A0A077ZBP1_TRITR Loading...

WD repeat-containing protein 76

Specifically binds 5-hydroxymethylcytosine (5hmC), suggesting that it acts as a specific reader of 5hmC.

AlphaFold DB , UniProt , Accession A0A077ZBP1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 293 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
1L63.6Low78.6Confident50 Ų5077.5 Ų77.526%0.26241%0.412SS..  0-66.60-85.9133000114G3 Q4 I5 F8 F273L1-G3 VanDerWaalsContact C-N 3.35Å; L1-G3 PolarHBondContact O-N 2.6Å; L1-G3 VanDerWaalsContact O-N 3.14Å; L1-Q4 WeakPolarHBondContact O-CA 3.22Å; L1-Q4 PolarHBondContact O-N 3.37Å; L1-I5 HydrophobicContact CB-CD1 4.14Å; L1-I5 HydrophobicContact CD2-CD1 3.72Å; L1-I5 HydrophobicContact CD2-CG1 3.99Å; L1-I5 WeakPolarHBondContact O-CG1 3.21Å; L1-I5 PolarHBondContact O-N 2.94Å; L1-F8 HydrophobicContact CD2-CE2 4.31Å; L1-F8 HydrophobicContact CD2-CZ 3.9Å; L1-F273 HydrophobicContact CD2-CD1 4.47Å
2R62.8Low79.7Confident112 Ų11275.9 Ų75.942%0.42340%0.404SS..THydrogen-bonded Turntrans-47.4-47.7-174.5-169171.2177.5-172.7-4115.1L231 E249R2-L231 HydrophobicContact CB-CD1 4.22Å; R2-L231 HydrophobicContact CG-CD1 4.21Å; R2-E249 IonicContact NH2-OE1 3.33Å; R2-E249 PolarHBondContact NH2-OE1 3.04Å
3G68.4Low80.7Confident70 Ų7076.5 Ų76.572%0.72240%0.397SS*.THydrogen-bonded Turntrans-82.5-8.6176.600000116L1L1-G3 VanDerWaalsContact C-N 3.35Å; L1-G3 PolarHBondContact O-N 2.6Å; L1-G3 VanDerWaalsContact O-N 3.14Å
4Q74Confident81.6Confident99 Ų9971.9 Ų71.946%0.46337%0.374SS..THydrogen-bonded Turntrans-100.1-25.8-177.3-69.5172.3-24.200112.5L1 S6 A7 F8 S278L1-Q4 WeakPolarHBondContact O-CA 3.22Å; L1-Q4 PolarHBondContact O-N 3.37Å; Q4-S6 PolarHBondContact O-N 3.26Å; Q4-A7 WeakPolarHBondContact O-CA 3.15Å; Q4-A7 WeakPolarHBondContact O-CB 3.39Å; Q4-A7 PolarHBondContact O-N 3.35Å; Q4-F8 HydrophobicContact CB-CE1 4.08Å; Q4-F8 VanDerWaalsContact O-CD1 3.24Å; Q4-F8 WeakPolarHBondContact O-CD1 2.7Å; Q4-F8 PolarHBondContact O-N 3.39Å; Q4-S278 PolarHBondContact OE1-OG 2.78Å
5I77.1Confident82.6Confident0 Ų073.8 Ų73.80%038%0.378CS..G310 helixtrans-65.4-28.7-173.3-74.2167.8000112.6L1 A7 F8 Y245 I259 F273 I280L1-I5 HydrophobicContact CB-CD1 4.14Å; L1-I5 HydrophobicContact CD2-CD1 3.72Å; L1-I5 HydrophobicContact CD2-CG1 3.99Å; L1-I5 WeakPolarHBondContact O-CG1 3.21Å; L1-I5 PolarHBondContact O-N 2.94Å; I5-A7 PolarHBondContact O-N 2.57Å; I5-F8 HydrophobicContact CG1-CD1 4.43Å; I5-F8 HydrophobicContact CG1-CD2 4.28Å; I5-F8 HydrophobicContact CG1-CE1 4.11Å; I5-F8 HydrophobicContact CG1-CE2 3.96Å; I5-F8 HydrophobicContact CG1-CG 4.49Å; I5-F8 HydrophobicContact CG1-CZ 3.83Å; I5-F8 WeakPolarHBondContact O-CB 3.35Å; I5-F8 PolarHBondContact O-N 2.79Å; I5-Y245 HydrophobicContact CD1-CD2 3.81Å; I5-Y245 HydrophobicContact CD1-CE1 4.26Å; I5-Y245 HydrophobicContact CD1-CE2 3.15Å; I5-Y245 WeakPolarHBondContact CD1-OH 3.29Å; I5-Y245 HydrophobicContact CG1-CE2 4.36Å; I5-Y245 HydrophobicContact CG2-CD1 3.79Å; I5-Y245 HydrophobicContact CG2-CD2 3.83Å; I5-Y245 HydrophobicContact CG2-CE1 4.02Å; I5-Y245 HydrophobicContact CG2-CE2 4.12Å; I5-Y245 HydrophobicContact CG2-CG 3.66Å; I5-I259 HydrophobicContact CB-CD1 4.46Å; I5-I259 HydrophobicContact CG2-CD1 3.95Å; I5-I259 HydrophobicContact CG2-CG2 4.31Å; I5-F273 HydrophobicContact CD1-CE1 4.4Å; I5-I280 HydrophobicContact CD1-CD1 4.41Å; I5-I280 HydrophobicContact CG1-CD1 4.49Å
6S77.5Confident83.5Confident88 Ų8869.4 Ų69.462%0.61536%0.356SS*.G310 helixtrans-61.1-22.2171.654.60000113.1Q4Q4-S6 PolarHBondContact O-N 3.26Å
7A84.8Confident84.2Confident69 Ų6965.5 Ų65.557%0.5734%0.336SS*.G310 helixtrans-94.7-5.9176.400000113.7Q4 I5 K9Q4-A7 WeakPolarHBondContact O-CA 3.15Å; Q4-A7 WeakPolarHBondContact O-CB 3.39Å; Q4-A7 PolarHBondContact O-N 3.35Å; I5-A7 PolarHBondContact O-N 2.57Å; A7-K9 PolarHBondContact O-N 2.85Å
8F87.8Confident84.7Confident15 Ų1566.9 Ų66.97%0.06635%0.348CS..  trans-64.9134.4-178.2-80.423.7000110.2L1 Q4 I5 L261 S278 I280 F292L1-F8 HydrophobicContact CD2-CE2 4.31Å; L1-F8 HydrophobicContact CD2-CZ 3.9Å; Q4-F8 HydrophobicContact CB-CE1 4.08Å; Q4-F8 VanDerWaalsContact O-CD1 3.24Å; Q4-F8 WeakPolarHBondContact O-CD1 2.7Å; Q4-F8 PolarHBondContact O-N 3.39Å; I5-F8 HydrophobicContact CG1-CD1 4.43Å; I5-F8 HydrophobicContact CG1-CD2 4.28Å; I5-F8 HydrophobicContact CG1-CE1 4.11Å; I5-F8 HydrophobicContact CG1-CE2 3.96Å; I5-F8 HydrophobicContact CG1-CG 4.49Å; I5-F8 HydrophobicContact CG1-CZ 3.83Å; I5-F8 WeakPolarHBondContact O-CB 3.35Å; I5-F8 PolarHBondContact O-N 2.79Å; F8-L261 HydrophobicContact CB-CD2 3.84Å; F8-S278 WeakPolarHBondContact CZ-O 3.22Å; F8-I280 HydrophobicContact CD2-CD1 3.91Å; F8-I280 HydrophobicContact CD2-CG1 4.28Å; F8-I280 HydrophobicContact CE2-CD1 3.89Å; F8-I280 HydrophobicContact CE2-CG1 3.96Å; F8-F292 HydrophobicContact CD2-CB 4.28Å
9K88Confident85.3Confident150 Ų15064.6 Ų64.665%0.65234%0.339SS*.  trans-122.6155.7174.6-64-175.4-178.4-177.70109.9A7 R11 F292 A293A7-K9 PolarHBondContact O-N 2.85Å; K9-R11 PolarHBondContact O-N 2.64Å; K9-F292 VanDerWaalsContact O-CA 3.3Å; K9-F292 WeakPolarHBondContact O-CA 3.05Å; K9-A293 PolarHBondContact N-O 3.19Å; K9-A293 VanDerWaalsContact N-O 3.13Å; K9-A293 PolarHBondContact O-N 3.36Å; K9-A293 VanDerWaalsContact O-N 3.16Å
10Y90Very high85.8Confident59 Ų5963.2 Ų63.223%0.23133%0.329CS..EExtended strand (participates in β ladder)trans-57.3128166.8176.5-97.5000108.7R13 D263 L264 F292Y10-R13 WeakPolarHBondContact OH-CG 3.18Å; Y10-R13 PolarHBondContact OH-N 2.79Å; Y10-D263 HydrophobicContact CG-CB 4.44Å; Y10-L264 HydrophobicContact CD2-CD2 4.2Å; Y10-L264 HydrophobicContact CE2-CD2 4.23Å; Y10-F292 HydrophobicContact CD2-CE1 4.05Å; Y10-F292 HydrophobicContact CD2-CZ 4.29Å; Y10-F292 HydrophobicContact CG-CE1 4.49Å
11R90.4Very high86.3Confident140 Ų14060.2 Ų60.253%0.52831%0.313SS..EExtended strand (participates in β ladder)trans-100.9-67.5178.6-64.6-61.1180151.40.8110.1K9 F291 A293K9-R11 PolarHBondContact O-N 2.64Å; R11-F291 PolarHBondContact N-O 3.1Å; R11-A293 HydrophobicContact CG-CB 3.89Å; R11-A293 VanDerWaalsContact CZ-O 3.32Å; R11-A293 PolarHBondContact NE-O 3.09Å; R11-A293 PolarHBondContact NH2-O 3.18Å
12D91.5Very high87.9Confident59 Ų5959.2 Ų59.232%0.31631%0.306SS..EExtended strand (participates in β ladder)trans-162.9-175.8-178.6-141.8-37.5000111.3I55 P56 F291D12-I55 HydrophobicContact CB-CB 4.44Å; D12-I55 HydrophobicContact CB-CG2 4.24Å; D12-P56 HydrophobicContact CB-CG 4.37Å; D12-P56 WeakPolarHBondContact OD2-CG 3.32Å; D12-F291 PolarHBondContact O-N 2.98Å
13R92.6Very high89.5Confident83 Ų8354 Ų5431%0.31329%0.287SS..EExtended strand (participates in β ladder)trans-141.1149.4171.968.1-178.3-174.7-178.6-2.1111.5Y10 Y288 I289Y10-R13 WeakPolarHBondContact OH-CG 3.18Å; Y10-R13 PolarHBondContact OH-N 2.79Å; R13-Y288 HydrophobicContact CB-CD1 4.34Å; R13-Y288 HydrophobicContact CG-CD1 3.85Å; R13-Y288 HydrophobicContact CG-CE1 4.44Å; R13-I289 CarbonylContact C-O 3.49Å; R13-I289 WeakPolarHBondContact CA-O 3.3Å; R13-I289 WeakPolarHBondContact CB-O 3.18Å
14T94.5Very high90.8Very high13 Ų1351.6 Ų51.68%0.0826%0.257CS..EExtended strand (participates in β ladder)trans-128.9140.3173.6-68.10000110.5V16 I47 I55 V60 Y288 I289T14-V16 HydrophobicContact CG2-CG1 4.46Å; T14-V16 PolarHBondContact O-N 3.48Å; T14-I47 HydrophobicContact CG2-CD1 3.56Å; T14-I55 WeakPolarHBondContact OG1-CG2 3.44Å; T14-I55 PolarHBondContact OG1-O 3.03Å; T14-V60 HydrophobicContact CG2-CG2 3.61Å; T14-Y288 VanDerWaalsContact O-CA 3.3Å; T14-Y288 WeakPolarHBondContact O-CA 3.34Å; T14-I289 PolarHBondContact N-O 3.1Å; T14-I289 PolarHBondContact O-N 3.08Å
15K95.3Very high91.9Very high100 Ų10047.3 Ų47.344%0.43524%0.239SC..EExtended strand (participates in β ladder)trans-79.2116.6174.4-161.3172.1-172.11770109.1T17 S286 Y288K15-T17 VanDerWaalsContact CE-O 3.25Å; K15-T17 WeakPolarHBondContact CE-O 2.97Å; K15-T17 WeakPolarHBondContact CG-O 2.89Å; K15-S286 WeakPolarHBondContact CE-O 3.34Å; K15-Y288 HydrophobicContact CB-CD1 3.84Å; K15-Y288 HydrophobicContact CB-CD2 4.46Å; K15-Y288 HydrophobicContact CB-CE1 3.6Å; K15-Y288 HydrophobicContact CB-CE2 4.25Å; K15-Y288 HydrophobicContact CB-CG 4.27Å; K15-Y288 HydrophobicContact CD-CD2 4.49Å; K15-Y288 HydrophobicContact CD-CE1 4.49Å; K15-Y288 HydrophobicContact CD-CE2 3.84Å; K15-Y288 HydrophobicContact CG-CD1 4.44Å; K15-Y288 HydrophobicContact CG-CD2 4.18Å; K15-Y288 HydrophobicContact CG-CE1 4.25Å; K15-Y288 HydrophobicContact CG-CE2 3.98Å; K15-Y288 HydrophobicContact CG-CG 4.41Å
16V96.9Very high92.7Very high3 Ų348.5 Ų48.52%0.01825%0.246CC..  trans-109.3-21.4-177.2-67.30000112.8T14 I21 A37 G45 I47 V60 G287 I289T14-V16 HydrophobicContact CG2-CG1 4.46Å; T14-V16 PolarHBondContact O-N 3.48Å; V16-I21 HydrophobicContact CG2-CD1 3.91Å; V16-A37 HydrophobicContact CG2-CB 3.83Å; V16-G45 VanDerWaalsContact O-CA 3.26Å; V16-G45 WeakPolarHBondContact O-CA 3.5Å; V16-I47 HydrophobicContact CG1-CB 3.77Å; V16-I47 HydrophobicContact CG1-CD1 4.36Å; V16-I47 HydrophobicContact CG1-CG2 3.85Å; V16-V60 HydrophobicContact CG1-CG2 4.46Å; V16-G287 WeakPolarHBondContact CG2-O 3.12Å; V16-G287 PolarHBondContact N-O 2.92Å; V16-I289 HydrophobicContact CB-CD1 4.39Å; V16-I289 HydrophobicContact CG1-CD1 4.03Å; V16-I289 HydrophobicContact CG1-CG1 4.44Å; V16-I289 HydrophobicContact CG2-CB 4.5Å; V16-I289 HydrophobicContact CG2-CD1 3.67Å; V16-I289 HydrophobicContact CG2-CG1 3.68Å
17T96.7Very high93.4Very high3 Ų345 Ų452%0.01822%0.22CC..SBendtrans-139.7169.3177.2121.60000110.4K15 S19 I21 A37 D39 G287K15-T17 VanDerWaalsContact CE-O 3.25Å; K15-T17 WeakPolarHBondContact CE-O 2.97Å; K15-T17 WeakPolarHBondContact CG-O 2.89Å; T17-S19 PolarHBondContact OG1-N 2.94Å; T17-S19 PolarHBondContact OG1-O 3.03Å; T17-I21 HydrophobicContact CG2-CD1 4.32Å; T17-I21 HydrophobicContact CG2-CG1 3.91Å; T17-A37 HydrophobicContact CG2-CB 4.1Å; T17-D39 VanDerWaalsContact CB-OD2 3.31Å; T17-D39 WeakPolarHBondContact CB-OD2 3.48Å; T17-D39 HydrophobicContact CG2-CB 4.02Å; T17-D39 WeakPolarHBondContact OG1-CB 3.45Å; T17-D39 VanDerWaalsContact OG1-CG 3.23Å; T17-D39 PolarHBondContact OG1-OD2 2.85Å; T17-G287 PolarHBondContact N-O 2.87Å; T17-G287 WeakPolarHBondContact O-CA 3.32Å
18T93.3Very high93.6Very high91 Ų9144.6 Ų44.656%0.55821%0.211SC*.SBendtrans-86.8-10.517955.80000114.1N43T18-N43 PolarHBondContact OG1-ND2 2.67Å
19S95.8Very high93.4Very high24 Ų2445.6 Ų45.617%0.16822%0.22CC..SBendtrans-141-176.9-172.5-153.60000113.4T17 I21 G287T17-S19 PolarHBondContact OG1-N 2.94Å; T17-S19 PolarHBondContact OG1-O 3.03Å; S19-I21 PolarHBondContact O-N 3.33Å; S19-G287 WeakPolarHBondContact O-CA 3.47Å; S19-G287 PolarHBondContact O-N 2.85Å
20R95.3Very high92.7Very high36 Ų3646.2 Ų46.214%0.13623%0.226CC..  trans-55.4128.1179.6171.6179.2-41.8154.91.1111Y22 D39 K40 W216 T218 S285R20-Y22 HydrophobicContact CB-CE2 4.35Å; R20-Y22 HydrophobicContact CG-CD2 4.13Å; R20-Y22 HydrophobicContact CG-CE2 3.92Å; R20-Y22 WeakPolarHBondContact O-CD2 3.17Å; R20-D39 CarbonylContact O-C 3.47Å; R20-D39 VanDerWaalsContact O-CA 3.22Å; R20-D39 WeakPolarHBondContact O-CA 3.37Å; R20-D39 WeakPolarHBondContact O-CB 3.25Å; R20-K40 HydrophobicContact CB-CB 4.33Å; R20-K40 PolarHBondContact O-N 3Å; R20-W216 PolarHBondContact NH1-O 2.85Å; R20-T218 VanDerWaalsContact CD-OG1 3.27Å; R20-T218 WeakPolarHBondContact CD-OG1 3.39Å; R20-S285 VanDerWaalsContact CA-O 3.29Å; R20-S285 WeakPolarHBondContact CA-O 3.5Å; R20-S285 WeakPolarHBondContact CB-O 3.42Å; R20-S285 PolarHBondContact N-O 3.18Å
21I96.7Very high91.7Very high0 Ų048.4 Ų48.40%024%0.241CC..EExtended strand (participates in β ladder)trans-74.6129.2173.5-61.7176.7000109.2V16 T17 S19 S23 I24 A37 T270 N284 Y288 I289V16-I21 HydrophobicContact CG2-CD1 3.91Å; T17-I21 HydrophobicContact CG2-CD1 4.32Å; T17-I21 HydrophobicContact CG2-CG1 3.91Å; S19-I21 PolarHBondContact O-N 3.33Å; I21-S23 WeakPolarHBondContact CG2-O 3.28Å; I21-I24 HydrophobicContact CG2-CD1 4.26Å; I21-I24 HydrophobicContact CG2-CG1 3.78Å; I21-A37 HydrophobicContact CD1-CB 4.08Å; I21-A37 HydrophobicContact CG1-CB 4.36Å; I21-A37 HydrophobicContact CG2-CB 4.14Å; I21-T270 HydrophobicContact CG2-CG2 3.74Å; I21-N284 PolarHBondContact N-O 3.15Å; I21-Y288 WeakPolarHBondContact CD1-O 2.9Å; I21-I289 HydrophobicContact CD1-CG1 3.92Å
22Y96.1Very high90.8Very high29 Ų2941.7 Ų41.711%0.11422%0.216CC..EExtended strand (participates in β ladder)trans-104.6-29.4175.3-89.2-108.5000112R20 G38 K40 P69 V70 Y88 T218 R221R20-Y22 HydrophobicContact CB-CE2 4.35Å; R20-Y22 HydrophobicContact CG-CD2 4.13Å; R20-Y22 HydrophobicContact CG-CE2 3.92Å; R20-Y22 WeakPolarHBondContact O-CD2 3.17Å; Y22-G38 PolarHBondContact N-O 3.35Å; Y22-K40 HydrophobicContact CD2-CB 4.19Å; Y22-K40 HydrophobicContact CE2-CB 3.72Å; Y22-K40 HydrophobicContact CE2-CG 3.91Å; Y22-P69 HydrophobicContact CD1-CB 4.18Å; Y22-P69 HydrophobicContact CD2-CB 4.32Å; Y22-P69 HydrophobicContact CE1-CB 4.09Å; Y22-P69 HydrophobicContact CE2-CB 4.24Å; Y22-P69 HydrophobicContact CG-CB 4.3Å; Y22-V70 VanDerWaalsContact CB-O 3.23Å; Y22-V70 WeakPolarHBondContact CB-O 3.35Å; Y22-Y88 HydrophobicContact CE1-CE2 4.39Å; Y22-T218 HydrophobicContact CD1-CG2 4.45Å; Y22-R221 PolarHBondContact O-NH1 3.24Å
23S96.9Very high90.3Very high4 Ų442.3 Ų42.33%0.02822%0.217CC..EExtended strand (participates in β ladder)trans-145.9148.3-176.952.90000111.4I21 A37 G38 V70 V73I21-S23 WeakPolarHBondContact CG2-O 3.28Å; S23-A37 CarbonylContact O-C 3.55Å; S23-A37 VanDerWaalsContact O-CA 3.27Å; S23-A37 WeakPolarHBondContact O-CA 2.89Å; S23-G38 PolarHBondContact N-O 3.21Å; S23-G38 PolarHBondContact O-N 3Å; S23-V70 PolarHBondContact OG-O 2.83Å; S23-V73 VanDerWaalsContact OG-CG2 3.25Å; S23-V73 WeakPolarHBondContact OG-CG2 3.36Å
24I96.5Very high90.2Very high18 Ų1840.1 Ų40.19%0.09221%0.21CC..EExtended strand (participates in β ladder)trans-131.9141.1173.7-69.3178.5000108.4I21 I35 A36 A37 T270 A272 V281 G283 I289I21-I24 HydrophobicContact CG2-CD1 4.26Å; I21-I24 HydrophobicContact CG2-CG1 3.78Å; I24-I35 HydrophobicContact CG2-CG2 3.7Å; I24-A36 CarbonylContact C-O 3.51Å; I24-A36 VanDerWaalsContact CA-O 3.3Å; I24-A36 WeakPolarHBondContact CA-O 3.18Å; I24-A37 HydrophobicContact CG1-CB 4.33Å; I24-T270 HydrophobicContact CD1-CG2 3.94Å; I24-T270 HydrophobicContact CG1-CG2 3.85Å; I24-A272 HydrophobicContact CG2-CB 3.86Å; I24-V281 HydrophobicContact CG2-CG2 4.06Å; I24-G283 VanDerWaalsContact CD1-N 3.33Å; I24-I289 HydrophobicContact CD1-CD1 4.44Å; I24-I289 HydrophobicContact CD1-CG1 4.11Å
25A95.5Very high90.2Very high9 Ų939.6 Ų39.67%0.07421%0.206CC..EExtended strand (participates in β ladder)trans-133.6136.6168.500000110.2I35 A36 V73 F75 L83A25-I35 CarbonylContact O-C 3.38Å; A25-I35 WeakPolarHBondContact O-CA 3.37Å; A25-A36 PolarHBondContact N-O 2.9Å; A25-A36 PolarHBondContact O-N 2.58Å; A25-V73 HydrophobicContact CB-CG1 3.95Å; A25-F75 HydrophobicContact CB-CD2 3.76Å; A25-F75 HydrophobicContact CB-CE2 3.91Å; A25-L83 HydrophobicContact CB-CD1 4.33Å
26V94.3Very high90.3Very high25 Ų2534.8 Ų34.815%0.15219%0.185CC..EExtended strand (participates in β ladder)trans-98.1135.9170.5-177.90000108.4I35 F75 A272 V281V26-I35 HydrophobicContact CG1-CG1 4.47Å; V26-I35 HydrophobicContact CG2-CD1 4.35Å; V26-I35 HydrophobicContact CG2-CG1 4.2Å; V26-F75 WeakPolarHBondContact O-CD2 3.44Å; V26-A272 HydrophobicContact CG2-CB 3.87Å; V26-V281 HydrophobicContact CG2-CG2 4.39Å
27H93.4Very high90.3Very high16 Ų1634.7 Ų34.77%0.07419%0.185CC..  trans-61.3139.7179.6-173.2-92.3000110.8S29 G32 F34 F75 S80H27-S29 VanDerWaalsContact C-N 3.26Å; H27-S29 VanDerWaalsContact ND1-CB 3.25Å; H27-S29 WeakPolarHBondContact ND1-CB 3.3Å; H27-S29 PolarHBondContact ND1-N 3.17Å; H27-S29 VanDerWaalsContact ND1-N 3.16Å; H27-S29 PolarHBondContact ND1-OG 3.14Å; H27-S29 PolarHBondContact O-N 3.36Å; H27-G32 WeakPolarHBondContact O-CA 3.39Å; H27-F34 HydrophobicContact CB-CB 4.11Å; H27-F34 WeakPolarHBondContact CB-O 3.32Å; H27-F34 PolarHBondContact N-O 3.29Å; H27-F75 HydrophobicContact CB-CD2 4.33Å; H27-F75 HydrophobicContact CB-CE1 4.37Å; H27-F75 HydrophobicContact CB-CE2 3.99Å; H27-F75 HydrophobicContact CB-CZ 4.01Å; H27-F75 AromaticContact CD2-CD1 3.66Å; H27-F75 AromaticContact CD2-CE1 3.53Å; H27-S80 PolarHBondContact NE2-O 2.83Å
28P88.7Confident90.4Very high59 Ų5934.5 Ų34.538%0.38318%0.184SC..  trans-78.1-5.6-172.230.3-36.6000114.2F75P28-F75 HydrophobicContact CG-CB 4.15Å
29S83.1Confident90.6Very high36 Ų3630.2 Ų30.225%0.25216%0.157SC..SBendtrans-57.1156.8176.960.50000112H27 N31 G32 Q33H27-S29 VanDerWaalsContact C-N 3.26Å; H27-S29 VanDerWaalsContact ND1-CB 3.25Å; H27-S29 WeakPolarHBondContact ND1-CB 3.3Å; H27-S29 PolarHBondContact ND1-N 3.17Å; H27-S29 VanDerWaalsContact ND1-N 3.16Å; H27-S29 PolarHBondContact ND1-OG 3.14Å; H27-S29 PolarHBondContact O-N 3.36Å; S29-N31 PolarHBondContact O-N 3.24Å; S29-G32 WeakPolarHBondContact O-CA 3.09Å; S29-G32 PolarHBondContact O-N 3.09Å; S29-G32 PolarHBondContact OG-N 3.26Å; S29-Q33 PolarHBondContact OG-N 2.85Å
30E72.3Confident90.7Very high164 Ų16433.3 Ų33.377%0.76617%0.168SC*.THydrogen-bonded Turntrans-58.6-20.4179.8-70.5-171.4163.600114T276E30-T276 WeakPolarHBondContact O-CB 3.38Å; E30-T276 WeakPolarHBondContact O-CG2 3.38Å; E30-T276 PolarHBondContact O-OG1 3.09Å
31N70.5Confident90.8Very high104 Ų10436 Ų3656%0.55618%0.182SC*.THydrogen-bonded Turntrans-104.41.5174.9-63-20.9000112.6S29 Q33 H274S29-N31 PolarHBondContact O-N 3.24Å; N31-Q33 PolarHBondContact O-N 3.03Å; N31-Q33 VanDerWaalsContact O-N 3.13Å; N31-H274 VanDerWaalsContact C-CE1 3.47Å; N31-H274 PolarHBondContact O-CE1 3.16Å; N31-H274 VanDerWaalsContact O-CE1 3.24Å; N31-H274 PolarHBondContact O-NE2 3Å
32G70Confident90.9Very high0 Ų036 Ų360%018%0.182CC..  trans4444.8-176.200000113.4H27 S29 F34 V49 H274H27-G32 WeakPolarHBondContact O-CA 3.39Å; S29-G32 WeakPolarHBondContact O-CA 3.09Å; S29-G32 PolarHBondContact O-N 3.09Å; S29-G32 PolarHBondContact OG-N 3.26Å; G32-F34 PolarHBondContact O-N 3.17Å; G32-V49 VanDerWaalsContact O-CG2 3.26Å; G32-V49 WeakPolarHBondContact O-CG2 3.25Å; G32-H274 WeakPolarHBondContact CA-CE1 3.38Å; G32-H274 VanDerWaalsContact CA-NE2 3.27Å; G32-H274 WeakPolarHBondContact CA-NE2 3.41Å; G32-H274 PolarHBondContact N-CE1 3.28Å; G32-H274 PolarHBondContact O-NE2 3.04Å; G32-H274 VanDerWaalsContact O-NE2 3.14Å
33Q83Confident91Very high72 Ų7235.3 Ų35.334%0.33618%0.18SC..  trans-54.9-28.2-161.1-160.81745.900114.6S29 N31 D48 V49 T50S29-Q33 PolarHBondContact OG-N 2.85Å; N31-Q33 PolarHBondContact O-N 3.03Å; N31-Q33 VanDerWaalsContact O-N 3.13Å; Q33-D48 CarbonylContact O-C 3.52Å; Q33-D48 WeakPolarHBondContact O-CA 3.25Å; Q33-V49 WeakPolarHBondContact O-CG2 3.08Å; Q33-V49 PolarHBondContact O-N 3.27Å; Q33-T50 WeakPolarHBondContact CG-OG1 3.31Å; Q33-T50 PolarHBondContact NE2-OG1 3.28Å; Q33-T50 VanDerWaalsContact NE2-OG1 3.15Å
34F89.4Confident91Very high37 Ų3735.1 Ų35.116%0.16218%0.179CC..EExtended strand (participates in β ladder)trans-124.8141-176.5-51.2-63.7000111.6H27 G32 I47 D48 W61 L97H27-F34 HydrophobicContact CB-CB 4.11Å; H27-F34 WeakPolarHBondContact CB-O 3.32Å; H27-F34 PolarHBondContact N-O 3.29Å; G32-F34 PolarHBondContact O-N 3.17Å; F34-I47 WeakPolarHBondContact CA-O 3.23Å; F34-D48 HydrophobicContact CD1-CB 4.18Å; F34-D48 HydrophobicContact CE1-CB 4.08Å; F34-W61 AromaticContact CD1-CH2 3.44Å; F34-W61 HydrophobicContact CD1-CH2 3.44Å; F34-W61 VanDerWaalsContact CD1-CH2 3.44Å; F34-W61 AromaticContact CD1-CZ2 3.87Å; F34-W61 HydrophobicContact CD1-CZ2 3.87Å; F34-W61 AromaticContact CE1-CH2 3.58Å; F34-W61 HydrophobicContact CE1-CH2 3.58Å; F34-W61 HydrophobicContact CE1-CZ2 4.18Å; F34-W61 HydrophobicContact CG-CH2 4.44Å; F34-W61 HydrophobicContact CG-CZ2 4.49Å; F34-L97 HydrophobicContact CD2-CD2 4.24Å
35I94.9Very high91.1Very high1 Ų134.3 Ų34.31%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-115.2127.1166.8-53.8-177000107.8I24 A25 V26 F46 I47 V49 V281 I289 F291I24-I35 HydrophobicContact CG2-CG2 3.7Å; A25-I35 CarbonylContact O-C 3.38Å; A25-I35 WeakPolarHBondContact O-CA 3.37Å; V26-I35 HydrophobicContact CG1-CG1 4.47Å; V26-I35 HydrophobicContact CG2-CD1 4.35Å; V26-I35 HydrophobicContact CG2-CG1 4.2Å; I35-F46 CarbonylContact O-C 3.59Å; I35-F46 VanDerWaalsContact O-CA 3.27Å; I35-F46 WeakPolarHBondContact O-CA 3.28Å; I35-I47 HydrophobicContact CB-CG2 3.79Å; I35-I47 PolarHBondContact N-O 2.74Å; I35-I47 PolarHBondContact O-N 3.38Å; I35-V49 HydrophobicContact CD1-CG1 3.92Å; I35-V49 HydrophobicContact CD1-CG2 4.11Å; I35-V49 HydrophobicContact CG1-CG1 4.12Å; I35-V49 HydrophobicContact CG1-CG2 3.89Å; I35-V281 HydrophobicContact CD1-CB 4.36Å; I35-V281 HydrophobicContact CD1-CG1 3.59Å; I35-V281 HydrophobicContact CD1-CG2 4.16Å; I35-I289 HydrophobicContact CB-CD1 4.47Å; I35-I289 HydrophobicContact CG2-CD1 3.7Å; I35-F291 HydrophobicContact CD1-CE1 3.8Å; I35-F291 HydrophobicContact CD1-CZ 4.32Å
36A97Very high91.1Very high0 Ų034 Ų340%017%0.171CC..EExtended strand (participates in β ladder)trans-102.1143.1174.300000110.2I24 A25 I44 G45 F46 V73 F75 L83I24-A36 CarbonylContact C-O 3.51Å; I24-A36 VanDerWaalsContact CA-O 3.3Å; I24-A36 WeakPolarHBondContact CA-O 3.18Å; A25-A36 PolarHBondContact N-O 2.9Å; A25-A36 PolarHBondContact O-N 2.58Å; A36-I44 HydrophobicContact CB-CG2 4.37Å; A36-G45 CarbonylContact C-O 3.57Å; A36-G45 VanDerWaalsContact CA-O 3.28Å; A36-G45 WeakPolarHBondContact CA-O 3.47Å; A36-F46 HydrophobicContact CB-CD1 3.89Å; A36-F46 HydrophobicContact CB-CE1 3.8Å; A36-F46 HydrophobicContact CB-CZ 4.42Å; A36-V73 HydrophobicContact CB-CG1 4.06Å; A36-F75 HydrophobicContact CB-CE2 4.14Å; A36-F75 HydrophobicContact CB-CZ 4.06Å; A36-L83 HydrophobicContact CB-CD1 4.19Å; A36-L83 HydrophobicContact CB-CD2 3.91Å
37A98Very high91.1Very high0 Ų032.8 Ų32.80%016%0.164CC..EExtended strand (participates in β ladder)trans-136.4122.2177.200000111.5V16 T17 I21 S23 I24 I44 G45 I289V16-A37 HydrophobicContact CG2-CB 3.83Å; T17-A37 HydrophobicContact CG2-CB 4.1Å; I21-A37 HydrophobicContact CD1-CB 4.08Å; I21-A37 HydrophobicContact CG1-CB 4.36Å; I21-A37 HydrophobicContact CG2-CB 4.14Å; S23-A37 CarbonylContact O-C 3.55Å; S23-A37 VanDerWaalsContact O-CA 3.27Å; S23-A37 WeakPolarHBondContact O-CA 2.89Å; I24-A37 HydrophobicContact CG1-CB 4.33Å; A37-I44 CarbonylContact O-C 3.4Å; A37-I44 WeakPolarHBondContact O-CA 3.46Å; A37-G45 PolarHBondContact N-O 2.94Å; A37-G45 PolarHBondContact O-N 2.86Å; A37-I289 HydrophobicContact CB-CD1 4Å
38G98.3Very high91Very high0 Ų033.5 Ų33.50%017%0.168CC..EExtended strand (participates in β ladder)trans-91.7136.5175.100000111.8Y22 S23 N43Y22-G38 PolarHBondContact N-O 3.35Å; S23-G38 PolarHBondContact N-O 3.21Å; S23-G38 PolarHBondContact O-N 3Å; G38-N43 CarbonylContact C-O 3.5Å; G38-N43 WeakPolarHBondContact CA-O 3.47Å
