64.8Low49 Ų49108.3 Ų108.341%0.40558%0.582SS.*Hα-helixtrans-64.4-41.3178.500000111.7V8 I9 L15 C16V8-A12 VanDerWaalsContact O-CB 3.32Å; V8-A12 WeakPolarHBondContact O-CB 3.35Å; V8-A12 PolarHBondContact O-N 3.3Å; I9-A12 PolarHBondContact O-N 2.87Å; A12-L15 PolarHBondContact O-N 3.14Å; A12-C16 WeakPolarHBondContact O-CB 3.27Å; A12-C16 PolarHBondContact O-N 3.37Å
13V77Confident64.3Low82 Ų82107 Ų10750%0.49758%0.581SS.*Hα-helixtrans-65.7-43.8174.6173.30000110.8I9 T10 L15 C16 V17I9-V13 HydrophobicContact CG2-CG2 4.42Å; I9-V13 VanDerWaalsContact O-CG2 3.28Å; I9-V13 WeakPolarHBondContact O-CG2 3.15Å; I9-V13 PolarHBondContact O-N 3.16Å; T10-V13 PolarHBondContact O-N 2.83Å; V13-L15 VanDerWaalsContact C-N 3.35Å; V13-L15 PolarHBondContact O-N 3.41Å; V13-C16 PolarHBondContact O-N 2.86Å; V13-V17 HydrophobicContact CG1-CG2 4.24Å; V13-V17 WeakPolarHBondContact O-CB 3.04Å; V13-V17 WeakPolarHBondContact O-CG2 3.07Å; V13-V17 PolarHBondContact O-N 3.35Å
14L74.9Confident64.1Low123 Ų123102.6 Ų102.664%0.64457%0.57SS**Hα-helixtrans-61.9-40.1175.1-95.9150.7000112.5T10 L11 V17 A18T10-L14 WeakPolarHBondContact O-CB 3.15Å; T10-L14 PolarHBondContact O-N 3.32Å; L11-L14 PolarHBondContact O-N 3.05Å; L14-V17 PolarHBondContact O-N 3.39Å; L14-A18 WeakPolarHBondContact O-CB 3.41Å; L14-A18 PolarHBondContact O-N 3.01Å
15L71.3Confident64.1Low106 Ų106101.9 Ų101.956%0.55557%0.567SS**Hα-helixtrans-66.4-41174.2-86154.5000112L11 A12 V13 T19L11-L15 HydrophobicContact CD2-CD1 4.19Å; L11-L15 WeakPolarHBondContact O-CB 3.4Å; L11-L15 WeakPolarHBondContact O-CD1 3.37Å; L11-L15 WeakPolarHBondContact O-CG 3.01Å; L11-L15 PolarHBondContact O-N 3.49Å; A12-L15 PolarHBondContact O-N 3.14Å; V13-L15 VanDerWaalsContact C-N 3.35Å; V13-L15 PolarHBondContact O-N 3.41Å; L15-T19 WeakPolarHBondContact O-CB 3.4Å; L15-T19 VanDerWaalsContact O-CG2 3.3Å; L15-T19 WeakPolarHBondContact O-CG2 3.06Å; L15-T19 PolarHBondContact O-N 2.76Å; L15-T19 PolarHBondContact O-OG1 2.85Å
16C66.4Low64.5Low75 Ų7599.6 Ų99.651%0.50756%0.558SS.*Hα-helixtrans-64.7-42173.9-84.30000112.2A12 V13 T19 Q20A12-C16 WeakPolarHBondContact O-CB 3.27Å; A12-C16 PolarHBondContact O-N 3.37Å; V13-C16 PolarHBondContact O-N 2.86Å; C16-T19 VanDerWaalsContact CA-OG1 3.29Å; C16-T19 WeakPolarHBondContact CA-OG1 3.4Å; C16-T19 PolarHBondContact O-OG1 3.32Å; C16-Q20 WeakPolarHBondContact O-CB 3.38Å; C16-Q20 VanDerWaalsContact O-CG 3.31Å; C16-Q20 WeakPolarHBondContact O-CG 3.46Å; C16-Q20 PolarHBondContact O-N 2.78Å
17V62.8Low64.7Low76 Ų7696.7 Ų96.746%0.46156%0.557SS.*Hα-helixtrans-69.7-41.7177.5176.50000110.3V13 L14 T19 Q20 V21V13-V17 HydrophobicContact CG1-CG2 4.24Å; V13-V17 WeakPolarHBondContact O-CB 3.04Å; V13-V17 WeakPolarHBondContact O-CG2 3.07Å; V13-V17 PolarHBondContact O-N 3.35Å; L14-V17 PolarHBondContact O-N 3.39Å; V17-T19 PolarHBondContact O-N 2.89Å; V17-Q20 PolarHBondContact O-N 3.19Å; V17-V21 HydrophobicContact CG1-CG2 4.45Å; V17-V21 VanDerWaalsContact O-CG2 3.25Å; V17-V21 WeakPolarHBondContact O-CG2 3.35Å; V17-V21 PolarHBondContact O-N 2Å
18A60.3Low64.9Low52 Ų52102.4 Ų102.443%0.4357%0.567SS.*Hα-helixtrans-64.1-39176.300000112.5L14 V21 L22L14-A18 WeakPolarHBondContact O-CB 3.41Å; L14-A18 PolarHBondContact O-N 3.01Å; A18-V21 PolarHBondContact O-N 3.31Å; A18-L22 PolarHBondContact O-N 3.16Å
19T58.3Low64.9Low80 Ų80103.7 Ų103.749%0.49158%0.577SS.*Hα-helixtrans-69.3-34.4173.6470000112.3L15 C16 V17 L22 C23L15-T19 WeakPolarHBondContact O-CB 3.4Å; L15-T19 VanDerWaalsContact O-CG2 3.3Å; L15-T19 WeakPolarHBondContact O-CG2 3.06Å; L15-T19 PolarHBondContact O-N 2.76Å; L15-T19 PolarHBondContact O-OG1 2.85Å; C16-T19 VanDerWaalsContact CA-OG1 3.29Å; C16-T19 WeakPolarHBondContact CA-OG1 3.4Å; C16-T19 PolarHBondContact O-OG1 3.32Å; V17-T19 PolarHBondContact O-N 2.89Å; T19-L22 PolarHBondContact O-N 2.99Å; T19-C23 PolarHBondContact O-N 3.27Å
20Q55Low64.9Low129 Ų129100.9 Ų100.960%0.60357%0.566SS**Hα-helixtrans-67.8-33.4171.1-76.8-172.60.500113.1C16 V17 Q24C16-Q20 WeakPolarHBondContact O-CB 3.38Å; C16-Q20 VanDerWaalsContact O-CG 3.31Å; C16-Q20 WeakPolarHBondContact O-CG 3.46Å; C16-Q20 PolarHBondContact O-N 2.78Å; V17-Q20 PolarHBondContact O-N 3.19Å; Q20-Q24 VanDerWaalsContact O-CG 3.31Å; Q20-Q24 WeakPolarHBondContact O-CG 3.4Å; Q20-Q24 PolarHBondContact O-NE2 2.84Å
21V53.6Low65.2Low101 Ų101105.1 Ų105.161%0.61259%0.585SS**Hα-helixtrans-74.5-34.1175.41740000111.5V17 A18 C23V17-V21 HydrophobicContact CG1-CG2 4.45Å; V17-V21 VanDerWaalsContact O-CG2 3.25Å; V17-V21 WeakPolarHBondContact O-CG2 3.35Å; V17-V21 PolarHBondContact O-N 2Å; A18-V21 PolarHBondContact O-N 3.31Å; V21-C23 PolarHBondContact O-N 2.92Å
22L46.5Very low65.4Low154 Ų154102.7 Ų102.781%0.80658%0.577SS**Hα-helixtrans-69-17.4174.3-120.475.3000113.6A18 T19A18-L22 PolarHBondContact O-N 3.16Å; T19-L22 PolarHBondContact O-N 2.99Å
23C48.2Very low65.2Low101 Ų101104.6 Ų104.668%0.68258%0.584SS**THydrogen-bonded Turntrans-104.514.3-176-95.70000115T19 V21 L25T19-C23 PolarHBondContact O-N 3.27Å; V21-C23 PolarHBondContact O-N 2.92Å; C23-L25 PolarHBondContact O-N 3.17Å
24Q50.2Low64.5Low132 Ų132106.2 Ų106.262%0.61761%0.606SS**THydrogen-bonded Turntrans-84.810.3-173.3-68.6-63.2-40.700116.8Q20Q20-Q24 VanDerWaalsContact O-CG 3.31Å; Q20-Q24 WeakPolarHBondContact O-CG 3.4Å; Q20-Q24 PolarHBondContact O-NE2 2.84Å
25L57.2Low63.9Low127 Ų127104.8 Ų104.867%0.66561%0.607SS**THydrogen-bonded Turntrans-76.8-27.6177.6-95.686.2000113.7C23 E66C23-L25 PolarHBondContact O-N 3.17Å; L25-E66 WeakPolarHBondContact CD2-OE2 3.48Å
26C67.3Low63.4Low52 Ų52102 Ų10235%0.35159%0.594SS.*SBendtrans-123.8108.8-176.2-67.40000110.7C50C26-C50 VanDerWaalsContact CA-SG 3.53Å; C26-C50 HydrophobicContact CB-CB 3.78Å; C26-C50 WeakPolarHBondContact CB-SG 3.37Å; C26-C50 WeakPolarHBondContact SG-CA 3.31Å; C26-C50 WeakPolarHBondContact SG-CB 3.05Å; C26-C50 CovalentContact SG-SG 2.04Å; C26-C50 PolarHBondContact SG-SG 2.93Å
27N68Low62.9Low133 Ų133103.4 Ų103.471%0.71161%0.605SS**  trans-71.9130.2177.9-143.54.4000109.8
28R69.6Low63.5Low200 Ų200108.3 Ų108.376%0.75562%0.623SS**SBendtrans-121.8129.6172.4-72.3-163173.3-164.9-1.8109.1
29P73.9Confident64.5Low116 Ų116107 Ų10775%0.75361%0.61SS**SBendcis-76149.2730.8-34.6000113.6
30C77.1Confident65.8Low41 Ų41106.6 Ų106.628%0.27762%0.615SS.*  trans-78.7135.8-179.6-45.20000110.8C52C30-C52 HydrophobicContact CB-CB 3.67Å; C30-C52 WeakPolarHBondContact CB-SG 3.35Å; C30-C52 WeakPolarHBondContact SG-CB 3.32Å; C30-C52 CovalentContact SG-SG 2Å; C30-C52 PolarHBondContact SG-SG 2.91Å
31L79.4Confident67.3Low168 Ų168105.7 Ų105.788%0.8863%0.629SS**  trans-10289.4176.5-66.9167.4000108.6
32C78.7Confident68.8Low60 Ų60103.8 Ų103.841%0.40563%0.63SS.*  trans-88.7136.7179.9-54.60000111A34 C53C32-A34 PolarHBondContact O-N 2.87Å; C32-C53 WeakPolarHBondContact CA-SG 3.3Å; C32-C53 HydrophobicContact CB-CB 3.81Å; C32-C53 WeakPolarHBondContact CB-SG 3.11Å; C32-C53 WeakPolarHBondContact SG-CA 3.38Å; C32-C53 WeakPolarHBondContact SG-CB 3.46Å; C32-C53 CovalentContact SG-SG 2.04Å; C32-C53 PolarHBondContact SG-SG 3.31Å
33P72.7Confident70.9Confident88 Ų8897.7 Ų97.757%0.57160%0.599SS**  trans-61.2131.7172.622.6-28.9000110S35 V36P33-S35 PolarHBondContact O-N 2.91Å; P33-S35 VanDerWaalsContact O-N 3.14Å; P33-V36 HydrophobicContact CG-CG2 4.23Å
34A64.1Low72.9Confident116 Ų11694.2 Ų94.296%0.95958%0.575SS**SBendtrans-67.2-13.3-17400000114C32C32-A34 PolarHBondContact O-N 2.87Å
35S62.2Low74.8Confident94 Ų9491.6 Ų91.666%0.65757%0.565SS**  trans-123.387.3-177.361.40000111.6P33P33-S35 PolarHBondContact O-N 2.91Å; P33-S35 VanDerWaalsContact O-N 3.14Å
36V59.7Low76.4Confident48 Ų4887 Ų8729%0.29154%0.542SS..  trans-115.259.6159.3-159.90000106.8P33 L45 Q54P33-V36 HydrophobicContact CG-CG2 4.23Å; V36-L45 HydrophobicContact CB-CD2 4.26Å; V36-L45 HydrophobicContact CG1-CD2 3.91Å; V36-Q54 WeakPolarHBondContact CG2-O 3.48Å
37S56.8Low77.4Confident103 Ų10387.6 Ų87.672%0.7255%0.545SS*.  trans-85.4-26.9-161.645.70000114.1
38Q74.1Confident78.3Confident180 Ų18081.9 Ų81.984%0.84152%0.515SS*.  trans-150.3110.7175.4-65.4-178-0.400110.3
39C82.4Confident78.6Confident23 Ų2374.7 Ų74.716%0.15550%0.504CS..PPolyproline II helixtrans-68.4158.6163.7-58.20000109.6V43 C56C39-V43 HydrophobicContact CB-CB 3.97Å; C39-V43 HydrophobicContact CB-CG1 4.01Å; C39-V43 VanDerWaalsContact CB-O 3.27Å; C39-V43 WeakPolarHBondContact CB-O 2.85Å; C39-C56 WeakPolarHBondContact CA-SG 3.41Å; C39-C56 HydrophobicContact CB-CB 3.86Å; C39-C56 WeakPolarHBondContact CB-SG 3.37Å; C39-C56 WeakPolarHBondContact SG-CA 3.04Å; C39-C56 WeakPolarHBondContact SG-CB 3.48Å; C39-C56 CovalentContact SG-SG 2.04Å; C39-C56 PolarHBondContact SG-SG 3.17Å
40A86.1Confident79Confident73 Ų7370.3 Ų70.360%0.60348%0.475SS*.PPolyproline II helixtrans-54.1154174.600000111.1G42 V43A40-G42 PolarHBondContact O-N 3.04Å; A40-V43 HydrophobicContact CB-CG2 4.07Å; A40-V43 WeakPolarHBondContact O-CB 3.31Å; A40-V43 PolarHBondContact O-N 3.36Å
41A85.8Confident79.2Confident109 Ų10978.7 Ų78.790%0.90150%0.501SS*.THydrogen-bonded Turntrans-54.7125.2-178.500000111.2
42G84.9Confident79.4Confident61 Ų6173.2 Ų73.263%0.62948%0.476SS*.THydrogen-bonded Turntrans79.315.2-178.200000115.2A40 K74A40-G42 PolarHBondContact O-N 3.04Å; G42-K74 WeakPolarHBondContact O-CE 3.25Å; G42-K74 PolarHBondContact O-NZ 3.03Å
43V90.8Very high79.6Confident27 Ų2771 Ų7116%0.16446%0.462CS..  trans-110.1120.9170.6179.20000109.6C39 A40 C56 A57 Q59C39-V43 HydrophobicContact CB-CB 3.97Å; C39-V43 HydrophobicContact CB-CG1 4.01Å; C39-V43 VanDerWaalsContact CB-O 3.27Å; C39-V43 WeakPolarHBondContact CB-O 2.85Å; A40-V43 HydrophobicContact CB-CG2 4.07Å; A40-V43 WeakPolarHBondContact O-CB 3.31Å; A40-V43 PolarHBondContact O-N 3.36Å; V43-C56 HydrophobicContact CG1-CB 4.17Å; V43-A57 HydrophobicContact CG1-CB 4.4Å; V43-A57 WeakPolarHBondContact CG1-O 2.94Å; V43-Q59 HydrophobicContact CG2-CG 3.86Å
44P90.6Very high80.3Confident27 Ų2771.6 Ų71.618%0.17546%0.457CS..  trans-78.3154.318030.6-32.8000112.4V46 A57 D71P44-V46 HydrophobicContact CG-CG1 4.45Å; P44-A57 HydrophobicContact CG-CB 3.91Å; P44-A57 WeakPolarHBondContact O-CB 3.3Å; P44-A57 PolarHBondContact O-N 2.03Å; P44-D71 WeakPolarHBondContact CD-OD2 2.99Å; P44-D71 WeakPolarHBondContact CG-OD1 3.05Å
45L90.1Very high81.5Confident77 Ų7767.2 Ų67.240%0.40342%0.418SS..EExtended strand (participates in β ladder)trans-79.6131161.6-91.8116.5000109.5V36 Q54 V55V36-L45 HydrophobicContact CB-CD2 4.26Å; V36-L45 HydrophobicContact CG1-CD2 3.91Å; L45-Q54 HydrophobicContact CD2-CB 3.56Å; L45-V55 WeakPolarHBondContact CA-O 3.49Å
46V89.9Confident82.8Confident31 Ų3164.8 Ų64.819%0.18840%0.4CS..EExtended strand (participates in β ladder)trans-132.3148.8179.6-66.70000110P44 V55 A57 P69P44-V46 HydrophobicContact CG-CG1 4.45Å; V46-V55 HydrophobicContact CG2-CG2 4.39Å; V46-V55 PolarHBondContact N-O 3.11Å; V46-V55 WeakPolarHBondContact O-CG2 3.26Å; V46-V55 PolarHBondContact O-N 3.48Å; V46-V55 VanDerWaalsContact O-O 3.07Å; V46-A57 HydrophobicContact CG1-CB 4Å; V46-A57 HydrophobicContact CG2-CB 3.67Å; V46-P69 HydrophobicContact CG2-CG 3.65Å
47P88.6Confident84.4Confident64 Ų6462.6 Ų62.642%0.41639%0.387SS..EExtended strand (participates in β ladder)trans-67.5143.3174.227.8-33.7000111.1C53P47-C53 WeakPolarHBondContact CA-O 3.39Å
48D86.1Confident86.1Confident13 Ų1360.8 Ų60.87%0.0737%0.365CS..  trans-61.9171.9169.267.98.9000112.6C50 R51 C52 C53 V55 M67D48-C50 PolarHBondContact O-N 3.33Å; D48-C50 PolarHBondContact OD1-N 3Å; D48-R51 WeakPolarHBondContact O-CA 3.42Å; D48-R51 PolarHBondContact O-N 3.27Å; D48-R51 WeakPolarHBondContact OD1-CA 3.38Å; D48-R51 PolarHBondContact OD1-N 3.26Å; D48-C52 PolarHBondContact OD1-N 3.1Å; D48-C53 PolarHBondContact N-O 2.76Å; D48-C53 PolarHBondContact OD1-N 3.33Å; D48-C53 VanDerWaalsContact OD2-CB 3.31Å; D48-C53 WeakPolarHBondContact OD2-CB 3.27Å; D48-C53 PolarHBondContact OD2-N 2.04Å; D48-C53 VanDerWaalsContact OD2-N 3.12Å; D48-V55 HydrophobicContact CB-CG2 4.46Å; D48-M67 HydrophobicContact CB-SD 4.43Å
49G77.2Confident87.1Confident50 Ų5053.9 Ų53.952%0.51533%0.332SS..THydrogen-bonded Turntrans-60.2-26.2-179.300000114.5R51 E66G49-R51 VanDerWaalsContact C-N 3.28Å; G49-E66 WeakPolarHBondContact CA-O 3.03Å; G49-E66 PolarHBondContact N-O 2.82Å
50C81.3Confident87.6Confident24 Ų2460.7 Ų60.716%0.16236%0.355CS..THydrogen-bonded Turntrans-84.1-2.1173.6-65.70000113.5C26 D48 C52 M67C26-C50 VanDerWaalsContact CA-SG 3.53Å; C26-C50 HydrophobicContact CB-CB 3.78Å; C26-C50 WeakPolarHBondContact CB-SG 3.37Å; C26-C50 WeakPolarHBondContact SG-CA 3.31Å; C26-C50 WeakPolarHBondContact SG-CB 3.05Å; C26-C50 CovalentContact SG-SG 2.04Å; C26-C50 PolarHBondContact SG-SG 2.93Å; D48-C50 PolarHBondContact O-N 3.33Å; D48-C50 PolarHBondContact OD1-N 3Å; C50-C52 HydrophobicContact CB-CB 4.43Å; C50-C52 PolarHBondContact O-N 3.49Å; C50-M67 WeakPolarHBondContact SG-CE 3.21Å
51R82.1Confident87.8Confident216 Ų21659.1 Ų59.182%0.81535%0.346SS*.SBendtrans5339.5-175.5-58.5-177.7178.5175.7-0.4113.2D48 G49D48-R51 WeakPolarHBondContact O-CA 3.42Å; D48-R51 PolarHBondContact O-N 3.27Å; D48-R51 WeakPolarHBondContact OD1-CA 3.38Å; D48-R51 PolarHBondContact OD1-N 3.26Å; G49-R51 VanDerWaalsContact C-N 3.28Å
52C83.4Confident88.1Confident54 Ų5457.7 Ų57.737%0.36532%0.32SS..  trans-118.5-51.9-173.1-145.90000112.7C30 D48 C50C30-C52 HydrophobicContact CB-CB 3.67Å; C30-C52 WeakPolarHBondContact CB-SG 3.35Å; C30-C52 WeakPolarHBondContact SG-CB 3.32Å; C30-C52 CovalentContact SG-SG 2Å; C30-C52 PolarHBondContact SG-SG 2.91Å; D48-C52 PolarHBondContact OD1-N 3.1Å; C50-C52 HydrophobicContact CB-CB 4.43Å; C50-C52 PolarHBondContact O-N 3.49Å
53C83.6Confident88.5Confident14 Ų1458.2 Ų58.210%0.09531%0.313CS..SBendtrans-100.3143.2178.7-550000111C32 P47 D48C32-C53 WeakPolarHBondContact CA-SG 3.3Å; C32-C53 HydrophobicContact CB-CB 3.81Å; C32-C53 WeakPolarHBondContact CB-SG 3.11Å; C32-C53 WeakPolarHBondContact SG-CA 3.38Å; C32-C53 WeakPolarHBondContact SG-CB 3.46Å; C32-C53 CovalentContact SG-SG 2.04Å; C32-C53 PolarHBondContact SG-SG 3.31Å; P47-C53 WeakPolarHBondContact CA-O 3.39Å; D48-C53 PolarHBondContact N-O 2.76Å; D48-C53 PolarHBondContact OD1-N 3.33Å; D48-C53 VanDerWaalsContact OD2-CB 3.31Å; D48-C53 WeakPolarHBondContact OD2-CB 3.27Å; D48-C53 PolarHBondContact OD2-N 2.04Å; D48-C53 VanDerWaalsContact OD2-N 3.12Å
54Q87Confident88.6Confident99 Ų9957 Ų5746%0.46331%0.305SS..EExtended strand (participates in β ladder)trans-86.1127.4171.5-70.7-71.5-15.200108.7V36 L45V36-Q54 WeakPolarHBondContact CG2-O 3.48Å; L45-Q54 HydrophobicContact CD2-CB 3.56Å
55V88Confident88.5Confident25 Ų2557.4 Ų57.415%0.15231%0.309CS..EExtended strand (participates in β ladder)trans-132.3155.9-177.9-63.80000110.1L45 V46 D48 A57 P69L45-V55 WeakPolarHBondContact CA-O 3.49Å; V46-V55 HydrophobicContact CG2-CG2 4.39Å; V46-V55 PolarHBondContact N-O 3.11Å; V46-V55 WeakPolarHBondContact O-CG2 3.26Å; V46-V55 PolarHBondContact O-N 3.48Å; V46-V55 VanDerWaalsContact O-O 3.07Å; D48-V55 HydrophobicContact CB-CG2 4.46Å; V55-A57 PolarHBondContact O-N 3Å; V55-P69 HydrophobicContact CG2-CG 4.2Å
56C90.3Very high88.2Confident42 Ų4260.2 Ų60.228%0.28432%0.32SS..EExtended strand (participates in β ladder)trans-71131.3173.9-62.10000110.5C39 V43 R58C39-C56 WeakPolarHBondContact CA-SG 3.41Å; C39-C56 HydrophobicContact CB-CB 3.86Å; C39-C56 WeakPolarHBondContact CB-SG 3.37Å; C39-C56 WeakPolarHBondContact SG-CA 3.04Å; C39-C56 WeakPolarHBondContact SG-CB 3.48Å; C39-C56 CovalentContact SG-SG 2.04Å; C39-C56 PolarHBondContact SG-SG 3.17Å; V43-C56 HydrophobicContact CG1-CB 4.17Å; C56-R58 PolarHBondContact O-N 2.77Å
57A92.8Very high87.9Confident2 Ų263 Ų632%0.01733%0.332CS..PPolyproline II helixtrans-65129.117900000111V43 P44 V46 V55 Q59 D71V43-A57 HydrophobicContact CG1-CB 4.4Å; V43-A57 WeakPolarHBondContact CG1-O 2.94Å; P44-A57 HydrophobicContact CG-CB 3.91Å; P44-A57 WeakPolarHBondContact O-CB 3.3Å; P44-A57 PolarHBondContact O-N 2.03Å; V46-A57 HydrophobicContact CG1-CB 4Å; V46-A57 HydrophobicContact CG2-CB 3.67Å; V55-A57 PolarHBondContact O-N 3Å; A57-Q59 PolarHBondContact O-NE2 2.69Å; A57-D71 HydrophobicContact CB-CB 3.7Å
58R93.5Very high87.9Confident66 Ų6662.5 Ų62.525%0.24933%0.326CS..BIsolated β-bridgetrans-69.8137.6-179.1-64.2-65.3171.5124-15.3111.4C56 E62 P63 L68 P69 C70 D71 C91C56-R58 PolarHBondContact O-N 2.77Å; R58-E62 VanDerWaalsContact CA-OE2 3.3Å; R58-E62 WeakPolarHBondContact CA-OE2 3.37Å; R58-E62 HydrophobicContact CB-CB 4.26Å; R58-E62 WeakPolarHBondContact CD-OE2 3.47Å; R58-P63 PolarHBondContact NH1-O 2.82Å; R58-L68 HydrophobicContact CG-CB 4.24Å; R58-P69 PolarHBondContact N-O 2.92Å; R58-C70 CarbonylContact O-C 3.57Å; R58-C70 WeakPolarHBondContact O-CA 3.36Å; R58-D71 PolarHBondContact O-N 3.44Å; R58-C91 WeakPolarHBondContact CB-SG 3.3Å