39D97.7Very high91.1Very high0 Ų030.8 Ų30.80%015%0.151CC..EExtended strand (participates in β ladder)trans-116.8173.5-174.284.512.9000115.6T17 R20 Q41 G42 N43 P69 V70T17-D39 VanDerWaalsContact CB-OD2 3.31Å; T17-D39 WeakPolarHBondContact CB-OD2 3.48Å; T17-D39 HydrophobicContact CG2-CB 4.02Å; T17-D39 WeakPolarHBondContact OG1-CB 3.45Å; T17-D39 VanDerWaalsContact OG1-CG 3.23Å; T17-D39 PolarHBondContact OG1-OD2 2.85Å; R20-D39 CarbonylContact O-C 3.47Å; R20-D39 VanDerWaalsContact O-CA 3.22Å; R20-D39 WeakPolarHBondContact O-CA 3.37Å; R20-D39 WeakPolarHBondContact O-CB 3.25Å; D39-Q41 PolarHBondContact O-N 3.37Å; D39-Q41 WeakPolarHBondContact OD1-CA 2.99Å; D39-Q41 PolarHBondContact OD1-N 3.02Å; D39-G42 PolarHBondContact O-N 2.77Å; D39-G42 PolarHBondContact OD1-N 3.41Å; D39-G42 VanDerWaalsContact OD1-N 3.15Å; D39-N43 PolarHBondContact N-O 2.69Å; D39-N43 PolarHBondContact OD1-N 2.67Å; D39-N43 PolarHBondContact OD1-ND2 2.95Å; D39-N43 WeakPolarHBondContact OD2-CB 3.46Å; D39-N43 PolarHBondContact OD2-ND2 2.71Å; D39-P69 WeakPolarHBondContact O-CA 2.99Å; D39-V70 PolarHBondContact O-N 3.27Å
40K97.1Very high91.2Very high90 Ų9032.9 Ų32.939%0.39116%0.162SC..THydrogen-bonded Turntrans-58.1-29.5179.9-168.6-175.2172.1-170.30114R20 Y22 P69R20-K40 HydrophobicContact CB-CB 4.33Å; R20-K40 PolarHBondContact O-N 3Å; Y22-K40 HydrophobicContact CD2-CB 4.19Å; Y22-K40 HydrophobicContact CE2-CB 3.72Å; Y22-K40 HydrophobicContact CE2-CG 3.91Å; K40-P69 HydrophobicContact CG-CG 4.1Å; K40-P69 WeakPolarHBondContact O-CA 3.27Å; K40-P69 VanDerWaalsContact O-CD 3.31Å; K40-P69 WeakPolarHBondContact O-CD 3.5Å; K40-P69 VanDerWaalsContact O-CG 3.27Å; K40-P69 WeakPolarHBondContact O-CG 3.24Å
41Q97.5Very high91.8Very high92 Ų9227.3 Ų27.343%0.4314%0.141SC..THydrogen-bonded Turntrans-96.56.4-172-62.6-64.9-10.600112.4D39 K64D39-Q41 PolarHBondContact O-N 3.37Å; D39-Q41 WeakPolarHBondContact OD1-CA 2.99Å; D39-Q41 PolarHBondContact OD1-N 3.02Å; Q41-K64 WeakPolarHBondContact O-CE 3.45Å
42G97.9Very high92.3Very high0 Ų024.6 Ų24.60%013%0.127CC..SBendtrans887.5-17900000114.4D39 P65 H66 S68D39-G42 PolarHBondContact O-N 2.77Å; D39-G42 PolarHBondContact OD1-N 3.41Å; D39-G42 VanDerWaalsContact OD1-N 3.15Å; G42-P65 WeakPolarHBondContact O-CD 3.28Å; G42-H66 WeakPolarHBondContact CA-O 3.41Å; G42-H66 PolarHBondContact O-N 2.94Å; G42-S68 WeakPolarHBondContact CA-O 3.35Å; G42-S68 PolarHBondContact N-O 2.72Å
43N98.3Very high93Very high15 Ų1533.8 Ų33.88%0.0817%0.166CC..  trans-83.8150176.5-44.8-70.5000111.7T18 G38 D39 Q62 F63 K64T18-N43 PolarHBondContact OG1-ND2 2.67Å; G38-N43 CarbonylContact C-O 3.5Å; G38-N43 WeakPolarHBondContact CA-O 3.47Å; D39-N43 PolarHBondContact N-O 2.69Å; D39-N43 PolarHBondContact OD1-N 2.67Å; D39-N43 PolarHBondContact OD1-ND2 2.95Å; D39-N43 WeakPolarHBondContact OD2-CB 3.46Å; D39-N43 PolarHBondContact OD2-ND2 2.71Å; N43-Q62 HydrophobicContact CB-CG 3.93Å; N43-Q62 PolarHBondContact ND2-NE2 2.82Å; N43-F63 CarbonylContact C-O 3.58Å; N43-F63 WeakPolarHBondContact CA-O 3.42Å; N43-F63 WeakPolarHBondContact CB-O 3.5Å; N43-K64 WeakPolarHBondContact OD1-CB 3.48Å; N43-K64 WeakPolarHBondContact OD1-CD 3.32Å; N43-K64 VanDerWaalsContact OD1-CG 3.25Å; N43-K64 WeakPolarHBondContact OD1-CG 3.36Å
44I98.3Very high93.2Very high0 Ų034.4 Ų34.40%017%0.172CC..EExtended strand (participates in β ladder)trans-119.9112.5166.8-57.3-176.3000107.7A36 A37 F46 Q62 F63 P65 V70 V73 L83 S85 F102A36-I44 HydrophobicContact CB-CG2 4.37Å; A37-I44 CarbonylContact O-C 3.4Å; A37-I44 WeakPolarHBondContact O-CA 3.46Å; I44-F46 HydrophobicContact CB-CE2 4.31Å; I44-F46 HydrophobicContact CG2-CD2 4.27Å; I44-F46 HydrophobicContact CG2-CE2 3.6Å; I44-F46 HydrophobicContact CG2-CZ 3.85Å; I44-Q62 WeakPolarHBondContact O-CA 3.39Å; I44-F63 PolarHBondContact N-O 3.16Å; I44-F63 PolarHBondContact O-N 2.97Å; I44-P65 HydrophobicContact CD1-CG 3.76Å; I44-P65 HydrophobicContact CG1-CG 3.87Å; I44-V70 HydrophobicContact CD1-CG1 4.12Å; I44-V70 HydrophobicContact CG1-CG1 4.21Å; I44-V70 HydrophobicContact CG1-CG2 4.21Å; I44-V73 HydrophobicContact CD1-CG2 4.14Å; I44-L83 HydrophobicContact CG2-CD2 4.13Å; I44-S85 VanDerWaalsContact CD1-CB 3.45Å; I44-S85 WeakPolarHBondContact CD1-OG 3.35Å; I44-F102 HydrophobicContact CB-CZ 4.41Å; I44-F102 HydrophobicContact CD1-CE1 3.87Å; I44-F102 HydrophobicContact CD1-CZ 3.91Å
45G97.5Very high93.2Very high0 Ų032.7 Ų32.70%017%0.165CC..EExtended strand (participates in β ladder)trans-90.9152.2172.400000111.3V16 A36 A37 W61V16-G45 VanDerWaalsContact O-CA 3.26Å; V16-G45 WeakPolarHBondContact O-CA 3.5Å; A36-G45 CarbonylContact C-O 3.57Å; A36-G45 VanDerWaalsContact CA-O 3.28Å; A36-G45 WeakPolarHBondContact CA-O 3.47Å; A37-G45 PolarHBondContact N-O 2.94Å; A37-G45 PolarHBondContact O-N 2.86Å; G45-W61 CarbonylContact C-O 3.47Å; G45-W61 WeakPolarHBondContact CA-O 3.42Å
46F96.1Very high92.8Very high2 Ų236.5 Ų36.51%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-133.5144.7176.6-64.9-101.3000109.2I35 A36 I44 V60 W61 F63 L83 F95I35-F46 CarbonylContact O-C 3.59Å; I35-F46 VanDerWaalsContact O-CA 3.27Å; I35-F46 WeakPolarHBondContact O-CA 3.28Å; A36-F46 HydrophobicContact CB-CD1 3.89Å; A36-F46 HydrophobicContact CB-CE1 3.8Å; A36-F46 HydrophobicContact CB-CZ 4.42Å; I44-F46 HydrophobicContact CB-CE2 4.31Å; I44-F46 HydrophobicContact CG2-CD2 4.27Å; I44-F46 HydrophobicContact CG2-CE2 3.6Å; I44-F46 HydrophobicContact CG2-CZ 3.85Å; F46-V60 VanDerWaalsContact O-CA 3.23Å; F46-V60 WeakPolarHBondContact O-CA 3.3Å; F46-V60 WeakPolarHBondContact O-CG1 3.49Å; F46-W61 HydrophobicContact CB-CD2 3.72Å; F46-W61 HydrophobicContact CB-CE3 4.44Å; F46-W61 HydrophobicContact CB-CG 4.03Å; F46-W61 HydrophobicContact CB-CH2 4.24Å; F46-W61 HydrophobicContact CB-CZ2 3.49Å; F46-W61 VanDerWaalsContact CB-CZ2 3.49Å; F46-W61 HydrophobicContact CD1-CZ2 4.32Å; F46-W61 AromaticContact CD1-NE1 3.88Å; F46-W61 AromaticContact CD2-CD1 3.53Å; F46-W61 AromaticContact CD2-NE1 3.36Å; F46-W61 AromaticContact CG-CD1 3.78Å; F46-W61 AromaticContact CG-CE2 3.71Å; F46-W61 HydrophobicContact CG-CZ2 4.1Å; F46-W61 AromaticContact CG-NE1 3.19Å; F46-W61 PolarHBondContact N-O 3.46Å; F46-W61 PolarHBondContact O-N 3.27Å; F46-F63 HydrophobicContact CD2-CD2 4.18Å; F46-F63 HydrophobicContact CD2-CE2 4.43Å; F46-F63 AromaticContact CE2-CD2 3.81Å; F46-F63 HydrophobicContact CE2-CD2 3.81Å; F46-F63 HydrophobicContact CE2-CE2 4.21Å; F46-L83 HydrophobicContact CE1-CD2 3.78Å; F46-L83 HydrophobicContact CZ-CD2 3.58Å; F46-F95 HydrophobicContact CE1-CD1 4.18Å; F46-F95 HydrophobicContact CE1-CE1 4.15Å; F46-F95 HydrophobicContact CE2-CE1 4.29Å; F46-F95 AromaticContact CZ-CD1 3.66Å; F46-F95 HydrophobicContact CZ-CD1 3.66Å; F46-F95 AromaticContact CZ-CE1 3.72Å; F46-F95 HydrophobicContact CZ-CE1 3.72Å; F46-F95 HydrophobicContact CZ-CG 4.4Å; F46-F95 HydrophobicContact CZ-CZ 4.49Å
47I95.1Very high92.5Very high0 Ų041 Ų410%022%0.221CC..EExtended strand (participates in β ladder)trans-130.7135.6171.1-177.2170.4000109.5T14 V16 F34 I35 V49 P59 V60 I289 F291T14-I47 HydrophobicContact CG2-CD1 3.56Å; V16-I47 HydrophobicContact CG1-CB 3.77Å; V16-I47 HydrophobicContact CG1-CD1 4.36Å; V16-I47 HydrophobicContact CG1-CG2 3.85Å; F34-I47 WeakPolarHBondContact CA-O 3.23Å; I35-I47 HydrophobicContact CB-CG2 3.79Å; I35-I47 PolarHBondContact N-O 2.74Å; I35-I47 PolarHBondContact O-N 3.38Å; I47-V49 HydrophobicContact CD1-CG1 4.42Å; I47-V49 HydrophobicContact CG1-CG1 4.13Å; I47-V49 HydrophobicContact CG2-CG1 3.99Å; I47-P59 WeakPolarHBondContact CA-O 3.33Å; I47-V60 HydrophobicContact CB-CG2 4.14Å; I47-V60 HydrophobicContact CD1-CG2 4.23Å; I47-V60 HydrophobicContact CG1-CG2 4Å; I47-I289 HydrophobicContact CG2-CD1 4.36Å; I47-F291 HydrophobicContact CD1-CE2 4.33Å; I47-F291 HydrophobicContact CD1-CZ 4.07Å; I47-F291 HydrophobicContact CG2-CZ 4.44Å
48D91.4Very high92.2Very high31 Ų3141.8 Ų41.817%0.16623%0.226CC..EExtended strand (participates in β ladder)trans-79.9123.3167.7-172.9-33.1000109.3Q33 F34 T50 S58 P59 W61Q33-D48 CarbonylContact O-C 3.52Å; Q33-D48 WeakPolarHBondContact O-CA 3.25Å; F34-D48 HydrophobicContact CD1-CB 4.18Å; F34-D48 HydrophobicContact CE1-CB 4.08Å; D48-T50 VanDerWaalsContact OD1-CB 3.24Å; D48-T50 WeakPolarHBondContact OD1-CB 3.19Å; D48-T50 PolarHBondContact OD1-N 2.91Å; D48-T50 PolarHBondContact OD1-OG1 3.44Å; D48-S58 WeakPolarHBondContact O-CB 3.39Å; D48-S58 PolarHBondContact O-OG 2.69Å; D48-P59 HydrophobicContact CB-CB 4.3Å; D48-P59 HydrophobicContact CB-CG 4.39Å; D48-P59 PolarHBondContact N-O 2.9Å; D48-W61 HydrophobicContact CB-CH2 4.24Å; D48-W61 HydrophobicContact CB-CZ3 4.13Å
49V89.7Confident92Very high2 Ų245.5 Ų45.51%0.01225%0.25CS..  trans-117.425.2-177.3-64.20000112.1G32 Q33 I35 I47 S51 F291G32-V49 VanDerWaalsContact O-CG2 3.26Å; G32-V49 WeakPolarHBondContact O-CG2 3.25Å; Q33-V49 WeakPolarHBondContact O-CG2 3.08Å; Q33-V49 PolarHBondContact O-N 3.27Å; I35-V49 HydrophobicContact CD1-CG1 3.92Å; I35-V49 HydrophobicContact CD1-CG2 4.11Å; I35-V49 HydrophobicContact CG1-CG1 4.12Å; I35-V49 HydrophobicContact CG1-CG2 3.89Å; I47-V49 HydrophobicContact CD1-CG1 4.42Å; I47-V49 HydrophobicContact CG1-CG1 4.13Å; I47-V49 HydrophobicContact CG2-CG1 3.99Å; V49-S51 PolarHBondContact O-N 2.72Å; V49-F291 HydrophobicContact CG1-CE1 3.66Å; V49-F291 HydrophobicContact CG1-CZ 3.84Å
50T84.7Confident91.8Very high81 Ų8148.4 Ų48.450%0.49727%0.268SS..SBendtrans-54.1-37.2176.7-52.60000111.8Q33 D48Q33-T50 WeakPolarHBondContact CG-OG1 3.31Å; Q33-T50 PolarHBondContact NE2-OG1 3.28Å; Q33-T50 VanDerWaalsContact NE2-OG1 3.15Å; D48-T50 VanDerWaalsContact OD1-CB 3.24Å; D48-T50 WeakPolarHBondContact OD1-CB 3.19Å; D48-T50 PolarHBondContact OD1-N 2.91Å; D48-T50 PolarHBondContact OD1-OG1 3.44Å
51S85.2Confident91.7Very high46 Ų4648 Ų4832%0.32226%0.264SS..  trans-118.2101.3172.1-176.40000111.2V49 K53 D54V49-S51 PolarHBondContact O-N 2.72Å; S51-K53 PolarHBondContact O-N 3.44Å; S51-D54 WeakPolarHBondContact CB-OD2 3.25Å; S51-D54 PolarHBondContact O-N 2.85Å; S51-D54 VanDerWaalsContact O-N 3.13Å; S51-D54 PolarHBondContact OG-OD2 3.38Å
52I81.2Confident91.7Very high48 Ų4847.1 Ų47.125%0.24626%0.26CS..G310 helixtrans-61.2-23.1174.1-64.7152.5000111.9D54 I55 L277 V279 A293I52-D54 VanDerWaalsContact C-N 3.25Å; I52-D54 PolarHBondContact O-N 3.45Å; I52-I55 HydrophobicContact CG2-CD1 3.91Å; I52-I55 WeakPolarHBondContact O-CD1 3.43Å; I52-I55 VanDerWaalsContact O-CG1 3.27Å; I52-I55 WeakPolarHBondContact O-CG1 3.42Å; I52-L277 HydrophobicContact CD1-CB 4.1Å; I52-L277 HydrophobicContact CD1-CD1 3.56Å; I52-L277 HydrophobicContact CD1-CG 4.29Å; I52-L277 HydrophobicContact CG1-CD1 4.29Å; I52-V279 HydrophobicContact CD1-CG2 3.27Å; I52-V279 HydrophobicContact CG1-CG2 3.97Å; I52-V279 HydrophobicContact CG2-CG2 4.44Å; I52-A293 HydrophobicContact CG2-CB 4.38Å
53K84.6Confident91.6Very high193 Ų19350 Ų5084%0.83927%0.273SS*.G310 helixtrans-71.3-24.3179-66.9-177.7-178.7177.20112.5S51S51-K53 PolarHBondContact O-N 3.44Å
54D86.6Confident91.6Very high85 Ų8555.6 Ų55.646%0.45530%0.296SS..G310 helixtrans-116.630.8-170.7-51.8-53.5000111.5S51 I52 S57 S58S51-D54 WeakPolarHBondContact CB-OD2 3.25Å; S51-D54 PolarHBondContact O-N 2.85Å; S51-D54 VanDerWaalsContact O-N 3.13Å; S51-D54 PolarHBondContact OG-OD2 3.38Å; I52-D54 VanDerWaalsContact C-N 3.25Å; I52-D54 PolarHBondContact O-N 3.45Å; D54-S57 CarbonylContact O-C 3.51Å; D54-S57 PolarHBondContact O-N 2.52Å; D54-S57 VanDerWaalsContact O-N 3.1Å; D54-S57 PolarHBondContact O-OG 2.81Å; D54-S58 PolarHBondContact O-N 3.09Å; D54-S58 PolarHBondContact O-OG 2.97Å
55I89.2Confident91.6Very high1 Ų156.2 Ų56.21%0.00530%0.3CS..G310 helixtrans-50.1-46.2-177.9-76.3161.4000113D12 T14 I52 S57 S58 F291D12-I55 HydrophobicContact CB-CB 4.44Å; D12-I55 HydrophobicContact CB-CG2 4.24Å; T14-I55 WeakPolarHBondContact OG1-CG2 3.44Å; T14-I55 PolarHBondContact OG1-O 3.03Å; I52-I55 HydrophobicContact CG2-CD1 3.91Å; I52-I55 WeakPolarHBondContact O-CD1 3.43Å; I52-I55 VanDerWaalsContact O-CG1 3.27Å; I52-I55 WeakPolarHBondContact O-CG1 3.42Å; I55-S57 VanDerWaalsContact C-N 3.26Å; I55-S57 PolarHBondContact O-N 2.83Å; I55-S58 WeakPolarHBondContact CA-OG 3.3Å; I55-S58 VanDerWaalsContact O-CB 3.26Å; I55-S58 WeakPolarHBondContact O-CB 3.31Å; I55-S58 PolarHBondContact O-N 3.37Å; I55-S58 VanDerWaalsContact O-N 3.15Å; I55-S58 PolarHBondContact O-OG 3.49Å; I55-F291 HydrophobicContact CD1-CB 3.57Å; I55-F291 HydrophobicContact CD1-CD1 3.71Å; I55-F291 HydrophobicContact CD1-CD2 3.74Å; I55-F291 HydrophobicContact CD1-CE1 4.32Å; I55-F291 HydrophobicContact CD1-CE2 4.34Å; I55-F291 HydrophobicContact CD1-CG 3.4Å; I55-F291 HydrophobicContact CG1-CD1 4.4Å; I55-F291 HydrophobicContact CG1-CD2 4.28Å; I55-F291 HydrophobicContact CG1-CE2 4.42Å; I55-F291 HydrophobicContact CG1-CG 4.28Å; I55-F291 HydrophobicContact CG2-CD2 3.66Å; I55-F291 HydrophobicContact CG2-CE2 3.6Å; I55-F291 HydrophobicContact CG2-CG 4.44Å; I55-F291 HydrophobicContact CG2-CZ 4.36Å
56P87.2Confident91.6Very high81 Ų8156.2 Ų56.253%0.52630%0.3SS..G310 helixtrans-63.8-29.3-178.7-26.937.7000114.3D12D12-P56 HydrophobicContact CB-CG 4.37Å; D12-P56 WeakPolarHBondContact OD2-CG 3.32Å
57S90.1Very high91.6Very high94 Ų9462.4 Ų62.466%0.65733%0.332SS*.G310 helixtrans-960.7178.645.20000113.3D54 I55D54-S57 CarbonylContact O-C 3.51Å; D54-S57 PolarHBondContact O-N 2.52Å; D54-S57 VanDerWaalsContact O-N 3.1Å; D54-S57 PolarHBondContact O-OG 2.81Å; I55-S57 VanDerWaalsContact C-N 3.26Å; I55-S57 PolarHBondContact O-N 2.83Å
58S92.5Very high91.7Very high16 Ų1664 Ų6411%0.11234%0.343CS..SBendtrans-66.6140-176.4-70.40000111.5D48 D54 I55 V60D48-S58 WeakPolarHBondContact O-CB 3.39Å; D48-S58 PolarHBondContact O-OG 2.69Å; D54-S58 PolarHBondContact O-N 3.09Å; D54-S58 PolarHBondContact O-OG 2.97Å; I55-S58 WeakPolarHBondContact CA-OG 3.3Å; I55-S58 VanDerWaalsContact O-CB 3.26Å; I55-S58 WeakPolarHBondContact O-CB 3.31Å; I55-S58 PolarHBondContact O-N 3.37Å; I55-S58 VanDerWaalsContact O-N 3.15Å; I55-S58 PolarHBondContact O-OG 3.49Å; S58-V60 PolarHBondContact O-N 3.36Å
59P93.4Very high92Very high79 Ų7963.6 Ų63.651%0.51334%0.342SS..  trans-56.1131.4176.2-26.133.5000112.4I47 D48 W61I47-P59 WeakPolarHBondContact CA-O 3.33Å; D48-P59 HydrophobicContact CB-CB 4.3Å; D48-P59 HydrophobicContact CB-CG 4.39Å; D48-P59 PolarHBondContact N-O 2.9Å; P59-W61 HydrophobicContact CB-CE3 4.49Å; P59-W61 HydrophobicContact CB-CZ3 4.14Å
60V95.2Very high92.4Very high61 Ų6163.5 Ų63.537%0.3734%0.341SS..EExtended strand (participates in β ladder)trans-125.8137.9175.5174.70000109.2T14 V16 F46 I47 S58T14-V60 HydrophobicContact CG2-CG2 3.61Å; V16-V60 HydrophobicContact CG1-CG2 4.46Å; F46-V60 VanDerWaalsContact O-CA 3.23Å; F46-V60 WeakPolarHBondContact O-CA 3.3Å; F46-V60 WeakPolarHBondContact O-CG1 3.49Å; I47-V60 HydrophobicContact CB-CG2 4.14Å; I47-V60 HydrophobicContact CD1-CG2 4.23Å; I47-V60 HydrophobicContact CG1-CG2 4Å; S58-V60 PolarHBondContact O-N 3.36Å
61W95Very high93Very high80 Ų8059.6 Ų59.630%0.30332%0.318SS..EExtended strand (participates in β ladder)trans-139.5156.91725893000110.8F34 G45 F46 D48 P59 F63F34-W61 AromaticContact CD1-CH2 3.44Å; F34-W61 HydrophobicContact CD1-CH2 3.44Å; F34-W61 VanDerWaalsContact CD1-CH2 3.44Å; F34-W61 AromaticContact CD1-CZ2 3.87Å; F34-W61 HydrophobicContact CD1-CZ2 3.87Å; F34-W61 AromaticContact CE1-CH2 3.58Å; F34-W61 HydrophobicContact CE1-CH2 3.58Å; F34-W61 HydrophobicContact CE1-CZ2 4.18Å; F34-W61 HydrophobicContact CG-CH2 4.44Å; F34-W61 HydrophobicContact CG-CZ2 4.49Å; G45-W61 CarbonylContact C-O 3.47Å; G45-W61 WeakPolarHBondContact CA-O 3.42Å; F46-W61 HydrophobicContact CB-CD2 3.72Å; F46-W61 HydrophobicContact CB-CE3 4.44Å; F46-W61 HydrophobicContact CB-CG 4.03Å; F46-W61 HydrophobicContact CB-CH2 4.24Å; F46-W61 HydrophobicContact CB-CZ2 3.49Å; F46-W61 VanDerWaalsContact CB-CZ2 3.49Å; F46-W61 HydrophobicContact CD1-CZ2 4.32Å; F46-W61 AromaticContact CD1-NE1 3.88Å; F46-W61 AromaticContact CD2-CD1 3.53Å; F46-W61 AromaticContact CD2-NE1 3.36Å; F46-W61 AromaticContact CG-CD1 3.78Å; F46-W61 AromaticContact CG-CE2 3.71Å; F46-W61 HydrophobicContact CG-CZ2 4.1Å; F46-W61 AromaticContact CG-NE1 3.19Å; F46-W61 PolarHBondContact N-O 3.46Å; F46-W61 PolarHBondContact O-N 3.27Å; D48-W61 HydrophobicContact CB-CH2 4.24Å; D48-W61 HydrophobicContact CB-CZ3 4.13Å; P59-W61 HydrophobicContact CB-CE3 4.49Å; P59-W61 HydrophobicContact CB-CZ3 4.14Å; W61-F63 AromaticContact CD1-CE2 3.47Å; W61-F63 VanDerWaalsContact CD1-CE2 3.47Å
62Q96Very high93.5Very high74 Ų7457.7 Ų57.735%0.34630%0.304SS..EExtended strand (participates in β ladder)trans-140.3140.4-173.3-169.8-179.314.600110.2N43 I44N43-Q62 HydrophobicContact CB-CG 3.93Å; N43-Q62 PolarHBondContact ND2-NE2 2.82Å; I44-Q62 WeakPolarHBondContact O-CA 3.39Å
63F97.2Very high94.3Very high61 Ų6155.6 Ų55.627%0.26829%0.294SS..EExtended strand (participates in β ladder)trans-123.1156.1170-61.4-86.9000109.4N43 I44 F46 W61 P65 F95 K100 F102N43-F63 CarbonylContact C-O 3.58Å; N43-F63 WeakPolarHBondContact CA-O 3.42Å; N43-F63 WeakPolarHBondContact CB-O 3.5Å; I44-F63 PolarHBondContact N-O 3.16Å; I44-F63 PolarHBondContact O-N 2.97Å; F46-F63 HydrophobicContact CD2-CD2 4.18Å; F46-F63 HydrophobicContact CD2-CE2 4.43Å; F46-F63 AromaticContact CE2-CD2 3.81Å; F46-F63 HydrophobicContact CE2-CD2 3.81Å; F46-F63 HydrophobicContact CE2-CE2 4.21Å; W61-F63 AromaticContact CD1-CE2 3.47Å; W61-F63 VanDerWaalsContact CD1-CE2 3.47Å; F63-P65 VanDerWaalsContact O-CD 3.25Å; F63-P65 WeakPolarHBondContact O-CD 3.28Å; F63-F95 HydrophobicContact CD2-CE2 4.11Å; F63-F95 HydrophobicContact CD2-CZ 4.14Å; F63-F95 HydrophobicContact CE1-CE2 4.37Å; F63-F95 HydrophobicContact CE2-CE1 4.37Å; F63-F95 AromaticContact CE2-CE2 3.71Å; F63-F95 HydrophobicContact CE2-CE2 3.71Å; F63-F95 AromaticContact CE2-CZ 3.43Å; F63-F95 HydrophobicContact CE2-CZ 3.43Å; F63-F95 VanDerWaalsContact CE2-CZ 3.43Å; F63-F95 AromaticContact CZ-CE2 3.88Å; F63-F95 HydrophobicContact CZ-CE2 3.88Å; F63-F95 AromaticContact CZ-CZ 3.79Å; F63-F95 HydrophobicContact CZ-CZ 3.79Å; F63-K100 HydrophobicContact CZ-CB 4.27Å; F63-F102 HydrophobicContact CB-CD2 4.28Å; F63-F102 HydrophobicContact CB-CE2 3.63Å; F63-F102 HydrophobicContact CD2-CE2 4.11Å; F63-F102 HydrophobicContact CG-CD2 4.5Å; F63-F102 AromaticContact CG-CE2 3.88Å; F63-F102 HydrophobicContact CG-CE2 3.88Å
64K97.5Very high94.9Very high133 Ų13349 Ų4958%0.57827%0.265SS*.  trans-116.273.9171.7-167.9176.8-173.5-176.40110.5Q41 N43Q41-K64 WeakPolarHBondContact O-CE 3.45Å; N43-K64 WeakPolarHBondContact OD1-CB 3.48Å; N43-K64 WeakPolarHBondContact OD1-CD 3.32Å; N43-K64 VanDerWaalsContact OD1-CG 3.25Å; N43-K64 WeakPolarHBondContact OD1-CG 3.36Å
65P97.6Very high95.2Very high12 Ų1245.5 Ų45.58%0.07825%0.246CC..  trans-67-53.4174.327.9-33.4000109.6G42 I44 F63 R93 F102G42-P65 WeakPolarHBondContact O-CD 3.28Å; I44-P65 HydrophobicContact CD1-CG 3.76Å; I44-P65 HydrophobicContact CG1-CG 3.87Å; F63-P65 VanDerWaalsContact O-CD 3.25Å; F63-P65 WeakPolarHBondContact O-CD 3.28Å; P65-R93 VanDerWaalsContact C-NH1 3.29Å; P65-R93 PolarHBondContact O-NH1 3.18Å; P65-R93 PolarHBondContact O-NH2 3.28Å; P65-R93 VanDerWaalsContact O-NH2 3.16Å; P65-F102 HydrophobicContact CB-CB 4.29Å; P65-F102 HydrophobicContact CB-CD1 3.59Å; P65-F102 HydrophobicContact CB-CD2 3.99Å; P65-F102 HydrophobicContact CB-CE1 3.81Å; P65-F102 HydrophobicContact CB-CE2 4.22Å; P65-F102 HydrophobicContact CB-CG 3.69Å; P65-F102 HydrophobicContact CB-CZ 4.14Å; P65-F102 HydrophobicContact CG-CD1 4Å; P65-F102 HydrophobicContact CG-CD2 4.34Å; P65-F102 HydrophobicContact CG-CE1 3.64Å; P65-F102 HydrophobicContact CG-CE2 4.06Å; P65-F102 HydrophobicContact CG-CG 4.33Å; P65-F102 HydrophobicContact CG-CZ 3.7Å
66H98.1Very high95.4Very high0 Ų045.7 Ų45.70%025%0.247CC..  trans-88.6163.5-170.6-65.2-78.1000112.9G42 V70 S85 A87 D89 S91 R93G42-H66 WeakPolarHBondContact CA-O 3.41Å; G42-H66 PolarHBondContact O-N 2.94Å; H66-V70 HydrophobicContact CB-CG2 4.05Å; H66-S85 WeakPolarHBondContact NE2-CB 3.35Å; H66-S85 PolarHBondContact NE2-OG 2.95Å; H66-A87 HydrophobicContact CB-CB 3.69Å; H66-A87 VanDerWaalsContact CG-CB 3.44Å; H66-A87 WeakPolarHBondContact ND1-CB 3.17Å; H66-D89 WeakPolarHBondContact CA-OD2 3.1Å; H66-D89 VanDerWaalsContact CB-OD2 3.24Å; H66-D89 WeakPolarHBondContact CB-OD2 3.21Å; H66-D89 IonicContact CG-OD2 3.61Å; H66-D89 IonicContact ND1-OD1 3.76Å; H66-D89 PolarHBondContact ND1-OD1 3.3Å; H66-D89 IonicContact ND1-OD2 2.93Å; H66-D89 PolarHBondContact ND1-OD2 3.19Å; H66-D89 VanDerWaalsContact ND1-OD2 3.08Å; H66-S91 PolarHBondContact CE1-OG 2.91Å; H66-S91 PolarHBondContact ND1-OG 3.43Å; H66-R93 VanDerWaalsContact CE1-CD 3.46Å; H66-R93 WeakPolarHBondContact CE1-CD 3.43Å; H66-R93 PolarHBondContact ND1-NE 3.05Å
67I97.2Very high95.4Very high133 Ų13348.2 Ų48.268%0.68225%0.251SS*.SBendtrans-105.1-6.1173.662171.9000113.2D89I67-D89 HydrophobicContact CD1-CB 4.27Å; I67-D89 HydrophobicContact CG1-CB 3.56Å; I67-D89 PolarHBondContact N-OD2 2.99Å; I67-D89 VanDerWaalsContact N-OD2 3.08Å
68S97.2Very high95.4Very high32 Ų3249.1 Ų49.122%0.22424%0.244CC..SBendtrans-132.3169.6-177.2-75.50000111.2G42 V70 Y88G42-S68 WeakPolarHBondContact CA-O 3.35Å; G42-S68 PolarHBondContact N-O 2.72Å; S68-V70 PolarHBondContact O-N 2.85Å; S68-Y88 VanDerWaalsContact CB-O 3.26Å; S68-Y88 WeakPolarHBondContact CB-O 3.34Å; S68-Y88 PolarHBondContact OG-O 2.8Å; S68-Y88 VanDerWaalsContact OG-O 3.1Å
69P97.2Very high95.3Very high23 Ų2351.7 Ų51.715%0.14926%0.256CS..  trans-50.8126.4-179.5-28.432.8000113.9Y22 D39 K40 N71 A87 Y88Y22-P69 HydrophobicContact CD1-CB 4.18Å; Y22-P69 HydrophobicContact CD2-CB 4.32Å; Y22-P69 HydrophobicContact CE1-CB 4.09Å; Y22-P69 HydrophobicContact CE2-CB 4.24Å; Y22-P69 HydrophobicContact CG-CB 4.3Å; D39-P69 WeakPolarHBondContact O-CA 2.99Å; K40-P69 HydrophobicContact CG-CG 4.1Å; K40-P69 WeakPolarHBondContact O-CA 3.27Å; K40-P69 VanDerWaalsContact O-CD 3.31Å; K40-P69 WeakPolarHBondContact O-CD 3.5Å; K40-P69 VanDerWaalsContact O-CG 3.27Å; K40-P69 WeakPolarHBondContact O-CG 3.24Å; P69-N71 PolarHBondContact O-N 3.25Å; P69-N71 VanDerWaalsContact O-N 3.09Å; P69-N71 PolarHBondContact O-OD1 3.26Å; P69-A87 VanDerWaalsContact O-CA 3.27Å; P69-A87 WeakPolarHBondContact O-CA 3.38Å; P69-A87 WeakPolarHBondContact O-CB 3.47Å; P69-Y88 HydrophobicContact CB-CD2 3.87Å; P69-Y88 HydrophobicContact CB-CE2 4.27Å; P69-Y88 HydrophobicContact CG-CD2 4Å; P69-Y88 PolarHBondContact O-N 3.35Å; P69-Y88 VanDerWaalsContact O-N 3.14Å
70V98.1Very high95.2Very high0 Ų050.8 Ų50.80%025%0.252CS..  trans-82.187.4177.6-166.60000109.5Y22 S23 D39 I44 H66 S68 V73Y22-V70 VanDerWaalsContact CB-O 3.23Å; Y22-V70 WeakPolarHBondContact CB-O 3.35Å; S23-V70 PolarHBondContact OG-O 2.83Å; D39-V70 PolarHBondContact O-N 3.27Å; I44-V70 HydrophobicContact CD1-CG1 4.12Å; I44-V70 HydrophobicContact CG1-CG1 4.21Å; I44-V70 HydrophobicContact CG1-CG2 4.21Å; H66-V70 HydrophobicContact CB-CG2 4.05Å; S68-V70 PolarHBondContact O-N 2.85Å; V70-V73 HydrophobicContact CG1-CG2 3.47Å; V70-V73 VanDerWaalsContact CG1-CG2 3.47Å