59Q94.1Very high88.1Confident34 Ų3463.5 Ų63.516%0.15933%0.333CS..PPolyproline II helixtrans-95.5169.8-176.7-57.2-60.7-63.400110.9V43 A57 G61 E62 D71 C91V43-Q59 HydrophobicContact CG2-CG 3.86Å; A57-Q59 PolarHBondContact O-NE2 2.69Å; Q59-G61 PolarHBondContact O-N 3.2Å; Q59-E62 HydrophobicContact CB-CG 4.33Å; Q59-E62 PolarHBondContact N-OE2 3.28Å; Q59-E62 VanDerWaalsContact O-CB 3.26Å; Q59-E62 WeakPolarHBondContact O-CB 3.05Å; Q59-E62 WeakPolarHBondContact O-CG 3.43Å; Q59-E62 PolarHBondContact O-N 2.92Å; Q59-D71 PolarHBondContact NE2-OD2 3.01Å; Q59-C91 WeakPolarHBondContact O-CB 3.16Å
60R92.6Very high88.9Confident166 Ų16661.6 Ų61.663%0.62631%0.311SS*.THydrogen-bonded Turntrans-54.8129.2-176.2-172.5-179.5-174.1-85.5-5.3111.4E62 L76 C91 D93 D96R60-E62 VanDerWaalsContact C-N 3.28Å; R60-E62 PolarHBondContact O-N 3.49Å; R60-L76 HydrophobicContact CB-CD1 4.18Å; R60-L76 HydrophobicContact CB-CD2 3.97Å; R60-L76 HydrophobicContact CG-CD2 4.29Å; R60-L76 VanDerWaalsContact N-CD1 3.27Å; R60-C91 CarbonylContact C-O 3.58Å; R60-C91 WeakPolarHBondContact CA-O 3.29Å; R60-D93 WeakPolarHBondContact CD-OD2 3.25Å; R60-D93 IonicContact CZ-OD2 3.8Å; R60-D93 IonicContact NE-OD2 3.47Å; R60-D93 PolarHBondContact NE-OD2 3.48Å; R60-D93 IonicContact NH2-OD2 3.38Å; R60-D96 IonicContact NH2-OD2 2.71Å
61G90.4Very high89.5Confident40 Ų4060.5 Ų60.541%0.41230%0.304SS..THydrogen-bonded Turntrans80.9-2.5-178.200000115.2Q59 E90 C91Q59-G61 PolarHBondContact O-N 3.2Å; G61-E90 WeakPolarHBondContact CA-OE1 3.01Å; G61-C91 PolarHBondContact N-O 2.74Å
62E93.6Very high89.8Confident79 Ų7959 Ų5937%0.36930%0.298SS..SBendtrans-82.3148.9176.3-65-171.4147.300111.9R58 Q59 R60 C64 C91R58-E62 VanDerWaalsContact CA-OE2 3.3Å; R58-E62 WeakPolarHBondContact CA-OE2 3.37Å; R58-E62 HydrophobicContact CB-CB 4.26Å; R58-E62 WeakPolarHBondContact CD-OE2 3.47Å; Q59-E62 HydrophobicContact CB-CG 4.33Å; Q59-E62 PolarHBondContact N-OE2 3.28Å; Q59-E62 VanDerWaalsContact O-CB 3.26Å; Q59-E62 WeakPolarHBondContact O-CB 3.05Å; Q59-E62 WeakPolarHBondContact O-CG 3.43Å; Q59-E62 PolarHBondContact O-N 2.92Å; R60-E62 VanDerWaalsContact C-N 3.28Å; R60-E62 PolarHBondContact O-N 3.49Å; E62-C64 PolarHBondContact O-N 3.2Å; E62-C91 PolarHBondContact O-N 2.91Å
63P93Very high90.1Very high72 Ų7264.4 Ų64.447%0.46832%0.318SS..EExtended strand (participates in β ladder)trans-67.7132.8174.627.8-33.6000110.4R58 P88 G89R58-P63 PolarHBondContact NH1-O 2.82Å; P63-P88 HydrophobicContact CB-CB 4.2Å; P63-G89 CarbonylContact C-O 3.14Å; P63-G89 VanDerWaalsContact CA-O 3.25Å; P63-G89 WeakPolarHBondContact CA-O 3.32Å
64C92.2Very high90.4Very high1 Ų168.7 Ų68.71%0.00734%0.335CS..EExtended strand (participates in β ladder)trans-127158.6-178.157.10000112E62 L68 C70 C78 P88 G89 E90 C91E62-C64 PolarHBondContact O-N 3.2Å; C64-L68 WeakPolarHBondContact CA-O 3.32Å; C64-L68 WeakPolarHBondContact CB-O 3.47Å; C64-C70 VanDerWaalsContact SG-SG 3.63Å; C64-C78 VanDerWaalsContact C-SG 3.58Å; C64-C78 HydrophobicContact CB-CB 3.91Å; C64-C78 WeakPolarHBondContact CB-SG 3.37Å; C64-C78 WeakPolarHBondContact SG-CA 3.17Å; C64-C78 WeakPolarHBondContact SG-CB 3.5Å; C64-C78 CovalentContact SG-SG 2.02Å; C64-C78 PolarHBondContact SG-SG 2.03Å; C64-P88 CarbonylContact O-C 3.53Å; C64-P88 WeakPolarHBondContact O-CA 3.4Å; C64-G89 PolarHBondContact N-O 3.37Å; C64-G89 PolarHBondContact O-N 3.42Å; C64-E90 PolarHBondContact SG-N 3.37Å; C64-E90 VanDerWaalsContact SG-N 3.41Å; C64-C91 VanDerWaalsContact CB-SG 3.54Å
65S88.9Confident90.5Very high37 Ų3765.1 Ų65.126%0.25933%0.325SS..BIsolated β-bridgetrans-152.3176.6176.369.50000109.1M67 L68S65-M67 PolarHBondContact O-N 2.83Å; S65-M67 PolarHBondContact OG-N 2.02Å; S65-L68 PolarHBondContact N-O 2.85Å; S65-L68 VanDerWaalsContact N-O 3.11Å; S65-L68 CarbonylContact O-C 3.6Å; S65-L68 PolarHBondContact O-N 3.41Å; S65-L68 VanDerWaalsContact O-O 3.07Å; S65-L68 PolarHBondContact OG-N 2.82Å
66E83.3Confident90.6Very high135 Ų13564.2 Ų64.263%0.63132%0.319SS*.THydrogen-bonded Turntrans-56.7-33173.5-66.5-171.5172.700112.3L25 G49L25-E66 WeakPolarHBondContact CD2-OE2 3.48Å; G49-E66 WeakPolarHBondContact CA-O 3.03Å; G49-E66 PolarHBondContact N-O 2.82Å
67M83.6Confident90.6Very high89 Ų8965.1 Ų65.144%0.43832%0.319SS..THydrogen-bonded Turntrans-83.3-16.3177-64-63.4-159.200113.5D48 C50 S65 P69D48-M67 HydrophobicContact CB-SD 4.43Å; C50-M67 WeakPolarHBondContact SG-CE 3.21Å; S65-M67 PolarHBondContact O-N 2.83Å; S65-M67 PolarHBondContact OG-N 2.02Å; M67-P69 WeakPolarHBondContact O-CD 3.47Å
68L89.2Confident90.5Very high55 Ų5566.2 Ų66.229%0.28833%0.327SS..BIsolated β-bridgetrans-127.376.1-176.8-65.9170.8000109.5R58 C64 S65R58-L68 HydrophobicContact CG-CB 4.24Å; C64-L68 WeakPolarHBondContact CA-O 3.32Å; C64-L68 WeakPolarHBondContact CB-O 3.47Å; S65-L68 PolarHBondContact N-O 2.85Å; S65-L68 VanDerWaalsContact N-O 3.11Å; S65-L68 CarbonylContact O-C 3.6Å; S65-L68 PolarHBondContact O-N 3.41Å; S65-L68 VanDerWaalsContact O-O 3.07Å; S65-L68 PolarHBondContact OG-N 2.82Å
69P91.1Very high90.3Very high33 Ų3364.8 Ų64.821%0.21432%0.324CS..  trans-74.1151.4-174.130.7-36.2000112.9V46 V55 R58 M67V46-P69 HydrophobicContact CG2-CG 3.65Å; V55-P69 HydrophobicContact CG2-CG 4.2Å; R58-P69 PolarHBondContact N-O 2.92Å; M67-P69 WeakPolarHBondContact O-CD 3.47Å
70C93.1Very high89.9Confident10 Ų1067.3 Ų67.37%0.06833%0.334CS..BIsolated β-bridgetrans-75.8159.2175.1-55.50000113.1R58 C64 R72 L76 C78 C91R58-C70 CarbonylContact O-C 3.57Å; R58-C70 WeakPolarHBondContact O-CA 3.36Å; C64-C70 VanDerWaalsContact SG-SG 3.63Å; C70-R72 PolarHBondContact O-N 3.33Å; C70-L76 HydrophobicContact CB-CB 3.88Å; C70-C78 PolarHBondContact SG-N 2.91Å; C70-C91 VanDerWaalsContact CA-SG 3.57Å; C70-C91 HydrophobicContact CB-CB 3.88Å; C70-C91 WeakPolarHBondContact CB-SG 3.39Å; C70-C91 WeakPolarHBondContact SG-CA 3.49Å; C70-C91 WeakPolarHBondContact SG-CB 3.03Å; C70-C91 CovalentContact SG-SG 2.03Å; C70-C91 PolarHBondContact SG-SG 2.89Å
71D94Very high89.2Confident1 Ų162.7 Ų62.71%0.00533%0.328CS..  trans-73.792.1177.7-170.3-8.3000112.7P44 A57 R58 Q59 Q73 K74 L76P44-D71 WeakPolarHBondContact CD-OD2 2.99Å; P44-D71 WeakPolarHBondContact CG-OD1 3.05Å; A57-D71 HydrophobicContact CB-CB 3.7Å; R58-D71 PolarHBondContact O-N 3.44Å; Q59-D71 PolarHBondContact NE2-OD2 3.01Å; D71-Q73 PolarHBondContact O-N 2.87Å; D71-Q73 WeakPolarHBondContact OD1-CB 3.39Å; D71-Q73 PolarHBondContact OD1-N 3.22Å; D71-K74 PolarHBondContact O-N 3.41Å; D71-K74 VanDerWaalsContact O-N 3.15Å; D71-K74 WeakPolarHBondContact OD2-CD 3.42Å; D71-K74 WeakPolarHBondContact OD2-CE 3.26Å; D71-K74 IonicContact OD2-NZ 3.84Å; D71-L76 HydrophobicContact CB-CD1 4.25Å; D71-L76 WeakPolarHBondContact O-CB 3.46Å; D71-L76 PolarHBondContact O-N 2.92Å; D71-L76 VanDerWaalsContact O-N 3.16Å
72R89Confident88.6Confident185 Ų18565.4 Ų65.470%0.69835%0.346SS*.G310 helixtrans-65.2-22.1177.2-74.3-167158.2141.2-0.7114.3C70 K74 G75C70-R72 PolarHBondContact O-N 3.33Å; R72-K74 PolarHBondContact O-N 3.33Å; R72-G75 PolarHBondContact O-N 3.21Å; R72-G75 VanDerWaalsContact O-N 3.07Å
73Q89.4Confident87.9Confident167 Ų16763.4 Ų63.478%0.7834%0.341SS*.G310 helixtrans-68.1-23.4176.4-63.6-174-10.900111.4D71D71-Q73 PolarHBondContact O-N 2.87Å; D71-Q73 WeakPolarHBondContact OD1-CB 3.39Å; D71-Q73 PolarHBondContact OD1-N 3.22Å
74K89.9Confident87.3Confident105 Ų10568.6 Ų68.646%0.45736%0.357SS..G310 helixtrans-96.18.6173.4-63.1-177.3-172.2171.40113.3G42 D71 R72 L76G42-K74 WeakPolarHBondContact O-CE 3.25Å; G42-K74 PolarHBondContact O-NZ 3.03Å; D71-K74 PolarHBondContact O-N 3.41Å; D71-K74 VanDerWaalsContact O-N 3.15Å; D71-K74 WeakPolarHBondContact OD2-CD 3.42Å; D71-K74 WeakPolarHBondContact OD2-CE 3.26Å; D71-K74 IonicContact OD2-NZ 3.84Å; R72-K74 PolarHBondContact O-N 3.33Å; K74-L76 VanDerWaalsContact C-N 3.32Å; K74-L76 HydrophobicContact CB-CD1 4.45Å; K74-L76 HydrophobicContact CB-CG 4.23Å
75G88.1Confident86.6Confident24 Ų2475.3 Ų75.325%0.24740%0.4CS..THydrogen-bonded Turntrans70.127-178.200000113.7R72 D94R72-G75 PolarHBondContact O-N 3.21Å; R72-G75 VanDerWaalsContact O-N 3.07Å; G75-D94 PolarHBondContact O-N 3.47Å
76L91.4Very high86Confident6 Ų677.9 Ų77.93%0.03143%0.432CS..EExtended strand (participates in β ladder)trans-93.1138.8178.2-58.7176.8000111.8R60 C70 D71 K74 V92R60-L76 HydrophobicContact CB-CD1 4.18Å; R60-L76 HydrophobicContact CB-CD2 3.97Å; R60-L76 HydrophobicContact CG-CD2 4.29Å; R60-L76 VanDerWaalsContact N-CD1 3.27Å; C70-L76 HydrophobicContact CB-CB 3.88Å; D71-L76 HydrophobicContact CB-CD1 4.25Å; D71-L76 WeakPolarHBondContact O-CB 3.46Å; D71-L76 PolarHBondContact O-N 2.92Å; D71-L76 VanDerWaalsContact O-N 3.16Å; K74-L76 VanDerWaalsContact C-N 3.32Å; K74-L76 HydrophobicContact CB-CD1 4.45Å; K74-L76 HydrophobicContact CB-CG 4.23Å; L76-V92 CarbonylContact C-O 3.55Å; L76-V92 VanDerWaalsContact CA-O 3.27Å; L76-V92 WeakPolarHBondContact CA-O 3.31Å
77Q90.6Very high86.1Confident61 Ų6172.6 Ų72.629%0.28541%0.414SS..EExtended strand (participates in β ladder)trans-138.2148.2174.8180149.9-28.600111.5D79 V92 D94 L97Q77-D79 PolarHBondContact O-N 3.15Å; Q77-V92 PolarHBondContact N-O 3.27Å; Q77-V92 WeakPolarHBondContact O-CG2 3.43Å; Q77-V92 PolarHBondContact O-N 3.47Å; Q77-D94 VanDerWaalsContact CB-OD1 3.3Å; Q77-D94 WeakPolarHBondContact CB-OD1 3.35Å; Q77-L97 HydrophobicContact CB-CD1 3.54Å; Q77-L97 HydrophobicContact CG-CD1 3.84Å
78C90.3Very high86.3Confident25 Ų2572.2 Ų72.217%0.16942%0.419CS..EExtended strand (participates in β ladder)trans-76.9116.5-173.5-166.60000110.6C64 C70 F80C64-C78 VanDerWaalsContact C-SG 3.58Å; C64-C78 HydrophobicContact CB-CB 3.91Å; C64-C78 WeakPolarHBondContact CB-SG 3.37Å; C64-C78 WeakPolarHBondContact SG-CA 3.17Å; C64-C78 WeakPolarHBondContact SG-CB 3.5Å; C64-C78 CovalentContact SG-SG 2.02Å; C64-C78 PolarHBondContact SG-SG 2.03Å; C70-C78 PolarHBondContact SG-N 2.91Å; C78-F80 HydrophobicContact CB-CE2 3.96Å; C78-F80 HydrophobicContact CB-CZ 4.31Å; C78-F80 WeakPolarHBondContact SG-CE2 3.48Å; C78-F80 WeakPolarHBondContact SG-CZ 2.99Å
79D88.6Confident86.4Confident35 Ų3569.8 Ų69.819%0.18741%0.407CS..EExtended strand (participates in β ladder)trans-94.4125.2173-17017.4000111.2Q77 S81 G89 E90 V92 L97Q77-D79 PolarHBondContact O-N 3.15Å; D79-S81 WeakPolarHBondContact OD1-CB 3Å; D79-S81 PolarHBondContact OD1-N 3.01Å; D79-S81 PolarHBondContact OD1-OG 2.6Å; D79-G89 CarbonylContact O-C 3.54Å; D79-G89 WeakPolarHBondContact O-CA 3.3Å; D79-E90 PolarHBondContact N-O 2.98Å; D79-E90 PolarHBondContact O-N 3.45Å; D79-V92 HydrophobicContact CB-CG1 4.34Å; D79-V92 HydrophobicContact CB-CG2 3.73Å; D79-L97 HydrophobicContact CB-CD2 3.8Å
80F85.4Confident86.4Confident87 Ų8773.1 Ų73.138%0.38242%0.42SS..  trans-106.15.9175.4-62.6-87.6000112.1C78 A82 S83C78-F80 HydrophobicContact CB-CE2 3.96Å; C78-F80 HydrophobicContact CB-CZ 4.31Å; C78-F80 WeakPolarHBondContact SG-CE2 3.48Å; C78-F80 WeakPolarHBondContact SG-CZ 2.99Å; F80-A82 VanDerWaalsContact C-N 3.27Å; F80-A82 PolarHBondContact O-N 3.08Å; F80-S83 PolarHBondContact O-N 2.85Å
81S78.2Confident86.4Confident69 Ų6972.7 Ų72.748%0.48342%0.416SS..THydrogen-bonded Turntrans-66.3-28.5-170.7-57.20000113.2D79D79-S81 WeakPolarHBondContact OD1-CB 3Å; D79-S81 PolarHBondContact OD1-N 3.01Å; D79-S81 PolarHBondContact OD1-OG 2.6Å
82A77.3Confident86.3Confident97 Ų9773.7 Ų73.780%0.80242%0.422SS*.THydrogen-bonded Turntrans-94.60.4174.900000113.9F80F80-A82 VanDerWaalsContact C-N 3.27Å; F80-A82 PolarHBondContact O-N 3.08Å
83S80.2Confident86.3Confident37 Ų3767.2 Ų67.226%0.25940%0.402SS..SBendtrans-97.8144.4-173.4-53.70000112F80 P88F80-S83 PolarHBondContact O-N 2.85Å; S83-P88 VanDerWaalsContact CB-O 3.32Å; S83-P88 WeakPolarHBondContact CB-O 3.36Å; S83-P88 PolarHBondContact OG-O 2.93Å
84F78.9Confident85.9Confident182 Ų18263 Ų6380%0.79839%0.385SS*.PPolyproline II helixtrans-64.6154169.5-60.9-79000110.7G86 G87F84-G86 PolarHBondContact O-N 2.86Å; F84-G86 VanDerWaalsContact O-N 3.11Å; F84-G87 PolarHBondContact O-N 2.63Å
85P78.1Confident85.4Confident141 Ų14165.8 Ų65.892%0.91640%0.399SS*.THydrogen-bonded Turntrans-52.9119.5176.8-25.333.9000111.8
86G76.3Confident85.1Confident91 Ų9168.9 Ų68.994%0.93841%0.41SS*.THydrogen-bonded Turntrans84.2-0-176.900000115.6F84F84-G86 PolarHBondContact O-N 2.86Å; F84-G86 VanDerWaalsContact O-N 3.11Å
87G84.5Confident84.6Confident25 Ų2568.8 Ų68.826%0.25841%0.41SS..SBendtrans-80163.1172.100000113.2F84F84-G87 PolarHBondContact O-N 2.63Å
88P89.1Confident84.3Confident81 Ų8167 Ų6753%0.52640%0.404SS..  trans-67.8143.2174.629.2-33.6000111P63 C64 S83P63-P88 HydrophobicContact CB-CB 4.2Å; C64-P88 CarbonylContact O-C 3.53Å; C64-P88 WeakPolarHBondContact O-CA 3.4Å; S83-P88 VanDerWaalsContact CB-O 3.32Å; S83-P88 WeakPolarHBondContact CB-O 3.36Å; S83-P88 PolarHBondContact OG-O 2.93Å
89G90.6Very high84.2Confident4 Ų465.8 Ų65.84%0.04140%0.396CS..EExtended strand (participates in β ladder)trans-83.1-175.9169.400000111.9P63 C64 D79P63-G89 CarbonylContact C-O 3.14Å; P63-G89 VanDerWaalsContact CA-O 3.25Å; P63-G89 WeakPolarHBondContact CA-O 3.32Å; C64-G89 PolarHBondContact N-O 3.37Å; C64-G89 PolarHBondContact O-N 3.42Å; D79-G89 CarbonylContact O-C 3.54Å; D79-G89 WeakPolarHBondContact O-CA 3.3Å
90E92.3Very high84.1Confident103 Ų10371.8 Ų71.848%0.48142%0.42SS..EExtended strand (participates in β ladder)trans-122.3138.1175.2-171.9176.5162.500110.5G61 C64 D79 V92G61-E90 WeakPolarHBondContact CA-OE1 3.01Å; C64-E90 PolarHBondContact SG-N 3.37Å; C64-E90 VanDerWaalsContact SG-N 3.41Å; D79-E90 PolarHBondContact N-O 2.98Å; D79-E90 PolarHBondContact O-N 3.45Å; E90-V92 PolarHBondContact O-N 2.95Å
91C92.7Very high84Confident0 Ų069.2 Ų69.20%041%0.412CS..EExtended strand (participates in β ladder)trans-76116.7175.3-680000111.1R58 Q59 R60 G61 E62 C64 C70R58-C91 WeakPolarHBondContact CB-SG 3.3Å; Q59-C91 WeakPolarHBondContact O-CB 3.16Å; R60-C91 CarbonylContact C-O 3.58Å; R60-C91 WeakPolarHBondContact CA-O 3.29Å; G61-C91 PolarHBondContact N-O 2.74Å; E62-C91 PolarHBondContact O-N 2.91Å; C64-C91 VanDerWaalsContact CB-SG 3.54Å; C70-C91 VanDerWaalsContact CA-SG 3.57Å; C70-C91 HydrophobicContact CB-CB 3.88Å; C70-C91 WeakPolarHBondContact CB-SG 3.39Å; C70-C91 WeakPolarHBondContact SG-CA 3.49Å; C70-C91 WeakPolarHBondContact SG-CB 3.03Å; C70-C91 CovalentContact SG-SG 2.03Å; C70-C91 PolarHBondContact SG-SG 2.89Å
92V91.1Very high84.2Confident22 Ų2273.2 Ų73.213%0.13343%0.427CS..EExtended strand (participates in β ladder)trans-123.5163.7-179.9-61.50000110.4L76 Q77 D79 E90 D96 L97L76-V92 CarbonylContact C-O 3.55Å; L76-V92 VanDerWaalsContact CA-O 3.27Å; L76-V92 WeakPolarHBondContact CA-O 3.31Å; Q77-V92 PolarHBondContact N-O 3.27Å; Q77-V92 WeakPolarHBondContact O-CG2 3.43Å; Q77-V92 PolarHBondContact O-N 3.47Å; D79-V92 HydrophobicContact CB-CG1 4.34Å; D79-V92 HydrophobicContact CB-CG2 3.73Å; E90-V92 PolarHBondContact O-N 2.95Å; V92-D96 HydrophobicContact CB-CB 4.42Å; V92-L97 HydrophobicContact CG2-CD1 3.76Å; V92-L97 HydrophobicContact CG2-CD2 3.7Å; V92-L97 HydrophobicContact CG2-CG 3.49Å; V92-L97 VanDerWaalsContact CG2-CG 3.49Å
93D89Confident84.4Confident49 Ų4971.4 Ų71.426%0.26242%0.419SS..EExtended strand (participates in β ladder)trans-68.9145.3175.6-65.9-74.5000110.9R60 E95 D96 L97R60-D93 WeakPolarHBondContact CD-OD2 3.25Å; R60-D93 IonicContact CZ-OD2 3.8Å; R60-D93 IonicContact NE-OD2 3.47Å; R60-D93 PolarHBondContact NE-OD2 3.48Å; R60-D93 IonicContact NH2-OD2 3.38Å; D93-E95 PolarHBondContact O-N 2.89Å; D93-D96 WeakPolarHBondContact O-CB 3.31Å; D93-D96 PolarHBondContact O-N 3.22Å; D93-L97 PolarHBondContact O-N 2.83Å
94D81.6Confident84.7Confident80 Ų8074.2 Ų74.243%0.42843%0.43SS..Hα-helixtrans-57.5-30.7176.8-88.7-7.3000112.5G75 Q77 D96 L97 S98G75-D94 PolarHBondContact O-N 3.47Å; Q77-D94 VanDerWaalsContact CB-OD1 3.3Å; Q77-D94 WeakPolarHBondContact CB-OD1 3.35Å; D94-D96 VanDerWaalsContact C-N 3.33Å; D94-L97 PolarHBondContact O-N 2.94Å; D94-S98 PolarHBondContact O-N 3.34Å; D94-S98 VanDerWaalsContact O-N 3.16Å
95E79.3Confident85.1Confident162 Ų16269.2 Ų69.276%0.75741%0.414SS*.Hα-helixtrans-61.1-40.4172.8-69.4-99.7133.100111.5D93 L97 S98D93-E95 PolarHBondContact O-N 2.89Å; E95-L97 VanDerWaalsContact C-N 3.27Å; E95-L97 PolarHBondContact O-N 3.07Å; E95-S98 WeakPolarHBondContact O-CB 3.46Å; E95-S98 PolarHBondContact O-N 3.4Å; E95-S98 PolarHBondContact O-OG 2.81Å