71N96.1Very high95.1Very high0 Ų049 Ų490%024%0.24CC..  trans-78.1-18.7-172.454.4-71.2000114.3P69 C86 A87 Y88 C113 K114 R221P69-N71 PolarHBondContact O-N 3.25Å; P69-N71 VanDerWaalsContact O-N 3.09Å; P69-N71 PolarHBondContact O-OD1 3.26Å; N71-C86 PolarHBondContact N-O 2.69Å; N71-C86 PolarHBondContact OD1-O 2.83Å; N71-A87 VanDerWaalsContact OD1-C 3.23Å; N71-A87 WeakPolarHBondContact OD1-CA 3.48Å; N71-Y88 HydrophobicContact CB-CD1 4.37Å; N71-Y88 HydrophobicContact CB-CE1 3.72Å; N71-Y88 HydrophobicContact CB-CE2 4.45Å; N71-Y88 WeakPolarHBondContact OD1-CD1 3.5Å; N71-Y88 PolarHBondContact OD1-N 3Å; N71-C113 PolarHBondContact ND2-O 2.8Å; N71-C113 PolarHBondContact OD1-O 3.12Å; N71-K114 WeakPolarHBondContact ND2-CA 3.41Å; N71-K114 PolarHBondContact ND2-O 2.88Å; N71-R221 VanDerWaalsContact O-CZ 3.26Å; N71-R221 PolarHBondContact O-NH1 3.29Å; N71-R221 PolarHBondContact O-NH2 2.57Å
72C97Very high95Very high5 Ų547.1 Ų47.13%0.03423%0.234CC..EExtended strand (participates in β ladder)trans-141.7133.6173.8-164.20000110.2S85 C86 F115 F116C72-S85 CarbonylContact O-C 3.49Å; C72-S85 VanDerWaalsContact O-CA 3.25Å; C72-S85 WeakPolarHBondContact O-CA 3.19Å; C72-C86 VanDerWaalsContact CB-SG 3.51Å; C72-C86 PolarHBondContact N-O 3.33Å; C72-C86 PolarHBondContact O-N 3.5Å; C72-F115 HydrophobicContact CB-CD2 4.34Å; C72-F116 HydrophobicContact CB-CD1 3.84Å; C72-F116 HydrophobicContact CB-CE1 3.78Å
73V97.7Very high95.1Very high5 Ų543.6 Ų43.63%0.0322%0.218CC..EExtended strand (participates in β ladder)trans-136.9131.6173.9172.30000106.5S23 A25 A36 I44 V70 L83 Y84S23-V73 VanDerWaalsContact OG-CG2 3.25Å; S23-V73 WeakPolarHBondContact OG-CG2 3.36Å; A25-V73 HydrophobicContact CB-CG1 3.95Å; A36-V73 HydrophobicContact CB-CG1 4.06Å; I44-V73 HydrophobicContact CD1-CG2 4.14Å; V70-V73 HydrophobicContact CG1-CG2 3.47Å; V70-V73 VanDerWaalsContact CG1-CG2 3.47Å; V73-L83 HydrophobicContact CG1-CD1 3.53Å; V73-L83 HydrophobicContact CG1-CD2 3.76Å; V73-L83 HydrophobicContact CG1-CG 3.87Å; V73-Y84 WeakPolarHBondContact CA-O 3.38Å
74K96.1Very high95.1Very high53 Ų5341.6 Ų41.623%0.2321%0.208CC..EExtended strand (participates in β ladder)trans-148.1139.2177.4-63.1-178175.71740110.3L83 Y84 F116 F118K74-L83 VanDerWaalsContact C-CD1 3.45Å; K74-L83 WeakPolarHBondContact O-CD1 3.26Å; K74-Y84 PolarHBondContact N-O 3.13Å; K74-Y84 PolarHBondContact O-N 3.38Å; K74-F116 HydrophobicContact CB-CE2 3.8Å; K74-F116 HydrophobicContact CB-CZ 3.7Å; K74-F116 HydrophobicContact CD-CD2 4.43Å; K74-F116 HydrophobicContact CD-CE2 3.87Å; K74-F116 HydrophobicContact CD-CZ 4.2Å; K74-F116 HydrophobicContact CG-CE2 4.05Å; K74-F116 HydrophobicContact CG-CZ 3.91Å; K74-F116 PolarHBondContact NZ-O 2.83Å; K74-F118 HydrophobicContact CB-CE2 4.02Å
75F94.7Very high95.2Very high13 Ų1335.2 Ų35.26%0.05718%0.181CC..EExtended strand (participates in β ladder)trans-72.5146.7165-70.5-82000109.6A25 V26 H27 P28 A36 E77 L83 L97A25-F75 HydrophobicContact CB-CD2 3.76Å; A25-F75 HydrophobicContact CB-CE2 3.91Å; V26-F75 WeakPolarHBondContact O-CD2 3.44Å; H27-F75 HydrophobicContact CB-CD2 4.33Å; H27-F75 HydrophobicContact CB-CE1 4.37Å; H27-F75 HydrophobicContact CB-CE2 3.99Å; H27-F75 HydrophobicContact CB-CZ 4.01Å; H27-F75 AromaticContact CD2-CD1 3.66Å; H27-F75 AromaticContact CD2-CE1 3.53Å; P28-F75 HydrophobicContact CG-CB 4.15Å; A36-F75 HydrophobicContact CB-CE2 4.14Å; A36-F75 HydrophobicContact CB-CZ 4.06Å; F75-E77 PolarHBondContact O-N 2.88Å; F75-L83 HydrophobicContact CB-CD1 4.37Å; F75-L83 HydrophobicContact CD1-CB 3.96Å; F75-L83 HydrophobicContact CD1-CD1 3.57Å; F75-L83 HydrophobicContact CD1-CG 4.42Å; F75-L83 HydrophobicContact CD2-CD1 3.66Å; F75-L83 HydrophobicContact CE1-CB 3.96Å; F75-L83 HydrophobicContact CE1-CD1 3.6Å; F75-L83 HydrophobicContact CE1-CG 4.32Å; F75-L83 HydrophobicContact CE2-CD1 3.71Å; F75-L83 HydrophobicContact CG-CD1 3.61Å; F75-L83 HydrophobicContact CZ-CD1 3.69Å; F75-L97 HydrophobicContact CE1-CD1 4.07Å; F75-L97 HydrophobicContact CE1-CD2 4.15Å
76N92.4Very high95.2Very high5 Ų534.7 Ų34.73%0.02718%0.177CC..EExtended strand (participates in β ladder)trans-73.4120.5173.8-178.2-24.3000108.7F78 N79 K82 Y84 F118N76-F78 PolarHBondContact O-N 3.14Å; N76-F78 WeakPolarHBondContact OD1-CA 3.26Å; N76-F78 WeakPolarHBondContact OD1-CB 3.34Å; N76-F78 PolarHBondContact OD1-N 2.8Å; N76-N79 HydrophobicContact CB-CB 4.45Å; N76-N79 WeakPolarHBondContact CB-O 3.42Å; N76-N79 CarbonylContact O-C 3.55Å; N76-N79 PolarHBondContact O-N 2.95Å; N76-N79 PolarHBondContact OD1-N 2.86Å; N76-K82 HydrophobicContact CB-CB 3.98Å; N76-K82 PolarHBondContact N-O 2.84Å; N76-Y84 HydrophobicContact CB-CD2 4.19Å; N76-Y84 HydrophobicContact CB-CE2 3.99Å; N76-F118 HydrophobicContact CB-CE1 4.23Å; N76-F118 HydrophobicContact CB-CZ 4Å
77E87Confident95.2Very high133 Ų13334.7 Ų34.762%0.62118%0.177SC*.THydrogen-bonded Turntrans-64-26.1-176.5-51.5177-163.300112.1F75F75-E77 PolarHBondContact O-N 2.88Å
78F89.7Confident95.1Very high113 Ų11331.7 Ų31.750%0.49616%0.158SC..THydrogen-bonded Turntrans-100.4-10.1-178.9-50.8-85.6000112.9N76 F118 G120 A121N76-F78 PolarHBondContact O-N 3.14Å; N76-F78 WeakPolarHBondContact OD1-CA 3.26Å; N76-F78 WeakPolarHBondContact OD1-CB 3.34Å; N76-F78 PolarHBondContact OD1-N 2.8Å; F78-F118 HydrophobicContact CE2-CB 4.46Å; F78-G120 VanDerWaalsContact CD2-C 3.49Å; F78-A121 HydrophobicContact CB-CB 3.6Å; F78-A121 HydrophobicContact CD1-CB 4Å; F78-A121 HydrophobicContact CD2-CB 4.19Å; F78-A121 VanDerWaalsContact CG-CA 3.42Å; F78-A121 HydrophobicContact CG-CB 3.66Å
79N91.2Very high95.1Very high71 Ų7131.5 Ų31.538%0.3815%0.154SC..EExtended strand (participates in β ladder)trans-149.993.3176.9-173.6-19.9000110.3N76 N81 K82N76-N79 HydrophobicContact CB-CB 4.45Å; N76-N79 WeakPolarHBondContact CB-O 3.42Å; N76-N79 CarbonylContact O-C 3.55Å; N76-N79 PolarHBondContact O-N 2.95Å; N76-N79 PolarHBondContact OD1-N 2.86Å; N79-N81 PolarHBondContact O-N 3.06Å; N79-N81 WeakPolarHBondContact OD1-CB 3.26Å; N79-N81 PolarHBondContact OD1-N 2.9Å; N79-N81 VanDerWaalsContact OD1-N 3.15Å; N79-K82 HydrophobicContact CB-CG 4.3Å; N79-K82 PolarHBondContact O-N 2.87Å
80S90.8Very high95.1Very high60 Ų6030.4 Ų30.442%0.4215%0.147SC..EExtended strand (participates in β ladder)trans-59.7-21-177.255.70000114.2H27 K82H27-S80 PolarHBondContact NE2-O 2.83Å; S80-K82 PolarHBondContact O-N 2.91Å
81N92.5Very high95Very high23 Ų2330.5 Ų30.512%0.12315%0.148CC..EExtended strand (participates in β ladder)trans-72.4-6.3174.4-176.550.5000113.6N79 D96 L97 H98N79-N81 PolarHBondContact O-N 3.06Å; N79-N81 WeakPolarHBondContact OD1-CB 3.26Å; N79-N81 PolarHBondContact OD1-N 2.9Å; N79-N81 VanDerWaalsContact OD1-N 3.15Å; N81-D96 PolarHBondContact ND2-OD1 2.93Å; N81-D96 PolarHBondContact ND2-OD2 3.24Å; N81-L97 VanDerWaalsContact O-CD1 3.26Å; N81-L97 WeakPolarHBondContact O-CD1 3.12Å; N81-L97 PolarHBondContact O-N 2.82Å; N81-L97 WeakPolarHBondContact OD1-CB 3.41Å; N81-L97 PolarHBondContact OD1-N 2.83Å; N81-H98 PolarHBondContact ND2-CD2 3.06Å; N81-H98 PolarHBondContact OD1-CD2 3.15Å; N81-H98 VanDerWaalsContact OD1-CG 3.22Å; N81-H98 PolarHBondContact OD1-N 2.83Å
82K94.6Very high95.1Very high41 Ų4130.5 Ų30.518%0.17815%0.148CC..EExtended strand (participates in β ladder)trans-114.2130.2-177.4-58-57.5-159.6173.30111.7N76 N79 S80 Y84 F95 D96N76-K82 HydrophobicContact CB-CB 3.98Å; N76-K82 PolarHBondContact N-O 2.84Å; N79-K82 HydrophobicContact CB-CG 4.3Å; N79-K82 PolarHBondContact O-N 2.87Å; S80-K82 PolarHBondContact O-N 2.91Å; K82-Y84 HydrophobicContact CB-CD2 4.37Å; K82-Y84 HydrophobicContact CB-CE2 3.78Å; K82-F95 WeakPolarHBondContact CA-O 3.33Å; K82-D96 HydrophobicContact CD-CB 4.38Å; K82-D96 IonicContact NZ-OD2 3.66Å; K82-D96 PolarHBondContact NZ-OD2 3.5Å
83L96.8Very high95.1Very high0 Ų033 Ų330%016%0.157CC..EExtended strand (participates in β ladder)trans-113.2132.8166.5-179.884.2000108.8A25 A36 I44 F46 V73 K74 F75 C94 F95 L97A25-L83 HydrophobicContact CB-CD1 4.33Å; A36-L83 HydrophobicContact CB-CD1 4.19Å; A36-L83 HydrophobicContact CB-CD2 3.91Å; I44-L83 HydrophobicContact CG2-CD2 4.13Å; F46-L83 HydrophobicContact CE1-CD2 3.78Å; F46-L83 HydrophobicContact CZ-CD2 3.58Å; V73-L83 HydrophobicContact CG1-CD1 3.53Å; V73-L83 HydrophobicContact CG1-CD2 3.76Å; V73-L83 HydrophobicContact CG1-CG 3.87Å; K74-L83 VanDerWaalsContact C-CD1 3.45Å; K74-L83 WeakPolarHBondContact O-CD1 3.26Å; F75-L83 HydrophobicContact CB-CD1 4.37Å; F75-L83 HydrophobicContact CD1-CB 3.96Å; F75-L83 HydrophobicContact CD1-CD1 3.57Å; F75-L83 HydrophobicContact CD1-CG 4.42Å; F75-L83 HydrophobicContact CD2-CD1 3.66Å; F75-L83 HydrophobicContact CE1-CB 3.96Å; F75-L83 HydrophobicContact CE1-CD1 3.6Å; F75-L83 HydrophobicContact CE1-CG 4.32Å; F75-L83 HydrophobicContact CE2-CD1 3.71Å; F75-L83 HydrophobicContact CG-CD1 3.61Å; F75-L83 HydrophobicContact CZ-CD1 3.69Å; L83-C94 CarbonylContact O-C 3.48Å; L83-C94 WeakPolarHBondContact O-CA 3.28Å; L83-F95 HydrophobicContact CB-CB 4.13Å; L83-F95 PolarHBondContact N-O 2.78Å; L83-F95 PolarHBondContact O-N 2.92Å; L83-L97 HydrophobicContact CB-CD1 4.2Å
84Y97.8Very high95Very high18 Ų1833.1 Ų33.17%0.07116%0.157CC..EExtended strand (participates in β ladder)trans-108.3146.7174.1-72-106.9000110.1V73 K74 N76 K82 V92 R93 C94 V105 F116 F118 L138V73-Y84 WeakPolarHBondContact CA-O 3.38Å; K74-Y84 PolarHBondContact N-O 3.13Å; K74-Y84 PolarHBondContact O-N 3.38Å; N76-Y84 HydrophobicContact CB-CD2 4.19Å; N76-Y84 HydrophobicContact CB-CE2 3.99Å; K82-Y84 HydrophobicContact CB-CD2 4.37Å; K82-Y84 HydrophobicContact CB-CE2 3.78Å; Y84-V92 HydrophobicContact CD1-CG1 4.34Å; Y84-R93 CarbonylContact C-O 3.52Å; Y84-R93 VanDerWaalsContact CA-O 3.29Å; Y84-R93 WeakPolarHBondContact CA-O 3.43Å; Y84-C94 HydrophobicContact CD1-CB 4Å; Y84-C94 HydrophobicContact CE1-CB 3.7Å; Y84-C94 HydrophobicContact CE2-CB 4.39Å; Y84-C94 HydrophobicContact CG-CB 4.48Å; Y84-C94 VanDerWaalsContact CZ-SG 3.52Å; Y84-V105 HydrophobicContact CD1-CG2 4.26Å; Y84-V105 HydrophobicContact CE1-CG1 4.4Å; Y84-V105 HydrophobicContact CE1-CG2 3.88Å; Y84-F116 WeakPolarHBondContact O-CZ 3.17Å; Y84-F118 AromaticContact CD2-CE1 3.8Å; Y84-F118 HydrophobicContact CD2-CE1 3.8Å; Y84-F118 AromaticContact CD2-CZ 3.53Å; Y84-F118 HydrophobicContact CD2-CZ 3.53Å; Y84-F118 HydrophobicContact CE2-CE1 4.02Å; Y84-F118 HydrophobicContact CE2-CZ 4.17Å; Y84-F118 HydrophobicContact CG-CE1 4.07Å; Y84-F118 AromaticContact CG-CZ 3.82Å; Y84-F118 HydrophobicContact CG-CZ 3.82Å; Y84-L138 HydrophobicContact CE1-CD1 4.36Å; Y84-L138 HydrophobicContact CE1-CD2 3.68Å
85S98.5Very high95.1Very high0 Ų030.8 Ų30.80%015%0.147CC..EExtended strand (participates in β ladder)trans-139.5143.8176.455.80000110.7I44 H66 C72 V92 R93I44-S85 VanDerWaalsContact CD1-CB 3.45Å; I44-S85 WeakPolarHBondContact CD1-OG 3.35Å; H66-S85 WeakPolarHBondContact NE2-CB 3.35Å; H66-S85 PolarHBondContact NE2-OG 2.95Å; C72-S85 CarbonylContact O-C 3.49Å; C72-S85 VanDerWaalsContact O-CA 3.25Å; C72-S85 WeakPolarHBondContact O-CA 3.19Å; S85-V92 CarbonylContact O-C 3.51Å; S85-V92 VanDerWaalsContact O-CA 3.25Å; S85-V92 WeakPolarHBondContact O-CA 3.27Å; S85-R93 PolarHBondContact N-O 3.24Å; S85-R93 PolarHBondContact O-N 3.48Å
86C98Very high95.1Very high0 Ų030.6 Ų30.60%015%0.147CC..EExtended strand (participates in β ladder)trans-124.6150.9164.6810000110.6N71 C72 S91 V92 C113 F116N71-C86 PolarHBondContact N-O 2.69Å; N71-C86 PolarHBondContact OD1-O 2.83Å; C72-C86 VanDerWaalsContact CB-SG 3.51Å; C72-C86 PolarHBondContact N-O 3.33Å; C72-C86 PolarHBondContact O-N 3.5Å; C86-S91 VanDerWaalsContact CA-O 3.32Å; C86-S91 WeakPolarHBondContact CA-O 3.5Å; C86-V92 HydrophobicContact CB-CG2 3.87Å; C86-C113 HydrophobicContact CB-CB 3.68Å; C86-F116 HydrophobicContact CB-CD1 3.84Å; C86-F116 HydrophobicContact CB-CE1 4.4Å
87A98Very high95.1Very high0 Ų031.8 Ų31.80%015%0.153CC..  trans-136.5166.8-177.300000112H66 P69 N71 D89 G90 S91H66-A87 HydrophobicContact CB-CB 3.69Å; H66-A87 VanDerWaalsContact CG-CB 3.44Å; H66-A87 WeakPolarHBondContact ND1-CB 3.17Å; P69-A87 VanDerWaalsContact O-CA 3.27Å; P69-A87 WeakPolarHBondContact O-CA 3.38Å; P69-A87 WeakPolarHBondContact O-CB 3.47Å; N71-A87 VanDerWaalsContact OD1-C 3.23Å; N71-A87 WeakPolarHBondContact OD1-CA 3.48Å; A87-D89 WeakPolarHBondContact CB-OD1 3.33Å; A87-D89 PolarHBondContact O-N 3.27Å; A87-G90 PolarHBondContact O-N 3.5Å; A87-S91 PolarHBondContact N-O 2.94Å
88Y96.9Very high95.3Very high70 Ų7033 Ų3328%0.27516%0.159SC..THydrogen-bonded Turntrans-74.228.7169.5-56.3-29.8000113.2Y22 S68 P69 N71 L112 C113 K114Y22-Y88 HydrophobicContact CE1-CE2 4.39Å; S68-Y88 VanDerWaalsContact CB-O 3.26Å; S68-Y88 WeakPolarHBondContact CB-O 3.34Å; S68-Y88 PolarHBondContact OG-O 2.8Å; S68-Y88 VanDerWaalsContact OG-O 3.1Å; P69-Y88 HydrophobicContact CB-CD2 3.87Å; P69-Y88 HydrophobicContact CB-CE2 4.27Å; P69-Y88 HydrophobicContact CG-CD2 4Å; P69-Y88 PolarHBondContact O-N 3.35Å; P69-Y88 VanDerWaalsContact O-N 3.14Å; N71-Y88 HydrophobicContact CB-CD1 4.37Å; N71-Y88 HydrophobicContact CB-CE1 3.72Å; N71-Y88 HydrophobicContact CB-CE2 4.45Å; N71-Y88 WeakPolarHBondContact OD1-CD1 3.5Å; N71-Y88 PolarHBondContact OD1-N 3Å; Y88-L112 HydrophobicContact CD1-CB 4.37Å; Y88-L112 WeakPolarHBondContact O-CD2 3.27Å; Y88-C113 WeakPolarHBondContact CD1-O 3.5Å; Y88-K114 HydrophobicContact CE1-CD 3.89Å
89D96.8Very high95.5Very high28 Ų2834.7 Ų34.715%0.1517%0.166CC..THydrogen-bonded Turntrans-107.614166.261.711000111.1H66 I67 A87 S91 R93H66-D89 WeakPolarHBondContact CA-OD2 3.1Å; H66-D89 VanDerWaalsContact CB-OD2 3.24Å; H66-D89 WeakPolarHBondContact CB-OD2 3.21Å; H66-D89 IonicContact CG-OD2 3.61Å; H66-D89 IonicContact ND1-OD1 3.76Å; H66-D89 PolarHBondContact ND1-OD1 3.3Å; H66-D89 IonicContact ND1-OD2 2.93Å; H66-D89 PolarHBondContact ND1-OD2 3.19Å; H66-D89 VanDerWaalsContact ND1-OD2 3.08Å; I67-D89 HydrophobicContact CD1-CB 4.27Å; I67-D89 HydrophobicContact CG1-CB 3.56Å; I67-D89 PolarHBondContact N-OD2 2.99Å; I67-D89 VanDerWaalsContact N-OD2 3.08Å; A87-D89 WeakPolarHBondContact CB-OD1 3.33Å; A87-D89 PolarHBondContact O-N 3.27Å; D89-S91 VanDerWaalsContact CG-OG 3.28Å; D89-S91 PolarHBondContact O-N 3.15Å; D89-S91 WeakPolarHBondContact OD1-CB 3.41Å; D89-S91 PolarHBondContact OD1-N 3.42Å; D89-S91 PolarHBondContact OD1-OG 3.13Å; D89-S91 PolarHBondContact OD2-OG 3.14Å; D89-R93 IonicContact OD2-NH2 2.88Å
90G96.2Very high95.5Very high0 Ų038.1 Ų38.10%018%0.177CC..SBendtrans76.1-1.6179.900000114.5A87 D108 D111 C113A87-G90 PolarHBondContact O-N 3.5Å; G90-D108 WeakPolarHBondContact CA-O 3.24Å; G90-D108 PolarHBondContact O-N 3.13Å; G90-D111 WeakPolarHBondContact CA-O 3.47Å; G90-C113 PolarHBondContact O-SG 2.92Å
91S96.9Very high95.7Very high2 Ų240.2 Ų40.21%0.01418%0.183CC..EExtended strand (participates in β ladder)trans-103149.7-173.674.80000114.6H66 C86 A87 D89 R93 F106H66-S91 PolarHBondContact CE1-OG 2.91Å; H66-S91 PolarHBondContact ND1-OG 3.43Å; C86-S91 VanDerWaalsContact CA-O 3.32Å; C86-S91 WeakPolarHBondContact CA-O 3.5Å; A87-S91 PolarHBondContact N-O 2.94Å; D89-S91 VanDerWaalsContact CG-OG 3.28Å; D89-S91 PolarHBondContact O-N 3.15Å; D89-S91 WeakPolarHBondContact OD1-CB 3.41Å; D89-S91 PolarHBondContact OD1-N 3.42Å; D89-S91 PolarHBondContact OD1-OG 3.13Å; D89-S91 PolarHBondContact OD2-OG 3.14Å; S91-R93 PolarHBondContact OG-NE 3.42Å; S91-F106 CarbonylContact C-O 3.57Å; S91-F106 VanDerWaalsContact CA-O 3.27Å; S91-F106 WeakPolarHBondContact CA-O 3.14Å
92V97.1Very high95.9Very high0 Ų041.2 Ų41.20%019%0.186CC..EExtended strand (participates in β ladder)trans-113.7132.9161179.90000108.4Y84 S85 C86 V105 F106 L124 V126Y84-V92 HydrophobicContact CD1-CG1 4.34Å; S85-V92 CarbonylContact O-C 3.51Å; S85-V92 VanDerWaalsContact O-CA 3.25Å; S85-V92 WeakPolarHBondContact O-CA 3.27Å; C86-V92 HydrophobicContact CB-CG2 3.87Å; V92-V105 HydrophobicContact CB-CB 4.37Å; V92-V105 HydrophobicContact CG1-CB 4.13Å; V92-V105 HydrophobicContact CG1-CG1 4.36Å; V92-V105 WeakPolarHBondContact O-CB 3.28Å; V92-V105 PolarHBondContact O-N 3.01Å; V92-F106 HydrophobicContact CB-CB 4.17Å; V92-F106 HydrophobicContact CG2-CB 4.44Å; V92-F106 HydrophobicContact CG2-CD1 4.04Å; V92-F106 PolarHBondContact N-O 3.22Å; V92-F106 PolarHBondContact O-N 2.84Å; V92-L124 HydrophobicContact CG1-CD2 3.75Å; V92-V126 HydrophobicContact CG2-CB 4.48Å; V92-V126 HydrophobicContact CG2-CG1 3.96Å; V92-V126 HydrophobicContact CG2-CG2 3.67Å
93R97.2Very high95.9Very high58 Ų5842.3 Ų42.322%0.21920%0.195CC..EExtended strand (participates in β ladder)trans-129153.1-178.9-61.4178.4-170.3-15216.4111P65 H66 Y84 S85 D89 S91 F102 N103P65-R93 VanDerWaalsContact C-NH1 3.29Å; P65-R93 PolarHBondContact O-NH1 3.18Å; P65-R93 PolarHBondContact O-NH2 3.28Å; P65-R93 VanDerWaalsContact O-NH2 3.16Å; H66-R93 VanDerWaalsContact CE1-CD 3.46Å; H66-R93 WeakPolarHBondContact CE1-CD 3.43Å; H66-R93 PolarHBondContact ND1-NE 3.05Å; Y84-R93 CarbonylContact C-O 3.52Å; Y84-R93 VanDerWaalsContact CA-O 3.29Å; Y84-R93 WeakPolarHBondContact CA-O 3.43Å; S85-R93 PolarHBondContact N-O 3.24Å; S85-R93 PolarHBondContact O-N 3.48Å; D89-R93 IonicContact OD2-NH2 2.88Å; S91-R93 PolarHBondContact OG-NE 3.42Å; R93-F102 HydrophobicContact CB-CD1 4.06Å; R93-N103 CarbonylContact C-O 3.58Å; R93-N103 VanDerWaalsContact CA-O 3.31Å; R93-N103 WeakPolarHBondContact CA-O 3.31Å
94C96.7Very high95.8Very high7 Ų749 Ų495%0.04723%0.226CC..EExtended strand (participates in β ladder)trans-121.6117.8178.2179.20000110.1L83 Y84 F102 N103 V105L83-C94 CarbonylContact O-C 3.48Å; L83-C94 WeakPolarHBondContact O-CA 3.28Å; Y84-C94 HydrophobicContact CD1-CB 4Å; Y84-C94 HydrophobicContact CE1-CB 3.7Å; Y84-C94 HydrophobicContact CE2-CB 4.39Å; Y84-C94 HydrophobicContact CG-CB 4.48Å; Y84-C94 VanDerWaalsContact CZ-SG 3.52Å; C94-F102 CarbonylContact O-C 3.55Å; C94-F102 WeakPolarHBondContact O-CA 3.07Å; C94-N103 PolarHBondContact N-O 2.68Å; C94-N103 PolarHBondContact O-N 2.95Å; C94-V105 HydrophobicContact CB-CG2 3.49Å; C94-V105 VanDerWaalsContact CB-CG2 3.49Å
95F97.6Very high95.6Very high4 Ų450.1 Ų50.12%0.01823%0.234CC..EExtended strand (participates in β ladder)trans-85.8130.6168.6-172.4-122.2000110.6F46 F63 K82 L83 L97 K100 L101 F102F46-F95 HydrophobicContact CE1-CD1 4.18Å; F46-F95 HydrophobicContact CE1-CE1 4.15Å; F46-F95 HydrophobicContact CE2-CE1 4.29Å; F46-F95 AromaticContact CZ-CD1 3.66Å; F46-F95 HydrophobicContact CZ-CD1 3.66Å; F46-F95 AromaticContact CZ-CE1 3.72Å; F46-F95 HydrophobicContact CZ-CE1 3.72Å; F46-F95 HydrophobicContact CZ-CG 4.4Å; F46-F95 HydrophobicContact CZ-CZ 4.49Å; F63-F95 HydrophobicContact CD2-CE2 4.11Å; F63-F95 HydrophobicContact CD2-CZ 4.14Å; F63-F95 HydrophobicContact CE1-CE2 4.37Å; F63-F95 HydrophobicContact CE2-CE1 4.37Å; F63-F95 AromaticContact CE2-CE2 3.71Å; F63-F95 HydrophobicContact CE2-CE2 3.71Å; F63-F95 AromaticContact CE2-CZ 3.43Å; F63-F95 HydrophobicContact CE2-CZ 3.43Å; F63-F95 VanDerWaalsContact CE2-CZ 3.43Å; F63-F95 AromaticContact CZ-CE2 3.88Å; F63-F95 HydrophobicContact CZ-CE2 3.88Å; F63-F95 AromaticContact CZ-CZ 3.79Å; F63-F95 HydrophobicContact CZ-CZ 3.79Å; K82-F95 WeakPolarHBondContact CA-O 3.33Å; L83-F95 HydrophobicContact CB-CB 4.13Å; L83-F95 PolarHBondContact N-O 2.78Å; L83-F95 PolarHBondContact O-N 2.92Å; F95-L97 HydrophobicContact CD1-CD1 3.73Å; F95-L97 HydrophobicContact CD1-CG 4.06Å; F95-L97 HydrophobicContact CE1-CB 4.46Å; F95-L97 HydrophobicContact CE1-CD1 4.18Å; F95-L97 HydrophobicContact CE1-CG 3.98Å; F95-K100 HydrophobicContact CE2-CB 4.4Å; F95-K100 HydrophobicContact CZ-CB 4.26Å; F95-L101 WeakPolarHBondContact CA-O 3.15Å; F95-F102 HydrophobicContact CB-CD1 3.87Å; F95-F102 HydrophobicContact CB-CD2 4.37Å; F95-F102 HydrophobicContact CB-CE1 3.54Å; F95-F102 HydrophobicContact CB-CE2 4.04Å; F95-F102 HydrophobicContact CB-CG 4.28Å; F95-F102 HydrophobicContact CB-CZ 3.61Å; F95-F102 HydrophobicContact CD2-CD1 4.39Å; F95-F102 AromaticContact CD2-CD2 3.38Å; F95-F102 HydrophobicContact CD2-CD2 3.38Å; F95-F102 HydrophobicContact CD2-CE1 4.28Å; F95-F102 AromaticContact CD2-CE2 3.19Å; F95-F102 HydrophobicContact CD2-CE2 3.19Å; F95-F102 AromaticContact CD2-CG 3.98Å; F95-F102 HydrophobicContact CD2-CG 3.98Å; F95-F102 AromaticContact CD2-CZ 3.7Å; F95-F102 HydrophobicContact CD2-CZ 3.7Å; F95-F102 HydrophobicContact CE2-CD2 4.01Å; F95-F102 AromaticContact CE2-CE2 3.74Å; F95-F102 HydrophobicContact CE2-CE2 3.74Å; F95-F102 HydrophobicContact CG-CD2 4.23Å; F95-F102 HydrophobicContact CG-CE1 4.21Å; F95-F102 AromaticContact CG-CE2 3.78Å; F95-F102 HydrophobicContact CG-CE2 3.78Å; F95-F102 AromaticContact CG-CZ 3.77Å; F95-F102 HydrophobicContact CG-CZ 3.77Å
96D95.2Very high95.4Very high9 Ų951.2 Ų51.25%0.04824%0.239CC..EExtended strand (participates in β ladder)trans-95.8114.3166.7-171.6-52.6000108.9N81 K82 H98 K99 K100 L101N81-D96 PolarHBondContact ND2-OD1 2.93Å; N81-D96 PolarHBondContact ND2-OD2 3.24Å; K82-D96 HydrophobicContact CD-CB 4.38Å; K82-D96 IonicContact NZ-OD2 3.66Å; K82-D96 PolarHBondContact NZ-OD2 3.5Å; D96-H98 PolarHBondContact O-N 2.93Å; D96-H98 PolarHBondContact OD1-N 2.86Å; D96-K99 HydrophobicContact CB-CB 4.01Å; D96-K99 HydrophobicContact CB-CG 4.4Å; D96-K99 PolarHBondContact O-N 3.06Å; D96-K99 PolarHBondContact OD1-N 3.28Å; D96-K100 VanDerWaalsContact O-CA 3.28Å; D96-K100 WeakPolarHBondContact O-CA 3.35Å; D96-K100 PolarHBondContact O-N 2.82Å; D96-L101 PolarHBondContact N-O 2.95Å; D96-L101 PolarHBondContact O-N 3.21Å
97L92.3Very high95.2Very high31 Ų3153.7 Ų53.716%0.16225%0.254CS..THydrogen-bonded Turntrans-64.3-41.4-174.8-85.574.4000111.7F34 F75 N81 L83 F95 K100F34-L97 HydrophobicContact CD2-CD2 4.24Å; F75-L97 HydrophobicContact CE1-CD1 4.07Å; F75-L97 HydrophobicContact CE1-CD2 4.15Å; N81-L97 VanDerWaalsContact O-CD1 3.26Å; N81-L97 WeakPolarHBondContact O-CD1 3.12Å; N81-L97 PolarHBondContact O-N 2.82Å; N81-L97 WeakPolarHBondContact OD1-CB 3.41Å; N81-L97 PolarHBondContact OD1-N 2.83Å; L83-L97 HydrophobicContact CB-CD1 4.2Å; F95-L97 HydrophobicContact CD1-CD1 3.73Å; F95-L97 HydrophobicContact CD1-CG 4.06Å; F95-L97 HydrophobicContact CE1-CB 4.46Å; F95-L97 HydrophobicContact CE1-CD1 4.18Å; F95-L97 HydrophobicContact CE1-CG 3.98Å; L97-K100 WeakPolarHBondContact O-CG 3.45Å
98H89.9Confident94.9Very high159 Ų15955.8 Ų55.874%0.73627%0.265SS*.THydrogen-bonded Turntrans-66.2-46.4177.7-69.9-50.1000112.1N81 D96 K100N81-H98 PolarHBondContact ND2-CD2 3.06Å; N81-H98 PolarHBondContact OD1-CD2 3.15Å; N81-H98 VanDerWaalsContact OD1-CG 3.22Å; N81-H98 PolarHBondContact OD1-N 2.83Å; D96-H98 PolarHBondContact O-N 2.93Å; D96-H98 PolarHBondContact OD1-N 2.86Å; H98-K100 VanDerWaalsContact C-N 3.32Å
99K94.1Very high94.6Very high148 Ų14861.2 Ų61.264%0.64329%0.293SS*.THydrogen-bonded Turntrans-78.9-17.4-179.4-61.1-178.5-178-175.60113.2D96 L101D96-K99 HydrophobicContact CB-CB 4.01Å; D96-K99 HydrophobicContact CB-CG 4.4Å; D96-K99 PolarHBondContact O-N 3.06Å; D96-K99 PolarHBondContact OD1-N 3.28Å; K99-L101 VanDerWaalsContact C-N 3.25Å; K99-L101 HydrophobicContact CB-CB 4.42Å; K99-L101 HydrophobicContact CB-CD1 4.41Å; K99-L101 PolarHBondContact O-N 3.24Å
100K92.3Very high94.4Very high142 Ų14267.6 Ų67.662%0.61733%0.327SS*.THydrogen-bonded Turntrans5539.6-173.4-56.8-179.5-178.7-179.60112.9F63 F95 D96 L97 H98F63-K100 HydrophobicContact CZ-CB 4.27Å; F95-K100 HydrophobicContact CE2-CB 4.4Å; F95-K100 HydrophobicContact CZ-CB 4.26Å; D96-K100 VanDerWaalsContact O-CA 3.28Å; D96-K100 WeakPolarHBondContact O-CA 3.35Å; D96-K100 PolarHBondContact O-N 2.82Å; L97-K100 WeakPolarHBondContact O-CG 3.45Å; H98-K100 VanDerWaalsContact C-N 3.32Å