96D80.8Confident85.6Confident90 Ų9063.9 Ų63.948%0.48138%0.376SS..Hα-helixtrans-71.4-24.6-179.6-68.7-28.8000111.9R60 V92 D93 D94 G125R60-D96 IonicContact NH2-OD2 2.71Å; V92-D96 HydrophobicContact CB-CB 4.42Å; D93-D96 WeakPolarHBondContact O-CB 3.31Å; D93-D96 PolarHBondContact O-N 3.22Å; D94-D96 VanDerWaalsContact C-N 3.33Å; D96-G125 WeakPolarHBondContact O-CA 3.04Å
97L81.9Confident86.2Confident3 Ų365.2 Ų65.22%0.01636%0.361CS..Hα-helixtrans-85.2-15.6174.9-68166.9000113.2Q77 D79 V92 D93 D94 E95 N108 G125Q77-L97 HydrophobicContact CB-CD1 3.54Å; Q77-L97 HydrophobicContact CG-CD1 3.84Å; D79-L97 HydrophobicContact CB-CD2 3.8Å; V92-L97 HydrophobicContact CG2-CD1 3.76Å; V92-L97 HydrophobicContact CG2-CD2 3.7Å; V92-L97 HydrophobicContact CG2-CG 3.49Å; V92-L97 VanDerWaalsContact CG2-CG 3.49Å; D93-L97 PolarHBondContact O-N 2.83Å; D94-L97 PolarHBondContact O-N 2.94Å; E95-L97 VanDerWaalsContact C-N 3.27Å; E95-L97 PolarHBondContact O-N 3.07Å; L97-N108 HydrophobicContact CB-CB 3.94Å; L97-G125 PolarHBondContact O-N 3.42Å
98S85.3Confident86.3Confident24 Ų2466.8 Ų66.817%0.16836%0.364CS..  trans-79.2144.6-178.579.50000111.6D94 E95 Y106D94-S98 PolarHBondContact O-N 3.34Å; D94-S98 VanDerWaalsContact O-N 3.16Å; E95-S98 WeakPolarHBondContact O-CB 3.46Å; E95-S98 PolarHBondContact O-N 3.4Å; E95-S98 PolarHBondContact O-OG 2.81Å; S98-Y106 CarbonylContact C-O 3.57Å; S98-Y106 WeakPolarHBondContact CA-O 3.07Å; S98-Y106 WeakPolarHBondContact CB-O 3.4Å
99C86.9Confident86.1Confident0 Ų065.1 Ų65.10%036%0.361CS..EExtended strand (participates in β ladder)trans-104.8130.8-179.4-54.20000110.6T105 Y106 C122 G125 G126 V127C99-T105 CarbonylContact O-C 3.56Å; C99-Y106 PolarHBondContact N-O 3.31Å; C99-Y106 PolarHBondContact O-N 3.07Å; C99-C122 HydrophobicContact CB-CB 3.71Å; C99-C122 WeakPolarHBondContact CB-SG 2.85Å; C99-C122 PolarHBondContact N-SG 3.24Å; C99-C122 WeakPolarHBondContact SG-CA 3.2Å; C99-C122 WeakPolarHBondContact SG-CB 3.47Å; C99-C122 CovalentContact SG-SG 2.03Å; C99-C122 PolarHBondContact SG-SG 3.45Å; C99-G125 VanDerWaalsContact SG-C 3.52Å; C99-G126 VanDerWaalsContact SG-C 3.56Å; C99-G126 PolarHBondContact SG-O 2.04Å; C99-V127 HydrophobicContact CB-CG2 3.5Å
100K87.3Confident86.1Confident160 Ų16068.7 Ų68.770%0.69638%0.377SS*.EExtended strand (participates in β ladder)trans-106.4111.8177.1-162.3171.7-175.1170.80111.4I104K100-I104 WeakPolarHBondContact CA-O 3.1Å
101V83.4Confident86Confident33 Ų3366.3 Ų66.320%0.237%0.371CS..EExtended strand (participates in β ladder)trans-124.3122.9178.9-175.20000110G103 I104 Y106 F112 V127V101-G103 PolarHBondContact O-N 2.83Å; V101-G103 VanDerWaalsContact O-N 3.17Å; V101-I104 PolarHBondContact N-O 3.35Å; V101-I104 PolarHBondContact O-N 2.98Å; V101-Y106 HydrophobicContact CB-CD2 4.33Å; V101-Y106 HydrophobicContact CB-CE2 3.9Å; V101-Y106 HydrophobicContact CG2-CD2 4.41Å; V101-Y106 HydrophobicContact CG2-CE2 4.42Å; V101-F112 HydrophobicContact CB-CE2 4.31Å; V101-F112 HydrophobicContact CB-CZ 4.34Å; V101-F112 HydrophobicContact CG1-CE2 4.35Å; V101-F112 HydrophobicContact CG2-CE2 4.21Å; V101-F112 HydrophobicContact CG2-CZ 3.79Å; V101-V127 HydrophobicContact CG2-CB 4.5Å; V101-V127 HydrophobicContact CG2-CG1 4.45Å; V101-V127 HydrophobicContact CG2-CG2 3.55Å
102N81.2Confident86Confident153 Ų15367.1 Ų67.182%0.81838%0.375SS*.THydrogen-bonded Turntrans52.633.5-178.4-62.4-27.1000114.1I104N102-I104 VanDerWaalsContact C-N 3.3Å; N102-I104 PolarHBondContact O-N 2.69Å
103G82.4Confident85.9Confident60 Ų6071.4 Ų71.462%0.61939%0.393SS*.THydrogen-bonded Turntrans83.5-2.3-179.100000115.1V101V101-G103 PolarHBondContact O-N 2.83Å; V101-G103 VanDerWaalsContact O-N 3.17Å
104I86.1Confident85.7Confident95 Ų9572 Ų7249%0.48740%0.4SS..EExtended strand (participates in β ladder)trans-96.5131.7174.8-55.6173.9000108.8K100 V101 N102 Y106K100-I104 WeakPolarHBondContact CA-O 3.1Å; V101-I104 PolarHBondContact N-O 3.35Å; V101-I104 PolarHBondContact O-N 2.98Å; N102-I104 VanDerWaalsContact C-N 3.3Å; N102-I104 PolarHBondContact O-N 2.69Å; I104-Y106 HydrophobicContact CB-CE2 3.82Å; I104-Y106 HydrophobicContact CG2-CD2 4.38Å; I104-Y106 HydrophobicContact CG2-CE1 4.15Å; I104-Y106 HydrophobicContact CG2-CE2 3.75Å; I104-Y106 WeakPolarHBondContact O-CD2 3.27Å
105T88.3Confident85.9Confident78 Ų7870.3 Ų70.348%0.47939%0.394SS..EExtended strand (participates in β ladder)trans-92.2126.9176-54.40000109.9C99C99-T105 CarbonylContact O-C 3.56Å
106Y88.1Confident86.2Confident29 Ų2965 Ų6511%0.11438%0.375CS..EExtended strand (participates in β ladder)trans-111.8133.3177.5-62.2-86.7000109.5S98 C99 V101 I104 Q110 F112S98-Y106 CarbonylContact C-O 3.57Å; S98-Y106 WeakPolarHBondContact CA-O 3.07Å; S98-Y106 WeakPolarHBondContact CB-O 3.4Å; C99-Y106 PolarHBondContact N-O 3.31Å; C99-Y106 PolarHBondContact O-N 3.07Å; V101-Y106 HydrophobicContact CB-CD2 4.33Å; V101-Y106 HydrophobicContact CB-CE2 3.9Å; V101-Y106 HydrophobicContact CG2-CD2 4.41Å; V101-Y106 HydrophobicContact CG2-CE2 4.42Å; I104-Y106 HydrophobicContact CB-CE2 3.82Å; I104-Y106 HydrophobicContact CG2-CD2 4.38Å; I104-Y106 HydrophobicContact CG2-CE1 4.15Å; I104-Y106 HydrophobicContact CG2-CE2 3.75Å; I104-Y106 WeakPolarHBondContact O-CD2 3.27Å; Y106-Q110 VanDerWaalsContact CA-OE1 3.24Å; Y106-Q110 HydrophobicContact CD1-CG 4.32Å; Y106-F112 HydrophobicContact CD1-CB 3.84Å; Y106-F112 AromaticContact CD1-CD1 3.39Å; Y106-F112 HydrophobicContact CD1-CD1 3.39Å; Y106-F112 HydrophobicContact CD1-CD2 4.4Å; Y106-F112 HydrophobicContact CD1-CE1 4Å; Y106-F112 AromaticContact CD1-CG 3.63Å; Y106-F112 HydrophobicContact CD1-CG 3.63Å; Y106-F112 HydrophobicContact CD2-CD1 4.11Å; Y106-F112 AromaticContact CD2-CE1 3.9Å; Y106-F112 HydrophobicContact CD2-CE1 3.9Å; Y106-F112 HydrophobicContact CD2-CE2 4.42Å; Y106-F112 HydrophobicContact CD2-CG 4.47Å; Y106-F112 HydrophobicContact CD2-CZ 4.07Å; Y106-F112 HydrophobicContact CE1-CB 3.33Å; Y106-F112 AromaticContact CE1-CD1 3.61Å; Y106-F112 HydrophobicContact CE1-CD1 3.61Å; Y106-F112 AromaticContact CE1-CD2 3.8Å; Y106-F112 HydrophobicContact CE1-CD2 3.8Å; Y106-F112 HydrophobicContact CE1-CE1 4.34Å; Y106-F112 HydrophobicContact CE1-CE2 4.5Å; Y106-F112 AromaticContact CE1-CG 3.29Å; Y106-F112 HydrophobicContact CE1-CG 3.29Å; Y106-F112 HydrophobicContact CE2-CD1 4.31Å; Y106-F112 HydrophobicContact CE2-CD2 4.05Å; Y106-F112 HydrophobicContact CE2-CE1 4.26Å; Y106-F112 AromaticContact CE2-CE2 4Å; Y106-F112 HydrophobicContact CE2-CE2 4Å; Y106-F112 HydrophobicContact CE2-CG 4.22Å; Y106-F112 HydrophobicContact CE2-CZ 4.1Å; Y106-F112 AromaticContact CG-CD1 3.65Å; Y106-F112 HydrophobicContact CG-CD1 3.65Å; Y106-F112 AromaticContact CG-CE1 3.76Å; Y106-F112 HydrophobicContact CG-CE1 3.76Å; Y106-F112 HydrophobicContact CG-CG 4.2Å; Y106-F112 HydrophobicContact CG-CZ 4.38Å; Y106-F112 AromaticContact CZ-CD2 3.58Å; Y106-F112 AromaticContact CZ-CG 3.61Å
107L88.6Confident86.4Confident119 Ų11963.3 Ų63.362%0.62337%0.366SS*.  trans-71.5153.8178.3-62.4174.7000110.9G109 Q110 C122L107-G109 PolarHBondContact O-N 2.84Å; L107-Q110 HydrophobicContact CB-CB 4.46Å; L107-Q110 WeakPolarHBondContact O-CB 3.32Å; L107-Q110 PolarHBondContact O-N 3.11Å; L107-C122 WeakPolarHBondContact O-CB 3.32Å
108N86.1Confident86.7Confident58 Ų5864.3 Ų64.331%0.3137%0.373SS..THydrogen-bonded Turntrans-58.1128.8173.1-17132.8000110.4L97 R123 G124L97-N108 HydrophobicContact CB-CB 3.94Å; N108-R123 VanDerWaalsContact OD1-CA 3.3Å; N108-R123 WeakPolarHBondContact OD1-CA 3.46Å; N108-G124 PolarHBondContact OD1-N 3.23Å
109G85.3Confident87.1Confident45 Ų4567.4 Ų67.446%0.46438%0.383SS..THydrogen-bonded Turntrans91.4-9.3-171.800000114.7L107 H121 C122L107-G109 PolarHBondContact O-N 2.84Å; G109-H121 WeakPolarHBondContact CA-CE1 3.16Å; G109-H121 PolarHBondContact O-NE2 2.95Å; G109-C122 PolarHBondContact N-O 3.02Å
110Q89.7Confident87.3Confident80 Ų8067.4 Ų67.437%0.37438%0.384SS..  trans-80.8130.5-177.3-166.81747.700111.3Y106 L107 C122Y106-Q110 VanDerWaalsContact CA-OE1 3.24Å; Y106-Q110 HydrophobicContact CD1-CG 4.32Å; L107-Q110 HydrophobicContact CB-CB 4.46Å; L107-Q110 WeakPolarHBondContact O-CB 3.32Å; L107-Q110 PolarHBondContact O-N 3.11Å; Q110-C122 PolarHBondContact O-N 3.12Å
111S91.8Very high87.6Confident53 Ų5363.1 Ų63.137%0.37137%0.366SS..EExtended strand (participates in β ladder)trans-96.3143.5168.9-66.90000111.9C120 H121S111-C120 CarbonylContact C-O 3.6Å; S111-C120 VanDerWaalsContact CA-O 3.26Å; S111-C120 WeakPolarHBondContact CA-O 3.45Å; S111-H121 PolarHBondContact OG-CD2 3.41Å; S111-H121 VanDerWaalsContact OG-CD2 3.24Å
112F91.4Very high87.9Confident17 Ų1761.5 Ų61.58%0.07536%0.356CS..EExtended strand (participates in β ladder)trans-151.3158.2177.962.2-83.8000111.2V101 Y106 P114 C120 V127V101-F112 HydrophobicContact CB-CE2 4.31Å; V101-F112 HydrophobicContact CB-CZ 4.34Å; V101-F112 HydrophobicContact CG1-CE2 4.35Å; V101-F112 HydrophobicContact CG2-CE2 4.21Å; V101-F112 HydrophobicContact CG2-CZ 3.79Å; Y106-F112 HydrophobicContact CD1-CB 3.84Å; Y106-F112 AromaticContact CD1-CD1 3.39Å; Y106-F112 HydrophobicContact CD1-CD1 3.39Å; Y106-F112 HydrophobicContact CD1-CD2 4.4Å; Y106-F112 HydrophobicContact CD1-CE1 4Å; Y106-F112 AromaticContact CD1-CG 3.63Å; Y106-F112 HydrophobicContact CD1-CG 3.63Å; Y106-F112 HydrophobicContact CD2-CD1 4.11Å; Y106-F112 AromaticContact CD2-CE1 3.9Å; Y106-F112 HydrophobicContact CD2-CE1 3.9Å; Y106-F112 HydrophobicContact CD2-CE2 4.42Å; Y106-F112 HydrophobicContact CD2-CG 4.47Å; Y106-F112 HydrophobicContact CD2-CZ 4.07Å; Y106-F112 HydrophobicContact CE1-CB 3.33Å; Y106-F112 AromaticContact CE1-CD1 3.61Å; Y106-F112 HydrophobicContact CE1-CD1 3.61Å; Y106-F112 AromaticContact CE1-CD2 3.8Å; Y106-F112 HydrophobicContact CE1-CD2 3.8Å; Y106-F112 HydrophobicContact CE1-CE1 4.34Å; Y106-F112 HydrophobicContact CE1-CE2 4.5Å; Y106-F112 AromaticContact CE1-CG 3.29Å; Y106-F112 HydrophobicContact CE1-CG 3.29Å; Y106-F112 HydrophobicContact CE2-CD1 4.31Å; Y106-F112 HydrophobicContact CE2-CD2 4.05Å; Y106-F112 HydrophobicContact CE2-CE1 4.26Å; Y106-F112 AromaticContact CE2-CE2 4Å; Y106-F112 HydrophobicContact CE2-CE2 4Å; Y106-F112 HydrophobicContact CE2-CG 4.22Å; Y106-F112 HydrophobicContact CE2-CZ 4.1Å; Y106-F112 AromaticContact CG-CD1 3.65Å; Y106-F112 HydrophobicContact CG-CD1 3.65Å; Y106-F112 AromaticContact CG-CE1 3.76Å; Y106-F112 HydrophobicContact CG-CE1 3.76Å; Y106-F112 HydrophobicContact CG-CG 4.2Å; Y106-F112 HydrophobicContact CG-CZ 4.38Å; Y106-F112 AromaticContact CZ-CD2 3.58Å; Y106-F112 AromaticContact CZ-CG 3.61Å; F112-P114 HydrophobicContact CD2-CB 4.21Å; F112-P114 HydrophobicContact CD2-CG 4.14Å; F112-P114 HydrophobicContact CE2-CB 4.17Å; F112-P114 HydrophobicContact CE2-CG 3.97Å; F112-P114 WeakPolarHBondContact O-CD 3.22Å; F112-C120 HydrophobicContact CD1-CB 4.38Å; F112-C120 HydrophobicContact CD2-CB 4.19Å; F112-C120 HydrophobicContact CE1-CB 3.95Å; F112-C120 HydrophobicContact CE2-CB 3.73Å; F112-C120 HydrophobicContact CG-CB 4.49Å; F112-C120 HydrophobicContact CZ-CB 3.59Å; F112-C120 PolarHBondContact N-O 2.9Å; F112-C120 PolarHBondContact O-N 2.84Å; F112-V127 HydrophobicContact CE1-CG1 4.32Å; F112-V127 HydrophobicContact CZ-CG1 3.7Å; F112-V127 HydrophobicContact CZ-CG2 4.33Å
113Q89.5Confident88.2Confident112 Ų11262.5 Ų62.552%0.52335%0.349SS..EExtended strand (participates in β ladder)trans-118.590.7-177.7178.8161.7-0.500108.9S115 C116 S118Q113-S115 VanDerWaalsContact C-N 3.28Å; Q113-S115 WeakPolarHBondContact CG-O 3.48Å; Q113-S115 PolarHBondContact NE2-O 3.34Å; Q113-S115 PolarHBondContact O-N 3.5Å; Q113-C116 PolarHBondContact NE2-O 2.91Å; Q113-S118 WeakPolarHBondContact CG-O 3.49Å
114P85.5Confident88Confident60 Ų6060.6 Ų60.639%0.3933%0.329SS..EExtended strand (participates in β ladder)trans-73.6-21.5-174.327.8-31.2000112.9F112 S118 C120F112-P114 HydrophobicContact CD2-CB 4.21Å; F112-P114 HydrophobicContact CD2-CG 4.14Å; F112-P114 HydrophobicContact CE2-CB 4.17Å; F112-P114 HydrophobicContact CE2-CG 3.97Å; F112-P114 WeakPolarHBondContact O-CD 3.22Å; P114-S118 WeakPolarHBondContact CG-OG 3.34Å; P114-C120 VanDerWaalsContact CG-SG 3.51Å
115S84.2Confident87.8Confident46 Ų4657.7 Ų57.732%0.32232%0.322SS..EExtended strand (participates in β ladder)trans-143163.6169.2650000109.5Q113 D117 S118Q113-S115 VanDerWaalsContact C-N 3.28Å; Q113-S115 WeakPolarHBondContact CG-O 3.48Å; Q113-S115 PolarHBondContact NE2-O 3.34Å; Q113-S115 PolarHBondContact O-N 3.5Å; S115-D117 VanDerWaalsContact CB-OD1 3.31Å; S115-D117 WeakPolarHBondContact CB-OD1 3.37Å; S115-D117 PolarHBondContact O-N 3.33Å; S115-D117 PolarHBondContact OG-OD1 3.46Å; S115-S118 PolarHBondContact N-OG 3.41Å; S115-S118 PolarHBondContact O-N 2.86Å; S115-S118 VanDerWaalsContact O-O 3.08Å; S115-S118 PolarHBondContact OG-OG 2.83Å
116C85.8Confident87.6Confident51 Ų5155.6 Ų55.635%0.34532%0.316SS..THydrogen-bonded Turntrans-60.6-24.8-177.676.90000112.8Q113 R151 C156Q113-C116 PolarHBondContact NE2-O 2.91Å; C116-R151 PolarHBondContact SG-NH2 3Å; C116-C156 WeakPolarHBondContact CA-SG 3.47Å; C116-C156 HydrophobicContact CB-CB 3.73Å; C116-C156 WeakPolarHBondContact CB-SG 3.4Å; C116-C156 PolarHBondContact O-SG 3.39Å; C116-C156 WeakPolarHBondContact SG-CA 2.99Å; C116-C156 WeakPolarHBondContact SG-CB 3.19Å; C116-C156 CovalentContact SG-SG 2.02Å; C116-C156 PolarHBondContact SG-SG 3.21Å
117D86.6Confident87.7Confident54 Ų5457 Ų5729%0.28933%0.327SS..THydrogen-bonded Turntrans-100.61.1-175.557.2-15.7000114S115 A132 R151 C156S115-D117 VanDerWaalsContact CB-OD1 3.31Å; S115-D117 WeakPolarHBondContact CB-OD1 3.37Å; S115-D117 PolarHBondContact O-N 3.33Å; S115-D117 PolarHBondContact OG-OD1 3.46Å; D117-A132 PolarHBondContact O-N 3.49Å; D117-R151 IonicContact OD2-NH1 3.14Å; D117-R151 PolarHBondContact OD2-NH1 3.25Å; D117-C156 PolarHBondContact N-SG 3.07Å
118S88.4Confident87.7Confident24 Ų2455.8 Ų55.817%0.16833%0.325CS..EExtended strand (participates in β ladder)trans-131.1133.7-179.563.40000111.9Q113 P114 S115Q113-S118 WeakPolarHBondContact CG-O 3.49Å; P114-S118 WeakPolarHBondContact CG-OG 3.34Å; S115-S118 PolarHBondContact N-OG 3.41Å; S115-S118 PolarHBondContact O-N 2.86Å; S115-S118 VanDerWaalsContact O-O 3.08Å; S115-S118 PolarHBondContact OG-OG 2.83Å
119F92.4Very high87.9Confident88 Ų8856.3 Ų56.339%0.38633%0.333SS..EExtended strand (participates in β ladder)trans-120123.3173-177.8-96.8000108.5C129 V130 A132F119-C129 CarbonylContact O-C 3.58Å; F119-C129 WeakPolarHBondContact O-CA 3.31Å; F119-V130 HydrophobicContact CB-CG2 4.19Å; F119-V130 HydrophobicContact CD1-CG2 4.2Å; F119-V130 PolarHBondContact N-O 3.32Å; F119-V130 WeakPolarHBondContact O-CG2 3.37Å; F119-V130 PolarHBondContact O-N 2.79Å; F119-A132 HydrophobicContact CB-CB 4.41Å
120C91.9Very high88.1Confident1 Ų158.4 Ų58.41%0.00734%0.336CS..EExtended strand (participates in β ladder)trans-120.1150.2-172-55.40000111.3S111 F112 P114 V127 T128 C129S111-C120 CarbonylContact C-O 3.6Å; S111-C120 VanDerWaalsContact CA-O 3.26Å; S111-C120 WeakPolarHBondContact CA-O 3.45Å; F112-C120 HydrophobicContact CD1-CB 4.38Å; F112-C120 HydrophobicContact CD2-CB 4.19Å; F112-C120 HydrophobicContact CE1-CB 3.95Å; F112-C120 HydrophobicContact CE2-CB 3.73Å; F112-C120 HydrophobicContact CG-CB 4.49Å; F112-C120 HydrophobicContact CZ-CB 3.59Å; F112-C120 PolarHBondContact N-O 2.9Å; F112-C120 PolarHBondContact O-N 2.84Å; P114-C120 VanDerWaalsContact CG-SG 3.51Å; C120-V127 HydrophobicContact CB-CG1 3.81Å; C120-T128 CarbonylContact C-O 3.42Å; C120-T128 VanDerWaalsContact CA-O 3.27Å; C120-T128 WeakPolarHBondContact CA-O 2.95Å; C120-C129 HydrophobicContact CB-CB 4.09Å; C120-C129 WeakPolarHBondContact CB-SG 3.44Å; C120-C129 WeakPolarHBondContact SG-CB 3.28Å; C120-C129 CovalentContact SG-SG 2.04Å; C120-C129 PolarHBondContact SG-SG 2.67Å
121H93.3Very high88Confident69 Ų6958.1 Ų58.132%0.31934%0.343SS..EExtended strand (participates in β ladder)trans-130.7132.2174.6-175.2-65.7000109.4G109 S111 T128G109-H121 WeakPolarHBondContact CA-CE1 3.16Å; G109-H121 PolarHBondContact O-NE2 2.95Å; S111-H121 PolarHBondContact OG-CD2 3.41Å; S111-H121 VanDerWaalsContact OG-CD2 3.24Å; H121-T128 PolarHBondContact N-O 2.94Å; H121-T128 PolarHBondContact O-N 2.02Å
122C89.9Confident87.8Confident0 Ų058.1 Ų58.10%035%0.346CS..EExtended strand (participates in β ladder)trans-83124.7175.4177.50000110.6C99 L107 G109 Q110C99-C122 HydrophobicContact CB-CB 3.71Å; C99-C122 WeakPolarHBondContact CB-SG 2.85Å; C99-C122 PolarHBondContact N-SG 3.24Å; C99-C122 WeakPolarHBondContact SG-CA 3.2Å; C99-C122 WeakPolarHBondContact SG-CB 3.47Å; C99-C122 CovalentContact SG-SG 2.03Å; C99-C122 PolarHBondContact SG-SG 3.45Å; L107-C122 WeakPolarHBondContact O-CB 3.32Å; G109-C122 PolarHBondContact N-O 3.02Å; Q110-C122 PolarHBondContact O-N 3.12Å
123R86.8Confident87.5Confident174 Ų17458.2 Ų58.266%0.65735%0.349SS*.EExtended strand (participates in β ladder)trans-143.2117.9176.5-169177.1-177.9-179.50.3110.4N108 G125 G126N108-R123 VanDerWaalsContact OD1-CA 3.3Å; N108-R123 WeakPolarHBondContact OD1-CA 3.46Å; R123-G125 PolarHBondContact O-N 2.54Å; R123-G126 PolarHBondContact N-O 3.21Å; R123-G126 PolarHBondContact O-N 3.07Å; R123-G126 VanDerWaalsContact O-N 3.08Å
124G79.1Confident87Confident20 Ų2057.2 Ų57.221%0.20635%0.352CS..THydrogen-bonded Turntrans58.146.3174.700000113.5N108 G126N108-G124 PolarHBondContact OD1-N 3.23Å; G124-G126 PolarHBondContact O-N 2.87Å
125G81.9Confident86.1Confident34 Ų3462.8 Ų62.835%0.35138%0.377SS..THydrogen-bonded Turntrans74.1-13.2-176.700000115D96 L97 C99 R123D96-G125 WeakPolarHBondContact O-CA 3.04Å; L97-G125 PolarHBondContact O-N 3.42Å; C99-G125 VanDerWaalsContact SG-C 3.52Å; R123-G125 PolarHBondContact O-N 2.54Å
126G83.3Confident85.2Confident34 Ų3463.9 Ų63.935%0.35138%0.383SS..EExtended strand (participates in β ladder)trans-96.7147.6178.100000113.8C99 R123 G124C99-G126 VanDerWaalsContact SG-C 3.56Å; C99-G126 PolarHBondContact SG-O 2.04Å; R123-G126 PolarHBondContact N-O 3.21Å; R123-G126 PolarHBondContact O-N 3.07Å; R123-G126 VanDerWaalsContact O-N 3.08Å; G124-G126 PolarHBondContact O-N 2.87Å
127V89.7Confident84.1Confident57 Ų5766.8 Ų66.835%0.34540%0.403SS..EExtended strand (participates in β ladder)trans-105.5121.7177-179.50000109.8C99 V101 F112 C120C99-V127 HydrophobicContact CB-CG2 3.5Å; V101-V127 HydrophobicContact CG2-CB 4.5Å; V101-V127 HydrophobicContact CG2-CG1 4.45Å; V101-V127 HydrophobicContact CG2-CG2 3.55Å; F112-V127 HydrophobicContact CE1-CG1 4.32Å; F112-V127 HydrophobicContact CZ-CG1 3.7Å; F112-V127 HydrophobicContact CZ-CG2 4.33Å; C120-V127 HydrophobicContact CB-CG1 3.81Å
128T89.2Confident82.8Confident94 Ų9468.8 Ų68.858%0.57741%0.407SS*.EExtended strand (participates in β ladder)trans-106.9121.3172.3-54.20000109.4C120 H121C120-T128 CarbonylContact C-O 3.42Å; C120-T128 VanDerWaalsContact CA-O 3.27Å; C120-T128 WeakPolarHBondContact CA-O 2.95Å; H121-T128 PolarHBondContact N-O 2.94Å; H121-T128 PolarHBondContact O-N 2.02Å
129C89.5Confident81.2Confident70 Ų7074.2 Ų74.247%0.47343%0.433SS..EExtended strand (participates in β ladder)trans-113.7138179.6-59.90000111.6F119 C120F119-C129 CarbonylContact O-C 3.58Å; F119-C129 WeakPolarHBondContact O-CA 3.31Å; C120-C129 HydrophobicContact CB-CB 4.09Å; C120-C129 WeakPolarHBondContact CB-SG 3.44Å; C120-C129 WeakPolarHBondContact SG-CB 3.28Å; C120-C129 CovalentContact SG-SG 2.04Å; C120-C129 PolarHBondContact SG-SG 2.67Å
130V90.6Very high79.5Confident89 Ų8974.3 Ų74.354%0.53944%0.443SS..EExtended strand (participates in β ladder)trans-115.5152.7170.7-63.90000109.9F119 A132F119-V130 HydrophobicContact CB-CG2 4.19Å; F119-V130 HydrophobicContact CD1-CG2 4.2Å; F119-V130 PolarHBondContact N-O 3.32Å; F119-V130 WeakPolarHBondContact O-CG2 3.37Å; F119-V130 PolarHBondContact O-N 2.79Å; V130-A132 PolarHBondContact O-N 3.38Å
131S87.3Confident77.8Confident74 Ų7477 Ų7752%0.51746%0.459SS..EExtended strand (participates in β ladder)trans-65.3123.4173.11720000109.3C133S131-C133 PolarHBondContact O-N 2.97Å; S131-C133 PolarHBondContact OG-N 3.47Å; S131-C133 VanDerWaalsContact OG-N 3.13Å; S131-C133 PolarHBondContact OG-O 3.09Å
132A86.6Confident75.8Confident52 Ų5279.7 Ų79.743%0.4348%0.483SS..SBendtrans-75.2-13.2169.600000111.7D117 F119 V130D117-A132 PolarHBondContact O-N 3.49Å; F119-A132 HydrophobicContact CB-CB 4.41Å; V130-A132 PolarHBondContact O-N 3.38Å
133C85.5Confident74.1Confident20 Ų2086.4 Ų86.414%0.13552%0.518CS..SBendtrans-87.1142.8177.3-67.40000112.1S131 L135 C157S131-C133 PolarHBondContact O-N 2.97Å; S131-C133 PolarHBondContact OG-N 3.47Å; S131-C133 VanDerWaalsContact OG-N 3.13Å; S131-C133 PolarHBondContact OG-O 3.09Å; C133-L135 PolarHBondContact O-N 3.05Å; C133-C157 WeakPolarHBondContact CA-SG 3.44Å; C133-C157 HydrophobicContact CB-CB 3.71Å; C133-C157 WeakPolarHBondContact CB-SG 3.08Å; C133-C157 WeakPolarHBondContact SG-CA 3.43Å; C133-C157 WeakPolarHBondContact SG-CB 2.96Å; C133-C157 CovalentContact SG-SG 2.04Å; C133-C157 PolarHBondContact SG-SG 3.31Å
134P79.4Confident72.7Confident90 Ų9078.2 Ų78.258%0.58449%0.488SS*.  trans-64.2130.8177.726.1-33000110.7T136P134-T136 VanDerWaalsContact C-N 3.29Å; P134-T136 PolarHBondContact O-N 2.72Å; P134-T136 PolarHBondContact O-OG1 2.71Å
135L66.3Low71.9Confident177 Ų17782.4 Ų82.493%0.92751%0.511SS*.  trans-70.386.9170.2-75.9154.6000108.7C133C133-L135 PolarHBondContact O-N 3.05Å
136T65.1Low70.8Confident70 Ų7084.6 Ų84.643%0.42952%0.521SS..  trans-102.1116.2177.725.50000109.3P134 W160P134-T136 VanDerWaalsContact C-N 3.29Å; P134-T136 PolarHBondContact O-N 2.72Å; P134-T136 PolarHBondContact O-OG1 2.71Å; T136-W160 PolarHBondContact O-NE1 3.47Å
137S62.4Low70.1Confident111 Ų11184.1 Ų84.178%0.77651%0.512SS*.  trans-96.1132.1165.754.60000108.9
138R60.3Low69.3Low97 Ų9785.8 Ų85.837%0.36652%0.516SS..  trans-119.4121.5173.9-170.6176.5179.6-179.4-4.2109.1W160 C162R138-W160 HydrophobicContact CB-CB 4.31Å; R138-W160 HydrophobicContact CB-CD2 3.53Å; R138-W160 HydrophobicContact CB-CE3 4.17Å; R138-W160 HydrophobicContact CB-CG 3.6Å; R138-W160 HydrophobicContact CB-CZ2 4.16Å; R138-W160 HydrophobicContact CG-CG 4.43Å; R138-C162 PolarHBondContact NH1-SG 3.38Å; R138-C162 PolarHBondContact NH2-SG 3.24Å
139L53.9Low68.7Low137 Ų13785 Ų8572%0.71751%0.505SS*.  trans-76150.2170.8-74.8103.4000110.5T141L139-T141 PolarHBondContact O-N 3.18Å
140P57.9Low67.9Low91 Ų9185 Ų8559%0.59150%0.5SS*.  trans-54.3131.6169.5-22.733.3000110.2
141T54.8Low66.9Low56 Ų5686.9 Ų86.934%0.34450%0.497SS..BIsolated β-bridgetrans-121.1158.7177.336.10000108.6L139 D143 C144L139-T141 PolarHBondContact O-N 3.18Å; T141-D143 PolarHBondContact O-N 2.99Å; T141-C144 PolarHBondContact N-O 3.31Å; T141-C144 VanDerWaalsContact N-O 3.07Å; T141-C144 CarbonylContact O-C 3.53Å; T141-C144 WeakPolarHBondContact O-CA 3.05Å; T141-C144 PolarHBondContact O-N 3.45Å
142P52.4Low65.9Low126 Ų12685.9 Ų85.982%0.81849%0.486SS*.THydrogen-bonded Turntrans-53.5-36.3178.5-26.134.7000113.2C144P142-C144 VanDerWaalsContact C-N 3.28Å; P142-C144 PolarHBondContact O-N 2.04Å
143D53.9Low64.8Low141 Ų14189.5 Ų89.575%0.75451%0.505SS*.THydrogen-bonded Turntrans-80.2-7.7177.4-51.7-49.3000113.5T141T141-D143 PolarHBondContact O-N 2.99Å
144C58.4Low64.3Low2 Ų292.9 Ų92.91%0.01454%0.543CS..BIsolated β-bridgetrans-152.779.4-180-1780000111.3T141 P142 S146 C162T141-C144 PolarHBondContact N-O 3.31Å; T141-C144 VanDerWaalsContact N-O 3.07Å; T141-C144 CarbonylContact O-C 3.53Å; T141-C144 WeakPolarHBondContact O-CA 3.05Å; T141-C144 PolarHBondContact O-N 3.45Å; P142-C144 VanDerWaalsContact C-N 3.28Å; P142-C144 PolarHBondContact O-N 2.04Å; C144-S146 VanDerWaalsContact C-N 3.29Å; C144-S146 PolarHBondContact O-N 3Å; C144-C162 HydrophobicContact CB-CB 3.62Å; C144-C162 WeakPolarHBondContact CB-SG 3.4Å; C144-C162 WeakPolarHBondContact SG-CB 3.4Å; C144-C162 CovalentContact SG-SG 1.97Å; C144-C162 PolarHBondContact SG-SG 3.47Å
145P60.9Low63.8Low108 Ų10893.4 Ų93.470%0.70154%0.536SS*.SBendtrans-73.6-21.4-175.827.8-34.3000112.7
146S58.9Low64.5Low80 Ų8086.8 Ų86.856%0.55950%0.504SS*.SBendtrans-132.678.7177.5-161.50000111.4C144 Q148C144-S146 VanDerWaalsContact C-N 3.29Å; C144-S146 PolarHBondContact O-N 3Å; S146-Q148 PolarHBondContact O-N 3.28Å
147P69.2Low65.4Low25 Ų2584.9 Ų84.916%0.16249%0.493CS..EExtended strand (participates in β ladder)trans-70.6128176.529.5-33.5000109.9W160P147-W160 HydrophobicContact CB-CE3 3.58Å; P147-W160 HydrophobicContact CB-CZ3 3.84Å; P147-W160 HydrophobicContact CG-CE3 4.34Å; P147-W160 HydrophobicContact CG-CZ3 4.12Å
148Q72.1Confident66.2Low92 Ų9286.6 Ų86.643%0.4348%0.483SS..EExtended strand (participates in β ladder)trans-105.4131.1175-62.2-170.615.600110.4S146 I150 W160 V161S146-Q148 PolarHBondContact O-N 3.28Å; Q148-I150 HydrophobicContact CB-CG2 4.22Å; Q148-I150 PolarHBondContact O-N 3.5Å; Q148-W160 WeakPolarHBondContact O-CA 3.29Å; Q148-V161 HydrophobicContact CB-CG2 4.27Å; Q148-V161 PolarHBondContact N-O 3.13Å; Q148-V161 PolarHBondContact O-N 2.9Å
149F77.2Confident66.8Low77 Ų7785.5 Ų85.534%0.33848%0.482SS..EExtended strand (participates in β ladder)trans-98.783.4177.4-163.8-121.3000110.2R158 W160F149-R158 HydrophobicContact CD1-CB 3.84Å; F149-R158 HydrophobicContact CD1-CG 4.44Å; F149-R158 HydrophobicContact CD2-CB 4.08Å; F149-R158 HydrophobicContact CE1-CB 3.56Å; F149-R158 HydrophobicContact CE1-CG 4.25Å; F149-R158 HydrophobicContact CE2-CB 3.81Å; F149-R158 WeakPolarHBondContact CE2-O 3.07Å; F149-R158 HydrophobicContact CG-CB 4.11Å; F149-R158 HydrophobicContact CZ-CB 3.54Å; F149-W160 HydrophobicContact CB-CD2 4.21Å; F149-W160 HydrophobicContact CB-CE3 3.87Å; F149-W160 HydrophobicContact CB-CH2 4Å; F149-W160 HydrophobicContact CB-CZ2 4.23Å; F149-W160 HydrophobicContact CB-CZ3 3.8Å; F149-W160 AromaticContact CD2-CD1 3.84Å; F149-W160 AromaticContact CD2-CD2 3.66Å; F149-W160 HydrophobicContact CD2-CD2 3.66Å; F149-W160 AromaticContact CD2-CE2 3.55Å; F149-W160 HydrophobicContact CD2-CE3 4.2Å; F149-W160 AromaticContact CD2-CG 3.91Å; F149-W160 HydrophobicContact CD2-CG 3.91Å; F149-W160 HydrophobicContact CD2-CZ2 4.07Å; F149-W160 AromaticContact CD2-NE1 3.58Å; F149-W160 AromaticContact CE2-CD1 3.96Å; F149-W160 HydrophobicContact CE2-CD2 4.49Å; F149-W160 HydrophobicContact CE2-CG 4.45Å; F149-W160 AromaticContact CE2-NE1 3.7Å; F149-W160 HydrophobicContact CG-CD2 4.34Å; F149-W160 HydrophobicContact CG-CE3 4.49Å; F149-W160 HydrophobicContact CG-CZ2 4.24Å
150I72.4Confident67.7Low71 Ų7182.4 Ų82.436%0.36446%0.461SS..EExtended strand (participates in β ladder)trans-117.6159-175.162.7163.1000111.8Q148 L152 R158 E159 V161Q148-I150 HydrophobicContact CB-CG2 4.22Å; Q148-I150 PolarHBondContact O-N 3.5Å; I150-L152 HydrophobicContact CD1-CD2 4.07Å; I150-L152 HydrophobicContact CG1-CD2 4.41Å; I150-R158 VanDerWaalsContact O-CA 3.28Å; I150-R158 WeakPolarHBondContact O-CA 3.37Å; I150-E159 PolarHBondContact N-O 3.1Å; I150-E159 PolarHBondContact O-N 2.04Å; I150-V161 HydrophobicContact CD1-CG2 3.63Å; I150-V161 HydrophobicContact CG1-CG2 3.33Å
151R69.5Low68.2Low127 Ų12780.1 Ų80.148%0.47945%0.445SS..EExtended strand (participates in β ladder)trans-90.9113.3174.2-170.8172.3179.7162.6-3.2109.1C116 D117 K155 C156 R158C116-R151 PolarHBondContact SG-NH2 3Å; D117-R151 IonicContact OD2-NH1 3.14Å; D117-R151 PolarHBondContact OD2-NH1 3.25Å; R151-K155 PolarHBondContact NE-O 2.98Å; R151-C156 VanDerWaalsContact CZ-O 3.29Å; R151-C156 PolarHBondContact NE-O 2.93Å; R151-C156 VanDerWaalsContact NE-O 3.1Å; R151-R158 HydrophobicContact CB-CG 4.1Å
152L66.6Low68.6Low54 Ų5478.5 Ų78.528%0.28344%0.436SS..  trans-76.4150.3178-65.2175.4000111.3I150 G154 K155 V161I150-L152 HydrophobicContact CD1-CD2 4.07Å; I150-L152 HydrophobicContact CG1-CD2 4.41Å; L152-G154 PolarHBondContact O-N 3.24Å; L152-K155 HydrophobicContact CB-CB 4.14Å; L152-K155 HydrophobicContact CB-CG 4.01Å; L152-K155 PolarHBondContact O-N 3.04Å; L152-V161 HydrophobicContact CD1-CG1 3.91Å; L152-V161 HydrophobicContact CD2-CG1 4.11Å; L152-V161 HydrophobicContact CG-CG1 4.35Å
153P63.3Low68.6Low127 Ų12779.8 Ų79.883%0.82543%0.431SS*.THydrogen-bonded Turntrans-55.6133.1173.7-23.533.6000111.6K155P153-K155 PolarHBondContact O-N 3.39Å
154G74.3Confident68Low92 Ų9277.9 Ų77.995%0.94842%0.421SS*.THydrogen-bonded Turntrans76.2-6.9-17800000115.1L152L152-G154 PolarHBondContact O-N 3.24Å
155K69.5Low67.2Low101 Ų10184.4 Ų84.444%0.43946%0.455SS..  trans-97136.5174.1-67.5-70.8-167.1135.40110.8R151 L152 P153 E159R151-K155 PolarHBondContact NE-O 2.98Å; L152-K155 HydrophobicContact CB-CB 4.14Å; L152-K155 HydrophobicContact CB-CG 4.01Å; L152-K155 PolarHBondContact O-N 3.04Å; P153-K155 PolarHBondContact O-N 3.39Å; K155-E159 IonicContact NZ-OE1 2.72Å; K155-E159 PolarHBondContact NZ-OE1 3Å; K155-E159 IonicContact NZ-OE2 2.81Å
156C82.1Confident66.3Low37 Ų3786.3 Ų86.325%0.2545%0.454CS..SBendtrans-72.5-56174.8177.40000111.5C116 D117 R151C116-C156 WeakPolarHBondContact CA-SG 3.47Å; C116-C156 HydrophobicContact CB-CB 3.73Å; C116-C156 WeakPolarHBondContact CB-SG 3.4Å; C116-C156 PolarHBondContact O-SG 3.39Å; C116-C156 WeakPolarHBondContact SG-CA 2.99Å; C116-C156 WeakPolarHBondContact SG-CB 3.19Å; C116-C156 CovalentContact SG-SG 2.02Å; C116-C156 PolarHBondContact SG-SG 3.21Å; D117-C156 PolarHBondContact N-SG 3.07Å; R151-C156 VanDerWaalsContact CZ-O 3.29Å; R151-C156 PolarHBondContact NE-O 2.93Å; R151-C156 VanDerWaalsContact NE-O 3.1Å
157C82.4Confident65Low30 Ų3089.8 Ų89.820%0.20347%0.467CS..SBendtrans-84153.4-176.3-62.80000111.7C133C133-C157 WeakPolarHBondContact CA-SG 3.44Å; C133-C157 HydrophobicContact CB-CB 3.71Å; C133-C157 WeakPolarHBondContact CB-SG 3.08Å; C133-C157 WeakPolarHBondContact SG-CA 3.43Å; C133-C157 WeakPolarHBondContact SG-CB 2.96Å; C133-C157 CovalentContact SG-SG 2.04Å; C133-C157 PolarHBondContact SG-SG 3.31Å
158R79.9Confident63.7Low147 Ų14793.2 Ų93.256%0.55549%0.487SS*.EExtended strand (participates in β ladder)trans-70.3138.5168.1-62.8-179.3-169.4-170.74.8108.3F149 I150 R151F149-R158 HydrophobicContact CD1-CB 3.84Å; F149-R158 HydrophobicContact CD1-CG 4.44Å; F149-R158 HydrophobicContact CD2-CB 4.08Å; F149-R158 HydrophobicContact CE1-CB 3.56Å; F149-R158 HydrophobicContact CE1-CG 4.25Å; F149-R158 HydrophobicContact CE2-CB 3.81Å; F149-R158 WeakPolarHBondContact CE2-O 3.07Å; F149-R158 HydrophobicContact CG-CB 4.11Å; F149-R158 HydrophobicContact CZ-CB 3.54Å; I150-R158 VanDerWaalsContact O-CA 3.28Å; I150-R158 WeakPolarHBondContact O-CA 3.37Å; R151-R158 HydrophobicContact CB-CG 4.1Å
159E73Confident62.1Low74 Ų7495.4 Ų95.435%0.34651%0.506SS..EExtended strand (participates in β ladder)trans-120.5149.7177-71.5178.3-175.100108.5I150 K155 V161I150-E159 PolarHBondContact N-O 3.1Å; I150-E159 PolarHBondContact O-N 2.04Å; K155-E159 IonicContact NZ-OE1 2.72Å; K155-E159 PolarHBondContact NZ-OE1 3Å; K155-E159 IonicContact NZ-OE2 2.81Å; E159-V161 PolarHBondContact O-N 3.4Å; E159-V161 VanDerWaalsContact O-N 3.13Å
160W73.1Confident60.6Low73 Ų7397 Ų9728%0.27752%0.517SS..EExtended strand (participates in β ladder)trans-7699.5171.9-71.9102.2000108.8T136 R138 P147 Q148 F149T136-W160 PolarHBondContact O-NE1 3.47Å; R138-W160 HydrophobicContact CB-CB 4.31Å; R138-W160 HydrophobicContact CB-CD2 3.53Å; R138-W160 HydrophobicContact CB-CE3 4.17Å; R138-W160 HydrophobicContact CB-CG 3.6Å; R138-W160 HydrophobicContact CB-CZ2 4.16Å; R138-W160 HydrophobicContact CG-CG 4.43Å; P147-W160 HydrophobicContact CB-CE3 3.58Å; P147-W160 HydrophobicContact CB-CZ3 3.84Å; P147-W160 HydrophobicContact CG-CE3 4.34Å; P147-W160 HydrophobicContact CG-CZ3 4.12Å; Q148-W160 WeakPolarHBondContact O-CA 3.29Å; F149-W160 HydrophobicContact CB-CD2 4.21Å; F149-W160 HydrophobicContact CB-CE3 3.87Å; F149-W160 HydrophobicContact CB-CH2 4Å; F149-W160 HydrophobicContact CB-CZ2 4.23Å; F149-W160 HydrophobicContact CB-CZ3 3.8Å; F149-W160 AromaticContact CD2-CD1 3.84Å; F149-W160 AromaticContact CD2-CD2 3.66Å; F149-W160 HydrophobicContact CD2-CD2 3.66Å; F149-W160 AromaticContact CD2-CE2 3.55Å; F149-W160 HydrophobicContact CD2-CE3 4.2Å; F149-W160 AromaticContact CD2-CG 3.91Å; F149-W160 HydrophobicContact CD2-CG 3.91Å; F149-W160 HydrophobicContact CD2-CZ2 4.07Å; F149-W160 AromaticContact CD2-NE1 3.58Å; F149-W160 AromaticContact CE2-CD1 3.96Å; F149-W160 HydrophobicContact CE2-CD2 4.49Å; F149-W160 HydrophobicContact CE2-CG 4.45Å; F149-W160 AromaticContact CE2-NE1 3.7Å; F149-W160 HydrophobicContact CG-CD2 4.34Å; F149-W160 HydrophobicContact CG-CE3 4.49Å; F149-W160 HydrophobicContact CG-CZ2 4.24Å
161V69.1Low59.1Low42 Ų4299.7 Ų99.726%0.25553%0.528SS..EExtended strand (participates in β ladder)trans-91.8131.2167.3-76.70000109.3Q148 I150 L152 E159Q148-V161 HydrophobicContact CB-CG2 4.27Å; Q148-V161 PolarHBondContact N-O 3.13Å; Q148-V161 PolarHBondContact O-N 2.9Å; I150-V161 HydrophobicContact CD1-CG2 3.63Å; I150-V161 HydrophobicContact CG1-CG2 3.33Å; L152-V161 HydrophobicContact CD1-CG1 3.91Å; L152-V161 HydrophobicContact CD2-CG1 4.11Å; L152-V161 HydrophobicContact CG-CG1 4.35Å; E159-V161 PolarHBondContact O-N 3.4Å; E159-V161 VanDerWaalsContact O-N 3.13Å