101L94.9Very high94.3Very high104 Ų10468.6 Ų68.655%0.54533%0.333SS..EExtended strand (participates in β ladder)trans-128.8138.1-177-71.6172.5000111.5F95 D96 K99F95-L101 WeakPolarHBondContact CA-O 3.15Å; D96-L101 PolarHBondContact N-O 2.95Å; D96-L101 PolarHBondContact O-N 3.21Å; K99-L101 VanDerWaalsContact C-N 3.25Å; K99-L101 HydrophobicContact CB-CB 4.42Å; K99-L101 HydrophobicContact CB-CD1 4.41Å; K99-L101 PolarHBondContact O-N 3.24Å
102F96.4Very high94.2Very high44 Ų4471.3 Ų71.319%0.19335%0.347CS..EExtended strand (participates in β ladder)trans-88.9135.9167.6-78.2-93.3000110I44 F63 P65 R93 C94 F95I44-F102 HydrophobicContact CB-CZ 4.41Å; I44-F102 HydrophobicContact CD1-CE1 3.87Å; I44-F102 HydrophobicContact CD1-CZ 3.91Å; F63-F102 HydrophobicContact CB-CD2 4.28Å; F63-F102 HydrophobicContact CB-CE2 3.63Å; F63-F102 HydrophobicContact CD2-CE2 4.11Å; F63-F102 HydrophobicContact CG-CD2 4.5Å; F63-F102 AromaticContact CG-CE2 3.88Å; F63-F102 HydrophobicContact CG-CE2 3.88Å; P65-F102 HydrophobicContact CB-CB 4.29Å; P65-F102 HydrophobicContact CB-CD1 3.59Å; P65-F102 HydrophobicContact CB-CD2 3.99Å; P65-F102 HydrophobicContact CB-CE1 3.81Å; P65-F102 HydrophobicContact CB-CE2 4.22Å; P65-F102 HydrophobicContact CB-CG 3.69Å; P65-F102 HydrophobicContact CB-CZ 4.14Å; P65-F102 HydrophobicContact CG-CD1 4Å; P65-F102 HydrophobicContact CG-CD2 4.34Å; P65-F102 HydrophobicContact CG-CE1 3.64Å; P65-F102 HydrophobicContact CG-CE2 4.06Å; P65-F102 HydrophobicContact CG-CG 4.33Å; P65-F102 HydrophobicContact CG-CZ 3.7Å; R93-F102 HydrophobicContact CB-CD1 4.06Å; C94-F102 CarbonylContact O-C 3.55Å; C94-F102 WeakPolarHBondContact O-CA 3.07Å; F95-F102 HydrophobicContact CB-CD1 3.87Å; F95-F102 HydrophobicContact CB-CD2 4.37Å; F95-F102 HydrophobicContact CB-CE1 3.54Å; F95-F102 HydrophobicContact CB-CE2 4.04Å; F95-F102 HydrophobicContact CB-CG 4.28Å; F95-F102 HydrophobicContact CB-CZ 3.61Å; F95-F102 HydrophobicContact CD2-CD1 4.39Å; F95-F102 AromaticContact CD2-CD2 3.38Å; F95-F102 HydrophobicContact CD2-CD2 3.38Å; F95-F102 HydrophobicContact CD2-CE1 4.28Å; F95-F102 AromaticContact CD2-CE2 3.19Å; F95-F102 HydrophobicContact CD2-CE2 3.19Å; F95-F102 AromaticContact CD2-CG 3.98Å; F95-F102 HydrophobicContact CD2-CG 3.98Å; F95-F102 AromaticContact CD2-CZ 3.7Å; F95-F102 HydrophobicContact CD2-CZ 3.7Å; F95-F102 HydrophobicContact CE2-CD2 4.01Å; F95-F102 AromaticContact CE2-CE2 3.74Å; F95-F102 HydrophobicContact CE2-CE2 3.74Å; F95-F102 HydrophobicContact CG-CD2 4.23Å; F95-F102 HydrophobicContact CG-CE1 4.21Å; F95-F102 AromaticContact CG-CE2 3.78Å; F95-F102 HydrophobicContact CG-CE2 3.78Å; F95-F102 AromaticContact CG-CZ 3.77Å; F95-F102 HydrophobicContact CG-CZ 3.77Å
103N94.4Very high94.1Very high65 Ų6571.3 Ų71.335%0.34835%0.347SS..EExtended strand (participates in β ladder)trans-116.9146.6168-58.3-83.1000108.9R93 C94R93-N103 CarbonylContact C-O 3.58Å; R93-N103 VanDerWaalsContact CA-O 3.31Å; R93-N103 WeakPolarHBondContact CA-O 3.31Å; C94-N103 PolarHBondContact N-O 2.68Å; C94-N103 PolarHBondContact O-N 2.95Å
104E94.6Very high93.9Very high140 Ų14071.8 Ų71.865%0.65435%0.35SS*.EExtended strand (participates in β ladder)trans-68.7137.4167.8-169.8174.699.900110.2V107E104-V107 HydrophobicContact CG-CG2 3.6Å; E104-V107 VanDerWaalsContact OE2-CG2 3.3Å; E104-V107 WeakPolarHBondContact OE2-CG2 3.46Å
105V93.8Very high93.8Very high42 Ų4274.6 Ų74.626%0.25536%0.362SS..EExtended strand (participates in β ladder)trans-113.4-40176.7177.40000110.1Y84 V92 C94 I136 L138Y84-V105 HydrophobicContact CD1-CG2 4.26Å; Y84-V105 HydrophobicContact CE1-CG1 4.4Å; Y84-V105 HydrophobicContact CE1-CG2 3.88Å; V92-V105 HydrophobicContact CB-CB 4.37Å; V92-V105 HydrophobicContact CG1-CB 4.13Å; V92-V105 HydrophobicContact CG1-CG1 4.36Å; V92-V105 WeakPolarHBondContact O-CB 3.28Å; V92-V105 PolarHBondContact O-N 3.01Å; C94-V105 HydrophobicContact CB-CG2 3.49Å; C94-V105 VanDerWaalsContact CB-CG2 3.49Å; V105-I136 HydrophobicContact CG1-CG2 4.08Å; V105-L138 HydrophobicContact CG1-CD2 3.98Å
106F93.4Very high93.7Very high22 Ų2274.5 Ų74.510%0.09636%0.361CS..EExtended strand (participates in β ladder)trans-158145.5-178.8166-99.6000109.1S91 V92 D108 V134 I136 V145S91-F106 CarbonylContact C-O 3.57Å; S91-F106 VanDerWaalsContact CA-O 3.27Å; S91-F106 WeakPolarHBondContact CA-O 3.14Å; V92-F106 HydrophobicContact CB-CB 4.17Å; V92-F106 HydrophobicContact CG2-CB 4.44Å; V92-F106 HydrophobicContact CG2-CD1 4.04Å; V92-F106 PolarHBondContact N-O 3.22Å; V92-F106 PolarHBondContact O-N 2.84Å; F106-D108 HydrophobicContact CE1-CB 3.95Å; F106-D108 HydrophobicContact CZ-CB 3.65Å; F106-V134 HydrophobicContact CD2-CG1 4.11Å; F106-V134 HydrophobicContact CE1-CG1 4.46Å; F106-V134 HydrophobicContact CE2-CG1 3.63Å; F106-V134 HydrophobicContact CZ-CB 4.4Å; F106-V134 HydrophobicContact CZ-CG1 3.8Å; F106-V134 HydrophobicContact CZ-CG2 4.01Å; F106-I136 HydrophobicContact CB-CD1 3.48Å; F106-I136 VanDerWaalsContact CB-CD1 3.48Å; F106-I136 HydrophobicContact CB-CG1 4.45Å; F106-I136 HydrophobicContact CD1-CD1 4.43Å; F106-I136 HydrophobicContact CD2-CD1 4.2Å; F106-I136 HydrophobicContact CG-CD1 3.8Å; F106-V145 HydrophobicContact CD2-CG1 4.22Å; F106-V145 HydrophobicContact CD2-CG2 4.33Å; F106-V145 HydrophobicContact CE2-CG1 4Å
107V93.8Very high93.6Very high52 Ų5275.8 Ų75.832%0.31537%0.374SS..EExtended strand (participates in β ladder)trans-140.9136169.7178.50000107.7E104 E109E104-V107 HydrophobicContact CG-CG2 3.6Å; E104-V107 VanDerWaalsContact OE2-CG2 3.3Å; E104-V107 WeakPolarHBondContact OE2-CG2 3.46Å; V107-E109 HydrophobicContact CG1-CG 4.04Å
108D91.9Very high93.7Very high44 Ų4475.5 Ų75.524%0.23537%0.371CS..  trans-121113.4163-170.8-22.8000107.1G90 F106 D110 D111G90-D108 WeakPolarHBondContact CA-O 3.24Å; G90-D108 PolarHBondContact O-N 3.13Å; F106-D108 HydrophobicContact CE1-CB 3.95Å; F106-D108 HydrophobicContact CZ-CB 3.65Å; D108-D110 PolarHBondContact O-N 2.78Å; D108-D110 PolarHBondContact OD1-N 2.89Å; D108-D111 HydrophobicContact CB-CB 4.44Å; D108-D111 PolarHBondContact OD1-N 2.87Å
109E91Very high93.7Very high185 Ų18571.4 Ų71.486%0.86436%0.36SS*.SBendtrans-74.5-17.8-177.8-62.8-172.9165.100112.3V107V107-E109 HydrophobicContact CG1-CG 4.04Å
110D92.5Very high93.5Very high162 Ų16265.1 Ų65.187%0.86634%0.338SS*.SBendtrans-101.6-6.9-173.7-65.6-47000113.1D108D108-D110 PolarHBondContact O-N 2.78Å; D108-D110 PolarHBondContact OD1-N 2.89Å
111D93.4Very high93.4Very high20 Ų2060.1 Ų60.111%0.10732%0.323CS..SBendtrans-140.1169.3-176-153-17.2000113G90 D108 T128 H129 S130G90-D111 WeakPolarHBondContact CA-O 3.47Å; D108-D111 HydrophobicContact CB-CB 4.44Å; D108-D111 PolarHBondContact OD1-N 2.87Å; D111-T128 WeakPolarHBondContact OD2-CB 3.4Å; D111-T128 PolarHBondContact OD2-OG1 3.27Å; D111-H129 WeakPolarHBondContact OD1-CA 3.46Å; D111-H129 WeakPolarHBondContact OD1-CB 3.37Å; D111-H129 PolarHBondContact OD1-N 2.78Å; D111-S130 PolarHBondContact OD1-N 2.79Å; D111-S130 WeakPolarHBondContact OD2-CB 3.42Å; D111-S130 PolarHBondContact OD2-N 2.9Å; D111-S130 PolarHBondContact OD2-OG 2.93Å
112L95.3Very high93.1Very high59 Ų5959.7 Ų59.731%0.30932%0.318SS..  trans-112.6132-180-42.9175.2000110.4Y88 K114 T128 H129Y88-L112 HydrophobicContact CD1-CB 4.37Å; Y88-L112 WeakPolarHBondContact O-CD2 3.27Å; L112-K114 PolarHBondContact O-N 2.85Å; L112-T128 CarbonylContact O-C 3.56Å; L112-T128 VanDerWaalsContact O-CA 3.24Å; L112-T128 WeakPolarHBondContact O-CA 3.27Å; L112-H129 HydrophobicContact CB-CB 4.06Å; L112-H129 HydrophobicContact CD1-CB 4.48Å; L112-H129 HydrophobicContact CG-CB 4.34Å; L112-H129 PolarHBondContact O-N 3.41Å
113C95.6Very high92.9Very high1 Ų159.6 Ų59.61%0.00732%0.318CS..EExtended strand (participates in β ladder)trans-72.1121171.6-70.40000110.9N71 C86 Y88 G90 V126N71-C113 PolarHBondContact ND2-O 2.8Å; N71-C113 PolarHBondContact OD1-O 3.12Å; C86-C113 HydrophobicContact CB-CB 3.68Å; Y88-C113 WeakPolarHBondContact CD1-O 3.5Å; G90-C113 PolarHBondContact O-SG 2.92Å; C113-V126 HydrophobicContact CB-CG1 4.06Å; C113-V126 VanDerWaalsContact SG-CG1 3.54Å
114K93.2Very high92.8Very high67 Ų6756.5 Ų56.529%0.29130%0.301SS..EExtended strand (participates in β ladder)trans-94.8-35.6179.5-67.9-65.1-177.4-174.30113.8N71 Y88 L112 A127 H129N71-K114 WeakPolarHBondContact ND2-CA 3.41Å; N71-K114 PolarHBondContact ND2-O 2.88Å; Y88-K114 HydrophobicContact CE1-CD 3.89Å; L112-K114 PolarHBondContact O-N 2.85Å; K114-A127 PolarHBondContact N-O 3.15Å; K114-H129 VanDerWaalsContact CE-CB 3.48Å; K114-H129 WeakPolarHBondContact CE-ND1 3.17Å; K114-H129 HydrophobicContact CG-CB 4.39Å
115F94.3Very high92.8Very high67 Ų6752.8 Ų52.829%0.29428%0.283SS..EExtended strand (participates in β ladder)trans-161.7162.1179.6-165.5-107000110.2C72 A117 V126 A127 F170C72-F115 HydrophobicContact CB-CD2 4.34Å; F115-A117 HydrophobicContact CE1-CB 4.34Å; F115-V126 WeakPolarHBondContact O-CA 3.28Å; F115-A127 PolarHBondContact N-O 3.12Å; F115-A127 PolarHBondContact O-N 2.79Å; F115-F170 HydrophobicContact CE2-CE1 4.12Å; F115-F170 HydrophobicContact CZ-CE1 4.12Å
116F95.6Very high92.8Very high1 Ų150.8 Ų50.80%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-141.2154.7165.773.1-95.3000111.3C72 K74 Y84 C86 F118 L124 F125 V126C72-F116 HydrophobicContact CB-CD1 3.84Å; C72-F116 HydrophobicContact CB-CE1 3.78Å; K74-F116 HydrophobicContact CB-CE2 3.8Å; K74-F116 HydrophobicContact CB-CZ 3.7Å; K74-F116 HydrophobicContact CD-CD2 4.43Å; K74-F116 HydrophobicContact CD-CE2 3.87Å; K74-F116 HydrophobicContact CD-CZ 4.2Å; K74-F116 HydrophobicContact CG-CE2 4.05Å; K74-F116 HydrophobicContact CG-CZ 3.91Å; K74-F116 PolarHBondContact NZ-O 2.83Å; Y84-F116 WeakPolarHBondContact O-CZ 3.17Å; C86-F116 HydrophobicContact CB-CD1 3.84Å; C86-F116 HydrophobicContact CB-CE1 4.4Å; F116-F118 AromaticContact CE2-CE2 3.87Å; F116-F118 HydrophobicContact CE2-CE2 3.87Å; F116-F118 AromaticContact CE2-CZ 3.93Å; F116-F118 HydrophobicContact CE2-CZ 3.93Å; F116-L124 HydrophobicContact CB-CD1 4.43Å; F116-L124 HydrophobicContact CB-CD2 4.43Å; F116-L124 HydrophobicContact CB-CG 4.38Å; F116-L124 HydrophobicContact CD2-CD1 3.49Å; F116-L124 VanDerWaalsContact CD2-CD1 3.49Å; F116-L124 HydrophobicContact CD2-CG 4.3Å; F116-L124 HydrophobicContact CE2-CD1 4.1Å; F116-L124 HydrophobicContact CG-CD1 4.28Å; F116-F125 CarbonylContact C-O 3.5Å; F116-F125 WeakPolarHBondContact CA-O 3.24Å; F116-F125 WeakPolarHBondContact CB-O 3.27Å; F116-V126 HydrophobicContact CB-CG2 4.09Å
117A93.7Very high92.8Very high37 Ų3751.1 Ų51.131%0.30628%0.278SS..EExtended strand (participates in β ladder)trans-138.9145.8174.300000110.4F115 F125F115-A117 HydrophobicContact CE1-CB 4.34Å; A117-F125 PolarHBondContact N-O 2.9Å; A117-F125 PolarHBondContact O-N 2.89Å
118F93.1Very high92.8Very high25 Ų2549 Ų4911%0.1127%0.265CS..EExtended strand (participates in β ladder)trans-81.9140.1167.7-57.8-78.5000108.6K74 N76 F78 Y84 F116 E123 L124 L138K74-F118 HydrophobicContact CB-CE2 4.02Å; N76-F118 HydrophobicContact CB-CE1 4.23Å; N76-F118 HydrophobicContact CB-CZ 4Å; F78-F118 HydrophobicContact CE2-CB 4.46Å; Y84-F118 AromaticContact CD2-CE1 3.8Å; Y84-F118 HydrophobicContact CD2-CE1 3.8Å; Y84-F118 AromaticContact CD2-CZ 3.53Å; Y84-F118 HydrophobicContact CD2-CZ 3.53Å; Y84-F118 HydrophobicContact CE2-CE1 4.02Å; Y84-F118 HydrophobicContact CE2-CZ 4.17Å; Y84-F118 HydrophobicContact CG-CE1 4.07Å; Y84-F118 AromaticContact CG-CZ 3.82Å; Y84-F118 HydrophobicContact CG-CZ 3.82Å; F116-F118 AromaticContact CE2-CE2 3.87Å; F116-F118 HydrophobicContact CE2-CE2 3.87Å; F116-F118 AromaticContact CE2-CZ 3.93Å; F116-F118 HydrophobicContact CE2-CZ 3.93Å; F118-E123 WeakPolarHBondContact CA-O 3.49Å; F118-L124 HydrophobicContact CD1-CD1 3.49Å; F118-L124 VanDerWaalsContact CD1-CD1 3.49Å; F118-L124 HydrophobicContact CE1-CD1 3.44Å; F118-L124 VanDerWaalsContact CE1-CD1 3.44Å; F118-L124 HydrophobicContact CG-CD1 4.18Å; F118-L124 HydrophobicContact CZ-CD1 4.08Å; F118-L138 HydrophobicContact CE1-CD1 4.48Å
119S90.3Very high92.7Very high72 Ų7252.6 Ų52.650%0.50328%0.28SS..EExtended strand (participates in β ladder)trans-108.7-11.9169.5170.60000111.3E123 F125S119-E123 WeakPolarHBondContact CB-OE2 3.42Å; S119-E123 PolarHBondContact N-O 3.05Å; S119-E123 PolarHBondContact OG-OE2 2.89Å; S119-F125 VanDerWaalsContact CB-CE2 3.43Å
120G90.6Very high92.6Very high17 Ų1746.2 Ų46.218%0.17526%0.256CS..EExtended strand (participates in β ladder)trans-176.9-175.1174.600000111.3F78 H122 E123F78-G120 VanDerWaalsContact CD2-C 3.49Å; G120-H122 PolarHBondContact O-N 2.87Å; G120-E123 PolarHBondContact O-N 2.81Å
121A90Very high92.2Very high36 Ų3639.6 Ų39.630%0.29823%0.226SC..THydrogen-bonded Turntrans-57-23.7-177.300000114.6F78F78-A121 HydrophobicContact CB-CB 3.6Å; F78-A121 HydrophobicContact CD1-CB 4Å; F78-A121 HydrophobicContact CD2-CB 4.19Å; F78-A121 VanDerWaalsContact CG-CA 3.42Å; F78-A121 HydrophobicContact CG-CB 3.66Å
122H89.1Confident92Very high96 Ų9639.5 Ų39.544%0.44423%0.227SC..THydrogen-bonded Turntrans-130.511.9-171.9-58.1-47.2000113.5G120 D137 L138 R139G120-H122 PolarHBondContact O-N 2.87Å; H122-D137 CarbonylContact O-C 3.56Å; H122-D137 WeakPolarHBondContact O-CA 3.35Å; H122-L138 PolarHBondContact O-N 3.21Å; H122-R139 HydrophobicContact CB-CG 3.85Å
123E91.4Very high91.8Very high41 Ų4139.3 Ų39.319%0.19223%0.226CC..EExtended strand (participates in β ladder)trans-132.3125.8-172.9-176.2172.3-101.700111F118 S119 G120 F125 R135F118-E123 WeakPolarHBondContact CA-O 3.49Å; S119-E123 WeakPolarHBondContact CB-OE2 3.42Å; S119-E123 PolarHBondContact N-O 3.05Å; S119-E123 PolarHBondContact OG-OE2 2.89Å; G120-E123 PolarHBondContact O-N 2.81Å; E123-F125 HydrophobicContact CG-CD2 4.37Å; E123-F125 HydrophobicContact CG-CE2 3.85Å; E123-F125 HydrophobicContact CG-CZ 4.39Å; E123-F125 WeakPolarHBondContact OE2-CE2 3.42Å; E123-R135 HydrophobicContact CG-CG 4.44Å; E123-R135 IonicContact OE1-CZ 3.78Å; E123-R135 IonicContact OE1-NE 3Å; E123-R135 PolarHBondContact OE1-NE 2.64Å; E123-R135 IonicContact OE1-NH2 2.71Å; E123-R135 PolarHBondContact OE1-NH2 2.54Å
124L93.1Very high91.6Very high0 Ų039.3 Ų39.30%023%0.226CC..EExtended strand (participates in β ladder)trans-120.7134.6177.6-163.982.6000109.6V92 F116 F118 V126 I136 L138V92-L124 HydrophobicContact CG1-CD2 3.75Å; F116-L124 HydrophobicContact CB-CD1 4.43Å; F116-L124 HydrophobicContact CB-CD2 4.43Å; F116-L124 HydrophobicContact CB-CG 4.38Å; F116-L124 HydrophobicContact CD2-CD1 3.49Å; F116-L124 VanDerWaalsContact CD2-CD1 3.49Å; F116-L124 HydrophobicContact CD2-CG 4.3Å; F116-L124 HydrophobicContact CE2-CD1 4.1Å; F116-L124 HydrophobicContact CG-CD1 4.28Å; F118-L124 HydrophobicContact CD1-CD1 3.49Å; F118-L124 VanDerWaalsContact CD1-CD1 3.49Å; F118-L124 HydrophobicContact CE1-CD1 3.44Å; F118-L124 VanDerWaalsContact CE1-CD1 3.44Å; F118-L124 HydrophobicContact CG-CD1 4.18Å; F118-L124 HydrophobicContact CZ-CD1 4.08Å; L124-V126 HydrophobicContact CD2-CG2 3.78Å; L124-V126 HydrophobicContact CG-CG2 4.28Å; L124-I136 HydrophobicContact CB-CB 4.27Å; L124-I136 HydrophobicContact CD2-CD1 4.18Å; L124-I136 PolarHBondContact N-O 2.77Å; L124-I136 PolarHBondContact O-N 2.87Å; L124-L138 HydrophobicContact CB-CD2 4.28Å
125F93.9Very high91.5Very high63 Ų6341.2 Ų41.228%0.27623%0.231SC..EExtended strand (participates in β ladder)trans-108.6133.7166.4-70.8-85.5000109.7F116 A117 S119 E123 I133 V134 R135F116-F125 CarbonylContact C-O 3.5Å; F116-F125 WeakPolarHBondContact CA-O 3.24Å; F116-F125 WeakPolarHBondContact CB-O 3.27Å; A117-F125 PolarHBondContact N-O 2.9Å; A117-F125 PolarHBondContact O-N 2.89Å; S119-F125 VanDerWaalsContact CB-CE2 3.43Å; E123-F125 HydrophobicContact CG-CD2 4.37Å; E123-F125 HydrophobicContact CG-CE2 3.85Å; E123-F125 HydrophobicContact CG-CZ 4.39Å; E123-F125 WeakPolarHBondContact OE2-CE2 3.42Å; F125-I133 HydrophobicContact CB-CG2 4.47Å; F125-I133 HydrophobicContact CD1-CG2 3.83Å; F125-V134 CarbonylContact C-O 3.2Å; F125-V134 VanDerWaalsContact CA-O 3.3Å; F125-V134 WeakPolarHBondContact CA-O 3.3Å; F125-R135 HydrophobicContact CD1-CB 3.98Å; F125-R135 HydrophobicContact CD1-CG 4.26Å; F125-R135 HydrophobicContact CE1-CB 3.67Å; F125-R135 HydrophobicContact CE1-CG 3.67Å; F125-R135 HydrophobicContact CZ-CB 4.42Å; F125-R135 HydrophobicContact CZ-CG 3.91Å
126V94.1Very high91.3Very high0 Ų038.5 Ų38.50%022%0.219CC..EExtended strand (participates in β ladder)trans-121.9125.1179.5-174.90000108.2V92 C113 F115 F116 L124 I133 V134 I136V92-V126 HydrophobicContact CG2-CB 4.48Å; V92-V126 HydrophobicContact CG2-CG1 3.96Å; V92-V126 HydrophobicContact CG2-CG2 3.67Å; C113-V126 HydrophobicContact CB-CG1 4.06Å; C113-V126 VanDerWaalsContact SG-CG1 3.54Å; F115-V126 WeakPolarHBondContact O-CA 3.28Å; F116-V126 HydrophobicContact CB-CG2 4.09Å; L124-V126 HydrophobicContact CD2-CG2 3.78Å; L124-V126 HydrophobicContact CG-CG2 4.28Å; V126-I133 CarbonylContact O-C 3.54Å; V126-I133 WeakPolarHBondContact O-CA 3.41Å; V126-V134 HydrophobicContact CB-CB 4.15Å; V126-V134 PolarHBondContact N-O 2.87Å; V126-V134 PolarHBondContact O-N 2.88Å; V126-I136 HydrophobicContact CG2-CD1 3.66Å
127A93.2Very high91.1Very high29 Ų2940.2 Ų40.224%0.2423%0.229CC..EExtended strand (participates in β ladder)trans-93.8131.7173.600000109.5K114 F115 I133K114-A127 PolarHBondContact N-O 3.15Å; F115-A127 PolarHBondContact N-O 3.12Å; F115-A127 PolarHBondContact O-N 2.79Å; A127-I133 HydrophobicContact CB-CD1 3.64Å
128T92.6Very high90.9Very high8 Ų840.3 Ų40.35%0.04922%0.224CC..EExtended strand (participates in β ladder)trans-101.9176.6-177.977.90000112.4D111 L112 S130 S132 V134D111-T128 WeakPolarHBondContact OD2-CB 3.4Å; D111-T128 PolarHBondContact OD2-OG1 3.27Å; L112-T128 CarbonylContact O-C 3.56Å; L112-T128 VanDerWaalsContact O-CA 3.24Å; L112-T128 WeakPolarHBondContact O-CA 3.27Å; T128-S130 PolarHBondContact OG1-OG 2.9Å; T128-S130 VanDerWaalsContact OG1-OG 3.12Å; T128-S132 PolarHBondContact N-O 3.04Å; T128-S132 WeakPolarHBondContact OG1-CB 3.25Å; T128-S132 PolarHBondContact OG1-N 2.78Å; T128-S132 PolarHBondContact OG1-O 3.12Å; T128-V134 HydrophobicContact CG2-CG2 3.72Å
129H91.2Very high90.6Very high118 Ų11847 Ų4755%0.54625%0.248SC..THydrogen-bonded Turntrans-73.9-34.7179.8-169.620.3000112.4D111 L112 K114 G131D111-H129 WeakPolarHBondContact OD1-CA 3.46Å; D111-H129 WeakPolarHBondContact OD1-CB 3.37Å; D111-H129 PolarHBondContact OD1-N 2.78Å; L112-H129 HydrophobicContact CB-CB 4.06Å; L112-H129 HydrophobicContact CD1-CB 4.48Å; L112-H129 HydrophobicContact CG-CB 4.34Å; L112-H129 PolarHBondContact O-N 3.41Å; K114-H129 VanDerWaalsContact CE-CB 3.48Å; K114-H129 WeakPolarHBondContact CE-ND1 3.17Å; K114-H129 HydrophobicContact CG-CB 4.39Å; H129-G131 PolarHBondContact O-N 2.82Å
130S88.1Confident89.9Confident52 Ų5248.1 Ų48.136%0.36425%0.245SC..THydrogen-bonded Turntrans-68.8-8.3178.465.30000114.2D111 T128 S132D111-S130 PolarHBondContact OD1-N 2.79Å; D111-S130 WeakPolarHBondContact OD2-CB 3.42Å; D111-S130 PolarHBondContact OD2-N 2.9Å; D111-S130 PolarHBondContact OD2-OG 2.93Å; T128-S130 PolarHBondContact OG1-OG 2.9Å; T128-S130 VanDerWaalsContact OG1-OG 3.12Å; S130-S132 PolarHBondContact OG-OG 2.6Å; S130-S132 VanDerWaalsContact OG-OG 3.12Å
131G85Confident88.5Confident22 Ų2257.9 Ų57.923%0.22728%0.277CS..SBendtrans93.89.5-175.300000113.5H129 S150H129-G131 PolarHBondContact O-N 2.82Å; G131-S150 VanDerWaalsContact O-CB 3.28Å; G131-S150 WeakPolarHBondContact O-CB 3.47Å; G131-S150 PolarHBondContact O-N 3.44Å; G131-S150 PolarHBondContact O-OG 3.18Å
132S87.6Confident86.8Confident18 Ų1859.8 Ų59.813%0.12630%0.3CS..EExtended strand (participates in β ladder)trans-78.9145.8176.2-56.50000111.5T128 S130 W148T128-S132 PolarHBondContact N-O 3.04Å; T128-S132 WeakPolarHBondContact OG1-CB 3.25Å; T128-S132 PolarHBondContact OG1-N 2.78Å; T128-S132 PolarHBondContact OG1-O 3.12Å; S130-S132 PolarHBondContact OG-OG 2.6Å; S130-S132 VanDerWaalsContact OG-OG 3.12Å; S132-W148 CarbonylContact C-O 3.53Å; S132-W148 WeakPolarHBondContact CA-O 3.38Å
133I91.1Very high84.8Confident56 Ų5661 Ų6129%0.28731%0.308SS..EExtended strand (participates in β ladder)trans-113.4118.3171.2-58.2-59.4000108.6F125 V126 A127 V147 W148F125-I133 HydrophobicContact CB-CG2 4.47Å; F125-I133 HydrophobicContact CD1-CG2 3.83Å; V126-I133 CarbonylContact O-C 3.54Å; V126-I133 WeakPolarHBondContact O-CA 3.41Å; A127-I133 HydrophobicContact CB-CD1 3.64Å; I133-V147 WeakPolarHBondContact O-CA 3.3Å; I133-W148 HydrophobicContact CB-CB 4.47Å; I133-W148 PolarHBondContact N-O 3.28Å; I133-W148 PolarHBondContact O-N 3.12Å
134V91.4Very high82.9Confident1 Ų166.3 Ų66.31%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-104.3120.4-174.6-178.50000108.7F106 F125 V126 T128 I136 V145 H146 V147F106-V134 HydrophobicContact CD2-CG1 4.11Å; F106-V134 HydrophobicContact CE1-CG1 4.46Å; F106-V134 HydrophobicContact CE2-CG1 3.63Å; F106-V134 HydrophobicContact CZ-CB 4.4Å; F106-V134 HydrophobicContact CZ-CG1 3.8Å; F106-V134 HydrophobicContact CZ-CG2 4.01Å; F125-V134 CarbonylContact C-O 3.2Å; F125-V134 VanDerWaalsContact CA-O 3.3Å; F125-V134 WeakPolarHBondContact CA-O 3.3Å; V126-V134 HydrophobicContact CB-CB 4.15Å; V126-V134 PolarHBondContact N-O 2.87Å; V126-V134 PolarHBondContact O-N 2.88Å; T128-V134 HydrophobicContact CG2-CG2 3.72Å; V134-I136 HydrophobicContact CG1-CD1 4.36Å; V134-I136 HydrophobicContact CG1-CG1 4.12Å; V134-V145 HydrophobicContact CB-CG1 4.41Å; V134-V145 HydrophobicContact CG1-CG1 3.03Å; V134-H146 CarbonylContact C-O 3.56Å; V134-H146 WeakPolarHBondContact CA-O 3.45Å; V134-V147 HydrophobicContact CG2-CG1 4.38Å; V134-V147 HydrophobicContact CG2-CG2 4.19Å
135R91.6Very high81.3Confident107 Ų10769.3 Ų69.340%0.40435%0.345SS..EExtended strand (participates in β ladder)trans-97128174.9-176.9-174.4176.6-158.41.7110.1E123 F125 H146E123-R135 HydrophobicContact CG-CG 4.44Å; E123-R135 IonicContact OE1-CZ 3.78Å; E123-R135 IonicContact OE1-NE 3Å; E123-R135 PolarHBondContact OE1-NE 2.64Å; E123-R135 IonicContact OE1-NH2 2.71Å; E123-R135 PolarHBondContact OE1-NH2 2.54Å; F125-R135 HydrophobicContact CD1-CB 3.98Å; F125-R135 HydrophobicContact CD1-CG 4.26Å; F125-R135 HydrophobicContact CE1-CB 3.67Å; F125-R135 HydrophobicContact CE1-CG 3.67Å; F125-R135 HydrophobicContact CZ-CB 4.42Å; F125-R135 HydrophobicContact CZ-CG 3.91Å; R135-H146 HydrophobicContact CB-CB 4.4Å; R135-H146 PolarHBondContact N-O 2.91Å; R135-H146 PolarHBondContact O-N 2.71Å
136I91.5Very high80.2Confident9 Ų970.9 Ų70.95%0.04635%0.353CS..EExtended strand (participates in β ladder)trans-124.9125.1-178.1-59160.3000109.4V105 F106 L124 V126 V134 L138 V145V105-I136 HydrophobicContact CG1-CG2 4.08Å; F106-I136 HydrophobicContact CB-CD1 3.48Å; F106-I136 VanDerWaalsContact CB-CD1 3.48Å; F106-I136 HydrophobicContact CB-CG1 4.45Å; F106-I136 HydrophobicContact CD1-CD1 4.43Å; F106-I136 HydrophobicContact CD2-CD1 4.2Å; F106-I136 HydrophobicContact CG-CD1 3.8Å; L124-I136 HydrophobicContact CB-CB 4.27Å; L124-I136 HydrophobicContact CD2-CD1 4.18Å; L124-I136 PolarHBondContact N-O 2.77Å; L124-I136 PolarHBondContact O-N 2.87Å; V126-I136 HydrophobicContact CG2-CD1 3.66Å; V134-I136 HydrophobicContact CG1-CD1 4.36Å; V134-I136 HydrophobicContact CG1-CG1 4.12Å; I136-L138 HydrophobicContact CG2-CD2 4.35Å; I136-V145 HydrophobicContact CG1-CG1 4.39Å; I136-V145 HydrophobicContact CG1-CG2 4.36Å