162C61.4Low57.8Low22 Ų22101.1 Ų101.115%0.14955%0.545CS..EExtended strand (participates in β ladder)trans-94.6134.5163.7-60.90000105.6R138 C144 N164R138-C162 PolarHBondContact NH1-SG 3.38Å; R138-C162 PolarHBondContact NH2-SG 3.24Å; C144-C162 HydrophobicContact CB-CB 3.62Å; C144-C162 WeakPolarHBondContact CB-SG 3.4Å; C144-C162 WeakPolarHBondContact SG-CB 3.4Å; C144-C162 CovalentContact SG-SG 1.97Å; C144-C162 PolarHBondContact SG-SG 3.47Å; C162-N164 WeakPolarHBondContact CB-OD1 3.38Å; C162-N164 PolarHBondContact O-N 3.32Å
163E53Low56.6Low153 Ų153102 Ų10272%0.71556%0.561SS**  trans-66.678.5162.5-167.4171.2-161.600106.5L165E163-L165 PolarHBondContact O-N 2.95Å
164N42.6Very low55.9Low101 Ų101101.6 Ų101.654%0.5455%0.551SS.*  trans-64.1131166.5-71.1-1.8000104.9C162 E166C162-N164 WeakPolarHBondContact CB-OD1 3.38Å; C162-N164 PolarHBondContact O-N 3.32Å; N164-E166 PolarHBondContact O-N 3.38Å
165L41.7Very low54.5Low140 Ų140103.2 Ų103.273%0.73354%0.542SS*.SBendtrans-63.412.3178.7-149.480.7000113.4E163E163-L165 PolarHBondContact O-N 2.95Å
166E40.8Very low53.1Low147 Ų147102.4 Ų102.469%0.68755%0.554SS**  trans-146.496.1-171.4-64.4-177.4175.500108.9N164N164-E166 PolarHBondContact O-N 3.38Å
167N32.3Very low51.2Low154 Ų154107.9 Ų107.982%0.82458%0.578SS**  trans-114.781.2144.1-89.2-19.5000106.2V169N167-V169 VanDerWaalsContact C-N 3.29Å; N167-V169 PolarHBondContact O-N 2.82Å
168T41.8Very low49.1Very low97 Ų97114 Ų11460%0.59561%0.608SS**  trans-10.483132.932.30000114.7
169V38.1Very low47.3Very low137 Ų137113 Ų11383%0.8362%0.621SS**SBendtrans-120.833.8135.6-167.10000107.9N167N167-V169 VanDerWaalsContact C-N 3.29Å; N167-V169 PolarHBondContact O-N 2.82Å
170I45.9Very low45.6Very low111 Ų111113 Ų11357%0.56964%0.641SS**SBendtrans-131.448.7179-45.4-175.8000108.1I174I170-I174 HydrophobicContact CG2-CD1 3.66Å
171Q40.1Very low43.9Very low128 Ų128121.2 Ų121.260%0.59867%0.672SS**SBendtrans-143.3-12.6169-131.580.739.300115.2T175Q171-T175 PolarHBondContact O-OG1 2.66Å
172D42.1Very low42.3Very low156 Ų156124.9 Ų124.983%0.83470%0.699SS**SBendtrans-96-11.8171.7-69.3-19.9000113.6
173A42.7Very low41.1Very low74 Ų74127 Ų12761%0.61273%0.726SS**SBendtrans-93.5-17.9178.400000114.2
174I47.3Very low40.1Very low118 Ų118125.8 Ų125.861%0.60573%0.733SS**SBendtrans-95.3-17.9-176.9-59.7179.4000112I170I170-I174 HydrophobicContact CG2-CD1 3.66Å
175T44.8Very low39.6Very low125 Ų125126.9 Ų126.977%0.76774%0.744SS**SBendtrans-88.4-10.5177-41.80000113.1Q171Q171-T175 PolarHBondContact O-OG1 2.66Å
176A42Very low39.4Very low84 Ų84128 Ų12869%0.69475%0.747SS**SBendtrans-97.4-2.4-178.700000114.8
177M41.1Very low39.8Very low152 Ų152126.3 Ų126.375%0.74975%0.749SS**SBendtrans-139.779179.3-69.4-173.1-178.800111.3
178N38.7Very low39.8Very low158 Ų158122.4 Ų122.485%0.84575%0.746SS**  trans178.6108.7131.1-90.4-38.5000110.8
179P41.4Very low39.4Very low127 Ų127122.6 Ų122.683%0.82576%0.757SS**  trans-79.4122.6161.730.8-25.5000109.5
180G38.6Very low39.9Very low73 Ų73121.5 Ų121.575%0.75375%0.752SS**  trans82.9114.6149.800000118.8
181R36.2Very low39.6Very low246 Ų246122 Ų12293%0.92876%0.761SS**  167.3101.3125.5-97.5176.7165.9-161.3-4.2107.7
182S36.3Very low39.4Very low119 Ų119123.7 Ų123.783%0.83277%0.773SS**  69.6104.978.1-171.40000114.2
183G35.4Very low39.6Very low68 Ų68125.2 Ų125.270%0.70177%0.772SS**  trans64.5137.8148.200000117.7
184S32.5Very low39.3Very low126 Ų126130.2 Ų130.288%0.88178%0.783SS**  cis-169.9150.446.4-51.50000112
185T32Very low39.4Very low124 Ų124132.5 Ų132.576%0.76180%0.795SS**  trans-61145.1171.8-29.10000113
186M37Very low39.6Very low164 Ų164132.7 Ų132.781%0.80880%0.796SS**  16617391.1-101.8-42-101.200111.2
187P49.3Very low39.6Very low111 Ų111137.3 Ų137.372%0.72180%0.803SS**  trans-127.9177.3-131.143.9-28.2000117
188G32.3Very low39.7Very low73 Ų73135.2 Ų135.275%0.75380%0.801SS**  trans128.298.5155.300000115.7
189A34.5Very low40.2Very low100 Ų100132.3 Ų132.383%0.82680%0.799SS**  105.9162.5101.800000111.9
190P48.8Very low40.6Very low114 Ų114131.4 Ų131.474%0.7480%0.796SS**  -128.5176.1-106.533.5-12.1000116.5
191V37.8Very low41.8Very low123 Ų123133 Ų13375%0.74580%0.795SS**  trans73113.1158.2-147.70000118.7
192L36.8Very low43.4Very low163 Ų163123.7 Ų123.785%0.85377%0.767SS**  177.8141.5109.8-97.4150.8000112.4
193K46.8Very low45.4Very low188 Ų188122.8 Ų122.882%0.81776%0.757SS**  trans-55128.5-178.6-66164.2173.21760111.9
194Q36Very low47.6Very low179 Ų179125.7 Ų125.784%0.83675%0.752SS**  trans-143.299.2146.9-151.4101.20.300107.9
195L49.3Very low49.6Very low165 Ų165125 Ų12586%0.86474%0.735SS**  trans-60.8140.4157.6-79.3154.5000107.2
196V49.5Very low51.6Low130 Ų130121.2 Ų121.279%0.78872%0.716SS**  trans87.198.9178.9-168.20000113.7
197Q41.4Very low53.6Low180 Ų180117.1 Ų117.184%0.84170%0.7SS**  trans-169.1159.4142.7-84.1-116.8000108.9
198P43.4Very low55Low108 Ų108120 Ų12070%0.70170%0.704SS**  -98.8173.9-89.412.111.5000110.7S200P198-S200 PolarHBondContact O-N 2.98Å
199A48.5Very low57.3Low98 Ų98118.6 Ų118.681%0.8168%0.676SS**  trans-41.2111.9169.500000110.6S201A199-S201 PolarHBondContact O-N 3.01Å
200S49.8Very low59.5Low108 Ų108116.3 Ų116.376%0.75565%0.654SS**  trans-64.888.9167.8550000106.7P198 C202P198-S200 PolarHBondContact O-N 2.98Å; S200-C202 VanDerWaalsContact C-N 3.31Å; S200-C202 PolarHBondContact O-N 3.05Å
201S65Low61Low106 Ų106113.4 Ų113.474%0.74164%0.639SS**  trans18.567.8166.762.80000113.9A199 V203A199-S201 PolarHBondContact O-N 3.01Å; S201-V203 PolarHBondContact O-N 3.46Å
202C68Low63.2Low50 Ų50108 Ų10834%0.33861%0.607SS.*  trans-68.1103.3173179.90000106.5S200 E204 C231S200-C202 VanDerWaalsContact C-N 3.31Å; S200-C202 PolarHBondContact O-N 3.05Å; C202-E204 PolarHBondContact O-N 2.02Å; C202-C231 WeakPolarHBondContact CA-SG 3.35Å; C202-C231 HydrophobicContact CB-CB 3.83Å; C202-C231 WeakPolarHBondContact CB-SG 3.37Å; C202-C231 WeakPolarHBondContact SG-CB 3.42Å; C202-C231 CovalentContact SG-SG 2.02Å; C202-C231 PolarHBondContact SG-SG 2.82Å
203V79.3Confident65.3Low100 Ų100103.6 Ų103.661%0.60659%0.59SS**  trans-73.4100.5173.5-178.40000106.2S201 Q205 N226S201-V203 PolarHBondContact O-N 3.46Å; V203-Q205 HydrophobicContact CG1-CG 4.29Å; V203-Q205 PolarHBondContact O-N 2.86Å; V203-N226 PolarHBondContact O-ND2 2.74Å
204E81Confident66.8Low129 Ų12999.8 Ų99.860%0.60358%0.575SS**  trans-63123.3179.3-67.3-169.7-173.300110.3C202 N226 Q227C202-E204 PolarHBondContact O-N 2.02Å; E204-N226 WeakPolarHBondContact CA-OD1 3.09Å; E204-Q227 HydrophobicContact CB-CG 4.41Å; E204-Q227 HydrophobicContact CG-CG 4.37Å; E204-Q227 PolarHBondContact OE2-NE2 2.06Å
205Q74Confident68.9Low113 Ų11393.3 Ų93.353%0.52855%0.55SS..  trans-132.2122.7179.5-68.2-178-39.500107.9V203 S225 N226V203-Q205 HydrophobicContact CG1-CG 4.29Å; V203-Q205 PolarHBondContact O-N 2.86Å; Q205-S225 WeakPolarHBondContact O-CA 3.39Å; Q205-N226 PolarHBondContact N-OD1 2.89Å; Q205-N226 PolarHBondContact O-N 3.24Å; Q205-N226 PolarHBondContact O-OD1 3.13Å
206A76Confident70.5Confident44 Ų4487.3 Ų87.336%0.36452%0.521SS..BIsolated β-bridgetrans-134.8133173.100000109.3V224A206-V224 CarbonylContact C-O 3.55Å; A206-V224 WeakPolarHBondContact CA-O 3.35Å
207T78.1Confident72.1Confident77 Ų7781.8 Ų81.847%0.47249%0.49SS..PPolyproline II helixtrans-71.1161.2169.866.60000110.2V224T207-V224 HydrophobicContact CG2-CB 4.25Å; T207-V224 PolarHBondContact N-O 3.46Å; T207-V224 PolarHBondContact OG1-N 2.95Å; T207-V224 PolarHBondContact OG1-O 2.9Å
208Q77.7Confident74Confident172 Ų17277 Ų7780%0.80448%0.481SS*.PPolyproline II helixtrans-63.5149.9168.8-64.9-59.9-37.300110.1
209W82.3Confident75.9Confident44 Ų4472.2 Ų72.217%0.16745%0.452CS..PPolyproline II helixtrans-63.8137.8173.3-70.897.1000110.8R223 E236 R238W209-R223 HydrophobicContact CD2-CB 3.99Å; W209-R223 HydrophobicContact CD2-CG 3.92Å; W209-R223 HydrophobicContact CE3-CB 3.84Å; W209-R223 HydrophobicContact CE3-CG 3.83Å; W209-R223 HydrophobicContact CG-CB 4.46Å; W209-R223 HydrophobicContact CH2-CG 3.7Å; W209-R223 VanDerWaalsContact CZ2-CD 3.47Å; W209-R223 HydrophobicContact CZ2-CG 3.8Å; W209-R223 HydrophobicContact CZ3-CB 4.15Å; W209-R223 HydrophobicContact CZ3-CG 3.72Å; W209-E236 HydrophobicContact CH2-CB 3.96Å; W209-E236 HydrophobicContact CZ3-CB 4.44Å; W209-R238 VanDerWaalsContact CD1-CZ 3.45Å; W209-R238 HydrophobicContact CD2-CG 4.35Å; W209-R238 VanDerWaalsContact CD2-NE 3.3Å; W209-R238 HydrophobicContact CE3-CG 3.86Å; W209-R238 VanDerWaalsContact CG-NH2 3.28Å; W209-R238 HydrophobicContact CH2-CB 4.01Å; W209-R238 HydrophobicContact CH2-CG 3.83Å; W209-R238 HydrophobicContact CZ2-CG 4.3Å; W209-R238 HydrophobicContact CZ3-CB 4.08Å; W209-R238 HydrophobicContact CZ3-CG 3.59Å
210S79.7Confident77.4Confident51 Ų5170.5 Ų70.536%0.35743%0.432SS..PPolyproline II helixtrans-63.5160.1169.763.10000111.4S221 T222S210-S221 WeakPolarHBondContact O-CB 2.99Å; S210-T222 WeakPolarHBondContact CB-O 3.28Å; S210-T222 PolarHBondContact N-O 2.93Å; S210-T222 PolarHBondContact OG-N 2.85Å; S210-T222 PolarHBondContact OG-O 3.46Å; S210-T222 VanDerWaalsContact OG-O 3.09Å; S210-T222 PolarHBondContact OG-OG1 2.03Å
211A81.1Confident78.6Confident53 Ų5365.4 Ų65.444%0.43840%0.396SS..PPolyproline II helixtrans-57.6150.6170.200000110.2S213 P337A211-S213 PolarHBondContact O-N 2.06Å; A211-P337 HydrophobicContact CB-CB 3.61Å; A211-P337 HydrophobicContact CB-CG 3.87Å
212C82.6Confident79Confident9 Ų962.8 Ų62.86%0.06138%0.375CS..PPolyproline II helixtrans-59.1143.2175.2-165.30000109.3Q214 C240 V242 Y338C212-Q214 PolarHBondContact O-N 3.28Å; C212-Q214 VanDerWaalsContact O-N 3.16Å; C212-C240 WeakPolarHBondContact CA-SG 3.39Å; C212-C240 HydrophobicContact CB-CB 3.87Å; C212-C240 WeakPolarHBondContact CB-SG 2.99Å; C212-C240 WeakPolarHBondContact SG-CB 3.31Å; C212-C240 CovalentContact SG-SG 2.03Å; C212-C240 PolarHBondContact SG-SG 3.3Å; C212-V242 HydrophobicContact CB-CG2 3.72Å; C212-Y338 WeakPolarHBondContact CB-OH 3.48Å; C212-Y338 PolarHBondContact N-OH 3.26Å; C212-Y338 WeakPolarHBondContact O-CE1 3.3Å; C212-Y338 PolarHBondContact O-OH 3.07Å
213S81.3Confident79.4Confident72 Ų7262.5 Ų62.550%0.50337%0.367SS..SBendtrans-65.7-16.6179.161.90000114.1A211 G219 V220A211-S213 PolarHBondContact O-N 2.06Å; S213-G219 WeakPolarHBondContact OG-CA 3.25Å; S213-V220 PolarHBondContact N-O 3.38Å; S213-V220 PolarHBondContact OG-N 2.81Å
214Q78.8Confident79.2Confident107 Ų10760.5 Ų60.550%0.536%0.355SS..  trans-130.9139.1-177.9-66-67.9-7.600110.8C212 C216C212-Q214 PolarHBondContact O-N 3.28Å; C212-Q214 VanDerWaalsContact O-N 3.16Å; Q214-C216 WeakPolarHBondContact CB-O 2.94Å
215S79.5Confident78.8Confident43 Ų4354.3 Ų54.330%0.30133%0.326SS..SBendtrans-79.7-19-178.773.40000113.3R243S215-R243 VanDerWaalsContact O-CG 3.28Å; S215-R243 WeakPolarHBondContact O-CG 3.36Å; S215-R243 PolarHBondContact O-NE 2.73Å
216C83.7Confident79Confident39 Ų3949.4 Ų49.426%0.26430%0.303SS..SBendtrans-143.2163.6168.2770000109.6Q214 R243 C245Q214-C216 WeakPolarHBondContact CB-O 2.94Å; C216-R243 CarbonylContact C-O 3.54Å; C216-R243 VanDerWaalsContact CA-O 3.27Å; C216-R243 WeakPolarHBondContact CA-O 3.35Å; C216-R243 HydrophobicContact CB-CG 3.85Å; C216-C245 HydrophobicContact CB-CB 4.1Å; C216-C245 WeakPolarHBondContact CB-SG 3.15Å; C216-C245 WeakPolarHBondContact SG-CB 3.28Å; C216-C245 CovalentContact SG-SG 2.06Å; C216-C245 PolarHBondContact SG-SG 3Å
217G82.8Confident78.8Confident14 Ų1451.5 Ų51.514%0.14431%0.306CS..SBendtrans75.3-167179.500000112.7K241 R243 C245G217-K241 WeakPolarHBondContact O-CA 3.15Å; G217-K241 WeakPolarHBondContact O-CG 3.11Å; G217-R243 PolarHBondContact N-O 3.27Å; G217-C245 PolarHBondContact N-SG 2.91Å
218A82.2Confident78.7Confident79 Ų7949.3 Ų49.365%0.65329%0.291SS*.SBendtrans-80.7133.4178.800000110.4
219G83Confident78.6Confident8 Ų848.3 Ų48.38%0.08230%0.299CS..EExtended strand (participates in β ladder)trans-143.7-170.4176.300000111.9S213 C240S213-G219 WeakPolarHBondContact OG-CA 3.25Å; G219-C240 PolarHBondContact N-O 3.48Å; G219-C240 PolarHBondContact O-N 3.43Å
220V79.8Confident78.2Confident63 Ų6349.1 Ų49.138%0.38232%0.316SS..EExtended strand (participates in β ladder)trans-128.6141.1-179.1-175.90000110S213 T222 L239 C240S213-V220 PolarHBondContact N-O 3.38Å; S213-V220 PolarHBondContact OG-N 2.81Å; V220-T222 HydrophobicContact CG1-CG2 4.42Å; V220-L239 HydrophobicContact CG2-CD2 4.48Å; V220-C240 VanDerWaalsContact CA-SG 3.6Å; V220-C240 PolarHBondContact N-SG 2.89Å
221S75.6Confident77.8Confident1 Ų149.1 Ų49.11%0.00732%0.315CS..EExtended strand (participates in β ladder)trans-122.9149.516956.10000109.3S210 T237 R238S210-S221 WeakPolarHBondContact O-CB 2.99Å; S221-T237 WeakPolarHBondContact O-CA 2.94Å; S221-R238 PolarHBondContact N-O 3.5Å; S221-R238 PolarHBondContact O-N 2.89Å; S221-R238 WeakPolarHBondContact OG-CG 3.06Å; S221-R238 PolarHBondContact OG-NE 3.19Å; S221-R238 VanDerWaalsContact OG-NE 3.12Å; S221-R238 PolarHBondContact OG-O 3.16Å
222T72.2Confident77.4Confident50 Ų5051.2 Ų51.231%0.30731%0.314SS..EExtended strand (participates in β ladder)trans-130.1150.6-172.258.60000111S210 V220 E236 T237S210-T222 WeakPolarHBondContact CB-O 3.28Å; S210-T222 PolarHBondContact N-O 2.93Å; S210-T222 PolarHBondContact OG-N 2.85Å; S210-T222 PolarHBondContact OG-O 3.46Å; S210-T222 VanDerWaalsContact OG-O 3.09Å; S210-T222 PolarHBondContact OG-OG1 2.03Å; V220-T222 HydrophobicContact CG1-CG2 4.42Å; T222-E236 CarbonylContact C-O 3.58Å; T222-E236 VanDerWaalsContact CA-O 3.24Å; T222-E236 WeakPolarHBondContact CA-O 3.4Å; T222-T237 HydrophobicContact CG2-CG2 3.92Å
223R77.8Confident76.6Confident44 Ų4455.7 Ų55.717%0.16634%0.337CS..EExtended strand (participates in β ladder)trans-145.4168.2168.371.4172.9176.4166.19.9109.7W209 M235 E236W209-R223 HydrophobicContact CD2-CB 3.99Å; W209-R223 HydrophobicContact CD2-CG 3.92Å; W209-R223 HydrophobicContact CE3-CB 3.84Å; W209-R223 HydrophobicContact CE3-CG 3.83Å; W209-R223 HydrophobicContact CG-CB 4.46Å; W209-R223 HydrophobicContact CH2-CG 3.7Å; W209-R223 VanDerWaalsContact CZ2-CD 3.47Å; W209-R223 HydrophobicContact CZ2-CG 3.8Å; W209-R223 HydrophobicContact CZ3-CB 4.15Å; W209-R223 HydrophobicContact CZ3-CG 3.72Å; R223-M235 CarbonylContact O-C 2.93Å; R223-M235 WeakPolarHBondContact O-CA 3.15Å; R223-E236 HydrophobicContact CG-CB 3.94Å; R223-E236 IonicContact CZ-OE2 3.14Å; R223-E236 PolarHBondContact N-O 2.93Å; R223-E236 IonicContact NE-OE2 2.74Å; R223-E236 PolarHBondContact NE-OE2 2.89Å; R223-E236 IonicContact NH2-OE1 3.42Å; R223-E236 PolarHBondContact NH2-OE1 3.3Å; R223-E236 IonicContact NH2-OE2 2.73Å; R223-E236 PolarHBondContact NH2-OE2 2.81Å; R223-E236 PolarHBondContact O-N 3.23Å
224V73.8Confident75.7Confident58 Ų5856.7 Ų56.735%0.35233%0.334SS..EExtended strand (participates in β ladder)trans-109.9130.6168.8-177.50000107.8A206 T207 L233 Q234A206-V224 CarbonylContact C-O 3.55Å; A206-V224 WeakPolarHBondContact CA-O 3.35Å; T207-V224 HydrophobicContact CG2-CB 4.25Å; T207-V224 PolarHBondContact N-O 3.46Å; T207-V224 PolarHBondContact OG1-N 2.95Å; T207-V224 PolarHBondContact OG1-O 2.9Å; V224-L233 HydrophobicContact CG1-CB 3.95Å; V224-L233 HydrophobicContact CG1-CD2 3.99Å; V224-Q234 CarbonylContact C-O 3.58Å; V224-Q234 VanDerWaalsContact CA-O 3.32Å; V224-Q234 WeakPolarHBondContact CA-O 3.06Å
225S72.9Confident75.2Confident0 Ų058 Ų580%034%0.341CS..EExtended strand (participates in β ladder)trans-149.5139.8-173.1165.80000110.1Q205 Q227 Q234 E236Q205-S225 WeakPolarHBondContact O-CA 3.39Å; S225-Q227 WeakPolarHBondContact OG-CB 3.41Å; S225-Q227 WeakPolarHBondContact OG-CG 3Å; S225-Q227 PolarHBondContact OG-N 2.93Å; S225-Q227 VanDerWaalsContact OG-N 3.16Å; S225-Q234 PolarHBondContact N-O 2.04Å; S225-Q234 PolarHBondContact O-N 3.12Å; S225-E236 WeakPolarHBondContact CB-OE1 3.18Å; S225-E236 PolarHBondContact OG-OE1 2.75Å
226N77.9Confident75.2Confident9 Ų958.3 Ų58.35%0.04834%0.338CS..  trans-9712.7172.270.8-6.5000113.1V203 E204 Q205 N228 C231 K232 L233V203-N226 PolarHBondContact O-ND2 2.74Å; E204-N226 WeakPolarHBondContact CA-OD1 3.09Å; Q205-N226 PolarHBondContact N-OD1 2.89Å; Q205-N226 PolarHBondContact O-N 3.24Å; Q205-N226 PolarHBondContact O-OD1 3.13Å; N226-N228 PolarHBondContact O-N 3Å; N226-C231 WeakPolarHBondContact O-CA 3.45Å; N226-K232 WeakPolarHBondContact CA-O 3.37Å; N226-L233 HydrophobicContact CB-CD2 3.93Å; N226-L233 HydrophobicContact CB-CG 4.13Å
227Q72.9Confident74.9Confident88 Ų8860.3 Ų60.341%0.41135%0.349SS..  trans-74.665176.9-62.9-178-27.800111.4E204 S225E204-Q227 HydrophobicContact CB-CG 4.41Å; E204-Q227 HydrophobicContact CG-CG 4.37Å; E204-Q227 PolarHBondContact OE2-NE2 2.06Å; S225-Q227 WeakPolarHBondContact OG-CB 3.41Å; S225-Q227 WeakPolarHBondContact OG-CG 3Å; S225-Q227 PolarHBondContact OG-N 2.93Å; S225-Q227 VanDerWaalsContact OG-N 3.16Å