137D90.1Very high78.9Confident38 Ų3875 Ų7520%0.20338%0.378CS..EExtended strand (participates in β ladder)trans-87.8112.9167.5-172.4-31.1000109.8H122 R139 Q140H122-D137 CarbonylContact O-C 3.56Å; H122-D137 WeakPolarHBondContact O-CA 3.35Å; D137-R139 PolarHBondContact O-N 3.18Å; D137-R139 VanDerWaalsContact O-N 3.14Å; D137-R139 VanDerWaalsContact OD1-CB 3.25Å; D137-R139 WeakPolarHBondContact OD1-CB 3.37Å; D137-R139 IonicContact OD1-CZ 2.64Å; D137-R139 PolarHBondContact OD1-N 2.92Å; D137-R139 IonicContact OD1-NE 3.83Å; D137-R139 PolarHBondContact OD1-NE 2.83Å; D137-R139 IonicContact OD1-NH2 3.87Å; D137-R139 IonicContact OD2-CZ 3.7Å; D137-R139 IonicContact OD2-NE 3.46Å; D137-R139 PolarHBondContact OD2-NE 2.98Å; D137-R139 IonicContact OD2-NH2 2.79Å; D137-R139 PolarHBondContact OD2-NH2 3.16Å; D137-Q140 HydrophobicContact CB-CB 4.47Å; D137-Q140 HydrophobicContact CB-CG 4.48Å; D137-Q140 PolarHBondContact O-N 2.92Å; D137-Q140 VanDerWaalsContact O-N 3.13Å
138L89.6Confident77.8Confident38 Ų3881 Ų8120%0.19939%0.394CS..THydrogen-bonded Turntrans-68-11-176.1-60.9176000113.8Y84 V105 F118 H122 L124 I136Y84-L138 HydrophobicContact CE1-CD1 4.36Å; Y84-L138 HydrophobicContact CE1-CD2 3.68Å; V105-L138 HydrophobicContact CG1-CD2 3.98Å; F118-L138 HydrophobicContact CE1-CD1 4.48Å; H122-L138 PolarHBondContact O-N 3.21Å; L124-L138 HydrophobicContact CB-CD2 4.28Å; I136-L138 HydrophobicContact CG2-CD2 4.35Å
139R86.9Confident76.6Confident167 Ų16783.1 Ų83.163%0.6341%0.406SS*.THydrogen-bonded Turntrans-85.5-28.8175.2-58.5167.4-63.9177.64.4111.6H122 D137 R141H122-R139 HydrophobicContact CB-CG 3.85Å; D137-R139 PolarHBondContact O-N 3.18Å; D137-R139 VanDerWaalsContact O-N 3.14Å; D137-R139 VanDerWaalsContact OD1-CB 3.25Å; D137-R139 WeakPolarHBondContact OD1-CB 3.37Å; D137-R139 IonicContact OD1-CZ 2.64Å; D137-R139 PolarHBondContact OD1-N 2.92Å; D137-R139 IonicContact OD1-NE 3.83Å; D137-R139 PolarHBondContact OD1-NE 2.83Å; D137-R139 IonicContact OD1-NH2 3.87Å; D137-R139 IonicContact OD2-CZ 3.7Å; D137-R139 IonicContact OD2-NE 3.46Å; D137-R139 PolarHBondContact OD2-NE 2.98Å; D137-R139 IonicContact OD2-NH2 2.79Å; D137-R139 PolarHBondContact OD2-NH2 3.16Å; R139-R141 PolarHBondContact O-N 2.82Å
140Q75.5Confident75.6Confident94 Ų9479.9 Ų79.944%0.43940%0.396SS..SBendtrans-95.798.3-178.8-62.7-167.17.900109D137 G142D137-Q140 HydrophobicContact CB-CB 4.47Å; D137-Q140 HydrophobicContact CB-CG 4.48Å; D137-Q140 PolarHBondContact O-N 2.92Å; D137-Q140 VanDerWaalsContact O-N 3.13Å; Q140-G142 VanDerWaalsContact C-N 3.29Å; Q140-G142 PolarHBondContact O-N 2.85Å
141R60.5Low74.5Confident223 Ų22385.9 Ų85.984%0.84241%0.411SS*.SBendtrans-66.791.6170.5-78.3-179.1163.7-177.9-9.5109.2R139R139-R141 PolarHBondContact O-N 2.82Å
142G54.5Low73.7Confident76 Ų7691.7 Ų91.778%0.78444%0.437SS*.SBendtrans82.822162.300000117.7Q140Q140-G142 VanDerWaalsContact C-N 3.29Å; Q140-G142 PolarHBondContact O-N 2.85Å
143M47.9Very low72.8Confident122 Ų12296 Ų9660%0.60146%0.458SS*.SBendtrans-93.3-41.4179.4-84.5-170.776.600115
144Y50.4Low72Confident152 Ų15299.9 Ų99.960%0.59649%0.49SS*.  trans-149.6131.6176.4-58.9-75.5000111.4
145V60Low71.1Confident62 Ų62102.3 Ų102.338%0.37652%0.515SS..EExtended strand (participates in β ladder)trans-120123.1170.9173.60000106.4F106 V134 I136 V147F106-V145 HydrophobicContact CD2-CG1 4.22Å; F106-V145 HydrophobicContact CD2-CG2 4.33Å; F106-V145 HydrophobicContact CE2-CG1 4Å; V134-V145 HydrophobicContact CB-CG1 4.41Å; V134-V145 HydrophobicContact CG1-CG1 3.03Å; I136-V145 HydrophobicContact CG1-CG1 4.39Å; I136-V145 HydrophobicContact CG1-CG2 4.36Å; V145-V147 HydrophobicContact CG1-CG2 4.49Å
146H72Confident70.4Confident97 Ų97100.9 Ų100.945%0.44953%0.526SS..EExtended strand (participates in β ladder)trans-98.1119.8-179.8-63.6-76.3000109.4V134 R135V134-H146 CarbonylContact C-O 3.56Å; V134-H146 WeakPolarHBondContact CA-O 3.45Å; R135-H146 HydrophobicContact CB-CB 4.4Å; R135-H146 PolarHBondContact N-O 2.91Å; R135-H146 PolarHBondContact O-N 2.71Å
147V65.2Low69.9Low87 Ų87107.7 Ų107.753%0.52756%0.562SS.*EExtended strand (participates in β ladder)trans-101.1124.7177.2-171.80000108.6I133 V134 V145I133-V147 WeakPolarHBondContact O-CA 3.3Å; V134-V147 HydrophobicContact CG2-CG1 4.38Å; V134-V147 HydrophobicContact CG2-CG2 4.19Å; V145-V147 HydrophobicContact CG1-CG2 4.49Å
148W71.6Confident69.4Low153 Ų153108 Ų10858%0.5857%0.566SS**EExtended strand (participates in β ladder)trans-111.8122.8176.3-60.481.5000108S132 I133 S150S132-W148 CarbonylContact C-O 3.53Å; S132-W148 WeakPolarHBondContact CA-O 3.38Å; I133-W148 HydrophobicContact CB-CB 4.47Å; I133-W148 PolarHBondContact N-O 3.28Å; I133-W148 PolarHBondContact O-N 3.12Å; W148-S150 PolarHBondContact O-N 2.78Å
149D66Low69.1Low54 Ų54113.9 Ų113.929%0.28959%0.593SS.*EExtended strand (participates in β ladder)trans-77.1110.8172.4-169.3-21000108.7R151 N152D149-R151 PolarHBondContact O-N 3.13Å; D149-R151 VanDerWaalsContact O-N 3.13Å; D149-R151 WeakPolarHBondContact OD1-CA 3.33Å; D149-R151 WeakPolarHBondContact OD1-CB 3.11Å; D149-R151 VanDerWaalsContact OD1-CG 3.28Å; D149-R151 WeakPolarHBondContact OD1-CG 3.4Å; D149-R151 IonicContact OD1-CZ 3.08Å; D149-R151 PolarHBondContact OD1-N 3.48Å; D149-R151 IonicContact OD1-NE 2.68Å; D149-R151 PolarHBondContact OD1-NE 3.44Å; D149-R151 IonicContact OD1-NH2 3.54Å; D149-R151 IonicContact OD2-CZ 3.39Å; D149-R151 IonicContact OD2-NE 2.69Å; D149-R151 PolarHBondContact OD2-NE 2.83Å; D149-R151 VanDerWaalsContact OD2-NE 3.12Å; D149-R151 IonicContact OD2-NH2 3.31Å; D149-R151 PolarHBondContact OD2-NH2 3.29Å; D149-N152 HydrophobicContact CB-CB 4.23Å; D149-N152 PolarHBondContact O-N 2.96Å
150S70.2Confident69.2Low50 Ų50107.7 Ų107.735%0.3557%0.572SS.*G310 helixtrans-61.8-20.5178.666.20000112.8G131 W148 N152 L153G131-S150 VanDerWaalsContact O-CB 3.28Å; G131-S150 WeakPolarHBondContact O-CB 3.47Å; G131-S150 PolarHBondContact O-N 3.44Å; G131-S150 PolarHBondContact O-OG 3.18Å; W148-S150 PolarHBondContact O-N 2.78Å; S150-N152 VanDerWaalsContact C-N 3.28Å; S150-N152 PolarHBondContact O-N 2.93Å; S150-L153 WeakPolarHBondContact O-CB 3.31Å; S150-L153 WeakPolarHBondContact O-CG 3.34Å; S150-L153 PolarHBondContact O-N 2.95Å
151R65.3Low69.8Low178 Ų178106.5 Ų106.567%0.67257%0.572SS**G310 helixtrans-74.9-19.1176.3-53.2170-66.7-172.32.3112.7D149D149-R151 PolarHBondContact O-N 3.13Å; D149-R151 VanDerWaalsContact O-N 3.13Å; D149-R151 WeakPolarHBondContact OD1-CA 3.33Å; D149-R151 WeakPolarHBondContact OD1-CB 3.11Å; D149-R151 VanDerWaalsContact OD1-CG 3.28Å; D149-R151 WeakPolarHBondContact OD1-CG 3.4Å; D149-R151 IonicContact OD1-CZ 3.08Å; D149-R151 PolarHBondContact OD1-N 3.48Å; D149-R151 IonicContact OD1-NE 2.68Å; D149-R151 PolarHBondContact OD1-NE 3.44Å; D149-R151 IonicContact OD1-NH2 3.54Å; D149-R151 IonicContact OD2-CZ 3.39Å; D149-R151 IonicContact OD2-NE 2.69Å; D149-R151 PolarHBondContact OD2-NE 2.83Å; D149-R151 VanDerWaalsContact OD2-NE 3.12Å; D149-R151 IonicContact OD2-NH2 3.31Å; D149-R151 PolarHBondContact OD2-NH2 3.29Å
152N67.7Low71.2Confident144 Ų14497.4 Ų97.477%0.7754%0.539SS*.G310 helixtrans-102.210.9177.4-153.111.4000112.4D149 S150D149-N152 HydrophobicContact CB-CB 4.23Å; D149-N152 PolarHBondContact O-N 2.96Å; S150-N152 VanDerWaalsContact C-N 3.28Å; S150-N152 PolarHBondContact O-N 2.93Å
153L69.7Low72.9Confident108 Ų10897.6 Ų97.657%0.56554%0.541SS*.SBendtrans-66.5144.2158.1-62170.3000107.5S150 G155S150-L153 WeakPolarHBondContact O-CB 3.31Å; S150-L153 WeakPolarHBondContact O-CG 3.34Å; S150-L153 PolarHBondContact O-N 2.95Å; L153-G155 PolarHBondContact O-N 2.78Å
154S75.1Confident75Confident138 Ų13893.2 Ų93.297%0.96553%0.527SS*.SBendtrans-65.519-170.556.40000116
155G71.2Confident76.8Confident51 Ų5192.7 Ų92.753%0.52653%0.534SS..SBendtrans118.3160.4-170.400000111.8L153L153-G155 PolarHBondContact O-N 2.78Å
156A77.4Confident78.3Confident77 Ų7793.2 Ų93.264%0.63655%0.545SS*.  trans-67.4141170.900000110.2C158A156-C158 PolarHBondContact O-N 2.93Å
157L80Confident79.1Confident153 Ų15391 Ų9180%0.80154%0.54SS*.SBendtrans-65.5-31.7174-66.6173.9000112L196L157-L196 HydrophobicContact CB-CD1 3.99Å; L157-L196 HydrophobicContact CD1-CD1 4.22Å
158C80.9Confident80.3Confident44 Ų4488.2 Ų88.230%0.29752%0.522SS..  trans-158.6156.3175.263.70000110.4A156 L196A156-C158 PolarHBondContact O-N 2.93Å; C158-L196 HydrophobicContact CB-CB 4.46Å; C158-L196 HydrophobicContact CB-CD2 4.49Å
159E83.8Confident81.3Confident162 Ų16283.8 Ų83.876%0.75752%0.519SS*.  trans-113.6127.9172.8-64.9-173.7166.200110.4P161E159-P161 WeakPolarHBondContact O-CD 3.29Å
160L88.4Confident82.7Confident37 Ų3783.5 Ų83.519%0.19452%0.515CS..  trans-118.384.2-179-59.5174.5000109.5L179 W191 V193 M200L160-L179 HydrophobicContact CD1-CD2 3.63Å; L160-W191 HydrophobicContact CB-CD2 4.14Å; L160-W191 HydrophobicContact CB-CE3 4.43Å; L160-W191 HydrophobicContact CB-CH2 4.46Å; L160-W191 HydrophobicContact CB-CZ2 4.18Å; L160-W191 HydrophobicContact CD1-CB 4.08Å; L160-W191 HydrophobicContact CD1-CD2 4.18Å; L160-W191 HydrophobicContact CD1-CG 3.83Å; L160-W191 HydrophobicContact CD2-CD2 4.15Å; L160-W191 HydrophobicContact CD2-CE3 3.93Å; L160-W191 HydrophobicContact CD2-CG 4.46Å; L160-W191 HydrophobicContact CD2-CZ3 4.41Å; L160-W191 HydrophobicContact CG-CD2 4.39Å; L160-V193 HydrophobicContact CD1-CG1 4.11Å; L160-M200 HydrophobicContact CD2-CB 3.71Å; L160-M200 HydrophobicContact CD2-CG 4.15Å
161P88.6Confident83.8Confident68 Ų6887.5 Ų87.544%0.44253%0.526SS..  trans-60.3141.8-177.418.7-37.6000115.1E159 W191 F201E159-P161 WeakPolarHBondContact O-CD 3.29Å; P161-W191 VanDerWaalsContact O-CH2 3.28Å; P161-W191 WeakPolarHBondContact O-CH2 3.14Å; P161-F201 HydrophobicContact CB-CE1 4.43Å; P161-F201 HydrophobicContact CG-CD1 3.94Å; P161-F201 HydrophobicContact CG-CE1 2.97Å; P161-F201 HydrophobicContact CG-CE2 4.29Å; P161-F201 HydrophobicContact CG-CZ 3.17Å
162H89.9Confident85.1Confident33 Ų3379.2 Ų79.215%0.15350%0.496CS..  trans-111.9159.8159-90.2-81.6000109.2G164 T181 S183 D185 I189H162-G164 PolarHBondContact O-N 2.75Å; H162-T181 VanDerWaalsContact NE2-CB 3.33Å; H162-T181 WeakPolarHBondContact NE2-CB 3.14Å; H162-T181 PolarHBondContact NE2-OG1 2.86Å; H162-S183 VanDerWaalsContact CG-CB 3.42Å; H162-S183 WeakPolarHBondContact ND1-CB 3.44Å; H162-D185 VanDerWaalsContact CB-OD2 3.31Å; H162-D185 WeakPolarHBondContact CB-OD2 3.42Å; H162-D185 IonicContact CG-OD2 2.67Å; H162-D185 IonicContact ND1-OD1 3.08Å; H162-D185 IonicContact ND1-OD2 3.37Å; H162-D185 PolarHBondContact ND1-OD2 2.88Å; H162-I189 WeakPolarHBondContact CE1-CD1 3.34Å
163G90.3Very high86.2Confident79 Ų7976.3 Ų76.381%0.81449%0.485SS*.SBendtrans-76.82.817200000113.7D185G163-D185 PolarHBondContact N-OD2 3.36Å
164G90.6Very high87.3Confident30 Ų3074.7 Ų74.731%0.30948%0.479SS..SBendtrans-156.9-169.5-173.700000112.5H162 A166 S183H162-G164 PolarHBondContact O-N 2.75Å; G164-A166 PolarHBondContact O-N 2.77Å; G164-S183 VanDerWaalsContact C-OG 3.3Å; G164-S183 PolarHBondContact O-OG 2.71Å
165L89.1Confident88.1Confident142 Ų14271 Ų7174%0.74345%0.451SS*.  trans-71.4112.5-179.3-66.1173.4000110.3S167 S183 S184L165-S167 PolarHBondContact O-N 2.85Å; L165-S183 WeakPolarHBondContact O-CA 3.27Å; L165-S183 PolarHBondContact O-OG 2.94Å; L165-S184 PolarHBondContact N-OG 2.77Å; L165-S184 PolarHBondContact O-N 2.84Å; L165-S184 VanDerWaalsContact O-N 3.08Å
166A90.8Very high89Confident73 Ų7370.1 Ų70.160%0.60344%0.442SS*.EExtended strand (participates in β ladder)trans-60.1131167.800000110G164G164-A166 PolarHBondContact O-N 2.77Å
167S89.2Confident89.6Confident51 Ų5169.9 Ų69.936%0.35743%0.429SS..EExtended strand (participates in β ladder)trans-113.5-31.2-173.155.10000113.1L165 S182L165-S167 PolarHBondContact O-N 2.85Å; S167-S182 PolarHBondContact N-O 3.31Å; S167-S182 PolarHBondContact OG-O 3.43Å; S167-S182 PolarHBondContact OG-OG 2.75Å
168N90.5Very high90.2Very high27 Ų2764.5 Ų64.514%0.14440%0.398CS..EExtended strand (participates in β ladder)trans-146.6154.4174.5-51.4-87.4000110F170 T181 S182 F220N168-F170 HydrophobicContact CB-CD2 4.23Å; N168-F170 HydrophobicContact CB-CE2 3.55Å; N168-F170 HydrophobicContact CB-CZ 3.99Å; N168-T181 VanDerWaalsContact O-CA 3.28Å; N168-T181 WeakPolarHBondContact O-CA 3.12Å; N168-S182 PolarHBondContact ND2-OG 2.83Å; N168-S182 PolarHBondContact O-N 2.75Å; N168-S182 VanDerWaalsContact O-N 3.15Å; N168-F220 PolarHBondContact ND2-O 2.88Å
169A93.4Very high90.7Very high61 Ų6163.3 Ų63.350%0.50439%0.389SS..EExtended strand (participates in β ladder)trans-146.3123.5171.700000108.7L179 L180 T181A169-L179 HydrophobicContact CB-CD1 4.23Å; A169-L180 CarbonylContact C-O 3.6Å; A169-L180 VanDerWaalsContact CA-O 3.3Å; A169-L180 WeakPolarHBondContact CA-O 3.32Å; A169-T181 HydrophobicContact CB-CG2 4.01Å
170F93.4Very high91.2Very high48 Ų4855.6 Ų55.621%0.21135%0.353CS..EExtended strand (participates in β ladder)trans-133.3122.8-177.9-59.6-65.7000110.6F115 N168 L180 P222 W224F115-F170 HydrophobicContact CE2-CE1 4.12Å; F115-F170 HydrophobicContact CZ-CE1 4.12Å; N168-F170 HydrophobicContact CB-CD2 4.23Å; N168-F170 HydrophobicContact CB-CE2 3.55Å; N168-F170 HydrophobicContact CB-CZ 3.99Å; F170-L180 PolarHBondContact N-O 2.93Å; F170-L180 PolarHBondContact O-N 2.78Å; F170-P222 VanDerWaalsContact CD2-O 3.24Å; F170-P222 WeakPolarHBondContact CD2-O 3.5Å; F170-P222 WeakPolarHBondContact CE2-O 3.25Å; F170-W224 PolarHBondContact O-NE1 2.92Å
171F93.5Very high91.5Very high134 Ų13454.2 Ų54.259%0.58835%0.346SS*.EExtended strand (participates in β ladder)trans-67.3148.3170.4-74-81.3000111G176 R178 L179 V193 W224F171-G176 VanDerWaalsContact CD1-O 3.3Å; F171-G176 WeakPolarHBondContact CD1-O 3.32Å; F171-R178 CarbonylContact C-O 3.58Å; F171-R178 VanDerWaalsContact CA-O 3.31Å; F171-R178 WeakPolarHBondContact CA-O 3.36Å; F171-L179 HydrophobicContact CD1-CD1 3.97Å; F171-L179 HydrophobicContact CD2-CD1 3.97Å; F171-L179 HydrophobicContact CE1-CD1 4.02Å; F171-L179 HydrophobicContact CE2-CD1 4Å; F171-L179 HydrophobicContact CG-CD1 3.96Å; F171-L179 HydrophobicContact CZ-CD1 4.03Å; F171-V193 HydrophobicContact CD1-CG2 4.37Å; F171-V193 HydrophobicContact CE1-CG2 4.02Å; F171-W224 PolarHBondContact O-NE1 3.11Å
172S93.5Very high91.7Very high4 Ų451 Ų513%0.02833%0.326CS..  trans-56.6125.6171.5164.60000109.2V174 T175 G176 R178 E229S172-V174 PolarHBondContact O-N 2.85Å; S172-V174 PolarHBondContact OG-N 2.96Å; S172-T175 PolarHBondContact OG-N 3.25Å; S172-G176 WeakPolarHBondContact O-CA 3.41Å; S172-G176 PolarHBondContact O-N 3.44Å; S172-R178 PolarHBondContact N-O 3.15Å; S172-E229 VanDerWaalsContact OG-CB 3.3Å; S172-E229 WeakPolarHBondContact OG-CB 3.25Å; S172-E229 PolarHBondContact OG-OE2 3.18Å
173P90.6Very high91.9Very high83 Ų8349.5 Ų49.554%0.53932%0.318SS..THydrogen-bonded Turntrans-72.7-8.217632-35.9000112.5W224P173-W224 HydrophobicContact CG-CB 4.05Å
174V92Very high91.9Very high73 Ų7348.4 Ų48.444%0.44230%0.298SS..THydrogen-bonded Turntrans-88.5-50-177-173.70000110.8S172 E229S172-V174 PolarHBondContact O-N 2.85Å; S172-V174 PolarHBondContact OG-N 2.96Å; V174-E229 HydrophobicContact CB-CB 4.37Å; V174-E229 HydrophobicContact CG2-CB 4.29Å
175T92.4Very high92Very high62 Ų6248.9 Ų48.938%0.3829%0.294SS..THydrogen-bonded Turntrans-122.2-20.9-173.263.50000113.8S172 N177 E229S172-T175 PolarHBondContact OG-N 3.25Å; T175-N177 PolarHBondContact O-N 3.24Å; T175-N177 PolarHBondContact OG1-N 2.92Å; T175-N177 VanDerWaalsContact OG1-N 3.09Å; T175-E229 WeakPolarHBondContact CB-OE2 3.08Å; T175-E229 WeakPolarHBondContact CG2-OE2 3.38Å; T175-E229 PolarHBondContact OG1-OE2 2.99Å
176G90.8Very high92.1Very high32 Ų3244 Ų4433%0.3327%0.269SS..SBendtrans69.8-4.2-167.100000114.7F171 S172F171-G176 VanDerWaalsContact CD1-O 3.3Å; F171-G176 WeakPolarHBondContact CD1-O 3.32Å; S172-G176 WeakPolarHBondContact O-CA 3.41Å; S172-G176 PolarHBondContact O-N 3.44Å
177N89.9Confident92.1Very high71 Ų7143 Ų4338%0.3825%0.252SS..  trans-921.9-173.3-66.9-23000113.8T175 V193T175-N177 PolarHBondContact O-N 3.24Å; T175-N177 PolarHBondContact OG1-N 2.92Å; T175-N177 VanDerWaalsContact OG1-N 3.09Å; N177-V193 WeakPolarHBondContact O-CG2 3.29Å; N177-V193 PolarHBondContact O-N 2.64Å
178R91.8Very high92.3Very high40 Ų4040.5 Ų40.515%0.15124%0.235CC..EExtended strand (participates in β ladder)trans-124.7143.5174.5-54.9-169.1-175.6-70.30.1110.7F171 S172 V190 W191 D192 W224 E229 M250F171-R178 CarbonylContact C-O 3.58Å; F171-R178 VanDerWaalsContact CA-O 3.31Å; F171-R178 WeakPolarHBondContact CA-O 3.36Å; S172-R178 PolarHBondContact N-O 3.15Å; R178-V190 HydrophobicContact CB-CG1 4.1Å; R178-W191 CarbonylContact C-O 3.57Å; R178-W191 VanDerWaalsContact CA-O 3.23Å; R178-W191 WeakPolarHBondContact CA-O 3.43Å; R178-D192 IonicContact CZ-OD2 3.63Å; R178-D192 IonicContact NH1-OD2 2.79Å; R178-D192 PolarHBondContact NH1-OD2 2.86Å; R178-D192 IonicContact NH2-OD2 2.85Å; R178-W224 HydrophobicContact CB-CH2 4.13Å; R178-W224 HydrophobicContact CB-CZ2 4.05Å; R178-E229 IonicContact CZ-OE1 2.71Å; R178-E229 IonicContact NE-OE1 3.73Å; R178-E229 PolarHBondContact NE-OE1 2.59Å; R178-E229 IonicContact NH2-OE1 3.74Å; R178-M250 VanDerWaalsContact NH1-CG 3.32Å
179L93.2Very high92.3Very high19 Ų1939.5 Ų39.510%0.09923%0.23CC..EExtended strand (participates in β ladder)trans-118.5121.5176.1-172.873.4000109.9L160 A169 F171 T181 V190 W191 V193L160-L179 HydrophobicContact CD1-CD2 3.63Å; A169-L179 HydrophobicContact CB-CD1 4.23Å; F171-L179 HydrophobicContact CD1-CD1 3.97Å; F171-L179 HydrophobicContact CD2-CD1 3.97Å; F171-L179 HydrophobicContact CE1-CD1 4.02Å; F171-L179 HydrophobicContact CE2-CD1 4Å; F171-L179 HydrophobicContact CG-CD1 3.96Å; F171-L179 HydrophobicContact CZ-CD1 4.03Å; L179-T181 HydrophobicContact CD2-CG2 3.76Å; L179-T181 HydrophobicContact CG-CG2 3.88Å; L179-V190 CarbonylContact O-C 3.58Å; L179-V190 VanDerWaalsContact O-CA 3.32Å; L179-V190 WeakPolarHBondContact O-CA 3.05Å; L179-W191 HydrophobicContact CB-CB 4.27Å; L179-W191 PolarHBondContact N-O 2.98Å; L179-W191 VanDerWaalsContact O-CD1 3.28Å; L179-W191 PolarHBondContact O-N 2.87Å; L179-V193 HydrophobicContact CB-CG1 4.2Å
180L93.9Very high92.3Very high0 Ų036.7 Ų36.70%021%0.206CC..EExtended strand (participates in β ladder)trans-95.3119.6173.4176.865.3000109.6A169 F170 I188 I189 V190 P222 W224 F232A169-L180 CarbonylContact C-O 3.6Å; A169-L180 VanDerWaalsContact CA-O 3.3Å; A169-L180 WeakPolarHBondContact CA-O 3.32Å; F170-L180 PolarHBondContact N-O 2.93Å; F170-L180 PolarHBondContact O-N 2.78Å; L180-I188 HydrophobicContact CD1-CG2 3.42Å; L180-I188 VanDerWaalsContact CD1-CG2 3.42Å; L180-I188 HydrophobicContact CG-CG2 4.46Å; L180-I189 CarbonylContact C-O 3.57Å; L180-I189 WeakPolarHBondContact CA-O 3.25Å; L180-V190 HydrophobicContact CB-CG2 4.44Å; L180-V190 HydrophobicContact CD1-CG2 3.59Å; L180-P222 HydrophobicContact CD1-CB 4.36Å; L180-P222 HydrophobicContact CD2-CB 3.56Å; L180-P222 HydrophobicContact CG-CB 3.94Å; L180-W224 HydrophobicContact CB-CD2 4.22Å; L180-W224 HydrophobicContact CB-CH2 4.24Å; L180-W224 HydrophobicContact CB-CZ2 3.41Å; L180-W224 VanDerWaalsContact CB-CZ2 3.41Å; L180-W224 VanDerWaalsContact CB-NE1 3.33Å; L180-W224 HydrophobicContact CD2-CD2 4.02Å; L180-W224 HydrophobicContact CD2-CG 4.21Å; L180-W224 HydrophobicContact CG-CZ2 4.47Å; L180-F232 HydrophobicContact CD1-CD1 3.86Å; L180-F232 HydrophobicContact CD1-CD2 4.35Å; L180-F232 HydrophobicContact CD1-CE1 3.94Å; L180-F232 HydrophobicContact CD1-CE2 4.44Å; L180-F232 HydrophobicContact CD1-CG 4.07Å; L180-F232 HydrophobicContact CD1-CZ 4.23Å; L180-F232 HydrophobicContact CD2-CB 3.76Å; L180-F232 HydrophobicContact CD2-CD1 4.39Å; L180-F232 HydrophobicContact CD2-CD2 4.33Å; L180-F232 HydrophobicContact CD2-CG 3.93Å
181T94.3Very high92.1Very high9 Ų934.5 Ų34.56%0.05520%0.197CC..EExtended strand (participates in β ladder)trans-122.7151-18061.20000111.3H162 N168 A169 L179 I188 I189 W191H162-T181 VanDerWaalsContact NE2-CB 3.33Å; H162-T181 WeakPolarHBondContact NE2-CB 3.14Å; H162-T181 PolarHBondContact NE2-OG1 2.86Å; N168-T181 VanDerWaalsContact O-CA 3.28Å; N168-T181 WeakPolarHBondContact O-CA 3.12Å; A169-T181 HydrophobicContact CB-CG2 4.01Å; L179-T181 HydrophobicContact CD2-CG2 3.76Å; L179-T181 HydrophobicContact CG-CG2 3.88Å; T181-I188 CarbonylContact O-C 3.56Å; T181-I188 VanDerWaalsContact O-CA 3.27Å; T181-I188 WeakPolarHBondContact O-CA 3.37Å; T181-I188 WeakPolarHBondContact O-CG2 3.33Å; T181-I189 PolarHBondContact N-O 2.8Å; T181-I189 PolarHBondContact O-N 3.33Å; T181-I189 PolarHBondContact OG1-O 3.47Å; T181-W191 PolarHBondContact OG1-NE1 3.12Å
182S93Very high91.9Very high1 Ų129.8 Ų29.81%0.00718%0.178CC..EExtended strand (participates in β ladder)trans-130.6144.2171.659.70000111.2S167 N168S167-S182 PolarHBondContact N-O 3.31Å; S167-S182 PolarHBondContact OG-O 3.43Å; S167-S182 PolarHBondContact OG-OG 2.75Å; N168-S182 PolarHBondContact ND2-OG 2.83Å; N168-S182 PolarHBondContact O-N 2.75Å; N168-S182 VanDerWaalsContact O-N 3.15Å
183S92.8Very high91.6Very high0 Ų030.4 Ų30.40%018%0.181CC..EExtended strand (participates in β ladder)trans-139.1163.9-1761660000112.8H162 G164 L165 D185 D186 L187 N211H162-S183 VanDerWaalsContact CG-CB 3.42Å; H162-S183 WeakPolarHBondContact ND1-CB 3.44Å; G164-S183 VanDerWaalsContact C-OG 3.3Å; G164-S183 PolarHBondContact O-OG 2.71Å; L165-S183 WeakPolarHBondContact O-CA 3.27Å; L165-S183 PolarHBondContact O-OG 2.94Å; S183-D185 WeakPolarHBondContact CB-OD1 3.48Å; S183-D185 PolarHBondContact O-N 2.93Å; S183-D185 PolarHBondContact OG-N 2.96Å; S183-D185 PolarHBondContact OG-OD1 3.29Å; S183-D185 VanDerWaalsContact OG-OD1 3.04Å; S183-D185 PolarHBondContact OG-OD2 2.76Å; S183-D186 PolarHBondContact O-N 3.49Å; S183-L187 PolarHBondContact N-O 2.86Å; S183-L187 VanDerWaalsContact N-O 3.12Å; S183-N211 WeakPolarHBondContact O-CB 3.33Å; S183-N211 PolarHBondContact O-ND2 2.81Å
184S91.2Very high91.4Very high56 Ų5630.8 Ų30.839%0.39218%0.182SC..THydrogen-bonded Turntrans-72.5-0.9172.669.80000114.1L165 D186L165-S184 PolarHBondContact N-OG 2.77Å; L165-S184 PolarHBondContact O-N 2.84Å; L165-S184 VanDerWaalsContact O-N 3.08Å; S184-D186 PolarHBondContact O-N 3.35Å
185D91.8Very high90.8Very high41 Ų4130.3 Ų30.322%0.21918%0.182CC..THydrogen-bonded Turntrans-80.810.8169.862.37.1000113.1H162 G163 S183 L187H162-D185 VanDerWaalsContact CB-OD2 3.31Å; H162-D185 WeakPolarHBondContact CB-OD2 3.42Å; H162-D185 IonicContact CG-OD2 2.67Å; H162-D185 IonicContact ND1-OD1 3.08Å; H162-D185 IonicContact ND1-OD2 3.37Å; H162-D185 PolarHBondContact ND1-OD2 2.88Å; G163-D185 PolarHBondContact N-OD2 3.36Å; S183-D185 WeakPolarHBondContact CB-OD1 3.48Å; S183-D185 PolarHBondContact O-N 2.93Å; S183-D185 PolarHBondContact OG-N 2.96Å; S183-D185 PolarHBondContact OG-OD1 3.29Å; S183-D185 VanDerWaalsContact OG-OD1 3.04Å; S183-D185 PolarHBondContact OG-OD2 2.76Å; D185-L187 PolarHBondContact O-N 2.75Å; D185-L187 WeakPolarHBondContact OD1-CB 3.4Å; D185-L187 PolarHBondContact OD1-N 3.42Å