228N75.6Confident75.1Confident31 Ų3159.9 Ų59.917%0.16634%0.343CS..SBendtrans-137.7162.317354.464.2000109.9N226 A230 C231 K232 Q234N226-N228 PolarHBondContact O-N 3Å; N228-A230 PolarHBondContact O-N 2.96Å; N228-A230 WeakPolarHBondContact OD1-CA 3.36Å; N228-A230 PolarHBondContact OD1-N 3.36Å; N228-C231 PolarHBondContact O-N 2.78Å; N228-C231 PolarHBondContact OD1-N 3.46Å; N228-K232 PolarHBondContact ND2-O 2.87Å; N228-K232 PolarHBondContact OD1-N 3.09Å; N228-Q234 PolarHBondContact ND2-OE1 2.89Å; N228-Q234 VanDerWaalsContact ND2-OE1 3.16Å
229P74.8Confident75.3Confident151 Ų15157.8 Ų57.898%0.98132%0.321SS*.THydrogen-bonded Turntrans-56.9-19.6-179.1-26.235.3000114.4
230A74.4Confident75.5Confident62 Ų6257.6 Ų57.651%0.51232%0.319SS..THydrogen-bonded Turntrans-92.4-4.7178.300000113.8N228 K232N228-A230 PolarHBondContact O-N 2.96Å; N228-A230 WeakPolarHBondContact OD1-CA 3.36Å; N228-A230 PolarHBondContact OD1-N 3.36Å; A230-K232 HydrophobicContact CB-CD 4.44Å; A230-K232 HydrophobicContact CB-CG 4.25Å; A230-K232 WeakPolarHBondContact O-CG 3.05Å; A230-K232 PolarHBondContact O-N 2.96Å
231C72.1Confident76Confident50 Ų5058.1 Ų58.134%0.33832%0.316SS..  trans51.934.8-174.3-167.20000114.1C202 N226 N228C202-C231 WeakPolarHBondContact CA-SG 3.35Å; C202-C231 HydrophobicContact CB-CB 3.83Å; C202-C231 WeakPolarHBondContact CB-SG 3.37Å; C202-C231 WeakPolarHBondContact SG-CB 3.42Å; C202-C231 CovalentContact SG-SG 2.02Å; C202-C231 PolarHBondContact SG-SG 2.82Å; N226-C231 WeakPolarHBondContact O-CA 3.45Å; N228-C231 PolarHBondContact O-N 2.78Å; N228-C231 PolarHBondContact OD1-N 3.46Å
232K70.9Confident76.6Confident97 Ų9758.1 Ų58.142%0.42232%0.315SS..  trans-106.9135.6-178.3-68.7-174.6-178-178.10111N226 N228 A230 Q234N226-K232 WeakPolarHBondContact CA-O 3.37Å; N228-K232 PolarHBondContact ND2-O 2.87Å; N228-K232 PolarHBondContact OD1-N 3.09Å; A230-K232 HydrophobicContact CB-CD 4.44Å; A230-K232 HydrophobicContact CB-CG 4.25Å; A230-K232 WeakPolarHBondContact O-CG 3.05Å; A230-K232 PolarHBondContact O-N 2.96Å; K232-Q234 PolarHBondContact O-N 3.44Å; K232-Q234 VanDerWaalsContact O-N 3.12Å
233L67.1Low77.4Confident103 Ų10358.1 Ų58.154%0.53931%0.31SS..  trans-59.4120.1174-72.6166.1000110V224 N226V224-L233 HydrophobicContact CG1-CB 3.95Å; V224-L233 HydrophobicContact CG1-CD2 3.99Å; N226-L233 HydrophobicContact CB-CD2 3.93Å; N226-L233 HydrophobicContact CB-CG 4.13Å
234Q62Low77.8Confident93 Ų9357.9 Ų57.944%0.43531%0.314SS..EExtended strand (participates in β ladder)trans-132.4150.7180-73.5-176.9-26.300110.4V224 S225 N228 K232 E236V224-Q234 CarbonylContact C-O 3.58Å; V224-Q234 VanDerWaalsContact CA-O 3.32Å; V224-Q234 WeakPolarHBondContact CA-O 3.06Å; S225-Q234 PolarHBondContact N-O 2.04Å; S225-Q234 PolarHBondContact O-N 3.12Å; N228-Q234 PolarHBondContact ND2-OE1 2.89Å; N228-Q234 VanDerWaalsContact ND2-OE1 3.16Å; K232-Q234 PolarHBondContact O-N 3.44Å; K232-Q234 VanDerWaalsContact O-N 3.12Å; Q234-E236 PolarHBondContact O-N 2.88Å
235M68.9Low78.2Confident134 Ų13458.8 Ų58.866%0.6632%0.322SS*.EExtended strand (participates in β ladder)trans-76.9114.8173-172177.868.300110.1R223 T237R223-M235 CarbonylContact O-C 2.93Å; R223-M235 WeakPolarHBondContact O-CA 3.15Å; M235-T237 HydrophobicContact CE-CG2 4.29Å
236E78.4Confident78Confident50 Ų5062.8 Ų62.823%0.23436%0.363CS..EExtended strand (participates in β ladder)trans-94.4143.2171.7-66.8-178.5-163.500110.4W209 T222 R223 S225 Q234W209-E236 HydrophobicContact CH2-CB 3.96Å; W209-E236 HydrophobicContact CZ3-CB 4.44Å; T222-E236 CarbonylContact C-O 3.58Å; T222-E236 VanDerWaalsContact CA-O 3.24Å; T222-E236 WeakPolarHBondContact CA-O 3.4Å; R223-E236 HydrophobicContact CG-CB 3.94Å; R223-E236 IonicContact CZ-OE2 3.14Å; R223-E236 PolarHBondContact N-O 2.93Å; R223-E236 IonicContact NE-OE2 2.74Å; R223-E236 PolarHBondContact NE-OE2 2.89Å; R223-E236 IonicContact NH2-OE1 3.42Å; R223-E236 PolarHBondContact NH2-OE1 3.3Å; R223-E236 IonicContact NH2-OE2 2.73Å; R223-E236 PolarHBondContact NH2-OE2 2.81Å; R223-E236 PolarHBondContact O-N 3.23Å; S225-E236 WeakPolarHBondContact CB-OE1 3.18Å; S225-E236 PolarHBondContact OG-OE1 2.75Å; Q234-E236 PolarHBondContact O-N 2.88Å
237T77.9Confident76.9Confident81 Ų8165.2 Ų65.250%0.49739%0.385SS..EExtended strand (participates in β ladder)trans-126.3141.8176.772.30000110.5S221 T222 M235S221-T237 WeakPolarHBondContact O-CA 2.94Å; T222-T237 HydrophobicContact CG2-CG2 3.92Å; M235-T237 HydrophobicContact CE-CG2 4.29Å
238R87.8Confident75.5Confident6 Ų667.8 Ų67.82%0.02341%0.406CS..EExtended strand (participates in β ladder)trans-138.4148.4173.572.5-178.5-179.3175.20.7111.3W209 S221 T305 S306 T307 A323 M325W209-R238 VanDerWaalsContact CD1-CZ 3.45Å; W209-R238 HydrophobicContact CD2-CG 4.35Å; W209-R238 VanDerWaalsContact CD2-NE 3.3Å; W209-R238 HydrophobicContact CE3-CG 3.86Å; W209-R238 VanDerWaalsContact CG-NH2 3.28Å; W209-R238 HydrophobicContact CH2-CB 4.01Å; W209-R238 HydrophobicContact CH2-CG 3.83Å; W209-R238 HydrophobicContact CZ2-CG 4.3Å; W209-R238 HydrophobicContact CZ3-CB 4.08Å; W209-R238 HydrophobicContact CZ3-CG 3.59Å; S221-R238 PolarHBondContact N-O 3.5Å; S221-R238 PolarHBondContact O-N 2.89Å; S221-R238 WeakPolarHBondContact OG-CG 3.06Å; S221-R238 PolarHBondContact OG-NE 3.19Å; S221-R238 VanDerWaalsContact OG-NE 3.12Å; S221-R238 PolarHBondContact OG-O 3.16Å; R238-T305 PolarHBondContact NH2-OG1 2.78Å; R238-S306 PolarHBondContact NH1-O 3.31Å; R238-T307 HydrophobicContact CB-CG2 4.34Å; R238-T307 VanDerWaalsContact CD-OG1 3.29Å; R238-T307 WeakPolarHBondContact CD-OG1 3.41Å; R238-T307 PolarHBondContact NH1-OG1 2.96Å; R238-A323 CarbonylContact C-O 3.54Å; R238-A323 WeakPolarHBondContact CA-O 3.07Å; R238-A323 HydrophobicContact CB-CB 3.73Å; R238-M325 PolarHBondContact NH2-SD 3.01Å; R238-M325 VanDerWaalsContact NH2-SD 3.4Å
239L86.4Confident74.3Confident34 Ų3471.9 Ų71.918%0.17842%0.424CS..EExtended strand (participates in β ladder)trans-70138.2173.3-57.7178.6000109.9V220 H277 K322 A323 V324 M325V220-L239 HydrophobicContact CG2-CD2 4.48Å; L239-H277 HydrophobicContact CD1-CB 4.16Å; L239-K322 HydrophobicContact CD1-CB 4.02Å; L239-K322 HydrophobicContact CD1-CG 4.39Å; L239-A323 PolarHBondContact N-O 2.8Å; L239-V324 HydrophobicContact CB-CG2 4.29Å; L239-V324 HydrophobicContact CD1-CG2 4.34Å; L239-V324 CarbonylContact O-C 3.51Å; L239-V324 WeakPolarHBondContact O-CA 3.4Å; L239-M325 WeakPolarHBondContact O-CB 3.36Å; L239-M325 PolarHBondContact O-N 2.93Å
240C87.2Confident72.7Confident5 Ų570.9 Ų70.93%0.03442%0.418CS..EExtended strand (participates in β ladder)trans-132.8150.3178.856.70000111.2C212 G219 V220 M325C212-C240 WeakPolarHBondContact CA-SG 3.39Å; C212-C240 HydrophobicContact CB-CB 3.87Å; C212-C240 WeakPolarHBondContact CB-SG 2.99Å; C212-C240 WeakPolarHBondContact SG-CB 3.31Å; C212-C240 CovalentContact SG-SG 2.03Å; C212-C240 PolarHBondContact SG-SG 3.3Å; G219-C240 PolarHBondContact N-O 3.48Å; G219-C240 PolarHBondContact O-N 3.43Å; V220-C240 VanDerWaalsContact CA-SG 3.6Å; V220-C240 PolarHBondContact N-SG 2.89Å; C240-M325 HydrophobicContact CB-CB 4.1Å; C240-M325 HydrophobicContact CB-CE 3.52Å; C240-M325 HydrophobicContact CB-SD 3.96Å
241K88.8Confident71Confident74 Ų7472.3 Ų72.332%0.32243%0.429SS..  trans-147100.6174-180168.9-175.5177.80109.3G217 Y290G217-K241 WeakPolarHBondContact O-CA 3.15Å; G217-K241 WeakPolarHBondContact O-CG 3.11Å; K241-Y290 HydrophobicContact CD-CE1 4.09Å; K241-Y290 HydrophobicContact CG-CE1 3.89Å
242V89.7Confident69.7Low0 Ų077.7 Ų77.70%045%0.454CS..SBendtrans-69.5-41.4-176.8-178.70000111.1C212 Y290 C291 P302C212-V242 HydrophobicContact CB-CG2 3.72Å; V242-Y290 WeakPolarHBondContact O-CA 3.33Å; V242-Y290 WeakPolarHBondContact O-CB 3.46Å; V242-C291 HydrophobicContact CG1-CB 3.89Å; V242-C291 PolarHBondContact O-N 3.4Å; V242-P302 HydrophobicContact CG1-CG 4.43Å; V242-P302 HydrophobicContact CG2-CG 4.17Å
243R88.1Confident68.3Low50 Ų5084.8 Ų84.819%0.18948%0.478CS..SBendtrans-162154178.952.7-171.6146.4-156.2-3.5110.5S215 C216 G217 G292S215-R243 VanDerWaalsContact O-CG 3.28Å; S215-R243 WeakPolarHBondContact O-CG 3.36Å; S215-R243 PolarHBondContact O-NE 2.73Å; C216-R243 CarbonylContact C-O 3.54Å; C216-R243 VanDerWaalsContact CA-O 3.27Å; C216-R243 WeakPolarHBondContact CA-O 3.35Å; C216-R243 HydrophobicContact CB-CG 3.85Å; G217-R243 PolarHBondContact N-O 3.27Å; R243-G292 PolarHBondContact NH1-O 2.67Å
244P86.4Confident66.7Low39 Ų3989 Ų8925%0.25349%0.492SS..  trans-63148.6168.6-17.832.3000111.7Y267 Y290P244-Y267 VanDerWaalsContact CD-OH 3.3Å; P244-Y267 WeakPolarHBondContact CD-OH 3.43Å; P244-Y290 HydrophobicContact CG-CD2 4.2Å; P244-Y290 HydrophobicContact CG-CE1 4.45Å; P244-Y290 HydrophobicContact CG-CE2 3.84Å
245C81.5Confident65.6Low78 Ų7889.3 Ų89.353%0.52750%0.502SS..THydrogen-bonded Turntrans-83.3136.4167.7-55.10000108.7C216 G217C216-C245 HydrophobicContact CB-CB 4.1Å; C216-C245 WeakPolarHBondContact CB-SG 3.15Å; C216-C245 WeakPolarHBondContact SG-CB 3.28Å; C216-C245 CovalentContact SG-SG 2.06Å; C216-C245 PolarHBondContact SG-SG 3Å; G217-C245 PolarHBondContact N-SG 2.91Å
246G68.1Low64.2Low83 Ų8394.1 Ų94.186%0.85651%0.513SS*.THydrogen-bonded Turntrans90.58.2174.500000117.5V248G246-V248 PolarHBondContact O-N 3.46Å
247A55.3Low62.2Low61 Ų61103.9 Ų103.950%0.50455%0.547SS..  trans-8010517200000110.6Q249A247-Q249 PolarHBondContact O-N 2.97Å
248V44.3Very low60.6Low141 Ų141103.6 Ų103.686%0.85556%0.56SS**PPolyproline II helixtrans-53122.7158.6176.30000107.3G246G246-V248 PolarHBondContact O-N 3.46Å
249Q49.6Very low58.5Low118 Ų118109.6 Ų109.655%0.55159%0.589SS**PPolyproline II helixtrans-61137.5-177.5-60179.71900110.1A247 A251A247-Q249 PolarHBondContact O-N 2.97Å; Q249-A251 PolarHBondContact O-N 1.97Å
250P41.2Very low56.2Low130 Ų130117.8 Ų117.884%0.84463%0.626SS**PPolyproline II helixtrans-62.3127.1158.13.76.8000108.1
251A39.5Very low54.3Low91 Ų91120.6 Ų120.675%0.75266%0.656SS**PPolyproline II helixtrans-49143.5-17100000115Q249 R253Q249-A251 PolarHBondContact O-N 1.97Å; A251-R253 PolarHBondContact O-N 2.85Å; A251-R253 VanDerWaalsContact O-N 3.07Å
252L45.1Very low52.6Low163 Ų163126.8 Ų126.885%0.85368%0.677SS**  trans-29.5100.2164.8-168.878.3000113.7
253R40Very low51Low246 Ų246127.4 Ų127.493%0.92868%0.681SS**PPolyproline II helixtrans-80.8118.6159.6-78.3-168.9167.4176-2.5108.8A251A251-R253 PolarHBondContact O-N 2.85Å; A251-R253 VanDerWaalsContact O-N 3.07Å
254K35Very low49.6Very low192 Ų192131.3 Ų131.384%0.83570%0.7SS**PPolyproline II helixtrans-47.7139.8-179-69.4178178.11790112
255P39.2Very low48.4Very low99 Ų99130.8 Ų130.864%0.64370%0.699SS**PPolyproline II helixtrans-75.4130.3-175.728.7-31.9000112.2
256R38.8Very low48.4Very low235 Ų235128.8 Ų128.889%0.88769%0.686SS**PPolyproline II helixtrans-71.5133.9152.2-76.4-174.8174.9-176.7-1.8108.4
257R37.3Very low49.1Very low255 Ų255129 Ų12996%0.96266%0.661SS**SBendtrans-64.3140.3179.1-67.3-179.2-160.5-141.12.1109.8
258G43.6Very low50.6Low75 Ų75132.2 Ų132.277%0.77366%0.66SS**  trans123.518.2163.600000119
259Q43.8Very low52.6Low132 Ų132125.7 Ų125.762%0.61762%0.621SS**  trans-137.686.8172.1-70.4-171.5-12.600111.4
260Q38.3Very low54Low207 Ų207127 Ų12797%0.96764%0.639SS**  trans-77.4120.9163.4-91.8155.3-46.900108.3
261G47.3Very low56.1Low63 Ų63121.9 Ų121.965%0.64961%0.611SS**SBendtrans130.2-13.6166.200000117.5
262W51.6Low58.5Low205 Ų205122 Ų12278%0.77760%0.603SS**SBendtrans-104.3133.1179.7-75.87.7000112K264W262-K264 VanDerWaalsContact C-N 3.35Å; W262-K264 PolarHBondContact O-N 2.9Å
263C56.1Low60.5Low12 Ų12116.9 Ų116.98%0.08158%0.576CS.*  trans-64.397.5169.9179.70000107.9A265 S266 C300 C330C263-A265 PolarHBondContact O-N 3.35Å; C263-S266 PolarHBondContact O-N 2.84Å; C263-C300 HydrophobicContact CB-CB 4.45Å; C263-C300 WeakPolarHBondContact CB-SG 3.23Å; C263-C300 WeakPolarHBondContact SG-CB 3.48Å; C263-C300 CovalentContact SG-SG 2.06Å; C263-C300 PolarHBondContact SG-SG 2.95Å; C263-C330 HydrophobicContact CB-CB 4.39Å; C263-C330 WeakPolarHBondContact CB-O 3.37Å
264K59.3Low62.8Low133 Ų133112 Ų11258%0.57856%0.558SS**THydrogen-bonded Turntrans-59.6-5.9-179.6-70.9-177.3177.9177.40113.8W262W262-K264 VanDerWaalsContact C-N 3.35Å; W262-K264 PolarHBondContact O-N 2.9Å
265A61.9Low65.3Low28 Ų28103.8 Ų103.823%0.23152%0.523CS..THydrogen-bonded Turntrans-11418.6-172.200000115C263 G292 Q293C263-A265 PolarHBondContact O-N 3.35Å; A265-G292 WeakPolarHBondContact O-CA 2.93Å; A265-G292 PolarHBondContact O-N 3.35Å; A265-Q293 WeakPolarHBondContact CB-O 3.4Å
266S80.3Confident67.4Low36 Ų36103.1 Ų103.125%0.25252%0.517SS..EExtended strand (participates in β ladder)trans-74.6133.5163.479.60000109.9C263 R289 Y290C263-S266 PolarHBondContact O-N 2.84Å; S266-R289 PolarHBondContact OG-NH1 2.88Å; S266-Y290 CarbonylContact C-O 3.58Å; S266-Y290 VanDerWaalsContact CA-O 3.23Å; S266-Y290 WeakPolarHBondContact CA-O 3.33Å
267Y84.2Confident69.5Low87 Ų8793.5 Ų93.534%0.34148%0.482SS..EExtended strand (participates in β ladder)trans-137.6158.7-179.867-81000110.6P244 R289 Y290P244-Y267 VanDerWaalsContact CD-OH 3.3Å; P244-Y267 WeakPolarHBondContact CD-OH 3.43Å; Y267-R289 CarbonylContact O-C 3.48Å; Y267-R289 WeakPolarHBondContact O-CA 3.35Å; Y267-Y290 HydrophobicContact CD2-CD2 4.35Å; Y267-Y290 AromaticContact CE2-CD2 3.72Å; Y267-Y290 HydrophobicContact CE2-CD2 3.72Å; Y267-Y290 HydrophobicContact CE2-CG 4.38Å; Y267-Y290 AromaticContact CZ-CD2 3.96Å; Y267-Y290 PolarHBondContact N-O 3.46Å; Y267-Y290 PolarHBondContact O-N 2.91Å
268R86.6Confident71.8Confident129 Ų12989.3 Ų89.349%0.48747%0.473SS..EExtended strand (participates in β ladder)trans-96.2155.1175.1-66.9-178.3-176.6-107.95.8110.1L288R268-L288 CarbonylContact C-O 3.55Å; R268-L288 VanDerWaalsContact CA-O 3.26Å; R268-L288 WeakPolarHBondContact CA-O 3.32Å
269S85.4Confident73.6Confident4 Ų487.6 Ų87.63%0.02846%0.455CS..  trans-55.7145.8167.356.40000110G271 L288S269-G271 WeakPolarHBondContact CB-O 3.27Å; S269-G271 PolarHBondContact O-N 2.95Å; S269-G271 PolarHBondContact OG-O 2.79Å; S269-L288 PolarHBondContact N-O 2.97Å; S269-L288 PolarHBondContact OG-N 3.19Å
270P80.4Confident75.5Confident145 Ų14581.8 Ų81.894%0.94243%0.429SS*.SBendtrans-54.4-25.9-178.8-27.434.6000114.2
271G84Confident77.9Confident23 Ų2376.7 Ų76.724%0.23740%0.404CS..SBendtrans-159.8-172.5169.400000110.7S269 I273S269-G271 WeakPolarHBondContact CB-O 3.27Å; S269-G271 PolarHBondContact O-N 2.95Å; S269-G271 PolarHBondContact OG-O 2.79Å; G271-I273 PolarHBondContact O-N 3.4Å
272P89.8Confident79.9Confident93 Ų9373.7 Ų73.760%0.60437%0.373SS*.  trans-61.5127.5171.1-20.333.2000110.6A285P272-A285 HydrophobicContact CB-CB 3.71Å
273I87.1Confident81.7Confident55 Ų5566.2 Ų66.228%0.28235%0.35SS..BIsolated β-bridgetrans-120150.9179.457.9166.4000110.7G271 A285 Y286 L288 Y290G271-I273 PolarHBondContact O-N 3.4Å; I273-A285 CarbonylContact O-C 3.56Å; I273-A285 WeakPolarHBondContact O-CA 3.23Å; I273-Y286 WeakPolarHBondContact CG1-O 3.17Å; I273-Y286 PolarHBondContact N-O 2.81Å; I273-Y286 PolarHBondContact O-N 2.91Å; I273-L288 HydrophobicContact CD1-CD1 4.28Å; I273-Y290 VanDerWaalsContact CD1-OH 3.32Å; I273-Y290 WeakPolarHBondContact CD1-OH 2.85Å
274R88.4Confident83.4Confident145 Ų14571.4 Ų71.455%0.54737%0.373SS..  trans-81.4138.3169.6-69.8-173.8180-116.73.6110.2S282 T283 A285R274-S282 WeakPolarHBondContact CA-OG 3.44Å; R274-S282 PolarHBondContact NH1-O 2.83Å; R274-T283 PolarHBondContact NH1-O 3.19Å; R274-T283 VanDerWaalsContact NH1-O 3.11Å; R274-A285 HydrophobicContact CG-CB 4.41Å
275L87Confident84.9Confident19 Ų1967.6 Ų67.610%0.09937%0.366CS..  trans-82.5147175.1-50.8-174.6000109.2F281 S282 Y286 L288 V310 F312 V324L275-F281 CarbonylContact O-C 3.52Å; L275-F281 WeakPolarHBondContact O-CA 3.3Å; L275-S282 PolarHBondContact N-OG 2.87Å; L275-S282 PolarHBondContact O-N 3.39Å; L275-Y286 HydrophobicContact CD1-CD2 4.21Å; L275-Y286 HydrophobicContact CG-CD2 4.18Å; L275-L288 HydrophobicContact CD2-CD1 3.46Å; L275-L288 VanDerWaalsContact CD2-CD1 3.46Å; L275-L288 HydrophobicContact CD2-CD2 4.38Å; L275-L288 HydrophobicContact CD2-CG 4.09Å; L275-V310 HydrophobicContact CD1-CG1 4.38Å; L275-V310 HydrophobicContact CD1-CG2 4.34Å; L275-F312 HydrophobicContact CB-CE1 3.77Å; L275-F312 HydrophobicContact CB-CZ 3.98Å; L275-V324 HydrophobicContact CD1-CG1 3.99Å; L275-V324 HydrophobicContact CD1-CG2 4.44Å
276V85.2Confident86.3Confident84 Ų8468.4 Ų68.451%0.50936%0.364SS..EExtended strand (participates in β ladder)trans-124.2131.2-179.1-174.80000109.5C280 F281V276-C280 WeakPolarHBondContact CA-O 3.46Å; V276-F281 HydrophobicContact CG1-CE1 4.43Å; V276-F281 HydrophobicContact CG2-CD1 3.65Å; V276-F281 HydrophobicContact CG2-CE1 3.61Å