186D91.7Very high90.2Very high40 Ų4030.9 Ų30.921%0.21418%0.182CC..SBendtrans60.425.9-176.5-82.63.1000114.3S183 S184 P208 H209 N211 H212S183-D186 PolarHBondContact O-N 3.49Å; S184-D186 PolarHBondContact O-N 3.35Å; D186-P208 CarbonylContact O-C 3.58Å; D186-P208 WeakPolarHBondContact O-CA 3.37Å; D186-H209 CarbonylContact C-O 3.53Å; D186-H209 WeakPolarHBondContact CA-O 3.45Å; D186-H209 WeakPolarHBondContact CB-O 3.41Å; D186-H209 PolarHBondContact O-N 2.88Å; D186-H209 VanDerWaalsContact O-O 3.1Å; D186-N211 WeakPolarHBondContact OD1-CA 3.37Å; D186-N211 WeakPolarHBondContact OD1-CB 3.27Å; D186-N211 PolarHBondContact OD1-N 3.45Å; D186-H212 IonicContact OD1-CD2 3.03Å; D186-H212 PolarHBondContact OD1-CD2 2.86Å; D186-H212 IonicContact OD1-NE2 3.11Å; D186-H212 IonicContact OD2-CD2 3.12Å; D186-H212 PolarHBondContact OD2-CD2 2.8Å; D186-H212 IonicContact OD2-NE2 3.51Å; D186-H212 PolarHBondContact OD2-NE2 2.91Å; D186-H212 VanDerWaalsContact OD2-NE2 3.11Å
187L91Very high89.4Confident50 Ų5038.1 Ų38.126%0.26221%0.205SC..EExtended strand (participates in β ladder)trans-111.5140.7170.9-61175.6000111.9S183 D185 I189 F206S183-L187 PolarHBondContact N-O 2.86Å; S183-L187 VanDerWaalsContact N-O 3.12Å; D185-L187 PolarHBondContact O-N 2.75Å; D185-L187 WeakPolarHBondContact OD1-CB 3.4Å; D185-L187 PolarHBondContact OD1-N 3.42Å; L187-I189 HydrophobicContact CB-CD1 4.27Å; L187-I189 HydrophobicContact CB-CG1 4.02Å; L187-I189 HydrophobicContact CD1-CD1 4.28Å; L187-F206 HydrophobicContact CD2-CD2 3.89Å; L187-F206 HydrophobicContact CD2-CE2 4.42Å
188I92.6Very high88.5Confident0 Ų038.1 Ų38.10%022%0.222CC..EExtended strand (participates in β ladder)trans-111.7123.8158.5-61172.1000106.4L180 T181 F206 T207 H209 P222 F232 T234L180-I188 HydrophobicContact CD1-CG2 3.42Å; L180-I188 VanDerWaalsContact CD1-CG2 3.42Å; L180-I188 HydrophobicContact CG-CG2 4.46Å; T181-I188 CarbonylContact O-C 3.56Å; T181-I188 VanDerWaalsContact O-CA 3.27Å; T181-I188 WeakPolarHBondContact O-CA 3.37Å; T181-I188 WeakPolarHBondContact O-CG2 3.33Å; I188-F206 CarbonylContact O-C 3.49Å; I188-F206 VanDerWaalsContact O-CA 3.31Å; I188-F206 WeakPolarHBondContact O-CA 3.42Å; I188-T207 HydrophobicContact CB-CG2 3.86Å; I188-T207 PolarHBondContact N-O 3.04Å; I188-T207 PolarHBondContact O-N 3.15Å; I188-H209 HydrophobicContact CD1-CB 3.8Å; I188-H209 HydrophobicContact CG1-CB 4.03Å; I188-P222 HydrophobicContact CD1-CG 4.05Å; I188-P222 HydrophobicContact CG1-CG 4.36Å; I188-P222 HydrophobicContact CG2-CG 4.33Å; I188-F232 HydrophobicContact CB-CE2 4.5Å; I188-F232 HydrophobicContact CB-CZ 4.29Å; I188-F232 HydrophobicContact CD1-CE2 4.05Å; I188-F232 HydrophobicContact CG2-CE1 4.32Å; I188-F232 HydrophobicContact CG2-CE2 3.73Å; I188-F232 HydrophobicContact CG2-CZ 3.55Å; I188-T234 HydrophobicContact CD1-CG2 3.68Å
189I91.4Very high87.6Confident5 Ų541 Ų413%0.02624%0.24CC..EExtended strand (participates in β ladder)trans-120137.8-173.9-55179.5000108.9H162 L180 T181 L187 W191 K204 A205 F206H162-I189 WeakPolarHBondContact CE1-CD1 3.34Å; L180-I189 CarbonylContact C-O 3.57Å; L180-I189 WeakPolarHBondContact CA-O 3.25Å; T181-I189 PolarHBondContact N-O 2.8Å; T181-I189 PolarHBondContact O-N 3.33Å; T181-I189 PolarHBondContact OG1-O 3.47Å; L187-I189 HydrophobicContact CB-CD1 4.27Å; L187-I189 HydrophobicContact CB-CG1 4.02Å; L187-I189 HydrophobicContact CD1-CD1 4.28Å; I189-W191 HydrophobicContact CB-CZ2 3.95Å; I189-W191 HydrophobicContact CD1-CH2 3.98Å; I189-W191 HydrophobicContact CD1-CZ2 3.59Å; I189-W191 HydrophobicContact CG1-CZ2 4.35Å; I189-W191 HydrophobicContact CG2-CD2 3.66Å; I189-W191 HydrophobicContact CG2-CE3 4.11Å; I189-W191 HydrophobicContact CG2-CG 4.19Å; I189-W191 HydrophobicContact CG2-CH2 4.04Å; I189-W191 HydrophobicContact CG2-CZ2 3.57Å; I189-W191 HydrophobicContact CG2-CZ3 4.29Å; I189-K204 HydrophobicContact CG2-CB 3.85Å; I189-K204 HydrophobicContact CG2-CD 3.97Å; I189-K204 HydrophobicContact CG2-CG 4.32Å; I189-A205 WeakPolarHBondContact CA-O 3.4Å; I189-F206 HydrophobicContact CG1-CB 3.96Å
190V92.4Very high86.6Confident2 Ų240.7 Ų40.71%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-107.9115165.61740000108.1R178 L179 L180 K204 A205 W224 F232 L248 M250R178-V190 HydrophobicContact CB-CG1 4.1Å; L179-V190 CarbonylContact O-C 3.58Å; L179-V190 VanDerWaalsContact O-CA 3.32Å; L179-V190 WeakPolarHBondContact O-CA 3.05Å; L180-V190 HydrophobicContact CB-CG2 4.44Å; L180-V190 HydrophobicContact CD1-CG2 3.59Å; V190-K204 VanDerWaalsContact O-CA 3.28Å; V190-K204 WeakPolarHBondContact O-CA 3.24Å; V190-A205 PolarHBondContact N-O 3.39Å; V190-A205 PolarHBondContact O-N 3.44Å; V190-W224 HydrophobicContact CB-CH2 4.29Å; V190-W224 HydrophobicContact CG1-CH2 3.62Å; V190-W224 HydrophobicContact CG1-CZ2 4.24Å; V190-W224 HydrophobicContact CG2-CH2 3.6Å; V190-W224 HydrophobicContact CG2-CZ2 4.21Å; V190-W224 HydrophobicContact CG2-CZ3 4.26Å; V190-F232 HydrophobicContact CG2-CE1 4.4Å; V190-L248 HydrophobicContact CB-CD1 3.82Å; V190-L248 HydrophobicContact CG2-CD1 3.45Å; V190-L248 VanDerWaalsContact CG2-CD1 3.45Å; V190-M250 HydrophobicContact CB-SD 4.12Å; V190-M250 HydrophobicContact CG1-CE 3.96Å; V190-M250 HydrophobicContact CG1-SD 3.53Å; V190-M250 VanDerWaalsContact CG1-SD 3.53Å
191W90.6Very high85.6Confident2 Ų244.8 Ų44.81%0.00826%0.256CS..EExtended strand (participates in β ladder)trans-93.3136.3176.8-48.592.5000109.7L160 P161 R178 L179 T181 I189 V193 F201 K204L160-W191 HydrophobicContact CB-CD2 4.14Å; L160-W191 HydrophobicContact CB-CE3 4.43Å; L160-W191 HydrophobicContact CB-CH2 4.46Å; L160-W191 HydrophobicContact CB-CZ2 4.18Å; L160-W191 HydrophobicContact CD1-CB 4.08Å; L160-W191 HydrophobicContact CD1-CD2 4.18Å; L160-W191 HydrophobicContact CD1-CG 3.83Å; L160-W191 HydrophobicContact CD2-CD2 4.15Å; L160-W191 HydrophobicContact CD2-CE3 3.93Å; L160-W191 HydrophobicContact CD2-CG 4.46Å; L160-W191 HydrophobicContact CD2-CZ3 4.41Å; L160-W191 HydrophobicContact CG-CD2 4.39Å; P161-W191 VanDerWaalsContact O-CH2 3.28Å; P161-W191 WeakPolarHBondContact O-CH2 3.14Å; R178-W191 CarbonylContact C-O 3.57Å; R178-W191 VanDerWaalsContact CA-O 3.23Å; R178-W191 WeakPolarHBondContact CA-O 3.43Å; L179-W191 HydrophobicContact CB-CB 4.27Å; L179-W191 PolarHBondContact N-O 2.98Å; L179-W191 VanDerWaalsContact O-CD1 3.28Å; L179-W191 PolarHBondContact O-N 2.87Å; T181-W191 PolarHBondContact OG1-NE1 3.12Å; I189-W191 HydrophobicContact CB-CZ2 3.95Å; I189-W191 HydrophobicContact CD1-CH2 3.98Å; I189-W191 HydrophobicContact CD1-CZ2 3.59Å; I189-W191 HydrophobicContact CG1-CZ2 4.35Å; I189-W191 HydrophobicContact CG2-CD2 3.66Å; I189-W191 HydrophobicContact CG2-CE3 4.11Å; I189-W191 HydrophobicContact CG2-CG 4.19Å; I189-W191 HydrophobicContact CG2-CH2 4.04Å; I189-W191 HydrophobicContact CG2-CZ2 3.57Å; I189-W191 HydrophobicContact CG2-CZ3 4.29Å; W191-V193 HydrophobicContact CB-CG1 4.11Å; W191-F201 HydrophobicContact CZ3-CD1 4.11Å; W191-F201 HydrophobicContact CZ3-CE1 4.44Å; W191-K204 HydrophobicContact CD2-CB 4.46Å; W191-K204 HydrophobicContact CE3-CB 3.81Å; W191-K204 HydrophobicContact CE3-CD 4.04Å; W191-K204 HydrophobicContact CH2-CD 3.85Å; W191-K204 HydrophobicContact CZ3-CB 4.13Å; W191-K204 HydrophobicContact CZ3-CD 3.45Å; W191-K204 VanDerWaalsContact CZ3-CD 3.45Å; W191-K204 HydrophobicContact CZ3-CG 4.39Å
192D88.2Confident84.5Confident35 Ų3547.3 Ų47.319%0.18728%0.278CS..EExtended strand (participates in β ladder)trans-81.7118.3161.9-159-51.9000109R178 T194 M200 N203 M250R178-D192 IonicContact CZ-OD2 3.63Å; R178-D192 IonicContact NH1-OD2 2.79Å; R178-D192 PolarHBondContact NH1-OD2 2.86Å; R178-D192 IonicContact NH2-OD2 2.85Å; D192-T194 VanDerWaalsContact OD1-CB 3.22Å; D192-T194 WeakPolarHBondContact OD1-CB 3.16Å; D192-T194 PolarHBondContact OD1-N 3.2Å; D192-T194 PolarHBondContact OD1-OG1 3.08Å; D192-M200 WeakPolarHBondContact O-CE 3.38Å; D192-N203 HydrophobicContact CB-CB 4.01Å; D192-N203 PolarHBondContact N-O 3.13Å; D192-M250 HydrophobicContact CB-CE 3.72Å
193V87.8Confident83.8Confident17 Ų1751.4 Ų51.410%0.10330%0.3CS..  trans-115.419.9-177.5-65.50000111.7L160 F171 N177 L179 W191 S195 L196L160-V193 HydrophobicContact CD1-CG1 4.11Å; F171-V193 HydrophobicContact CD1-CG2 4.37Å; F171-V193 HydrophobicContact CE1-CG2 4.02Å; N177-V193 WeakPolarHBondContact O-CG2 3.29Å; N177-V193 PolarHBondContact O-N 2.64Å; L179-V193 HydrophobicContact CB-CG1 4.2Å; W191-V193 HydrophobicContact CB-CG1 4.11Å; V193-S195 PolarHBondContact O-N 3.21Å; V193-L196 HydrophobicContact CB-CD2 3.95Å; V193-L196 HydrophobicContact CG1-CD2 4.42Å
194T86.5Confident83.4Confident92 Ų9253.9 Ų53.956%0.56431%0.311SS*.SBendtrans-60.5-34.5176.5-49.70000111.8D192D192-T194 VanDerWaalsContact OD1-CB 3.22Å; D192-T194 WeakPolarHBondContact OD1-CB 3.16Å; D192-T194 PolarHBondContact OD1-N 3.2Å; D192-T194 PolarHBondContact OD1-OG1 3.08Å
195S80.4Confident83.3Confident63 Ų6351.2 Ų51.244%0.44129%0.292SS..  trans-127.9113.4173171.70000109.6V193 K197 M200V193-S195 PolarHBondContact O-N 3.21Å; S195-K197 PolarHBondContact O-N 3.45Å; S195-K197 PolarHBondContact OG-N 2.96Å; S195-K197 PolarHBondContact OG-O 3.43Å; S195-M200 WeakPolarHBondContact O-CE 3.26Å
196L79.2Confident83.1Confident73 Ų7351.5 Ų51.538%0.38229%0.291SS..  trans-77.45.7176.4-54.1-179.5000113.2L157 C158 V193L157-L196 HydrophobicContact CB-CD1 3.99Å; L157-L196 HydrophobicContact CD1-CD1 4.22Å; C158-L196 HydrophobicContact CB-CB 4.46Å; C158-L196 HydrophobicContact CB-CD2 4.49Å; V193-L196 HydrophobicContact CB-CD2 3.95Å; V193-L196 HydrophobicContact CG1-CD2 4.42Å
197K73.8Confident83.1Confident184 Ų18450 Ų5080%0.828%0.284SS*.SBendtrans-103.9136.4178.3-63.1-177-180-179.50109.9S195S195-K197 PolarHBondContact O-N 3.45Å; S195-K197 PolarHBondContact OG-N 2.96Å; S195-K197 PolarHBondContact OG-O 3.43Å
198G71.6Confident83Confident71 Ų7152.1 Ų52.173%0.73230%0.3SS*.SBendtrans101.9-169.6175.900000113.8M200G198-M200 PolarHBondContact O-N 3.21Å; G198-M200 VanDerWaalsContact O-N 3.09Å
199D73Confident82.8Confident101 Ų10152.7 Ų52.754%0.5430%0.303SS..  trans-77.490.8177.9-173.81.5000110.8F201 A202D199-F201 PolarHBondContact O-N 3.23Å; D199-F201 WeakPolarHBondContact OD1-CA 3.28Å; D199-F201 WeakPolarHBondContact OD1-CB 3.45Å; D199-F201 WeakPolarHBondContact OD1-CD2 3.13Å; D199-F201 WeakPolarHBondContact OD1-CG 3.5Å; D199-F201 PolarHBondContact OD1-N 2.52Å; D199-A202 PolarHBondContact O-N 3.18Å
200M70.6Confident82.6Confident12 Ų1254.6 Ų54.66%0.05931%0.313CS..G310 helixtrans-63.4-15.3175.7-65.4-94.476.400112.7L160 D192 S195 G198 A202 N203L160-M200 HydrophobicContact CD2-CB 3.71Å; L160-M200 HydrophobicContact CD2-CG 4.15Å; D192-M200 WeakPolarHBondContact O-CE 3.38Å; S195-M200 WeakPolarHBondContact O-CE 3.26Å; G198-M200 PolarHBondContact O-N 3.21Å; G198-M200 VanDerWaalsContact O-N 3.09Å; M200-A202 PolarHBondContact O-N 2.94Å; M200-N203 PolarHBondContact O-N 3.43Å
201F73.4Confident82.3Confident87 Ų8755 Ų5538%0.38232%0.315SS..G310 helixtrans-67.9-24.9177.5-54.8-50.2000113.2P161 W191 D199 K204P161-F201 HydrophobicContact CB-CE1 4.43Å; P161-F201 HydrophobicContact CG-CD1 3.94Å; P161-F201 HydrophobicContact CG-CE1 2.97Å; P161-F201 HydrophobicContact CG-CE2 4.29Å; P161-F201 HydrophobicContact CG-CZ 3.17Å; W191-F201 HydrophobicContact CZ3-CD1 4.11Å; W191-F201 HydrophobicContact CZ3-CE1 4.44Å; D199-F201 PolarHBondContact O-N 3.23Å; D199-F201 WeakPolarHBondContact OD1-CA 3.28Å; D199-F201 WeakPolarHBondContact OD1-CB 3.45Å; D199-F201 WeakPolarHBondContact OD1-CD2 3.13Å; D199-F201 WeakPolarHBondContact OD1-CG 3.5Å; D199-F201 PolarHBondContact OD1-N 2.52Å; F201-K204 PolarHBondContact O-NZ 3.4Å
202A71.7Confident82.1Confident61 Ų6161.1 Ų61.150%0.50434%0.343SS..G310 helixtrans-77-24.1176.500000112.6D199 M200 K204D199-A202 PolarHBondContact O-N 3.18Å; M200-A202 PolarHBondContact O-N 2.94Å; A202-K204 PolarHBondContact O-N 3.33Å
203N78.1Confident81.9Confident87 Ų8759.8 Ų59.847%0.46534%0.337SS..SBendtrans-105.460.6-173.4-64-31.8000111.7D192 M200D192-N203 HydrophobicContact CB-CB 4.01Å; D192-N203 PolarHBondContact N-O 3.13Å; M200-N203 PolarHBondContact O-N 3.43Å
204K84.5Confident81.7Confident53 Ų5360.8 Ų60.823%0.2335%0.351CS..EExtended strand (participates in β ladder)trans-139.9143.7179.472.2-177.6-177.9-95.70112.4I189 V190 W191 F201 A202I189-K204 HydrophobicContact CG2-CB 3.85Å; I189-K204 HydrophobicContact CG2-CD 3.97Å; I189-K204 HydrophobicContact CG2-CG 4.32Å; V190-K204 VanDerWaalsContact O-CA 3.28Å; V190-K204 WeakPolarHBondContact O-CA 3.24Å; W191-K204 HydrophobicContact CD2-CB 4.46Å; W191-K204 HydrophobicContact CE3-CB 3.81Å; W191-K204 HydrophobicContact CE3-CD 4.04Å; W191-K204 HydrophobicContact CH2-CD 3.85Å; W191-K204 HydrophobicContact CZ3-CB 4.13Å; W191-K204 HydrophobicContact CZ3-CD 3.45Å; W191-K204 VanDerWaalsContact CZ3-CD 3.45Å; W191-K204 HydrophobicContact CZ3-CG 4.39Å; F201-K204 PolarHBondContact O-NZ 3.4Å; A202-K204 PolarHBondContact O-N 3.33Å
205A89.2Confident81.4Confident0 Ų066.3 Ų66.30%036%0.361CS..EExtended strand (participates in β ladder)trans-107.4146.7162.300000109.2I189 V190 L248 M250I189-A205 WeakPolarHBondContact CA-O 3.4Å; V190-A205 PolarHBondContact N-O 3.39Å; V190-A205 PolarHBondContact O-N 3.44Å; A205-L248 HydrophobicContact CB-CB 4.17Å; A205-L248 HydrophobicContact CB-CD1 3.94Å; A205-L248 HydrophobicContact CB-CG 4.5Å; A205-M250 HydrophobicContact CB-SD 3.78Å
206F88.7Confident81.4Confident47 Ų4772.4 Ų72.421%0.20638%0.375CS..EExtended strand (participates in β ladder)trans-138.9161.4177.970-90.1000113.3L187 I188 I189 D253 K254 A255L187-F206 HydrophobicContact CD2-CD2 3.89Å; L187-F206 HydrophobicContact CD2-CE2 4.42Å; I188-F206 CarbonylContact O-C 3.49Å; I188-F206 VanDerWaalsContact O-CA 3.31Å; I188-F206 WeakPolarHBondContact O-CA 3.42Å; I189-F206 HydrophobicContact CG1-CB 3.96Å; F206-D253 WeakPolarHBondContact CD1-O 3.49Å; F206-D253 HydrophobicContact CE1-CB 4.3Å; F206-D253 WeakPolarHBondContact CE1-O 3.33Å; F206-D253 PolarHBondContact N-O 2.88Å; F206-K254 HydrophobicContact CE1-CG 4.25Å; F206-K254 HydrophobicContact CE2-CG 4.43Å; F206-K254 HydrophobicContact CZ-CG 3.98Å; F206-K254 CarbonylContact O-C 3.57Å; F206-K254 WeakPolarHBondContact O-CA 3.26Å; F206-A255 PolarHBondContact O-N 3.36Å
207T89.6Confident81.5Confident9 Ų971.6 Ų71.66%0.05537%0.37CS..EExtended strand (participates in β ladder)trans-132.3133.1166.3-171.70000109.8I188 F232 V246I188-T207 HydrophobicContact CB-CG2 3.86Å; I188-T207 PolarHBondContact N-O 3.04Å; I188-T207 PolarHBondContact O-N 3.15Å; T207-F232 HydrophobicContact CG2-CZ 3.82Å; T207-V246 HydrophobicContact CG2-CG1 4.13Å; T207-V246 HydrophobicContact CG2-CG2 4.38Å
208P89.2Confident81.8Confident93 Ų9363.3 Ų63.360%0.60434%0.335SS*.EExtended strand (participates in β ladder)trans-58.9141.1161.6-20.833.1000110D186D186-P208 CarbonylContact O-C 3.58Å; D186-P208 WeakPolarHBondContact O-CA 3.37Å
209H88.6Confident82.5Confident12 Ų1264 Ų646%0.05632%0.318CS..  trans-156.1135.2-178.9-173-93.8000111.4D186 I188 N211 F220 G235 S236D186-H209 CarbonylContact C-O 3.53Å; D186-H209 WeakPolarHBondContact CA-O 3.45Å; D186-H209 WeakPolarHBondContact CB-O 3.41Å; D186-H209 PolarHBondContact O-N 2.88Å; D186-H209 VanDerWaalsContact O-O 3.1Å; I188-H209 HydrophobicContact CD1-CB 3.8Å; I188-H209 HydrophobicContact CG1-CB 4.03Å; H209-N211 PolarHBondContact CE1-OD1 2.76Å; H209-N211 PolarHBondContact ND1-OD1 3.38Å; H209-N211 PolarHBondContact O-N 3.29Å; H209-F220 AromaticContact CE1-CD2 3.84Å; H209-G235 PolarHBondContact CE1-O 3.08Å; H209-G235 PolarHBondContact NE2-O 3.23Å; H209-S236 VanDerWaalsContact NE2-CB 3.29Å; H209-S236 WeakPolarHBondContact NE2-CB 3.13Å; H209-S236 PolarHBondContact NE2-OG 3.1Å
210N88.7Confident83.3Confident45 Ų4559.4 Ų59.424%0.24129%0.293CS..  trans-73.892.5178.5-174.6-14.4000111.1H212 F220 M237 N238N210-H212 PolarHBondContact OD1-N 3.01Å; N210-F220 WeakPolarHBondContact O-CE2 3.34Å; N210-M237 HydrophobicContact CB-CB 4.47Å; N210-N238 VanDerWaalsContact CB-OD1 3.27Å; N210-N238 WeakPolarHBondContact CB-OD1 3.37Å; N210-N238 PolarHBondContact ND2-OD1 3.35Å; N210-N238 VanDerWaalsContact ND2-OD1 3.07Å
211N86.1Confident84.3Confident11 Ų1160.6 Ų60.66%0.05930%0.297CS..  trans-97.811.5-178.5-72.2-31.3000112.9S183 D186 H209 V213S183-N211 WeakPolarHBondContact O-CB 3.33Å; S183-N211 PolarHBondContact O-ND2 2.81Å; D186-N211 WeakPolarHBondContact OD1-CA 3.37Å; D186-N211 WeakPolarHBondContact OD1-CB 3.27Å; D186-N211 PolarHBondContact OD1-N 3.45Å; H209-N211 PolarHBondContact CE1-OD1 2.76Å; H209-N211 PolarHBondContact ND1-OD1 3.38Å; H209-N211 PolarHBondContact O-N 3.29Å; N211-V213 VanDerWaalsContact O-CG2 3.28Å; N211-V213 WeakPolarHBondContact O-CG2 3.45Å; N211-V213 PolarHBondContact O-N 2.85Å
212H86.4Confident85.2Confident130 Ų13056.6 Ų56.660%0.60228%0.28SS*.  trans-71.555.7177.8-69.6-78.6000113.4D186 N210D186-H212 IonicContact OD1-CD2 3.03Å; D186-H212 PolarHBondContact OD1-CD2 2.86Å; D186-H212 IonicContact OD1-NE2 3.11Å; D186-H212 IonicContact OD2-CD2 3.12Å; D186-H212 PolarHBondContact OD2-CD2 2.8Å; D186-H212 IonicContact OD2-NE2 3.51Å; D186-H212 PolarHBondContact OD2-NE2 2.91Å; D186-H212 VanDerWaalsContact OD2-NE2 3.11Å; N210-H212 PolarHBondContact OD1-N 3.01Å
213V83.9Confident86.2Confident7 Ų755.7 Ų55.74%0.04227%0.268CS..  trans-77.2122.7170-131.10000108.4N211 L217 K219 F220 M237 F269N211-V213 VanDerWaalsContact O-CG2 3.28Å; N211-V213 WeakPolarHBondContact O-CG2 3.45Å; N211-V213 PolarHBondContact O-N 2.85Å; V213-L217 HydrophobicContact CB-CB 4.48Å; V213-L217 HydrophobicContact CG1-CB 3.71Å; V213-L217 HydrophobicContact CG1-CD1 4.04Å; V213-K219 HydrophobicContact CB-CD 4.25Å; V213-K219 HydrophobicContact CG2-CD 4.08Å; V213-K219 PolarHBondContact O-NZ 3.02Å; V213-F220 HydrophobicContact CG2-CD2 3.73Å; V213-F220 HydrophobicContact CG2-CE2 3.79Å; V213-F220 HydrophobicContact CG2-CG 4.42Å; V213-M237 HydrophobicContact CG1-CG 4.5Å; V213-M237 HydrophobicContact CG1-SD 4.33Å; V213-F269 HydrophobicContact CG1-CD1 3.98Å; V213-F269 HydrophobicContact CG1-CE1 3.51Å
214G82.2Confident86.9Confident39 Ų3952.3 Ų52.340%0.40225%0.248SC..  trans-52.8155.8-17900000113.1W216 L217G214-W216 PolarHBondContact O-N 3.19Å; G214-L217 PolarHBondContact O-N 2.92Å
215R80.7Confident87.2Confident207 Ų20750.4 Ų50.478%0.78124%0.241SC*.THydrogen-bonded Turntrans-46.8-35.5-174-177.3177179.2173.40.3114.4
216W79.4Confident87.1Confident192 Ų19253.1 Ų53.173%0.72726%0.258SS*.THydrogen-bonded Turntrans-95.40.7-173.2-50.9117.6000114.4R20 G214R20-W216 PolarHBondContact NH1-O 2.85Å; G214-W216 PolarHBondContact O-N 3.19Å
217L82Confident87Confident55 Ų5558.1 Ų58.129%0.28828%0.28SS..SBendtrans-100.1152.9-178.8-64.2-177.8000111.5V213 G214 K219 F269V213-L217 HydrophobicContact CB-CB 4.48Å; V213-L217 HydrophobicContact CG1-CB 3.71Å; V213-L217 HydrophobicContact CG1-CD1 4.04Å; G214-L217 PolarHBondContact O-N 2.92Å; L217-K219 PolarHBondContact O-N 2.93Å; L217-F269 HydrophobicContact CB-CE1 4.22Å; L217-F269 HydrophobicContact CD1-CE1 4.21Å; L217-F269 HydrophobicContact CD1-CZ 4.13Å
218T80.3Confident86.8Confident10 Ų1059.4 Ų59.46%0.06129%0.286CS..PPolyproline II helixtrans-60.2126.2171.5-520000108.3R20 Y22 F269R20-T218 VanDerWaalsContact CD-OG1 3.27Å; R20-T218 WeakPolarHBondContact CD-OG1 3.39Å; Y22-T218 HydrophobicContact CD1-CG2 4.45Å; T218-F269 HydrophobicContact CG2-CB 4.23Å; T218-F269 WeakPolarHBondContact O-CD1 3.2Å
219K87.4Confident86.8Confident87 Ų8756.6 Ų56.638%0.37827%0.265SS..PPolyproline II helixtrans-63.4149.3173.4-60.1-59-176.7175.40109.5V213 L217 R221V213-K219 HydrophobicContact CB-CD 4.25Å; V213-K219 HydrophobicContact CG2-CD 4.08Å; V213-K219 PolarHBondContact O-NZ 3.02Å; L217-K219 PolarHBondContact O-N 2.93Å; K219-R221 PolarHBondContact O-N 3.47Å
220F89.7Confident86.7Confident3 Ų357.7 Ų57.71%0.01327%0.273CS..PPolyproline II helixtrans-58.5139.1174.3-68.1-58.8000110N168 H209 N210 V213 P222 G235 M237 V267 F269N168-F220 PolarHBondContact ND2-O 2.88Å; H209-F220 AromaticContact CE1-CD2 3.84Å; N210-F220 WeakPolarHBondContact O-CE2 3.34Å; V213-F220 HydrophobicContact CG2-CD2 3.73Å; V213-F220 HydrophobicContact CG2-CE2 3.79Å; V213-F220 HydrophobicContact CG2-CG 4.42Å; F220-P222 WeakPolarHBondContact O-CD 3.24Å; F220-G235 VanDerWaalsContact CD1-C 3.46Å; F220-G235 WeakPolarHBondContact CD1-O 3.4Å; F220-G235 WeakPolarHBondContact CG-O 3.28Å; F220-M237 HydrophobicContact CE2-CB 4.33Å; F220-M237 HydrophobicContact CE2-CG 3.72Å; F220-M237 HydrophobicContact CZ-CB 4.4Å; F220-M237 HydrophobicContact CZ-CG 3.73Å; F220-M237 HydrophobicContact CZ-SD 4.12Å; F220-V267 HydrophobicContact CE1-CG1 3.48Å; F220-V267 VanDerWaalsContact CE1-CG1 3.48Å; F220-V267 HydrophobicContact CZ-CG1 3.73Å; F220-F269 HydrophobicContact CD1-CD1 4.43Å; F220-F269 HydrophobicContact CE1-CD1 4.08Å
221R89.7Confident86.7Confident38 Ų3855.6 Ų55.614%0.14326%0.261CS..  trans-110.3102173.2-70.4-176.2171.6174-6.7108.6Y22 N71 K219 F269Y22-R221 PolarHBondContact O-NH1 3.24Å; N71-R221 VanDerWaalsContact O-CZ 3.26Å; N71-R221 PolarHBondContact O-NH1 3.29Å; N71-R221 PolarHBondContact O-NH2 2.57Å; K219-R221 PolarHBondContact O-N 3.47Å; R221-F269 PolarHBondContact N-O 2.85Å; R221-F269 VanDerWaalsContact N-O 3.15Å
222P92.8Very high87Confident2 Ų255 Ų551%0.01326%0.258CS..  trans-60137.3166.7-19.931.7000109.7F170 L180 I188 F220 F232 I233F170-P222 VanDerWaalsContact CD2-O 3.24Å; F170-P222 WeakPolarHBondContact CD2-O 3.5Å; F170-P222 WeakPolarHBondContact CE2-O 3.25Å; L180-P222 HydrophobicContact CD1-CB 4.36Å; L180-P222 HydrophobicContact CD2-CB 3.56Å; L180-P222 HydrophobicContact CG-CB 3.94Å; I188-P222 HydrophobicContact CD1-CG 4.05Å; I188-P222 HydrophobicContact CG1-CG 4.36Å; I188-P222 HydrophobicContact CG2-CG 4.33Å; F220-P222 WeakPolarHBondContact O-CD 3.24Å; P222-F232 HydrophobicContact CB-CD2 4.2Å; P222-I233 CarbonylContact C-O 3.58Å; P222-I233 VanDerWaalsContact CA-O 3.27Å; P222-I233 WeakPolarHBondContact CA-O 3.27Å
223V92.8Very high87.3Confident42 Ų4248.9 Ų48.926%0.25523%0.23SC..EExtended strand (participates in β ladder)trans-129123-179.5177.20000108.9F232 I233 N271 F273V223-F232 CarbonylContact O-C 3.56Å; V223-F232 WeakPolarHBondContact O-CA 3.27Å; V223-F232 VanDerWaalsContact O-CB 3.25Å; V223-F232 WeakPolarHBondContact O-CB 3.4Å; V223-I233 HydrophobicContact CB-CG1 4.05Å; V223-I233 PolarHBondContact N-O 3.02Å; V223-I233 PolarHBondContact O-N 3.31Å; V223-N271 WeakPolarHBondContact CG2-O 3.38Å; V223-F273 HydrophobicContact CG1-CD2 4.49Å
224W92.9Very high87.7Confident16 Ų1648.5 Ų48.56%0.06123%0.228CC..EExtended strand (participates in β ladder)trans-56.3145.1172.9-74114.3000111.8F170 F171 P173 R178 L180 V190 E229 F232 F273F170-W224 PolarHBondContact O-NE1 2.92Å; F171-W224 PolarHBondContact O-NE1 3.11Å; P173-W224 HydrophobicContact CG-CB 4.05Å; R178-W224 HydrophobicContact CB-CH2 4.13Å; R178-W224 HydrophobicContact CB-CZ2 4.05Å; L180-W224 HydrophobicContact CB-CD2 4.22Å; L180-W224 HydrophobicContact CB-CH2 4.24Å; L180-W224 HydrophobicContact CB-CZ2 3.41Å; L180-W224 VanDerWaalsContact CB-CZ2 3.41Å; L180-W224 VanDerWaalsContact CB-NE1 3.33Å; L180-W224 HydrophobicContact CD2-CD2 4.02Å; L180-W224 HydrophobicContact CD2-CG 4.21Å; L180-W224 HydrophobicContact CG-CZ2 4.47Å; V190-W224 HydrophobicContact CB-CH2 4.29Å; V190-W224 HydrophobicContact CG1-CH2 3.62Å; V190-W224 HydrophobicContact CG1-CZ2 4.24Å; V190-W224 HydrophobicContact CG2-CH2 3.6Å; V190-W224 HydrophobicContact CG2-CZ2 4.21Å; V190-W224 HydrophobicContact CG2-CZ3 4.26Å; W224-E229 HydrophobicContact CZ3-CB 4.47Å; W224-E229 WeakPolarHBondContact CZ3-O 3.34Å; W224-F232 HydrophobicContact CE3-CB 4.39Å; W224-F273 WeakPolarHBondContact O-CD2 3.47Å; W224-F273 WeakPolarHBondContact O-CE2 3.43Å
225H90.1Very high88.1Confident14 Ų1446.7 Ų46.77%0.06521%0.209CC..EExtended strand (participates in β ladder)trans-65.6133161.9-177.8-86.9000108.7K227 D228 L231 F273H225-K227 PolarHBondContact ND1-N 2.81Å; H225-K227 PolarHBondContact O-N 3.32Å; H225-D228 HydrophobicContact CB-CB 4.34Å; H225-D228 WeakPolarHBondContact CB-O 3.41Å; H225-D228 WeakPolarHBondContact ND1-CB 3.46Å; H225-D228 PolarHBondContact ND1-N 3.32Å; H225-D228 VanDerWaalsContact ND1-N 3.17Å; H225-D228 PolarHBondContact O-N 2.81Å; H225-L231 HydrophobicContact CB-CB 3.61Å; H225-L231 HydrophobicContact CB-CD1 4.46Å; H225-L231 PolarHBondContact N-O 2.8Å; H225-F273 VanDerWaalsContact CA-CE2 3.44Å; H225-F273 HydrophobicContact CB-CD2 4.45Å; H225-F273 HydrophobicContact CB-CE2 3.93Å; H225-F273 HydrophobicContact CB-CZ 3.98Å; H225-F273 AromaticContact CD2-CD1 3.91Å; H225-F273 AromaticContact CD2-CE1 3.79Å
226P87Confident88.4Confident56 Ų5636.8 Ų36.836%0.36417%0.171SC..THydrogen-bonded Turntrans-65-17.9-168.923.9-35000114.3F273P226-F273 HydrophobicContact CG-CB 4.3Å
227K86.5Confident88.7Confident153 Ų15329.7 Ų29.767%0.66515%0.147SC*.THydrogen-bonded Turntrans-1284.5-175.3-54.5-178.3-178.1176.30113.9H225H225-K227 PolarHBondContact ND1-N 2.81Å; H225-K227 PolarHBondContact O-N 3.32Å
228D87.4Confident88.8Confident36 Ų3630.6 Ų30.619%0.19315%0.152CC..EExtended strand (participates in β ladder)trans-147.1108.2-175.7-169.5-25.5000109.9H225 T230 L231H225-D228 HydrophobicContact CB-CB 4.34Å; H225-D228 WeakPolarHBondContact CB-O 3.41Å; H225-D228 WeakPolarHBondContact ND1-CB 3.46Å; H225-D228 PolarHBondContact ND1-N 3.32Å; H225-D228 VanDerWaalsContact ND1-N 3.17Å; H225-D228 PolarHBondContact O-N 2.81Å; D228-T230 PolarHBondContact O-N 3.07Å; D228-T230 WeakPolarHBondContact OD1-CB 3.23Å; D228-T230 PolarHBondContact OD1-N 3.5Å; D228-T230 PolarHBondContact OD1-OG1 3.25Å; D228-L231 HydrophobicContact CB-CB 4.41Å; D228-L231 HydrophobicContact CB-CD1 3.76Å; D228-L231 HydrophobicContact CB-CG 4.15Å; D228-L231 PolarHBondContact O-N 3.2Å; D228-L231 VanDerWaalsContact OD2-CD1 3.28Å; D228-L231 WeakPolarHBondContact OD2-CD1 3.36Å
229E88.8Confident88.9Confident34 Ų3440.2 Ų40.216%0.15919%0.187CC..EExtended strand (participates in β ladder)trans-81.79.5-178.263.3170-145.500114.2S172 V174 T175 R178 W224S172-E229 VanDerWaalsContact OG-CB 3.3Å; S172-E229 WeakPolarHBondContact OG-CB 3.25Å; S172-E229 PolarHBondContact OG-OE2 3.18Å; V174-E229 HydrophobicContact CB-CB 4.37Å; V174-E229 HydrophobicContact CG2-CB 4.29Å; T175-E229 WeakPolarHBondContact CB-OE2 3.08Å; T175-E229 WeakPolarHBondContact CG2-OE2 3.38Å; T175-E229 PolarHBondContact OG1-OE2 2.99Å; R178-E229 IonicContact CZ-OE1 2.71Å; R178-E229 IonicContact NE-OE1 3.73Å; R178-E229 PolarHBondContact NE-OE1 2.59Å; R178-E229 IonicContact NH2-OE1 3.74Å; W224-E229 HydrophobicContact CZ3-CB 4.47Å; W224-E229 WeakPolarHBondContact CZ3-O 3.34Å
230T86.4Confident88.6Confident35 Ų3540 Ų4022%0.21520%0.195CC..EExtended strand (participates in β ladder)trans-93.4-4.5167.5710000111.7D228 Q247 L248D228-T230 PolarHBondContact O-N 3.07Å; D228-T230 WeakPolarHBondContact OD1-CB 3.23Å; D228-T230 PolarHBondContact OD1-N 3.5Å; D228-T230 PolarHBondContact OD1-OG1 3.25Å; T230-Q247 CarbonylContact O-C 3.59Å; T230-Q247 WeakPolarHBondContact O-CA 3.3Å; T230-L248 VanDerWaalsContact CB-O 3.25Å; T230-L248 WeakPolarHBondContact CB-O 3.27Å; T230-L248 PolarHBondContact O-N 3.44Å; T230-L248 VanDerWaalsContact O-O 3.14Å
231L88.6Confident88.2Confident0 Ų042.5 Ų42.50%020%0.204CC..EExtended strand (participates in β ladder)trans-128.8137.4-166.8-60.6176.6000112.3R2 H225 D228 Y245 V246 Q247R2-L231 HydrophobicContact CB-CD1 4.22Å; R2-L231 HydrophobicContact CG-CD1 4.21Å; H225-L231 HydrophobicContact CB-CB 3.61Å; H225-L231 HydrophobicContact CB-CD1 4.46Å; H225-L231 PolarHBondContact N-O 2.8Å; D228-L231 HydrophobicContact CB-CB 4.41Å; D228-L231 HydrophobicContact CB-CD1 3.76Å; D228-L231 HydrophobicContact CB-CG 4.15Å; D228-L231 PolarHBondContact O-N 3.2Å; D228-L231 VanDerWaalsContact OD2-CD1 3.28Å; D228-L231 WeakPolarHBondContact OD2-CD1 3.36Å; L231-Y245 WeakPolarHBondContact CD1-OH 3.35Å; L231-Y245 HydrophobicContact CD2-CE1 3.93Å; L231-Y245 WeakPolarHBondContact CD2-OH 3.09Å; L231-Y245 WeakPolarHBondContact CG-OH 3.46Å; L231-V246 WeakPolarHBondContact CA-O 3.36Å; L231-Q247 HydrophobicContact CD2-CB 3.36Å; L231-Q247 HydrophobicContact CD2-CG 3.46Å; L231-Q247 VanDerWaalsContact CD2-CG 3.46Å
232F92.1Very high87.8Confident0 Ų040.9 Ų40.90%020%0.199CC..EExtended strand (participates in β ladder)trans-148.2165.1167.567.3-92.6000111.9L180 I188 V190 T207 P222 V223 W224 T234 V246 L248L180-F232 HydrophobicContact CD1-CD1 3.86Å; L180-F232 HydrophobicContact CD1-CD2 4.35Å; L180-F232 HydrophobicContact CD1-CE1 3.94Å; L180-F232 HydrophobicContact CD1-CE2 4.44Å; L180-F232 HydrophobicContact CD1-CG 4.07Å; L180-F232 HydrophobicContact CD1-CZ 4.23Å; L180-F232 HydrophobicContact CD2-CB 3.76Å; L180-F232 HydrophobicContact CD2-CD1 4.39Å; L180-F232 HydrophobicContact CD2-CD2 4.33Å; L180-F232 HydrophobicContact CD2-CG 3.93Å; I188-F232 HydrophobicContact CB-CE2 4.5Å; I188-F232 HydrophobicContact CB-CZ 4.29Å; I188-F232 HydrophobicContact CD1-CE2 4.05Å; I188-F232 HydrophobicContact CG2-CE1 4.32Å; I188-F232 HydrophobicContact CG2-CE2 3.73Å; I188-F232 HydrophobicContact CG2-CZ 3.55Å; V190-F232 HydrophobicContact CG2-CE1 4.4Å; T207-F232 HydrophobicContact CG2-CZ 3.82Å; P222-F232 HydrophobicContact CB-CD2 4.2Å; V223-F232 CarbonylContact O-C 3.56Å; V223-F232 WeakPolarHBondContact O-CA 3.27Å; V223-F232 VanDerWaalsContact O-CB 3.25Å; V223-F232 WeakPolarHBondContact O-CB 3.4Å; W224-F232 HydrophobicContact CE3-CB 4.39Å; F232-T234 HydrophobicContact CE2-CG2 4.32Å; F232-V246 HydrophobicContact CD1-CB 4.32Å; F232-V246 HydrophobicContact CD2-CB 4.23Å; F232-V246 HydrophobicContact CE1-CB 3.83Å; F232-V246 HydrophobicContact CE1-CG1 3.75Å; F232-V246 HydrophobicContact CE2-CB 3.71Å; F232-V246 HydrophobicContact CE2-CG1 4.31Å; F232-V246 HydrophobicContact CE2-CG2 3.77Å; F232-V246 HydrophobicContact CZ-CB 3.5Å; F232-V246 HydrophobicContact CZ-CG1 3.59Å; F232-V246 HydrophobicContact CZ-CG2 3.87Å; F232-V246 PolarHBondContact N-O 3.45Å; F232-V246 PolarHBondContact O-N 2.82Å; F232-L248 HydrophobicContact CE1-CD1 3.66Å; F232-L248 HydrophobicContact CE1-CG 3.82Å
233I92.6Very high86.8Confident0 Ų040.8 Ų40.80%020%0.198CC..EExtended strand (participates in β ladder)trans-119146.4172.854.2-179.3000111P222 V223 T244 Y245 N271 F273 I280P222-I233 CarbonylContact C-O 3.58Å; P222-I233 VanDerWaalsContact CA-O 3.27Å; P222-I233 WeakPolarHBondContact CA-O 3.27Å; V223-I233 HydrophobicContact CB-CG1 4.05Å; V223-I233 PolarHBondContact N-O 3.02Å; V223-I233 PolarHBondContact O-N 3.31Å; I233-T244 WeakPolarHBondContact CA-O 3.13Å; I233-Y245 HydrophobicContact CG2-CD2 3.46Å; I233-Y245 VanDerWaalsContact CG2-CD2 3.46Å; I233-Y245 HydrophobicContact CG2-CE2 4.35Å; I233-Y245 HydrophobicContact CG2-CG 4.23Å; I233-N271 HydrophobicContact CD1-CB 3.5Å; I233-N271 HydrophobicContact CG1-CB 4.01Å; I233-F273 HydrophobicContact CB-CE2 4.21Å; I233-F273 HydrophobicContact CB-CZ 4.06Å; I233-F273 HydrophobicContact CD1-CD1 4.42Å; I233-F273 HydrophobicContact CD1-CD2 3.81Å; I233-F273 HydrophobicContact CD1-CE1 4.3Å; I233-F273 HydrophobicContact CD1-CE2 3.69Å; I233-F273 HydrophobicContact CD1-CG 4.21Å; I233-F273 HydrophobicContact CD1-CZ 3.98Å; I233-F273 HydrophobicContact CG1-CD2 4.11Å; I233-F273 HydrophobicContact CG1-CE2 3.52Å; I233-F273 HydrophobicContact CG1-CZ 3.85Å; I233-F273 HydrophobicContact CG2-CE1 3.77Å; I233-F273 HydrophobicContact CG2-CE2 3.95Å; I233-F273 HydrophobicContact CG2-CZ 3.3Å; I233-I280 HydrophobicContact CD1-CG2 3.88Å; I233-I280 HydrophobicContact CG2-CD1 4.2Å
234T92.4Very high85.9Confident0 Ų039.2 Ų39.20%019%0.188CC..EExtended strand (participates in β ladder)trans-145.2150.7171.7-175.40000110.2I188 F232 T244I188-T234 HydrophobicContact CD1-CG2 3.68Å; F232-T234 HydrophobicContact CE2-CG2 4.32Å; T234-T244 PolarHBondContact N-O 3.09Å; T234-T244 PolarHBondContact O-N 3.14Å; T234-T244 VanDerWaalsContact O-O 3.12Å
235G90.3Very high84.9Confident0 Ų038.5 Ų38.50%019%0.186CC..EExtended strand (participates in β ladder)trans-74.1165165.400000110.8H209 F220 C268 N271H209-G235 PolarHBondContact CE1-O 3.08Å; H209-G235 PolarHBondContact NE2-O 3.23Å; F220-G235 VanDerWaalsContact CD1-C 3.46Å; F220-G235 WeakPolarHBondContact CD1-O 3.4Å; F220-G235 WeakPolarHBondContact CG-O 3.28Å; G235-C268 VanDerWaalsContact CA-O 3.32Å; G235-C268 WeakPolarHBondContact CA-O 3.4Å; G235-N271 PolarHBondContact N-ND2 2.8Å; G235-N271 VanDerWaalsContact N-ND2 3.11Å
236S87.1Confident84.1Confident0 Ų037.9 Ų37.90%018%0.183CC..EExtended strand (participates in β ladder)trans-137.5151.1176.2-166.70000113.2H209 N238 V242H209-S236 VanDerWaalsContact NE2-CB 3.29Å; H209-S236 WeakPolarHBondContact NE2-CB 3.13Å; H209-S236 PolarHBondContact NE2-OG 3.1Å; S236-N238 VanDerWaalsContact C-N 3.28Å; S236-N238 PolarHBondContact OG-N 3.19Å; S236-N238 PolarHBondContact OG-ND2 3.32Å; S236-V242 PolarHBondContact N-O 3.25Å
237M86.7Confident83.3Confident42 Ų4236.1 Ų36.121%0.20717%0.17CC..  trans-82.4-3.2170.8-79.9-54.6-67.400113.7N210 V213 F220 R241 V267N210-M237 HydrophobicContact CB-CB 4.47Å; V213-M237 HydrophobicContact CG1-CG 4.5Å; V213-M237 HydrophobicContact CG1-SD 4.33Å; F220-M237 HydrophobicContact CE2-CB 4.33Å; F220-M237 HydrophobicContact CE2-CG 3.72Å; F220-M237 HydrophobicContact CZ-CB 4.4Å; F220-M237 HydrophobicContact CZ-CG 3.73Å; F220-M237 HydrophobicContact CZ-SD 4.12Å; M237-R241 PolarHBondContact O-NH1 3.27Å; M237-V267 HydrophobicContact SD-CG1 4.25Å; M237-V267 HydrophobicContact SD-CG2 3.94Å
238N83.8Confident82.5Confident74 Ų7429 Ų2940%0.39614%0.139SC..  trans-55.7157.8177.4-72.3-13.1000113N210 S236 P240 V242N210-N238 VanDerWaalsContact CB-OD1 3.27Å; N210-N238 WeakPolarHBondContact CB-OD1 3.37Å; N210-N238 PolarHBondContact ND2-OD1 3.35Å; N210-N238 VanDerWaalsContact ND2-OD1 3.07Å; S236-N238 VanDerWaalsContact C-N 3.28Å; S236-N238 PolarHBondContact OG-N 3.19Å; S236-N238 PolarHBondContact OG-ND2 3.32Å; N238-P240 CarbonylContact C-O 3.58Å; N238-P240 CarbonylContact O-C 3.58Å; N238-P240 VanDerWaalsContact O-O 3.04Å; N238-V242 HydrophobicContact CB-CG2 4.13Å
239R81.4Confident81.1Confident212 Ų21230.3 Ų30.380%0.814%0.144SC*.SBendtrans-119.7136.4176.6-68.8-165.2-178.9-153.24.5110.7
240P81.7Confident79.6Confident84 Ų8430.6 Ų30.655%0.54515%0.146SC..SBendcis-59.1165.2-7.228-35.4000112.1N238 V242N238-P240 CarbonylContact C-O 3.58Å; N238-P240 CarbonylContact O-C 3.58Å; N238-P240 VanDerWaalsContact O-O 3.04Å; P240-V242 WeakPolarHBondContact O-CG1 3.1Å
241R81.7Confident78.1Confident54 Ų5434.9 Ų34.920%0.20418%0.176CC..  trans-66.2136.1-173.7-57.4-52.7-171.2-178.33.7110.5M237 L264 V267M237-R241 PolarHBondContact O-NH1 3.27Å; R241-L264 HydrophobicContact CB-CB 3.89Å; R241-L264 WeakPolarHBondContact CB-O 3.25Å; R241-V267 HydrophobicContact CG-CG2 4.43Å
242V79.6Confident76.7Confident5 Ų538.7 Ų38.73%0.0320%0.196CC..EExtended strand (participates in β ladder)trans-143.7155.2-171.1-65.20000112.6S236 N238 P240 T260 L261 R262S236-V242 PolarHBondContact N-O 3.25Å; N238-V242 HydrophobicContact CB-CG2 4.13Å; P240-V242 WeakPolarHBondContact O-CG1 3.1Å; V242-T260 HydrophobicContact CB-CG2 3.44Å; V242-T260 VanDerWaalsContact CB-CG2 3.44Å; V242-T260 HydrophobicContact CG1-CG2 3.2Å; V242-T260 HydrophobicContact CG2-CG2 3.9Å; V242-L261 CarbonylContact C-O 3.59Å; V242-L261 WeakPolarHBondContact CA-O 3.3Å; V242-L261 WeakPolarHBondContact CB-O 3.43Å; V242-R262 HydrophobicContact CG1-CG 3.93Å
243V72.6Confident75.6Confident0 Ų043.1 Ų43.10%022%0.22CC..EExtended strand (participates in β ladder)trans-106.4131.8157.8166.60000107.2L261 L264 C268 N271 F292V243-L261 HydrophobicContact CB-CB 4.23Å; V243-L261 HydrophobicContact CB-CD1 4.46Å; V243-L261 HydrophobicContact CG1-CD1 4.19Å; V243-L261 PolarHBondContact N-O 2.92Å; V243-L261 WeakPolarHBondContact O-CB 3.43Å; V243-L261 PolarHBondContact O-N 3.05Å; V243-L264 HydrophobicContact CB-CD1 4.47Å; V243-L264 HydrophobicContact CG2-CD1 3.78Å; V243-C268 HydrophobicContact CG2-CB 3.73Å; V243-N271 WeakPolarHBondContact CG2-OD1 3.31Å; V243-F292 HydrophobicContact CG2-CE2 4.34Å
244T74.3Confident74.7Confident9 Ų949.9 Ų49.96%0.05525%0.249CC..EExtended strand (participates in β ladder)trans-101.4118.2-178.2-48.40000108.7I233 T234 V246 V258I233-T244 WeakPolarHBondContact CA-O 3.13Å; T234-T244 PolarHBondContact N-O 3.09Å; T234-T244 PolarHBondContact O-N 3.14Å; T234-T244 VanDerWaalsContact O-O 3.12Å; T244-V246 HydrophobicContact CG2-CG2 3.71Å; T244-V258 HydrophobicContact CG2-CG1 3.26Å
245Y72.5Confident73.7Confident1 Ų151.2 Ų51.20%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-93.9124.3167.2175.3-85.6000108.4I5 L231 I233 V258 I259 F273 I280I5-Y245 HydrophobicContact CD1-CD2 3.81Å; I5-Y245 HydrophobicContact CD1-CE1 4.26Å; I5-Y245 HydrophobicContact CD1-CE2 3.15Å; I5-Y245 WeakPolarHBondContact CD1-OH 3.29Å; I5-Y245 HydrophobicContact CG1-CE2 4.36Å; I5-Y245 HydrophobicContact CG2-CD1 3.79Å; I5-Y245 HydrophobicContact CG2-CD2 3.83Å; I5-Y245 HydrophobicContact CG2-CE1 4.02Å; I5-Y245 HydrophobicContact CG2-CE2 4.12Å; I5-Y245 HydrophobicContact CG2-CG 3.66Å; L231-Y245 WeakPolarHBondContact CD1-OH 3.35Å; L231-Y245 HydrophobicContact CD2-CE1 3.93Å; L231-Y245 WeakPolarHBondContact CD2-OH 3.09Å; L231-Y245 WeakPolarHBondContact CG-OH 3.46Å; I233-Y245 HydrophobicContact CG2-CD2 3.46Å; I233-Y245 VanDerWaalsContact CG2-CD2 3.46Å; I233-Y245 HydrophobicContact CG2-CE2 4.35Å; I233-Y245 HydrophobicContact CG2-CG 4.23Å; Y245-V258 CarbonylContact O-C 3.55Å; Y245-V258 WeakPolarHBondContact O-CA 3.11Å; Y245-I259 HydrophobicContact CD1-CB 4.04Å; Y245-I259 HydrophobicContact CD1-CD1 3.92Å; Y245-I259 HydrophobicContact CD1-CG1 4.24Å; Y245-I259 HydrophobicContact CE1-CD1 4.17Å; Y245-I259 PolarHBondContact N-O 3.32Å; Y245-I259 PolarHBondContact O-N 3.26Å; Y245-F273 HydrophobicContact CD2-CE1 4.12Å; Y245-F273 HydrophobicContact CD2-CZ 4.11Å; Y245-F273 AromaticContact CE2-CE1 3.86Å; Y245-F273 HydrophobicContact CE2-CE1 3.86Å; Y245-F273 AromaticContact CE2-CZ 3.88Å; Y245-F273 HydrophobicContact CE2-CZ 3.88Å; Y245-I280 HydrophobicContact CD2-CD1 4.36Å
246V73Confident72.7Confident1 Ų155.2 Ų55.21%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-120.3128.7-173.3-176.20000109.2T207 L231 F232 T244 L248 A255 V258T207-V246 HydrophobicContact CG2-CG1 4.13Å; T207-V246 HydrophobicContact CG2-CG2 4.38Å; L231-V246 WeakPolarHBondContact CA-O 3.36Å; F232-V246 HydrophobicContact CD1-CB 4.32Å; F232-V246 HydrophobicContact CD2-CB 4.23Å; F232-V246 HydrophobicContact CE1-CB 3.83Å; F232-V246 HydrophobicContact CE1-CG1 3.75Å; F232-V246 HydrophobicContact CE2-CB 3.71Å; F232-V246 HydrophobicContact CE2-CG1 4.31Å; F232-V246 HydrophobicContact CE2-CG2 3.77Å; F232-V246 HydrophobicContact CZ-CB 3.5Å; F232-V246 HydrophobicContact CZ-CG1 3.59Å; F232-V246 HydrophobicContact CZ-CG2 3.87Å; F232-V246 PolarHBondContact N-O 3.45Å; F232-V246 PolarHBondContact O-N 2.82Å; T244-V246 HydrophobicContact CG2-CG2 3.71Å; V246-L248 HydrophobicContact CG1-CD2 3.71Å; V246-L248 HydrophobicContact CG1-CG 4.07Å; V246-A255 HydrophobicContact CG1-CB 3.98Å; V246-V258 HydrophobicContact CG1-CG2 4.47Å
247Q69.5Low72Confident18 Ų1859.2 Ų59.28%0.08430%0.299CS..EExtended strand (participates in β ladder)trans-108.4117.9166.5177.9-179-33.800108.9T230 L231 K256 N257T230-Q247 CarbonylContact O-C 3.59Å; T230-Q247 WeakPolarHBondContact O-CA 3.3Å; L231-Q247 HydrophobicContact CD2-CB 3.36Å; L231-Q247 HydrophobicContact CD2-CG 3.46Å; L231-Q247 VanDerWaalsContact CD2-CG 3.46Å; Q247-K256 PolarHBondContact O-N 3.21Å; Q247-K256 VanDerWaalsContact O-N 3.12Å; Q247-N257 HydrophobicContact CB-CB 4.13Å; Q247-N257 PolarHBondContact N-O 3.36Å; Q247-N257 PolarHBondContact O-N 3.45Å
248L69.9Low71.6Confident3 Ų360.6 Ų60.62%0.01631%0.31CS..EExtended strand (participates in β ladder)trans-103.4141.7171.6-59.2-174.6000109V190 A205 T230 F232 V246 A255V190-L248 HydrophobicContact CB-CD1 3.82Å; V190-L248 HydrophobicContact CG2-CD1 3.45Å; V190-L248 VanDerWaalsContact CG2-CD1 3.45Å; A205-L248 HydrophobicContact CB-CB 4.17Å; A205-L248 HydrophobicContact CB-CD1 3.94Å; A205-L248 HydrophobicContact CB-CG 4.5Å; T230-L248 VanDerWaalsContact CB-O 3.25Å; T230-L248 WeakPolarHBondContact CB-O 3.27Å; T230-L248 PolarHBondContact O-N 3.44Å; T230-L248 VanDerWaalsContact O-O 3.14Å; F232-L248 HydrophobicContact CE1-CD1 3.66Å; F232-L248 HydrophobicContact CE1-CG 3.82Å; V246-L248 HydrophobicContact CG1-CD2 3.71Å; V246-L248 HydrophobicContact CG1-CG 4.07Å; L248-A255 HydrophobicContact CD2-CB 3.38Å
249E58.9Low71.2Confident64 Ų6459 Ų5930%0.29930%0.301SS..  trans-116.5124.1162.7-79.7-178.3-165.700107.6R2 C251 D252 K256R2-E249 IonicContact NH2-OE1 3.33Å; R2-E249 PolarHBondContact NH2-OE1 3.04Å; E249-C251 PolarHBondContact O-N 2.96Å; E249-C251 VanDerWaalsContact O-N 3.1Å; E249-D252 CarbonylContact O-C 3.47Å; E249-D252 PolarHBondContact O-N 2.88Å; E249-K256 HydrophobicContact CB-CD 3.77Å; E249-K256 HydrophobicContact CB-CG 4.25Å; E249-K256 HydrophobicContact CG-CD 3.9Å; E249-K256 VanDerWaalsContact OE2-CD 3.29Å; E249-K256 WeakPolarHBondContact OE2-CD 2.98Å; E249-K256 WeakPolarHBondContact OE2-CE 3.42Å; E249-K256 IonicContact OE2-NZ 3.62Å; E249-K256 PolarHBondContact OE2-NZ 3.03Å
250M55.8Low71.3Confident40 Ų4051.1 Ų51.120%0.19728%0.276CS..THydrogen-bonded Turntrans-65.7-17.3-168.3-65.4-75.2-72.600114.4R178 V190 D192 A205 D252R178-M250 VanDerWaalsContact NH1-CG 3.32Å; V190-M250 HydrophobicContact CB-SD 4.12Å; V190-M250 HydrophobicContact CG1-CE 3.96Å; V190-M250 HydrophobicContact CG1-SD 3.53Å; V190-M250 VanDerWaalsContact CG1-SD 3.53Å; D192-M250 HydrophobicContact CB-CE 3.72Å; A205-M250 HydrophobicContact CB-SD 3.78Å; M250-D252 PolarHBondContact O-N 3.32Å
251C55Low71.3Confident125 Ų12547.4 Ų47.485%0.84525%0.252SS*.THydrogen-bonded Turntrans-73.6-16.5173.5-620000113E249E249-C251 PolarHBondContact O-N 2.96Å; E249-C251 VanDerWaalsContact O-N 3.1Å
252D59.7Low71.5Confident81 Ų8150.7 Ų50.743%0.43326%0.264SS..SBendtrans-114.3120.2172.9-81.5-61.7000107.5E249 M250 K254 K256E249-D252 CarbonylContact O-C 3.47Å; E249-D252 PolarHBondContact O-N 2.88Å; M250-D252 PolarHBondContact O-N 3.32Å; D252-K254 PolarHBondContact O-N 2.72Å; D252-K256 WeakPolarHBondContact OD2-CE 3.23Å; D252-K256 IonicContact OD2-NZ 3.35Å; D252-K256 PolarHBondContact OD2-NZ 3.01Å
253D69.2Low71.7Confident93 Ų9356.4 Ų56.450%0.49730%0.295SS..SBendtrans-57.4-2.9-179-61-25.2000113.7F206F206-D253 WeakPolarHBondContact CD1-O 3.49Å; F206-D253 HydrophobicContact CE1-CB 4.3Å; F206-D253 WeakPolarHBondContact CE1-O 3.33Å; F206-D253 PolarHBondContact N-O 2.88Å
254K73.7Confident72.3Confident141 Ų14157.1 Ų57.161%0.61330%0.298SS*.BIsolated β-bridgetrans-126.9153.5-175.7-64.9-178.6-177.7175.50112.3F206 D252 K256F206-K254 HydrophobicContact CE1-CG 4.25Å; F206-K254 HydrophobicContact CE2-CG 4.43Å; F206-K254 HydrophobicContact CZ-CG 3.98Å; F206-K254 CarbonylContact O-C 3.57Å; F206-K254 WeakPolarHBondContact O-CA 3.26Å; D252-K254 PolarHBondContact O-N 2.72Å; K254-K256 PolarHBondContact O-N 3.11Å
255A71.8Confident72.6Confident28 Ų2860.2 Ų60.223%0.23133%0.325CS..EExtended strand (participates in β ladder)trans-54.4128.6170.600000113F206 V246 L248 V258F206-A255 PolarHBondContact O-N 3.36Å; V246-A255 HydrophobicContact CG1-CB 3.98Å; L248-A255 HydrophobicContact CD2-CB 3.38Å; A255-V258 HydrophobicContact CB-CG2 3.94Å
256K69.5Low73.2Confident84 Ų8461.7 Ų61.737%0.36533%0.334SS..EExtended strand (participates in β ladder)trans-83.1-44176.5-74.3-160.6177.3-1770112.6Q247 E249 D252 K254Q247-K256 PolarHBondContact O-N 3.21Å; Q247-K256 VanDerWaalsContact O-N 3.12Å; E249-K256 HydrophobicContact CB-CD 3.77Å; E249-K256 HydrophobicContact CB-CG 4.25Å; E249-K256 HydrophobicContact CG-CD 3.9Å; E249-K256 VanDerWaalsContact OE2-CD 3.29Å; E249-K256 WeakPolarHBondContact OE2-CD 2.98Å; E249-K256 WeakPolarHBondContact OE2-CE 3.42Å; E249-K256 IonicContact OE2-NZ 3.62Å; E249-K256 PolarHBondContact OE2-NZ 3.03Å; D252-K256 WeakPolarHBondContact OD2-CE 3.23Å; D252-K256 IonicContact OD2-NZ 3.35Å; D252-K256 PolarHBondContact OD2-NZ 3.01Å; K254-K256 PolarHBondContact O-N 3.11Å
257N72.2Confident74Confident84 Ų8462.2 Ų62.245%0.44934%0.337SS..EExtended strand (participates in β ladder)trans-135.3127.5-177.8-70.6-63.4000110.5Q247Q247-N257 HydrophobicContact CB-CB 4.13Å; Q247-N257 PolarHBondContact N-O 3.36Å; Q247-N257 PolarHBondContact O-N 3.45Å
258V77.2Confident75Confident72 Ų7261.3 Ų61.344%0.43633%0.333SS..EExtended strand (participates in β ladder)trans-121.8103.5176.6-178.20000107.9T244 Y245 V246 A255T244-V258 HydrophobicContact CG2-CG1 3.26Å; Y245-V258 CarbonylContact O-C 3.55Å; Y245-V258 WeakPolarHBondContact O-CA 3.11Å; V246-V258 HydrophobicContact CG1-CG2 4.47Å; A255-V258 HydrophobicContact CB-CG2 3.94Å
259I76.9Confident75.9Confident40 Ų4061.5 Ų61.521%0.20533%0.334CS..EExtended strand (participates in β ladder)trans-91.6127.3176.3-60.3169.8000107.6I5 Y245 L261I5-I259 HydrophobicContact CB-CD1 4.46Å; I5-I259 HydrophobicContact CG2-CD1 3.95Å; I5-I259 HydrophobicContact CG2-CG2 4.31Å; Y245-I259 HydrophobicContact CD1-CB 4.04Å; Y245-I259 HydrophobicContact CD1-CD1 3.92Å; Y245-I259 HydrophobicContact CD1-CG1 4.24Å; Y245-I259 HydrophobicContact CE1-CD1 4.17Å; Y245-I259 PolarHBondContact N-O 3.32Å; Y245-I259 PolarHBondContact O-N 3.26Å; I259-L261 HydrophobicContact CG2-CD2 4.44Å
260T82.9Confident77.5Confident47 Ų4758.8 Ų58.829%0.28832%0.321SS..EExtended strand (participates in β ladder)trans-106.4113.2-178.7-58.80000109.2V242 R262V242-T260 HydrophobicContact CB-CG2 3.44Å; V242-T260 VanDerWaalsContact CB-CG2 3.44Å; V242-T260 HydrophobicContact CG1-CG2 3.2Å; V242-T260 HydrophobicContact CG2-CG2 3.9Å; T260-R262 HydrophobicContact CG2-CG 3.97Å