277H82.9Confident86.7Confident33 Ų3371.8 Ų71.815%0.15338%0.375CS..EExtended strand (participates in β ladder)trans-144.2117.7176.4179.963.4000109.7L239 G279 C280 F312L239-H277 HydrophobicContact CD1-CB 4.16Å; H277-G279 VanDerWaalsContact C-N 3.26Å; H277-G279 PolarHBondContact O-N 2.88Å; H277-C280 PolarHBondContact N-O 3.3Å; H277-C280 WeakPolarHBondContact O-CB 3.48Å; H277-C280 PolarHBondContact O-N 2.91Å; H277-F312 HydrophobicContact CB-CD1 4.21Å; H277-F312 HydrophobicContact CB-CE1 3.91Å; H277-F312 HydrophobicContact CB-CZ 4.28Å
278H83.6Confident87.1Confident168 Ų16868.4 Ų68.478%0.77836%0.363SS*.THydrogen-bonded Turntrans44.446.2-176.1-60.8-76.4000114.1C280H278-C280 PolarHBondContact O-N 2.81Å
279G82Confident87.2Confident39 Ų3965.3 Ų65.340%0.40235%0.352SS..THydrogen-bonded Turntrans77.3-0.8179.800000115.5H277H277-G279 VanDerWaalsContact C-N 3.26Å; H277-G279 PolarHBondContact O-N 2.88Å
280C84.3Confident87.5Confident9 Ų965.4 Ų65.46%0.06135%0.351CS..EExtended strand (participates in β ladder)trans-94.3144.8172.6-48.30000110.9V276 H277 H278 F312 C314V276-C280 WeakPolarHBondContact CA-O 3.46Å; H277-C280 PolarHBondContact N-O 3.3Å; H277-C280 WeakPolarHBondContact O-CB 3.48Å; H277-C280 PolarHBondContact O-N 2.91Å; H278-C280 PolarHBondContact O-N 2.81Å; C280-F312 HydrophobicContact CB-CB 3.96Å; C280-C314 HydrophobicContact CB-CB 3.98Å; C280-C314 WeakPolarHBondContact CB-SG 3.26Å; C280-C314 VanDerWaalsContact SG-CA 3.59Å; C280-C314 WeakPolarHBondContact SG-CB 3.24Å; C280-C314 CovalentContact SG-SG 2.04Å; C280-C314 PolarHBondContact SG-SG 2.79Å
281F87.8Confident87.9Confident101 Ų10158.5 Ų58.544%0.44331%0.307SS..EExtended strand (participates in β ladder)trans-111.7140.3-176.4-62.9-91.7000111.2L275 V276 F312 R313L275-F281 CarbonylContact O-C 3.52Å; L275-F281 WeakPolarHBondContact O-CA 3.3Å; V276-F281 HydrophobicContact CG1-CE1 4.43Å; V276-F281 HydrophobicContact CG2-CD1 3.65Å; V276-F281 HydrophobicContact CG2-CE1 3.61Å; F281-F312 CarbonylContact O-C 3.53Å; F281-F312 WeakPolarHBondContact O-CA 3.33Å; F281-R313 PolarHBondContact N-O 3.16Å; F281-R313 PolarHBondContact O-N 2.78Å
282S89.8Confident88Confident0 Ų058 Ų580%030%0.301CS..EExtended strand (participates in β ladder)trans-59.9141.5174.962.30000111.3R274 L275 Q284 T311R274-S282 WeakPolarHBondContact CA-OG 3.44Å; R274-S282 PolarHBondContact NH1-O 2.83Å; L275-S282 PolarHBondContact N-OG 2.87Å; L275-S282 PolarHBondContact O-N 3.39Å; S282-Q284 VanDerWaalsContact C-N 3.3Å; S282-Q284 WeakPolarHBondContact CB-O 3.46Å; S282-Q284 PolarHBondContact O-N 2.9Å; S282-Q284 PolarHBondContact OG-O 3.28Å; S282-T311 WeakPolarHBondContact CA-O 3.03Å
283T90.1Very high87.5Confident48 Ų4859 Ų5929%0.29430%0.298SS..SBendtrans-65.6-37.4178.552.90000111.4R274 T311 R313 L319R274-T283 PolarHBondContact NH1-O 3.19Å; R274-T283 VanDerWaalsContact NH1-O 3.11Å; T283-T311 HydrophobicContact CG2-CG2 4.14Å; T283-T311 PolarHBondContact N-O 3.04Å; T283-T311 PolarHBondContact OG1-O 3.05Å; T283-R313 HydrophobicContact CG2-CB 4.27Å; T283-L319 HydrophobicContact CG2-CD2 4.4Å
284Q90.7Very high87.2Confident120 Ų12057.2 Ų57.256%0.56129%0.29SS*.SBendtrans-103.6155.3175.6-64.8177.3-50.100111.5S282 Y286S282-Q284 VanDerWaalsContact C-N 3.3Å; S282-Q284 WeakPolarHBondContact CB-O 3.46Å; S282-Q284 PolarHBondContact O-N 2.9Å; S282-Q284 PolarHBondContact OG-O 3.28Å; Q284-Y286 HydrophobicContact CB-CE2 3.89Å; Q284-Y286 WeakPolarHBondContact O-CD2 3.24Å; Q284-Y286 WeakPolarHBondContact O-CE2 3.36Å; Q284-Y286 PolarHBondContact OE1-OH 3.33Å
285A92Very high86.5Confident53 Ų5356.3 Ų56.344%0.43831%0.305SS..  trans-93.1142.7170.100000110.1P272 I273 R274P272-A285 HydrophobicContact CB-CB 3.71Å; I273-A285 CarbonylContact O-C 3.56Å; I273-A285 WeakPolarHBondContact O-CA 3.23Å; R274-A285 HydrophobicContact CG-CB 4.41Å
286Y90.3Very high85.8Confident45 Ų4558.7 Ų58.718%0.17632%0.318CS..BIsolated β-bridgetrans-123.7135.4-175.7-66-95.5000110I273 L275 Q284 L288 V310 M326I273-Y286 WeakPolarHBondContact CG1-O 3.17Å; I273-Y286 PolarHBondContact N-O 2.81Å; I273-Y286 PolarHBondContact O-N 2.91Å; L275-Y286 HydrophobicContact CD1-CD2 4.21Å; L275-Y286 HydrophobicContact CG-CD2 4.18Å; Q284-Y286 HydrophobicContact CB-CE2 3.89Å; Q284-Y286 WeakPolarHBondContact O-CD2 3.24Å; Q284-Y286 WeakPolarHBondContact O-CE2 3.36Å; Q284-Y286 PolarHBondContact OE1-OH 3.33Å; Y286-L288 PolarHBondContact O-N 2.88Å; Y286-V310 HydrophobicContact CE1-CG2 4.4Å; Y286-V310 HydrophobicContact CE2-CG1 3.87Å; Y286-V310 HydrophobicContact CE2-CG2 4.3Å; Y286-M326 HydrophobicContact CD1-CE 3.81Å; Y286-M326 HydrophobicContact CE1-CE 4.03Å; Y286-M326 HydrophobicContact CG-CE 4.42Å
287Q89.8Confident85.3Confident107 Ų10760.5 Ų60.550%0.534%0.335SS..  trans-87.296.2169.7-167.3179.321.800109.2
288L91Very high85.1Confident16 Ų1663.4 Ų63.48%0.08434%0.344CS..  trans-81.4149.9-176.1-65.6-171.2000112.1R268 S269 I273 L275 Y286 Y290 M326R268-L288 CarbonylContact C-O 3.55Å; R268-L288 VanDerWaalsContact CA-O 3.26Å; R268-L288 WeakPolarHBondContact CA-O 3.32Å; S269-L288 PolarHBondContact N-O 2.97Å; S269-L288 PolarHBondContact OG-N 3.19Å; I273-L288 HydrophobicContact CD1-CD1 4.28Å; L275-L288 HydrophobicContact CD2-CD1 3.46Å; L275-L288 VanDerWaalsContact CD2-CD1 3.46Å; L275-L288 HydrophobicContact CD2-CD2 4.38Å; L275-L288 HydrophobicContact CD2-CG 4.09Å; Y286-L288 PolarHBondContact O-N 2.88Å; L288-Y290 HydrophobicContact CB-CE1 4.18Å; L288-Y290 HydrophobicContact CB-CE2 4.33Å; L288-Y290 HydrophobicContact CD1-CE1 4.08Å; L288-M326 HydrophobicContact CD2-SD 3.72Å
289R90.6Very high85Confident65 Ų6556.4 Ų56.425%0.24531%0.314CS..EExtended strand (participates in β ladder)trans-101.9141.8164.6-176.4178.8-72.1-1128.1109.3S266 Y267 I327 H328S266-R289 PolarHBondContact OG-NH1 2.88Å; Y267-R289 CarbonylContact O-C 3.48Å; Y267-R289 WeakPolarHBondContact O-CA 3.35Å; R289-I327 HydrophobicContact CB-CB 4.44Å; R289-I327 WeakPolarHBondContact CB-O 3.5Å; R289-H328 VanDerWaalsContact CD-O 3.24Å; R289-H328 WeakPolarHBondContact CD-O 3.35Å; R289-H328 PolarHBondContact NE-O 2.77Å
290Y91.1Very high85.1Confident6 Ų654.6 Ų54.62%0.02430%0.296CS..EExtended strand (participates in β ladder)trans-123.3153.1178.5-62.3-57.3000110.9K241 V242 P244 S266 Y267 I273 L288K241-Y290 HydrophobicContact CD-CE1 4.09Å; K241-Y290 HydrophobicContact CG-CE1 3.89Å; V242-Y290 WeakPolarHBondContact O-CA 3.33Å; V242-Y290 WeakPolarHBondContact O-CB 3.46Å; P244-Y290 HydrophobicContact CG-CD2 4.2Å; P244-Y290 HydrophobicContact CG-CE1 4.45Å; P244-Y290 HydrophobicContact CG-CE2 3.84Å; S266-Y290 CarbonylContact C-O 3.58Å; S266-Y290 VanDerWaalsContact CA-O 3.23Å; S266-Y290 WeakPolarHBondContact CA-O 3.33Å; Y267-Y290 HydrophobicContact CD2-CD2 4.35Å; Y267-Y290 AromaticContact CE2-CD2 3.72Å; Y267-Y290 HydrophobicContact CE2-CD2 3.72Å; Y267-Y290 HydrophobicContact CE2-CG 4.38Å; Y267-Y290 AromaticContact CZ-CD2 3.96Å; Y267-Y290 PolarHBondContact N-O 3.46Å; Y267-Y290 PolarHBondContact O-N 2.91Å; I273-Y290 VanDerWaalsContact CD1-OH 3.32Å; I273-Y290 WeakPolarHBondContact CD1-OH 2.85Å; L288-Y290 HydrophobicContact CB-CE1 4.18Å; L288-Y290 HydrophobicContact CB-CE2 4.33Å; L288-Y290 HydrophobicContact CD1-CE1 4.08Å
291C88.6Confident85.2Confident0 Ų054.9 Ų54.90%030%0.297CS..EExtended strand (participates in β ladder)trans-95.6126.5173.5-55.10000110.1V242 C330V242-C291 HydrophobicContact CG1-CB 3.89Å; V242-C291 PolarHBondContact O-N 3.4Å; C291-C330 WeakPolarHBondContact CA-SG 3.32Å; C291-C330 HydrophobicContact CB-CB 3.77Å; C291-C330 WeakPolarHBondContact CB-SG 3.1Å; C291-C330 WeakPolarHBondContact SG-CB 3.47Å; C291-C330 CovalentContact SG-SG 2.04Å; C291-C330 PolarHBondContact SG-SG 3.13Å
292G84.9Confident85.3Confident11 Ų1151.6 Ų51.611%0.11329%0.286CS..  trans-91.6-134.6178.400000112.5R243 A265R243-G292 PolarHBondContact NH1-O 2.67Å; A265-G292 WeakPolarHBondContact O-CA 2.93Å; A265-G292 PolarHBondContact O-N 3.35Å
293Q80Confident85.1Confident116 Ų11658 Ų5854%0.54232%0.315SS..  trans-120.8144.1-175.5-62.1-179.413.900111A265A265-Q293 WeakPolarHBondContact CB-O 3.4Å
294C81.4Confident85.1Confident17 Ų1761.5 Ų61.512%0.11533%0.328CS..  trans-75.5154.4171.7-51.80000109D296 R298 C299 C300 C332C294-D296 WeakPolarHBondContact CB-OD1 3.38Å; C294-D296 PolarHBondContact O-N 2.82Å; C294-R298 HydrophobicContact CB-CB 4.15Å; C294-R298 WeakPolarHBondContact CB-O 3.4Å; C294-C299 VanDerWaalsContact SG-C 3.57Å; C294-C300 VanDerWaalsContact SG-CB 3.52Å; C294-C300 PolarHBondContact SG-N 2.82Å; C294-C332 HydrophobicContact CB-CB 4Å; C294-C332 WeakPolarHBondContact CB-SG 3.32Å; C294-C332 VanDerWaalsContact SG-CA 3.58Å; C294-C332 WeakPolarHBondContact SG-CB 3.41Å; C294-C332 CovalentContact SG-SG 2.02Å; C294-C332 PolarHBondContact SG-SG 2.02Å
295S72.8Confident85.1Confident125 Ų12557.8 Ų57.887%0.87431%0.314SS*.SBendtrans-73.7-6.7177.750.80000113.5
296D73.9Confident85.1Confident69 Ų6957.6 Ų57.637%0.36931%0.309SS..SBendtrans-119.7-174.3179.954.82.8000110.8C294 R298C294-D296 WeakPolarHBondContact CB-OD1 3.38Å; C294-D296 PolarHBondContact O-N 2.82Å; D296-R298 PolarHBondContact O-N 2.78Å; D296-R298 WeakPolarHBondContact OD1-CB 3.29Å; D296-R298 IonicContact OD1-NE 3.76Å; D296-R298 PolarHBondContact OD1-NE 3.41Å; D296-R298 IonicContact OD1-NH2 3.89Å; D296-R298 IonicContact OD2-CZ 3.8Å; D296-R298 IonicContact OD2-NE 2.76Å; D296-R298 PolarHBondContact OD2-NE 3.45Å; D296-R298 IonicContact OD2-NH2 3.9Å; D296-R298 PolarHBondContact OD2-NH2 2.86Å
297S73.5Confident85.2Confident123 Ų12358.1 Ų58.186%0.8632%0.317SS*.SBendtrans-71.814.5-179.557.40000114.9
298R79.6Confident85.2Confident93 Ų9354.4 Ų54.435%0.35131%0.305SS..PPolyproline II helixtrans-89.6152.8178.5-71.8-173.5-66.3164.1-9.5112C294 D296 C332 H333 N334C294-R298 HydrophobicContact CB-CB 4.15Å; C294-R298 WeakPolarHBondContact CB-O 3.4Å; D296-R298 PolarHBondContact O-N 2.78Å; D296-R298 WeakPolarHBondContact OD1-CB 3.29Å; D296-R298 IonicContact OD1-NE 3.76Å; D296-R298 PolarHBondContact OD1-NE 3.41Å; D296-R298 IonicContact OD1-NH2 3.89Å; D296-R298 IonicContact OD2-CZ 3.8Å; D296-R298 IonicContact OD2-NE 2.76Å; D296-R298 PolarHBondContact OD2-NE 3.45Å; D296-R298 IonicContact OD2-NH2 3.9Å; D296-R298 PolarHBondContact OD2-NH2 2.86Å; R298-C332 HydrophobicContact CB-CB 4.27Å; R298-C332 PolarHBondContact NH1-O 3.24Å; R298-H333 WeakPolarHBondContact CB-O 3.36Å; R298-N334 WeakPolarHBondContact CD-OD1 3.47Å; R298-N334 WeakPolarHBondContact CG-OD1 3.4Å
299C80.3Confident85.2Confident21 Ų2159.1 Ų59.114%0.14233%0.326CS..EExtended strand (participates in β ladder)trans-87.5141.2167.645.60000110.8C294 C332 H333 C336C294-C299 VanDerWaalsContact SG-C 3.57Å; C299-C332 WeakPolarHBondContact O-CA 3.36Å; C299-H333 PolarHBondContact N-O 3.05Å; C299-H333 PolarHBondContact O-N 3.25Å; C299-H333 PolarHBondContact SG-O 2.98Å; C299-C336 HydrophobicContact CB-CB 3.84Å; C299-C336 WeakPolarHBondContact CB-SG 3.45Å; C299-C336 PolarHBondContact N-SG 3.32Å; C299-C336 VanDerWaalsContact N-SG 3.45Å; C299-C336 WeakPolarHBondContact SG-CA 2.97Å; C299-C336 WeakPolarHBondContact SG-CB 3.04Å; C299-C336 CovalentContact SG-SG 2.04Å; C299-C336 PolarHBondContact SG-SG 3.29Å
300C85.2Confident85.1Confident2 Ų256 Ų561%0.01432%0.315CS..EExtended strand (participates in β ladder)trans-96.5119.7169-169.80000109.1C263 C294 C330 V331C263-C300 HydrophobicContact CB-CB 4.45Å; C263-C300 WeakPolarHBondContact CB-SG 3.23Å; C263-C300 WeakPolarHBondContact SG-CB 3.48Å; C263-C300 CovalentContact SG-SG 2.06Å; C263-C300 PolarHBondContact SG-SG 2.95Å; C294-C300 VanDerWaalsContact SG-CB 3.52Å; C294-C300 PolarHBondContact SG-N 2.82Å; C300-C330 WeakPolarHBondContact SG-CB 3.47Å; C300-V331 WeakPolarHBondContact CA-O 3.07Å
301T86.3Confident84.9Confident15 Ų1557.9 Ų57.99%0.09233%0.327CS..EExtended strand (participates in β ladder)trans-123.7162179.668.80000111.2H303 C330 V331 H333 P337T301-H303 PolarHBondContact O-N 3.07Å; T301-C330 CarbonylContact O-C 3.53Å; T301-C330 WeakPolarHBondContact O-CA 3.44Å; T301-C330 WeakPolarHBondContact O-CB 3.49Å; T301-V331 PolarHBondContact N-O 3.03Å; T301-V331 PolarHBondContact O-N 3.18Å; T301-H333 VanDerWaalsContact CG2-NE2 3.25Å; T301-H333 WeakPolarHBondContact CG2-NE2 3.45Å; T301-H333 PolarHBondContact OG1-CD2 2.89Å; T301-H333 PolarHBondContact OG1-NE2 2.82Å; T301-P337 HydrophobicContact CG2-CG 4.1Å
302P89.9Confident84.9Confident32 Ų3258 Ų5821%0.20833%0.328CS..EExtended strand (participates in β ladder)trans-63.2131.2175.1-19.332.4000111.4V242 T305 M325 I327V242-P302 HydrophobicContact CG1-CG 4.43Å; V242-P302 HydrophobicContact CG2-CG 4.17Å; P302-T305 HydrophobicContact CB-CG2 3.58Å; P302-M325 HydrophobicContact CG-CE 4.07Å; P302-I327 HydrophobicContact CB-CD1 4.37Å; P302-I327 HydrophobicContact CB-CG1 4.28Å; P302-I327 HydrophobicContact CB-CG2 4.36Å; P302-I327 HydrophobicContact CG-CD1 3.97Å; P302-I327 HydrophobicContact CG-CG1 4.37Å
303H85.9Confident84.9Confident133 Ų13365 Ų6562%0.61635%0.351SS*.  trans-105.2-69.6177.6-178.7-105.5000110.5T301 S329 V331T301-H303 PolarHBondContact O-N 3.07Å; H303-S329 PolarHBondContact N-O 2.77Å; H303-V331 HydrophobicContact CB-CB 4.03Å; H303-V331 HydrophobicContact CB-CG1 3.8Å
304Q89.3Confident85.1Confident123 Ų12360.1 Ų60.158%0.57533%0.329SS*.SBendtrans-92.4120.5174.5-163176.324.600109.5H328 S329Q304-H328 HydrophobicContact CB-CB 4.23Å; Q304-H328 HydrophobicContact CG-CB 4.34Å; Q304-H328 WeakPolarHBondContact O-CB 3.45Å; Q304-H328 PolarHBondContact O-N 3.43Å; Q304-S329 WeakPolarHBondContact CB-OG 3.44Å; Q304-S329 PolarHBondContact N-OG 2.96Å; Q304-S329 PolarHBondContact O-N 3.34Å
305T91.3Very high85.3Confident41 Ų4164.8 Ų64.825%0.25236%0.359SS..EExtended strand (participates in β ladder)trans-135.1149.8179.466.40000110.6R238 P302 M325 M326 I327R238-T305 PolarHBondContact NH2-OG1 2.78Å; P302-T305 HydrophobicContact CB-CG2 3.58Å; T305-M325 HydrophobicContact CG2-CG 4.04Å; T305-M325 HydrophobicContact CG2-SD 3.93Å; T305-M326 CarbonylContact C-O 3.54Å; T305-M326 VanDerWaalsContact CA-O 3.23Å; T305-M326 WeakPolarHBondContact CA-O 3.34Å; T305-I327 HydrophobicContact CG2-CG1 4.47Å
306S92.3Very high85.8Confident49 Ų4964.8 Ų64.834%0.34335%0.354SS..EExtended strand (participates in β ladder)trans-119.3167.1166.265.20000110.5R238 M325 M326 H328R238-S306 PolarHBondContact NH1-O 3.31Å; S306-M325 WeakPolarHBondContact O-CA 3.43Å; S306-M326 PolarHBondContact N-O 2.63Å; S306-M326 PolarHBondContact O-N 2.04Å; S306-H328 WeakPolarHBondContact CB-NE2 3.05Å; S306-H328 PolarHBondContact OG-NE2 3.49Å
307T91.3Very high86.1Confident57 Ų5764 Ų6435%0.3536%0.362SS..EExtended strand (participates in β ladder)trans-111.4124.7175.3-580000108.6R238 A323 V324R238-T307 HydrophobicContact CB-CG2 4.34Å; R238-T307 VanDerWaalsContact CD-OG1 3.29Å; R238-T307 WeakPolarHBondContact CD-OG1 3.41Å; R238-T307 PolarHBondContact NH1-OG1 2.96Å; T307-A323 HydrophobicContact CG2-CB 3.68Å; T307-V324 WeakPolarHBondContact CA-O 3.34Å
308A90Very high86.5Confident29 Ų2966.3 Ų66.324%0.2435%0.352CS..EExtended strand (participates in β ladder)trans-110.5138.517400000110.1V310 V324 M326A308-V310 HydrophobicContact CB-CG2 4.46Å; A308-V310 PolarHBondContact O-N 2.74Å; A308-V324 PolarHBondContact N-O 3.44Å; A308-V324 PolarHBondContact O-N 2.85Å; A308-M326 HydrophobicContact CB-CE 3.58Å; A308-M326 HydrophobicContact CB-CG 3.81Å
309Q90.2Very high86.6Confident114 Ų11466.7 Ų66.753%0.53336%0.361SS..EExtended strand (participates in β ladder)trans-83.9108.6172.4-66.9-63.4-1500109.4Q321Q309-Q321 HydrophobicContact CB-CG 4.21Å
310V88.8Confident86.7Confident0 Ų067.7 Ų67.70%036%0.364CS..EExtended strand (participates in β ladder)trans-104.9129.9-176.2-179.90000110.1L275 Y286 A308 F312 Q321 K322 V324 M326L275-V310 HydrophobicContact CD1-CG1 4.38Å; L275-V310 HydrophobicContact CD1-CG2 4.34Å; Y286-V310 HydrophobicContact CE1-CG2 4.4Å; Y286-V310 HydrophobicContact CE2-CG1 3.87Å; Y286-V310 HydrophobicContact CE2-CG2 4.3Å; A308-V310 HydrophobicContact CB-CG2 4.46Å; A308-V310 PolarHBondContact O-N 2.74Å; V310-F312 HydrophobicContact CB-CD2 4.45Å; V310-F312 HydrophobicContact CB-CE2 3.75Å; V310-F312 HydrophobicContact CB-CZ 4.31Å; V310-F312 HydrophobicContact CG1-CD2 4.11Å; V310-F312 HydrophobicContact CG1-CE2 3.59Å; V310-F312 HydrophobicContact CG1-CZ 3.88Å; V310-F312 WeakPolarHBondContact O-CD2 3.39Å; V310-Q321 WeakPolarHBondContact O-CA 3.48Å; V310-K322 PolarHBondContact N-O 2.85Å; V310-K322 PolarHBondContact O-N 2.9Å; V310-V324 HydrophobicContact CB-CG2 3.84Å; V310-V324 HydrophobicContact CG2-CB 3.91Å; V310-V324 HydrophobicContact CG2-CG2 3.66Å; V310-M326 HydrophobicContact CG2-CE 4.02Å