261L82.1Confident79.3Confident5 Ų557 Ų573%0.02631%0.312CS..EExtended strand (participates in β ladder)trans-83118.4172-55.7178.1000108.6F8 V242 V243 I259 I280 F292F8-L261 HydrophobicContact CB-CD2 3.84Å; V242-L261 CarbonylContact C-O 3.59Å; V242-L261 WeakPolarHBondContact CA-O 3.3Å; V242-L261 WeakPolarHBondContact CB-O 3.43Å; V243-L261 HydrophobicContact CB-CB 4.23Å; V243-L261 HydrophobicContact CB-CD1 4.46Å; V243-L261 HydrophobicContact CG1-CD1 4.19Å; V243-L261 PolarHBondContact N-O 2.92Å; V243-L261 WeakPolarHBondContact O-CB 3.43Å; V243-L261 PolarHBondContact O-N 3.05Å; I259-L261 HydrophobicContact CG2-CD2 4.44Å; L261-I280 HydrophobicContact CD1-CD1 4.01Å; L261-I280 HydrophobicContact CD1-CG2 4.38Å; L261-F292 HydrophobicContact CB-CD1 3.8Å; L261-F292 HydrophobicContact CB-CE1 3.63Å; L261-F292 HydrophobicContact CB-CG 4.35Å; L261-F292 HydrophobicContact CB-CZ 4.02Å; L261-F292 HydrophobicContact CD1-CB 4.07Å; L261-F292 HydrophobicContact CD1-CD1 4.1Å; L261-F292 HydrophobicContact CD1-CD2 4.08Å; L261-F292 HydrophobicContact CD1-CG 3.82Å; L261-F292 HydrophobicContact CD2-CD1 4.48Å; L261-F292 HydrophobicContact CG-CD1 4.34Å
262R85.7Confident81.1Confident124 Ų12451.5 Ų51.547%0.46828%0.277SS..  trans-105.8-167.5-168.4-62.7177.2-176.4-88.8-1111.8V242 T260 L264V242-R262 HydrophobicContact CG1-CG 3.93Å; T260-R262 HydrophobicContact CG2-CG 3.97Å; R262-L264 PolarHBondContact O-N 3.17Å
263D83.7Confident82.6Confident125 Ų12548.4 Ų48.467%0.66826%0.259SS*.  trans64.422171.9-48.3-38.2000115.1Y10Y10-D263 HydrophobicContact CG-CB 4.44Å
264L84Confident83.5Confident14 Ų1444.1 Ų44.17%0.07324%0.236CC..  trans-78.2131.6171.1-73.2170.4000111.3Y10 R241 V243 R262 T266 S290 F292Y10-L264 HydrophobicContact CD2-CD2 4.2Å; Y10-L264 HydrophobicContact CE2-CD2 4.23Å; R241-L264 HydrophobicContact CB-CB 3.89Å; R241-L264 WeakPolarHBondContact CB-O 3.25Å; V243-L264 HydrophobicContact CB-CD1 4.47Å; V243-L264 HydrophobicContact CG2-CD1 3.78Å; R262-L264 PolarHBondContact O-N 3.17Å; L264-T266 VanDerWaalsContact C-N 3.29Å; L264-S290 WeakPolarHBondContact CD2-OG 3.25Å; L264-F292 HydrophobicContact CD1-CZ 3.87Å; L264-F292 HydrophobicContact CD2-CE2 4.13Å; L264-F292 HydrophobicContact CD2-CZ 3.57Å; L264-F292 HydrophobicContact CG-CE1 4.48Å; L264-F292 HydrophobicContact CG-CZ 3.67Å
265A81.1Confident83.7Confident75 Ų7539 Ų3962%0.6222%0.219SC*.SBendtrans-72.8-22.816900000112.9
266T86Confident84Confident31 Ų3140.6 Ų40.619%0.1923%0.225CC..SBendtrans-146.1154.2-172.553.80000111L264 N284L264-T266 VanDerWaalsContact C-N 3.29Å; T266-N284 WeakPolarHBondContact OG1-CB 3.26Å; T266-N284 PolarHBondContact OG1-ND2 3.33Å
267V89.1Confident84.6Confident12 Ų1239.1 Ų39.17%0.07322%0.221CC..  trans-65.6131.8176.11790000110.8F220 M237 R241 F269 N284F220-V267 HydrophobicContact CE1-CG1 3.48Å; F220-V267 VanDerWaalsContact CE1-CG1 3.48Å; F220-V267 HydrophobicContact CZ-CG1 3.73Å; M237-V267 HydrophobicContact SD-CG1 4.25Å; M237-V267 HydrophobicContact SD-CG2 3.94Å; R241-V267 HydrophobicContact CG-CG2 4.43Å; V267-F269 HydrophobicContact CB-CE1 4.32Å; V267-F269 HydrophobicContact CB-CE2 4.16Å; V267-F269 HydrophobicContact CB-CZ 3.92Å; V267-F269 HydrophobicContact CG1-CD1 4.03Å; V267-F269 HydrophobicContact CG1-CE1 3.71Å; V267-F269 HydrophobicContact CG1-CE2 4.21Å; V267-F269 HydrophobicContact CG1-CG 4.43Å; V267-F269 HydrophobicContact CG1-CZ 3.82Å; V267-N284 WeakPolarHBondContact O-CA 3.27Å; V267-N284 WeakPolarHBondContact O-CB 3.45Å
268C91.4Very high85.2Confident0 Ų036.9 Ų36.90%021%0.212CC..EExtended strand (participates in β ladder)trans-92.1116.5168.8-63.60000109.2G235 V243 N271 G282 G283G235-C268 VanDerWaalsContact CA-O 3.32Å; G235-C268 WeakPolarHBondContact CA-O 3.4Å; V243-C268 HydrophobicContact CG2-CB 3.73Å; C268-N271 WeakPolarHBondContact CB-OD1 3.01Å; C268-G282 VanDerWaalsContact SG-C 3.57Å; C268-G282 PolarHBondContact SG-O 3.07Å; C268-G283 CarbonylContact C-O 3.6Å; C268-G283 VanDerWaalsContact CA-O 3.24Å; C268-G283 WeakPolarHBondContact CA-O 3.4Å
269F88.1Confident85.7Confident6 Ų633.7 Ų33.73%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-90.4-29-175.4-62.8-80.1000113V213 L217 T218 F220 R221 V267 G283V213-F269 HydrophobicContact CG1-CD1 3.98Å; V213-F269 HydrophobicContact CG1-CE1 3.51Å; L217-F269 HydrophobicContact CB-CE1 4.22Å; L217-F269 HydrophobicContact CD1-CE1 4.21Å; L217-F269 HydrophobicContact CD1-CZ 4.13Å; T218-F269 HydrophobicContact CG2-CB 4.23Å; T218-F269 WeakPolarHBondContact O-CD1 3.2Å; F220-F269 HydrophobicContact CD1-CD1 4.43Å; F220-F269 HydrophobicContact CE1-CD1 4.08Å; R221-F269 PolarHBondContact N-O 2.85Å; R221-F269 VanDerWaalsContact N-O 3.15Å; V267-F269 HydrophobicContact CB-CE1 4.32Å; V267-F269 HydrophobicContact CB-CE2 4.16Å; V267-F269 HydrophobicContact CB-CZ 3.92Å; V267-F269 HydrophobicContact CG1-CD1 4.03Å; V267-F269 HydrophobicContact CG1-CE1 3.71Å; V267-F269 HydrophobicContact CG1-CE2 4.21Å; V267-F269 HydrophobicContact CG1-CG 4.43Å; V267-F269 HydrophobicContact CG1-CZ 3.82Å; F269-G283 PolarHBondContact N-O 2.86Å
270T91.8Very high86.4Confident7 Ų731.8 Ų31.84%0.04318%0.183CC..EExtended strand (participates in β ladder)trans-128.8143.6175.4-179.40000108I21 I24 G282 G283I21-T270 HydrophobicContact CG2-CG2 3.74Å; I24-T270 HydrophobicContact CD1-CG2 3.94Å; I24-T270 HydrophobicContact CG1-CG2 3.85Å; T270-G282 CarbonylContact O-C 3.6Å; T270-G282 WeakPolarHBondContact O-CA 3.47Å; T270-G283 PolarHBondContact O-N 3.45Å
271N93.8Very high86.9Confident2 Ų229.6 Ų29.61%0.01117%0.169CC..EExtended strand (participates in β ladder)trans-135.9161.7-178-49.5-76.7000109.2V223 I233 G235 V243 C268 V281 G282V223-N271 WeakPolarHBondContact CG2-O 3.38Å; I233-N271 HydrophobicContact CD1-CB 3.5Å; I233-N271 HydrophobicContact CG1-CB 4.01Å; G235-N271 PolarHBondContact N-ND2 2.8Å; G235-N271 VanDerWaalsContact N-ND2 3.11Å; V243-N271 WeakPolarHBondContact CG2-OD1 3.31Å; C268-N271 WeakPolarHBondContact CB-OD1 3.01Å; N271-V281 CarbonylContact C-O 3.56Å; N271-V281 WeakPolarHBondContact CA-O 3.29Å; N271-V281 WeakPolarHBondContact CB-O 3.24Å; N271-G282 WeakPolarHBondContact OD1-CA 3.33Å
272A92.9Very high87.4Confident11 Ų1129.3 Ų29.39%0.09117%0.168CC..EExtended strand (participates in β ladder)trans-145.6147.8171.400000110.4I24 V26 V281I24-A272 HydrophobicContact CG2-CB 3.86Å; V26-A272 HydrophobicContact CG2-CB 3.87Å; A272-V281 HydrophobicContact CB-CG2 3.84Å; A272-V281 PolarHBondContact N-O 3.38Å; A272-V281 WeakPolarHBondContact O-CG2 3.05Å; A272-V281 PolarHBondContact O-N 2.83Å
273F90.7Very high87.9Confident15 Ų1523.4 Ų23.47%0.06615%0.146CC..EExtended strand (participates in β ladder)trans-82.3138.3164.6-67.5-82.3000109.1L1 I5 V223 W224 H225 P226 I233 Y245 I280L1-F273 HydrophobicContact CD2-CD1 4.47Å; I5-F273 HydrophobicContact CD1-CE1 4.4Å; V223-F273 HydrophobicContact CG1-CD2 4.49Å; W224-F273 WeakPolarHBondContact O-CD2 3.47Å; W224-F273 WeakPolarHBondContact O-CE2 3.43Å; H225-F273 VanDerWaalsContact CA-CE2 3.44Å; H225-F273 HydrophobicContact CB-CD2 4.45Å; H225-F273 HydrophobicContact CB-CE2 3.93Å; H225-F273 HydrophobicContact CB-CZ 3.98Å; H225-F273 AromaticContact CD2-CD1 3.91Å; H225-F273 AromaticContact CD2-CE1 3.79Å; P226-F273 HydrophobicContact CG-CB 4.3Å; I233-F273 HydrophobicContact CB-CE2 4.21Å; I233-F273 HydrophobicContact CB-CZ 4.06Å; I233-F273 HydrophobicContact CD1-CD1 4.42Å; I233-F273 HydrophobicContact CD1-CD2 3.81Å; I233-F273 HydrophobicContact CD1-CE1 4.3Å; I233-F273 HydrophobicContact CD1-CE2 3.69Å; I233-F273 HydrophobicContact CD1-CG 4.21Å; I233-F273 HydrophobicContact CD1-CZ 3.98Å; I233-F273 HydrophobicContact CG1-CD2 4.11Å; I233-F273 HydrophobicContact CG1-CE2 3.52Å; I233-F273 HydrophobicContact CG1-CZ 3.85Å; I233-F273 HydrophobicContact CG2-CE1 3.77Å; I233-F273 HydrophobicContact CG2-CE2 3.95Å; I233-F273 HydrophobicContact CG2-CZ 3.3Å; Y245-F273 HydrophobicContact CD2-CE1 4.12Å; Y245-F273 HydrophobicContact CD2-CZ 4.11Å; Y245-F273 AromaticContact CE2-CE1 3.86Å; Y245-F273 HydrophobicContact CE2-CE1 3.86Å; Y245-F273 AromaticContact CE2-CZ 3.88Å; Y245-F273 HydrophobicContact CE2-CZ 3.88Å; F273-I280 HydrophobicContact CD1-CD1 4.2Å; F273-I280 HydrophobicContact CD1-CG1 3.72Å; F273-I280 HydrophobicContact CE1-CD1 3.86Å; F273-I280 HydrophobicContact CE1-CG1 3.9Å
274H88.3Confident88.3Confident3 Ų317.5 Ų17.51%0.01411%0.114CC..  trans-70.8138.1163.5-166.2-70.4000109.6N31 G32 T276 L277 V279N31-H274 VanDerWaalsContact C-CE1 3.47Å; N31-H274 PolarHBondContact O-CE1 3.16Å; N31-H274 VanDerWaalsContact O-CE1 3.24Å; N31-H274 PolarHBondContact O-NE2 3Å; G32-H274 WeakPolarHBondContact CA-CE1 3.38Å; G32-H274 VanDerWaalsContact CA-NE2 3.27Å; G32-H274 WeakPolarHBondContact CA-NE2 3.41Å; G32-H274 PolarHBondContact N-CE1 3.28Å; G32-H274 PolarHBondContact O-NE2 3.04Å; G32-H274 VanDerWaalsContact O-NE2 3.14Å; H274-T276 VanDerWaalsContact C-N 3.32Å; H274-T276 PolarHBondContact CE1-OG1 2.85Å; H274-T276 PolarHBondContact ND1-N 2.91Å; H274-T276 PolarHBondContact O-N 3.42Å; H274-L277 HydrophobicContact CB-CB 4.42Å; H274-L277 VanDerWaalsContact CE1-CD1 3.5Å; H274-L277 WeakPolarHBondContact CE1-CD1 3.35Å; H274-L277 WeakPolarHBondContact CE1-CG 3.43Å; H274-L277 WeakPolarHBondContact ND1-CB 3.43Å; H274-L277 PolarHBondContact ND1-N 3.31Å; H274-L277 WeakPolarHBondContact NE2-CD1 3.11Å; H274-V279 HydrophobicContact CB-CB 3.85Å; H274-V279 WeakPolarHBondContact CB-O 3.32Å; H274-V279 PolarHBondContact N-O 2.57Å
275S79Confident88.7Confident35 Ų3519 Ų1925%0.24513%0.126CC..SBendtrans-65.4-32.5-170.251.20000113.9
276T78Confident89.3Confident61 Ų6118 Ų1837%0.37411%0.114SC..SBendtrans-129.6-47.5-173.653.40000114.2E30 H274E30-T276 WeakPolarHBondContact O-CB 3.38Å; E30-T276 WeakPolarHBondContact O-CG2 3.38Å; E30-T276 PolarHBondContact O-OG1 3.09Å; H274-T276 VanDerWaalsContact C-N 3.32Å; H274-T276 PolarHBondContact CE1-OG1 2.85Å; H274-T276 PolarHBondContact ND1-N 2.91Å; H274-T276 PolarHBondContact O-N 3.42Å
277L81.2Confident89.7Confident53 Ų5316.5 Ų16.528%0.27711%0.105SC..SBendtrans-66.1145.4174-53.2174.2000110.2I52 H274 V279I52-L277 HydrophobicContact CD1-CB 4.1Å; I52-L277 HydrophobicContact CD1-CD1 3.56Å; I52-L277 HydrophobicContact CD1-CG 4.29Å; I52-L277 HydrophobicContact CG1-CD1 4.29Å; H274-L277 HydrophobicContact CB-CB 4.42Å; H274-L277 VanDerWaalsContact CE1-CD1 3.5Å; H274-L277 WeakPolarHBondContact CE1-CD1 3.35Å; H274-L277 WeakPolarHBondContact CE1-CG 3.43Å; H274-L277 WeakPolarHBondContact ND1-CB 3.43Å; H274-L277 PolarHBondContact ND1-N 3.31Å; H274-L277 WeakPolarHBondContact NE2-CD1 3.11Å; L277-V279 HydrophobicContact CB-CG2 4.02Å; L277-V279 PolarHBondContact O-N 2.96Å
278S84.7Confident90Very high37 Ų3719 Ų1926%0.25911%0.113SC..SBendtrans-75.267.9172.6-68.30000110Q4 F8Q4-S278 PolarHBondContact OE1-OG 2.78Å; F8-S278 WeakPolarHBondContact CZ-O 3.22Å
279V88Confident90.2Very high4 Ų419 Ų192%0.02411%0.113CC..  trans-134.2139.7-177.6177.90000111I52 H274 L277 V281 F291 F292 A293I52-V279 HydrophobicContact CD1-CG2 3.27Å; I52-V279 HydrophobicContact CG1-CG2 3.97Å; I52-V279 HydrophobicContact CG2-CG2 4.44Å; H274-V279 HydrophobicContact CB-CB 3.85Å; H274-V279 WeakPolarHBondContact CB-O 3.32Å; H274-V279 PolarHBondContact N-O 2.57Å; L277-V279 HydrophobicContact CB-CG2 4.02Å; L277-V279 PolarHBondContact O-N 2.96Å; V279-V281 HydrophobicContact CG1-CG1 4.01Å; V279-F291 HydrophobicContact CG1-CD1 4.1Å; V279-F292 CarbonylContact C-O 3.56Å; V279-F292 VanDerWaalsContact CA-O 3.26Å; V279-F292 WeakPolarHBondContact CA-O 3.47Å; V279-A293 HydrophobicContact CG2-CB 3.97Å
280I91.5Very high90.5Very high0 Ų018.8 Ų18.80%011%0.113CC..EExtended strand (participates in β ladder)trans-116.8139.4166.6-68.7162000108.2I5 F8 I233 Y245 L261 F273 F292I5-I280 HydrophobicContact CD1-CD1 4.41Å; I5-I280 HydrophobicContact CG1-CD1 4.49Å; F8-I280 HydrophobicContact CD2-CD1 3.91Å; F8-I280 HydrophobicContact CD2-CG1 4.28Å; F8-I280 HydrophobicContact CE2-CD1 3.89Å; F8-I280 HydrophobicContact CE2-CG1 3.96Å; I233-I280 HydrophobicContact CD1-CG2 3.88Å; I233-I280 HydrophobicContact CG2-CD1 4.2Å; Y245-I280 HydrophobicContact CD2-CD1 4.36Å; L261-I280 HydrophobicContact CD1-CD1 4.01Å; L261-I280 HydrophobicContact CD1-CG2 4.38Å; F273-I280 HydrophobicContact CD1-CD1 4.2Å; F273-I280 HydrophobicContact CD1-CG1 3.72Å; F273-I280 HydrophobicContact CE1-CD1 3.86Å; F273-I280 HydrophobicContact CE1-CG1 3.9Å; I280-F292 HydrophobicContact CB-CB 4.33Å; I280-F292 HydrophobicContact CG2-CD2 4.43Å; I280-F292 PolarHBondContact N-O 2.95Å; I280-F292 PolarHBondContact O-N 2.96Å
281V93.5Very high90.5Very high1 Ų118.5 Ų18.51%0.00611%0.111CC..EExtended strand (participates in β ladder)trans-120.2148176-630000112.1I24 V26 I35 N271 A272 V279 I289 S290 F291I24-V281 HydrophobicContact CG2-CG2 4.06Å; V26-V281 HydrophobicContact CG2-CG2 4.39Å; I35-V281 HydrophobicContact CD1-CB 4.36Å; I35-V281 HydrophobicContact CD1-CG1 3.59Å; I35-V281 HydrophobicContact CD1-CG2 4.16Å; N271-V281 CarbonylContact C-O 3.56Å; N271-V281 WeakPolarHBondContact CA-O 3.29Å; N271-V281 WeakPolarHBondContact CB-O 3.24Å; A272-V281 HydrophobicContact CB-CG2 3.84Å; A272-V281 PolarHBondContact N-O 3.38Å; A272-V281 WeakPolarHBondContact O-CG2 3.05Å; A272-V281 PolarHBondContact O-N 2.83Å; V279-V281 HydrophobicContact CG1-CG1 4.01Å; V281-I289 HydrophobicContact CB-CG2 3.71Å; V281-I289 HydrophobicContact CG1-CG2 4.05Å; V281-S290 CarbonylContact C-O 3.35Å; V281-S290 VanDerWaalsContact CA-O 3.25Å; V281-S290 WeakPolarHBondContact CA-O 3.47Å; V281-F291 HydrophobicContact CG1-CD1 3.42Å; V281-F291 VanDerWaalsContact CG1-CD1 3.42Å; V281-F291 HydrophobicContact CG1-CE1 3.51Å; V281-F291 HydrophobicContact CG1-CG 4.18Å; V281-F291 HydrophobicContact CG1-CZ 4.34Å
282G94.1Very high90.4Very high0 Ų018.4 Ų18.40%011%0.11CC..EExtended strand (participates in β ladder)trans-138.9127.1179.900000113C268 T270 N271 I289 S290C268-G282 VanDerWaalsContact SG-C 3.57Å; C268-G282 PolarHBondContact SG-O 3.07Å; T270-G282 CarbonylContact O-C 3.6Å; T270-G282 WeakPolarHBondContact O-CA 3.47Å; N271-G282 WeakPolarHBondContact OD1-CA 3.33Å; G282-I289 WeakPolarHBondContact O-CA 3.47Å; G282-S290 PolarHBondContact N-O 3.16Å; G282-S290 PolarHBondContact O-N 2.68Å
283G94.5Very high90.2Very high0 Ų019.3 Ų19.30%012%0.118CC..EExtended strand (participates in β ladder)trans-96.2136.2-178.800000113.5I24 C268 F269 T270 Y288I24-G283 VanDerWaalsContact CD1-N 3.33Å; C268-G283 CarbonylContact C-O 3.6Å; C268-G283 VanDerWaalsContact CA-O 3.24Å; C268-G283 WeakPolarHBondContact CA-O 3.4Å; F269-G283 PolarHBondContact N-O 2.86Å; T270-G283 PolarHBondContact O-N 3.45Å; G283-Y288 WeakPolarHBondContact CA-O 3.31Å
284N93.2Very high90.2Very high0 Ų019.5 Ų19.50%012%0.12CC..EExtended strand (participates in β ladder)trans-110.6-176.9-175.179.35.3000114.8I21 T266 V267 S286 G287 Y288I21-N284 PolarHBondContact N-O 3.15Å; T266-N284 WeakPolarHBondContact OG1-CB 3.26Å; T266-N284 PolarHBondContact OG1-ND2 3.33Å; V267-N284 WeakPolarHBondContact O-CA 3.27Å; V267-N284 WeakPolarHBondContact O-CB 3.45Å; N284-S286 PolarHBondContact O-N 3.34Å; N284-S286 WeakPolarHBondContact OD1-CA 3.25Å; N284-S286 PolarHBondContact OD1-N 2.78Å; N284-G287 PolarHBondContact OD1-N 3.25Å; N284-G287 VanDerWaalsContact OD1-N 3.09Å; N284-Y288 PolarHBondContact N-O 2.9Å; N284-Y288 PolarHBondContact OD1-N 3.36Å; N284-Y288 PolarHBondContact OD1-O 2.95Å
285S92Very high90.3Very high46 Ų4620.4 Ų20.432%0.32213%0.126SC..THydrogen-bonded Turntrans-73.7-5178.955.50000116.1R20R20-S285 VanDerWaalsContact CA-O 3.29Å; R20-S285 WeakPolarHBondContact CA-O 3.5Å; R20-S285 WeakPolarHBondContact CB-O 3.42Å; R20-S285 PolarHBondContact N-O 3.18Å
286S93.3Very high90.9Very high53 Ų5319.6 Ų19.637%0.37112%0.119SC..THydrogen-bonded Turntrans-120.211.1-172.5-54.20000113K15 N284K15-S286 WeakPolarHBondContact CE-O 3.34Å; N284-S286 PolarHBondContact O-N 3.34Å; N284-S286 WeakPolarHBondContact OD1-CA 3.25Å; N284-S286 PolarHBondContact OD1-N 2.78Å
287G95.3Very high91.7Very high0 Ų017.1 Ų17.10%010%0.104CC..SBendtrans85.712.6176.400000115V16 T17 S19 N284V16-G287 WeakPolarHBondContact CG2-O 3.12Å; V16-G287 PolarHBondContact N-O 2.92Å; T17-G287 PolarHBondContact N-O 2.87Å; T17-G287 WeakPolarHBondContact O-CA 3.32Å; S19-G287 WeakPolarHBondContact O-CA 3.47Å; S19-G287 PolarHBondContact O-N 2.85Å; N284-G287 PolarHBondContact OD1-N 3.25Å; N284-G287 VanDerWaalsContact OD1-N 3.09Å
288Y95.4Very high92.4Very high64 Ų6414.9 Ų14.925%0.2519%0.094SC..EExtended strand (participates in β ladder)trans-96.7140.4177.1-67.1-102.4000111.6R13 T14 K15 I21 G283 N284R13-Y288 HydrophobicContact CB-CD1 4.34Å; R13-Y288 HydrophobicContact CG-CD1 3.85Å; R13-Y288 HydrophobicContact CG-CE1 4.44Å; T14-Y288 VanDerWaalsContact O-CA 3.3Å; T14-Y288 WeakPolarHBondContact O-CA 3.34Å; K15-Y288 HydrophobicContact CB-CD1 3.84Å; K15-Y288 HydrophobicContact CB-CD2 4.46Å; K15-Y288 HydrophobicContact CB-CE1 3.6Å; K15-Y288 HydrophobicContact CB-CE2 4.25Å; K15-Y288 HydrophobicContact CB-CG 4.27Å; K15-Y288 HydrophobicContact CD-CD2 4.49Å; K15-Y288 HydrophobicContact CD-CE1 4.49Å; K15-Y288 HydrophobicContact CD-CE2 3.84Å; K15-Y288 HydrophobicContact CG-CD1 4.44Å; K15-Y288 HydrophobicContact CG-CD2 4.18Å; K15-Y288 HydrophobicContact CG-CE1 4.25Å; K15-Y288 HydrophobicContact CG-CE2 3.98Å; K15-Y288 HydrophobicContact CG-CG 4.41Å; I21-Y288 WeakPolarHBondContact CD1-O 2.9Å; G283-Y288 WeakPolarHBondContact CA-O 3.31Å; N284-Y288 PolarHBondContact N-O 2.9Å; N284-Y288 PolarHBondContact OD1-N 3.36Å; N284-Y288 PolarHBondContact OD1-O 2.95Å
289I95.2Very high92.9Very high0 Ų013.4 Ų13.40%08%0.083CC..EExtended strand (participates in β ladder)trans-97.4124.1160.1-68.8172.3000108R13 T14 V16 I21 I24 I35 A37 I47 V281 G282 F291R13-I289 CarbonylContact C-O 3.49Å; R13-I289 WeakPolarHBondContact CA-O 3.3Å; R13-I289 WeakPolarHBondContact CB-O 3.18Å; T14-I289 PolarHBondContact N-O 3.1Å; T14-I289 PolarHBondContact O-N 3.08Å; V16-I289 HydrophobicContact CB-CD1 4.39Å; V16-I289 HydrophobicContact CG1-CD1 4.03Å; V16-I289 HydrophobicContact CG1-CG1 4.44Å; V16-I289 HydrophobicContact CG2-CB 4.5Å; V16-I289 HydrophobicContact CG2-CD1 3.67Å; V16-I289 HydrophobicContact CG2-CG1 3.68Å; I21-I289 HydrophobicContact CD1-CG1 3.92Å; I24-I289 HydrophobicContact CD1-CD1 4.44Å; I24-I289 HydrophobicContact CD1-CG1 4.11Å; I35-I289 HydrophobicContact CB-CD1 4.47Å; I35-I289 HydrophobicContact CG2-CD1 3.7Å; A37-I289 HydrophobicContact CB-CD1 4Å; I47-I289 HydrophobicContact CG2-CD1 4.36Å; V281-I289 HydrophobicContact CB-CG2 3.71Å; V281-I289 HydrophobicContact CG1-CG2 4.05Å; G282-I289 WeakPolarHBondContact O-CA 3.47Å; I289-F291 HydrophobicContact CB-CE2 4.14Å; I289-F291 HydrophobicContact CB-CZ 4.43Å; I289-F291 HydrophobicContact CG2-CD2 4.15Å; I289-F291 HydrophobicContact CG2-CE1 4.32Å; I289-F291 HydrophobicContact CG2-CE2 3.64Å; I289-F291 HydrophobicContact CG2-CZ 3.72Å; I289-F291 WeakPolarHBondContact O-CE2 3.33Å
290S94.1Very high93.2Very high2 Ų214.1 Ų14.11%0.0149%0.087CC..EExtended strand (participates in β ladder)trans-92.1147.6168-62.30000110.6L264 V281 G282L264-S290 WeakPolarHBondContact CD2-OG 3.25Å; V281-S290 CarbonylContact C-O 3.35Å; V281-S290 VanDerWaalsContact CA-O 3.25Å; V281-S290 WeakPolarHBondContact CA-O 3.47Å; G282-S290 PolarHBondContact N-O 3.16Å; G282-S290 PolarHBondContact O-N 2.68Å
291F92.8Very high93.3Very high1 Ų115.2 Ų15.20%0.0049%0.094CC..EExtended strand (participates in β ladder)trans-121.1137.4-177-65.5-99.5000111.7R11 D12 I35 I47 V49 I55 V279 V281 I289R11-F291 PolarHBondContact N-O 3.1Å; D12-F291 PolarHBondContact O-N 2.98Å; I35-F291 HydrophobicContact CD1-CE1 3.8Å; I35-F291 HydrophobicContact CD1-CZ 4.32Å; I47-F291 HydrophobicContact CD1-CE2 4.33Å; I47-F291 HydrophobicContact CD1-CZ 4.07Å; I47-F291 HydrophobicContact CG2-CZ 4.44Å; V49-F291 HydrophobicContact CG1-CE1 3.66Å; V49-F291 HydrophobicContact CG1-CZ 3.84Å; I55-F291 HydrophobicContact CD1-CB 3.57Å; I55-F291 HydrophobicContact CD1-CD1 3.71Å; I55-F291 HydrophobicContact CD1-CD2 3.74Å; I55-F291 HydrophobicContact CD1-CE1 4.32Å; I55-F291 HydrophobicContact CD1-CE2 4.34Å; I55-F291 HydrophobicContact CD1-CG 3.4Å; I55-F291 HydrophobicContact CG1-CD1 4.4Å; I55-F291 HydrophobicContact CG1-CD2 4.28Å; I55-F291 HydrophobicContact CG1-CE2 4.42Å; I55-F291 HydrophobicContact CG1-CG 4.28Å; I55-F291 HydrophobicContact CG2-CD2 3.66Å; I55-F291 HydrophobicContact CG2-CE2 3.6Å; I55-F291 HydrophobicContact CG2-CG 4.44Å; I55-F291 HydrophobicContact CG2-CZ 4.36Å; V279-F291 HydrophobicContact CG1-CD1 4.1Å; V281-F291 HydrophobicContact CG1-CD1 3.42Å; V281-F291 VanDerWaalsContact CG1-CD1 3.42Å; V281-F291 HydrophobicContact CG1-CE1 3.51Å; V281-F291 HydrophobicContact CG1-CG 4.18Å; V281-F291 HydrophobicContact CG1-CZ 4.34Å; I289-F291 HydrophobicContact CB-CE2 4.14Å; I289-F291 HydrophobicContact CB-CZ 4.43Å; I289-F291 HydrophobicContact CG2-CD2 4.15Å; I289-F291 HydrophobicContact CG2-CE1 4.32Å; I289-F291 HydrophobicContact CG2-CE2 3.64Å; I289-F291 HydrophobicContact CG2-CZ 3.72Å; I289-F291 WeakPolarHBondContact O-CE2 3.33Å
292F91.4Very high93.3Very high0 Ų016.3 Ų16.30%010%0.101CC..EExtended strand (participates in β ladder)trans-125.3132.7173.8-58.9-89.1000109.7F8 K9 Y10 V243 L261 L264 V279 I280F8-F292 HydrophobicContact CD2-CB 4.28Å; K9-F292 VanDerWaalsContact O-CA 3.3Å; K9-F292 WeakPolarHBondContact O-CA 3.05Å; Y10-F292 HydrophobicContact CD2-CE1 4.05Å; Y10-F292 HydrophobicContact CD2-CZ 4.29Å; Y10-F292 HydrophobicContact CG-CE1 4.49Å; V243-F292 HydrophobicContact CG2-CE2 4.34Å; L261-F292 HydrophobicContact CB-CD1 3.8Å; L261-F292 HydrophobicContact CB-CE1 3.63Å; L261-F292 HydrophobicContact CB-CG 4.35Å; L261-F292 HydrophobicContact CB-CZ 4.02Å; L261-F292 HydrophobicContact CD1-CB 4.07Å; L261-F292 HydrophobicContact CD1-CD1 4.1Å; L261-F292 HydrophobicContact CD1-CD2 4.08Å; L261-F292 HydrophobicContact CD1-CG 3.82Å; L261-F292 HydrophobicContact CD2-CD1 4.48Å; L261-F292 HydrophobicContact CG-CD1 4.34Å; L264-F292 HydrophobicContact CD1-CZ 3.87Å; L264-F292 HydrophobicContact CD2-CE2 4.13Å; L264-F292 HydrophobicContact CD2-CZ 3.57Å; L264-F292 HydrophobicContact CG-CE1 4.48Å; L264-F292 HydrophobicContact CG-CZ 3.67Å; V279-F292 CarbonylContact C-O 3.56Å; V279-F292 VanDerWaalsContact CA-O 3.26Å; V279-F292 WeakPolarHBondContact CA-O 3.47Å; I280-F292 HydrophobicContact CB-CB 4.33Å; I280-F292 HydrophobicContact CG2-CD2 4.43Å; I280-F292 PolarHBondContact N-O 2.95Å; I280-F292 PolarHBondContact O-N 2.96Å
293A88.6Confident93.3Very high30 Ų3017.8 Ų17.825%0.24811%0.11CC..  trans-156.40-179.100000112K9 R11 I52 V279K9-A293 PolarHBondContact N-O 3.19Å; K9-A293 VanDerWaalsContact N-O 3.13Å; K9-A293 PolarHBondContact O-N 3.36Å; K9-A293 VanDerWaalsContact O-N 3.16Å; R11-A293 HydrophobicContact CG-CB 3.89Å; R11-A293 VanDerWaalsContact CZ-O 3.32Å; R11-A293 PolarHBondContact NE-O 3.09Å; R11-A293 PolarHBondContact NH2-O 3.18Å; I52-A293 HydrophobicContact CG2-CB 4.38Å; V279-A293 HydrophobicContact CG2-CB 3.97Å

Retrieved 293 of 293 residues in 77.2 ms (Link to these results)

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