311T88.5Confident86.6Confident46 Ų4673.8 Ų73.828%0.28239%0.393SS..EExtended strand (participates in β ladder)trans-89.4127.4173.6-52.30000110.5S282 T283 L319 L320S282-T311 WeakPolarHBondContact CA-O 3.03Å; T283-T311 HydrophobicContact CG2-CG2 4.14Å; T283-T311 PolarHBondContact N-O 3.04Å; T283-T311 PolarHBondContact OG1-O 3.05Å; T311-L319 HydrophobicContact CG2-CB 4.23Å; T311-L319 HydrophobicContact CG2-CD2 4.31Å; T311-L320 CarbonylContact C-O 3.44Å; T311-L320 WeakPolarHBondContact CA-O 3.36Å
312F88.2Confident86.6Confident3 Ų377.3 Ų77.31%0.01341%0.407CS..EExtended strand (participates in β ladder)trans-109.7139.4177-66-100.4000109.9L275 H277 C280 F281 V310 L319 L320 K322 V324L275-F312 HydrophobicContact CB-CE1 3.77Å; L275-F312 HydrophobicContact CB-CZ 3.98Å; H277-F312 HydrophobicContact CB-CD1 4.21Å; H277-F312 HydrophobicContact CB-CE1 3.91Å; H277-F312 HydrophobicContact CB-CZ 4.28Å; C280-F312 HydrophobicContact CB-CB 3.96Å; F281-F312 CarbonylContact O-C 3.53Å; F281-F312 WeakPolarHBondContact O-CA 3.33Å; V310-F312 HydrophobicContact CB-CD2 4.45Å; V310-F312 HydrophobicContact CB-CE2 3.75Å; V310-F312 HydrophobicContact CB-CZ 4.31Å; V310-F312 HydrophobicContact CG1-CD2 4.11Å; V310-F312 HydrophobicContact CG1-CE2 3.59Å; V310-F312 HydrophobicContact CG1-CZ 3.88Å; V310-F312 WeakPolarHBondContact O-CD2 3.39Å; F312-L319 CarbonylContact O-C 3.55Å; F312-L319 VanDerWaalsContact O-CA 3.29Å; F312-L319 WeakPolarHBondContact O-CA 3.35Å; F312-L320 HydrophobicContact CB-CB 4.41Å; F312-L320 PolarHBondContact N-O 3.42Å; F312-L320 PolarHBondContact O-N 2.74Å; F312-K322 HydrophobicContact CD2-CB 4.33Å; F312-K322 HydrophobicContact CD2-CG 4.48Å; F312-K322 HydrophobicContact CE2-CB 4Å; F312-V324 HydrophobicContact CE2-CG2 4.28Å; F312-V324 HydrophobicContact CZ-CG2 4.3Å
313R84.8Confident86.5Confident157 Ų15776.6 Ų76.659%0.59240%0.403SS*.EExtended strand (participates in β ladder)trans-105.3122.6170.8-178.7179-74177.8-4.3108.6F281 T283 L319F281-R313 PolarHBondContact N-O 3.16Å; F281-R313 PolarHBondContact O-N 2.78Å; T283-R313 HydrophobicContact CG2-CB 4.27Å; R313-L319 HydrophobicContact CB-CD2 3.91Å; R313-L319 HydrophobicContact CG-CD2 4.19Å
314C84.2Confident86.7Confident13 Ų1370.9 Ų70.99%0.08838%0.378CS..  trans-89.7161177-57.50000111.1C280 T316 G317 R318 L320C280-C314 HydrophobicContact CB-CB 3.98Å; C280-C314 WeakPolarHBondContact CB-SG 3.26Å; C280-C314 VanDerWaalsContact SG-CA 3.59Å; C280-C314 WeakPolarHBondContact SG-CB 3.24Å; C280-C314 CovalentContact SG-SG 2.04Å; C280-C314 PolarHBondContact SG-SG 2.79Å; C314-T316 PolarHBondContact O-N 3.12Å; C314-T316 VanDerWaalsContact O-N 3.13Å; C314-G317 PolarHBondContact O-N 2.85Å; C314-R318 PolarHBondContact N-O 2.73Å; C314-L320 VanDerWaalsContact SG-CD1 3.5Å
315P84.3Confident86.9Confident116 Ų11665.7 Ų65.775%0.75335%0.354SS*.THydrogen-bonded Turntrans-56-28.7176-26.135.1000113.7G317P315-G317 PolarHBondContact O-N 2.69Å
316T84.4Confident87Confident124 Ų12465 Ų6576%0.76135%0.348SS*.THydrogen-bonded Turntrans-74.1-0.717658.40000114.3C314 R318C314-T316 PolarHBondContact O-N 3.12Å; C314-T316 VanDerWaalsContact O-N 3.13Å; T316-R318 VanDerWaalsContact C-N 3.26Å; T316-R318 PolarHBondContact O-N 3.16Å
317G79.9Confident87Confident53 Ų5363.2 Ų63.255%0.54633%0.334SS..SBendtrans82.9-10.7-175.900000114.9C314 P315C314-G317 PolarHBondContact O-N 2.85Å; P315-G317 PolarHBondContact O-N 2.69Å
318R82.8Confident87Confident171 Ų17164.9 Ų64.965%0.64534%0.338SS*.  trans-64138.3176.6-175.9176.5176.8-178.6-0.1111.6C314 T316 L320C314-R318 PolarHBondContact N-O 2.73Å; T316-R318 VanDerWaalsContact C-N 3.26Å; T316-R318 PolarHBondContact O-N 3.16Å; R318-L320 HydrophobicContact CG-CD2 4.35Å
319L80.4Confident86.8Confident101 Ų10165.1 Ų65.153%0.52934%0.338SS..EExtended strand (participates in β ladder)trans-96.4134.5170.2-60.8179.1000110.6T283 T311 F312 R313T283-L319 HydrophobicContact CG2-CD2 4.4Å; T311-L319 HydrophobicContact CG2-CB 4.23Å; T311-L319 HydrophobicContact CG2-CD2 4.31Å; F312-L319 CarbonylContact O-C 3.55Å; F312-L319 VanDerWaalsContact O-CA 3.29Å; F312-L319 WeakPolarHBondContact O-CA 3.35Å; R313-L319 HydrophobicContact CB-CD2 3.91Å; R313-L319 HydrophobicContact CG-CD2 4.19Å
320L81.9Confident86.8Confident42 Ų4260.4 Ų60.422%0.2232%0.318CS..EExtended strand (participates in β ladder)trans-124.7132.1177.1-64.4175.4000109.5T311 F312 C314 R318T311-L320 CarbonylContact C-O 3.44Å; T311-L320 WeakPolarHBondContact CA-O 3.36Å; F312-L320 HydrophobicContact CB-CB 4.41Å; F312-L320 PolarHBondContact N-O 3.42Å; F312-L320 PolarHBondContact O-N 2.74Å; C314-L320 VanDerWaalsContact SG-CD1 3.5Å; R318-L320 HydrophobicContact CG-CD2 4.35Å
321Q85.1Confident86.7Confident130 Ų13062.7 Ų62.761%0.60733%0.332SS*.EExtended strand (participates in β ladder)trans-101.3129.8172.3-160.6175.42400109.4Q309 V310Q309-Q321 HydrophobicContact CB-CG 4.21Å; V310-Q321 WeakPolarHBondContact O-CA 3.48Å
322K85.1Confident86.5Confident89 Ų8961.3 Ų61.339%0.38732%0.324SS..EExtended strand (participates in β ladder)trans-136.1140178.3-66.6-66.3-175.4-178.10110.5L239 V310 F312L239-K322 HydrophobicContact CD1-CB 4.02Å; L239-K322 HydrophobicContact CD1-CG 4.39Å; V310-K322 PolarHBondContact N-O 2.85Å; V310-K322 PolarHBondContact O-N 2.9Å; F312-K322 HydrophobicContact CD2-CB 4.33Å; F312-K322 HydrophobicContact CD2-CG 4.48Å; F312-K322 HydrophobicContact CE2-CB 4Å
323A86.9Confident86.1Confident17 Ų1763.9 Ų63.914%0.1434%0.335CS..EExtended strand (participates in β ladder)trans-70.1128.2169.700000110R238 L239 T307R238-A323 CarbonylContact C-O 3.54Å; R238-A323 WeakPolarHBondContact CA-O 3.07Å; R238-A323 HydrophobicContact CB-CB 3.73Å; L239-A323 PolarHBondContact N-O 2.8Å; T307-A323 HydrophobicContact CG2-CB 3.68Å
324V90.8Very high85.7Confident13 Ų1362.6 Ų62.68%0.07934%0.34CS..EExtended strand (participates in β ladder)trans-128.6134-179.2-175.40000110.2L239 L275 T307 A308 V310 F312 M326L239-V324 HydrophobicContact CB-CG2 4.29Å; L239-V324 HydrophobicContact CD1-CG2 4.34Å; L239-V324 CarbonylContact O-C 3.51Å; L239-V324 WeakPolarHBondContact O-CA 3.4Å; L275-V324 HydrophobicContact CD1-CG1 3.99Å; L275-V324 HydrophobicContact CD1-CG2 4.44Å; T307-V324 WeakPolarHBondContact CA-O 3.34Å; A308-V324 PolarHBondContact N-O 3.44Å; A308-V324 PolarHBondContact O-N 2.85Å; V310-V324 HydrophobicContact CB-CG2 3.84Å; V310-V324 HydrophobicContact CG2-CB 3.91Å; V310-V324 HydrophobicContact CG2-CG2 3.66Å; F312-V324 HydrophobicContact CE2-CG2 4.28Å; F312-V324 HydrophobicContact CZ-CG2 4.3Å; V324-M326 HydrophobicContact CB-CE 4.4Å; V324-M326 HydrophobicContact CG1-CE 4.32Å
325M93.8Very high85.3Confident14 Ų1468.4 Ų68.47%0.06937%0.371CS..EExtended strand (participates in β ladder)trans-71.6126.8175.3-176.7177.67800111.3R238 L239 C240 P302 T305 S306 I327R238-M325 PolarHBondContact NH2-SD 3.01Å; R238-M325 VanDerWaalsContact NH2-SD 3.4Å; L239-M325 WeakPolarHBondContact O-CB 3.36Å; L239-M325 PolarHBondContact O-N 2.93Å; C240-M325 HydrophobicContact CB-CB 4.1Å; C240-M325 HydrophobicContact CB-CE 3.52Å; C240-M325 HydrophobicContact CB-SD 3.96Å; P302-M325 HydrophobicContact CG-CE 4.07Å; T305-M325 HydrophobicContact CG2-CG 4.04Å; T305-M325 HydrophobicContact CG2-SD 3.93Å; S306-M325 WeakPolarHBondContact O-CA 3.43Å; M325-I327 HydrophobicContact CE-CD1 3.9Å; M325-I327 HydrophobicContact CE-CG1 3.81Å
326M93.4Very high84.8Confident26 Ų2664.6 Ų64.613%0.12835%0.346CS..EExtended strand (participates in β ladder)trans-108.1120.3171.6-58.9-60.117700109.1Y286 L288 T305 S306 A308 V310 V324Y286-M326 HydrophobicContact CD1-CE 3.81Å; Y286-M326 HydrophobicContact CE1-CE 4.03Å; Y286-M326 HydrophobicContact CG-CE 4.42Å; L288-M326 HydrophobicContact CD2-SD 3.72Å; T305-M326 CarbonylContact C-O 3.54Å; T305-M326 VanDerWaalsContact CA-O 3.23Å; T305-M326 WeakPolarHBondContact CA-O 3.34Å; S306-M326 PolarHBondContact N-O 2.63Å; S306-M326 PolarHBondContact O-N 2.04Å; A308-M326 HydrophobicContact CB-CE 3.58Å; A308-M326 HydrophobicContact CB-CG 3.81Å; V310-M326 HydrophobicContact CG2-CE 4.02Å; V324-M326 HydrophobicContact CB-CE 4.4Å; V324-M326 HydrophobicContact CG1-CE 4.32Å
327I92.6Very high84.1Confident12 Ų1261.7 Ų61.76%0.06233%0.33CS..EExtended strand (participates in β ladder)trans-87.9126.7-177.5-57.2174.4000109.6R289 P302 T305 M325R289-I327 HydrophobicContact CB-CB 4.44Å; R289-I327 WeakPolarHBondContact CB-O 3.5Å; P302-I327 HydrophobicContact CB-CD1 4.37Å; P302-I327 HydrophobicContact CB-CG1 4.28Å; P302-I327 HydrophobicContact CB-CG2 4.36Å; P302-I327 HydrophobicContact CG-CD1 3.97Å; P302-I327 HydrophobicContact CG-CG1 4.37Å; T305-I327 HydrophobicContact CG2-CG1 4.47Å; M325-I327 HydrophobicContact CE-CD1 3.9Å; M325-I327 HydrophobicContact CE-CG1 3.81Å
328H90.4Very high83.6Confident92 Ų9262.1 Ų62.143%0.42632%0.315SS..  trans-101.2-40.7174.7-62-62.5000111.8R289 Q304 S306R289-H328 VanDerWaalsContact CD-O 3.24Å; R289-H328 WeakPolarHBondContact CD-O 3.35Å; R289-H328 PolarHBondContact NE-O 2.77Å; Q304-H328 HydrophobicContact CB-CB 4.23Å; Q304-H328 HydrophobicContact CG-CB 4.34Å; Q304-H328 WeakPolarHBondContact O-CB 3.45Å; Q304-H328 PolarHBondContact O-N 3.43Å; S306-H328 WeakPolarHBondContact CB-NE2 3.05Å; S306-H328 PolarHBondContact OG-NE2 3.49Å
329S87.4Confident82.4Confident35 Ų3556.6 Ų56.625%0.24531%0.306CS..  trans-145158178.264.80000112.3H303 Q304H303-S329 PolarHBondContact N-O 2.77Å; Q304-S329 WeakPolarHBondContact CB-OG 3.44Å; Q304-S329 PolarHBondContact N-OG 2.96Å; Q304-S329 PolarHBondContact O-N 3.34Å
330C88.7Confident80.8Confident15 Ų1556.8 Ų56.810%0.10131%0.314CS..EExtended strand (participates in β ladder)trans-128149.5176.6-49.20000109.8C263 C291 C300 T301C263-C330 HydrophobicContact CB-CB 4.39Å; C263-C330 WeakPolarHBondContact CB-O 3.37Å; C291-C330 WeakPolarHBondContact CA-SG 3.32Å; C291-C330 HydrophobicContact CB-CB 3.77Å; C291-C330 WeakPolarHBondContact CB-SG 3.1Å; C291-C330 WeakPolarHBondContact SG-CB 3.47Å; C291-C330 CovalentContact SG-SG 2.04Å; C291-C330 PolarHBondContact SG-SG 3.13Å; C300-C330 WeakPolarHBondContact SG-CB 3.47Å; T301-C330 CarbonylContact O-C 3.53Å; T301-C330 WeakPolarHBondContact O-CA 3.44Å; T301-C330 WeakPolarHBondContact O-CB 3.49Å
331V86.7Confident78.8Confident48 Ų4866.2 Ų66.229%0.29135%0.348SS..EExtended strand (participates in β ladder)trans-130.7147.1-178.770.30000111.2C300 T301 H303C300-V331 WeakPolarHBondContact CA-O 3.07Å; T301-V331 PolarHBondContact N-O 3.03Å; T301-V331 PolarHBondContact O-N 3.18Å; H303-V331 HydrophobicContact CB-CB 4.03Å; H303-V331 HydrophobicContact CB-CG1 3.8Å
332C84.7Confident76.5Confident17 Ų1765 Ų6512%0.11535%0.349CS..EExtended strand (participates in β ladder)trans-94.2122.9176.6-70.30000110.7C294 R298 C299C294-C332 HydrophobicContact CB-CB 4Å; C294-C332 WeakPolarHBondContact CB-SG 3.32Å; C294-C332 VanDerWaalsContact SG-CA 3.58Å; C294-C332 WeakPolarHBondContact SG-CB 3.41Å; C294-C332 CovalentContact SG-SG 2.02Å; C294-C332 PolarHBondContact SG-SG 2.02Å; R298-C332 HydrophobicContact CB-CB 4.27Å; R298-C332 PolarHBondContact NH1-O 3.24Å; C299-C332 WeakPolarHBondContact O-CA 3.36Å
333H79.1Confident74Confident56 Ų5665.2 Ų65.226%0.25936%0.355SS..EExtended strand (participates in β ladder)trans-143165.617760.696.3000111.9R298 C299 T301 N335R298-H333 WeakPolarHBondContact CB-O 3.36Å; C299-H333 PolarHBondContact N-O 3.05Å; C299-H333 PolarHBondContact O-N 3.25Å; C299-H333 PolarHBondContact SG-O 2.98Å; T301-H333 VanDerWaalsContact CG2-NE2 3.25Å; T301-H333 WeakPolarHBondContact CG2-NE2 3.45Å; T301-H333 PolarHBondContact OG1-CD2 2.89Å; T301-H333 PolarHBondContact OG1-NE2 2.82Å; H333-N335 PolarHBondContact CE1-O 2.75Å; H333-N335 PolarHBondContact ND1-N 2.96Å; H333-N335 PolarHBondContact ND1-O 2.87Å
334N76.8Confident71.9Confident130 Ų13068.7 Ų68.770%0.69538%0.376SS*.SBendtrans-82.4-25.1-179.5-66-30.8000112.9R298 C336R298-N334 WeakPolarHBondContact CD-OD1 3.47Å; R298-N334 WeakPolarHBondContact CG-OD1 3.4Å; N334-C336 PolarHBondContact O-N 2.87Å; N334-C336 PolarHBondContact O-SG 3.21Å
335N75.6Confident69.5Low135 Ų13571.8 Ų71.872%0.72240%0.403SS*.  trans-78.781.1-176.3-175.212.9000111.8H333 P337H333-N335 PolarHBondContact CE1-O 2.75Å; H333-N335 PolarHBondContact ND1-N 2.96Å; H333-N335 PolarHBondContact ND1-O 2.87Å; N335-P337 VanDerWaalsContact O-CD 3.31Å; N335-P337 WeakPolarHBondContact O-CD 3.49Å
336C74.6Confident66.8Low36 Ų3676.8 Ų76.824%0.24343%0.429CS..  trans-84.7113.5-169.5-62.20000113.2C299 N334 Y338 A339C299-C336 HydrophobicContact CB-CB 3.84Å; C299-C336 WeakPolarHBondContact CB-SG 3.45Å; C299-C336 PolarHBondContact N-SG 3.32Å; C299-C336 VanDerWaalsContact N-SG 3.45Å; C299-C336 WeakPolarHBondContact SG-CA 2.97Å; C299-C336 WeakPolarHBondContact SG-CB 3.04Å; C299-C336 CovalentContact SG-SG 2.04Å; C299-C336 PolarHBondContact SG-SG 3.29Å; N334-C336 PolarHBondContact O-N 2.87Å; N334-C336 PolarHBondContact O-SG 3.21Å; C336-Y338 PolarHBondContact O-N 3Å; C336-A339 HydrophobicContact CB-CB 4.01Å; C336-A339 WeakPolarHBondContact O-CB 3.38Å; C336-A339 PolarHBondContact O-N 2.92Å; C336-A339 VanDerWaalsContact O-N 3.09Å
337P69.7Low64.2Low64 Ų6485.7 Ų85.742%0.41646%0.462SS..THydrogen-bonded Turntrans-69.7-10.2-17528.8-34.9000113.5A211 T301 N335A211-P337 HydrophobicContact CB-CB 3.61Å; A211-P337 HydrophobicContact CB-CG 3.87Å; T301-P337 HydrophobicContact CG2-CG 4.1Å; N335-P337 VanDerWaalsContact O-CD 3.31Å; N335-P337 WeakPolarHBondContact O-CD 3.49Å
338Y69.3Low61.3Low62 Ų6289.2 Ų89.224%0.24349%0.493CS..THydrogen-bonded Turntrans-112.95.4179.6-45.8-73.9000112.8C212 C336C212-Y338 WeakPolarHBondContact CB-OH 3.48Å; C212-Y338 PolarHBondContact N-OH 3.26Å; C212-Y338 WeakPolarHBondContact O-CE1 3.3Å; C212-Y338 PolarHBondContact O-OH 3.07Å; C336-Y338 PolarHBondContact O-N 3Å
339A57.3Low59Low55 Ų5592.8 Ų92.846%0.45551%0.509SS..  trans-64131.7175.900000108.2C336 Y341C336-A339 HydrophobicContact CB-CB 4.01Å; C336-A339 WeakPolarHBondContact O-CB 3.38Å; C336-A339 PolarHBondContact O-N 2.92Å; C336-A339 VanDerWaalsContact O-N 3.09Å; A339-Y341 PolarHBondContact O-N 3.36Å
340P47Very low56.2Low105 Ų105101.9 Ų101.968%0.68254%0.538SS*.  trans-55.7136.9163.124.6-29.9000106.9T342P340-T342 PolarHBondContact O-N 2.93Å
341Y39.5Very low53.7Low240 Ų240110.8 Ų110.894%0.94160%0.596SS**  trans-56.491.8172.5-80-90.6000108.4A339 N343A339-Y341 PolarHBondContact O-N 3.36Å; Y341-N343 PolarHBondContact O-N 3.26Å
342T37.8Very low52.1Low103 Ų103114 Ų11463%0.63261%0.611SS**  trans-78.588165.741.50000105.2P340 P344P340-T342 PolarHBondContact O-N 2.93Å; T342-P344 WeakPolarHBondContact O-CD 3.29Å; T342-P344 VanDerWaalsContact O-N 3.15Å
343N32.7Very low50.4Low95 Ų95119.1 Ų119.151%0.50864%0.637SS.*  trans-58.4113.7165.5-173.9-5.2000107.4Y341 A345 L346Y341-N343 PolarHBondContact O-N 3.26Å; N343-A345 PolarHBondContact O-N 2.95Å; N343-A345 VanDerWaalsContact O-N 3.1Å; N343-A345 WeakPolarHBondContact OD1-CB 3.49Å; N343-A345 PolarHBondContact OD1-N 3.11Å; N343-L346 PolarHBondContact O-N 2.78Å
344P41.9Very low48.8Very low89 Ų89122.6 Ų122.658%0.57866%0.658SS**G310 helixtrans-65.4-12.1-178.124.7-30.3000112.7T342 L346T342-P344 WeakPolarHBondContact O-CD 3.29Å; T342-P344 VanDerWaalsContact O-N 3.15Å; P344-L346 PolarHBondContact O-N 2.83Å
345A40.6Very low47.1Very low79 Ų79122.1 Ų122.165%0.65366%0.656SS**G310 helixtrans-70-9.3175.300000114.8N343N343-A345 PolarHBondContact O-N 2.95Å; N343-A345 VanDerWaalsContact O-N 3.1Å; N343-A345 WeakPolarHBondContact OD1-CB 3.49Å; N343-A345 PolarHBondContact OD1-N 3.11Å
346L36.3Very low45.3Very low118 Ų118121.3 Ų121.362%0.61865%0.652SS**G310 helixtrans-106.812.2-178.2-69171.5000114.1N343 P344 A348N343-L346 PolarHBondContact O-N 2.78Å; P344-L346 PolarHBondContact O-N 2.83Å; L346-A348 VanDerWaalsContact C-N 3.27Å; L346-A348 PolarHBondContact O-N 2.94Å
347W40.5Very low43.4Very low214 Ų214127 Ų12781%0.81168%0.679SS**THydrogen-bonded Turntrans-70.4-19.3177.7-75.2-0.9000114.3
348A31.4Very low41.5Very low86 Ų86131.5 Ų131.571%0.71170%0.698SS**THydrogen-bonded Turntrans-86.4-6.5-177.100000114.8L346L346-A348 VanDerWaalsContact C-N 3.27Å; L346-A348 PolarHBondContact O-N 2.94Å
349H40.8Very low39.4Very low167 Ų167136.8 Ų136.877%0.77373%0.733SS**  trans-129.375.7178.5-67-34.5000110.6
350R29.6Very low37.9Very low225 Ų225143.7 Ų143.785%0.84976%0.756SS**  trans-128.2141.1148-81.6-171.5-177.1173.80.8108.5
351P36.5Very low37Very low203 Ų203147.2 Ų147.2100%1.31876%0.763SS**  trans-63.10-171.526.9-35.3000113.6

Retrieved 351 of 351 residues in 50.8 ms (Link to these results)