A0A3B3UP36_9TELE Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A3B3UP36, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 352 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
1M38.6Very low66.1Low236 Ų236105.5 Ų105.5100%1.16359%0.592SS**  090.50-125156.979.500107S3M1-S3 PolarHBondContact O-N 3.38Å
2E40Very low68Low196 Ų196104.3 Ų104.392%0.91658%0.58SS**  trans-74.393180-75177.3132.400109.1S4E2-S4 VanDerWaalsContact C-N 3.31Å; E2-S4 PolarHBondContact O-N 2.99Å; E2-S4 VanDerWaalsContact O-N 3.15Å
3S48.7Very low69.9Low119 Ų119102.5 Ų102.583%0.83257%0.573SS**  trans-87.262.6-176.470.80000111.7M1M1-S3 PolarHBondContact O-N 3.38Å
4S57.2Low71.5Confident71 Ų7199.9 Ų99.950%0.49756%0.561SS.*  trans-132.5118162.979.50000107.9E2 K6E2-S4 VanDerWaalsContact C-N 3.31Å; E2-S4 PolarHBondContact O-N 2.99Å; E2-S4 VanDerWaalsContact O-N 3.15Å; S4-K6 PolarHBondContact O-N 3.42Å
5G60.4Low72.9Confident23 Ų2395 Ų9524%0.23753%0.533CS..  trans-7128175.900000113.7
6K68.3Low74.2Confident158 Ų15892.9 Ų92.969%0.68753%0.531SS*.SBendtrans-76.3139164.9-65.3-179.4179.7178.40107S4 S8S4-K6 PolarHBondContact O-N 3.42Å; K6-S8 PolarHBondContact O-N 2.79Å
7P69.9Low75.4Confident56 Ų5691.6 Ų91.636%0.36453%0.526SS..PPolyproline II helixtrans-54.7136.3170.524.9-32.8000108.4M12 V258P7-M12 HydrophobicContact CB-CG 3.93Å; P7-M12 HydrophobicContact CB-SD 3.86Å; P7-M12 HydrophobicContact CG-CG 3.94Å; P7-M12 HydrophobicContact CG-SD 3.75Å; P7-V258 HydrophobicContact CB-CG1 4.06Å
8S83.9Confident76.4Confident47 Ų4787.1 Ų87.133%0.32950%0.5SS..PPolyproline II helixtrans-60.7143.3178.2174.70000108.6K6 V10 E11 M12K6-S8 PolarHBondContact O-N 2.79Å; S8-V10 PolarHBondContact O-N 2.94Å; S8-V10 VanDerWaalsContact O-N 3.11Å; S8-V10 PolarHBondContact OG-N 3.03Å; S8-E11 PolarHBondContact N-OE2 2.9Å; S8-E11 WeakPolarHBondContact O-CB 3.3Å; S8-E11 PolarHBondContact O-N 2.81Å; S8-M12 PolarHBondContact O-N 2.91Å; S8-M12 VanDerWaalsContact O-N 3.08Å
9V85.9Confident77.4Confident117 Ų11785.2 Ų85.271%0.70949%0.493SS*.Hα-helixtrans-52.7-36.3176.4178.10000110.3M12 V13V9-M12 PolarHBondContact O-N 3.27Å; V9-V13 HydrophobicContact CG1-CG2 4.41Å; V9-V13 VanDerWaalsContact O-CG2 3.25Å; V9-V13 WeakPolarHBondContact O-CG2 3.39Å; V9-V13 PolarHBondContact O-N 2.63Å
10V86.9Confident78.3Confident99 Ų9983.8 Ų83.860%0.649%0.491SS*.Hα-helixtrans-63.7-44.8175.9-177.30000111.9S8 M12 V13 V14S8-V10 PolarHBondContact O-N 2.94Å; S8-V10 VanDerWaalsContact O-N 3.11Å; S8-V10 PolarHBondContact OG-N 3.03Å; V10-M12 VanDerWaalsContact C-N 3.32Å; V10-M12 PolarHBondContact O-N 2.95Å; V10-V13 PolarHBondContact O-N 2.55Å; V10-V14 HydrophobicContact CG1-CG2 4.4Å; V10-V14 VanDerWaalsContact O-CG2 3.29Å; V10-V14 WeakPolarHBondContact O-CG2 3.48Å; V10-V14 PolarHBondContact O-N 2.97Å
11E87.6Confident79.1Confident38 Ų3883 Ų8318%0.17849%0.485CS..Hα-helixtrans-61.6-41.5178.7-67.5165.4172.100110.9S8 L15 V258 K261S8-E11 PolarHBondContact N-OE2 2.9Å; S8-E11 WeakPolarHBondContact O-CB 3.3Å; S8-E11 PolarHBondContact O-N 2.81Å; E11-L15 WeakPolarHBondContact O-CB 3.42Å; E11-L15 PolarHBondContact O-N 3.34Å; E11-V258 HydrophobicContact CB-CG2 4.09Å; E11-K261 VanDerWaalsContact CD-NZ 3.32Å; E11-K261 IonicContact OE1-NZ 2.71Å; E11-K261 PolarHBondContact OE1-NZ 3.12Å; E11-K261 IonicContact OE2-NZ 2.74Å; E11-K261 PolarHBondContact OE2-NZ 2.9Å
12M88.6Confident81.9Confident92 Ų9273.1 Ų73.145%0.45344%0.438SS..Hα-helixtrans-67.1-41.1177.3-68.8-59.2-62.800112.5P7 S8 V9 V10 L15 A16P7-M12 HydrophobicContact CB-CG 3.93Å; P7-M12 HydrophobicContact CB-SD 3.86Å; P7-M12 HydrophobicContact CG-CG 3.94Å; P7-M12 HydrophobicContact CG-SD 3.75Å; S8-M12 PolarHBondContact O-N 2.91Å; S8-M12 VanDerWaalsContact O-N 3.08Å; V9-M12 PolarHBondContact O-N 3.27Å; V10-M12 VanDerWaalsContact C-N 3.32Å; V10-M12 PolarHBondContact O-N 2.95Å; M12-L15 PolarHBondContact O-N 3.46Å; M12-A16 VanDerWaalsContact O-CB 3.29Å; M12-A16 WeakPolarHBondContact O-CB 3.34Å; M12-A16 PolarHBondContact O-N 2.91Å
13V92.5Very high84.5Confident81 Ų8166.8 Ų66.849%0.49142%0.419SS..Hα-helixtrans-65.9-42.9177.1170.20000110.9V9 V10 A16 T17V9-V13 HydrophobicContact CG1-CG2 4.41Å; V9-V13 VanDerWaalsContact O-CG2 3.25Å; V9-V13 WeakPolarHBondContact O-CG2 3.39Å; V9-V13 PolarHBondContact O-N 2.63Å; V10-V13 PolarHBondContact O-N 2.55Å; V13-A16 PolarHBondContact O-N 3.19Å; V13-T17 HydrophobicContact CG1-CG2 4.29Å; V13-T17 WeakPolarHBondContact O-CB 3.39Å; V13-T17 VanDerWaalsContact O-CG2 3.27Å; V13-T17 WeakPolarHBondContact O-CG2 3.49Å; V13-T17 PolarHBondContact O-N 3.14Å; V13-T17 PolarHBondContact O-OG1 2.85Å
14V91.9Very high86.8Confident65 Ų6564.8 Ų64.839%0.39440%0.402SS..Hα-helixtrans-64.5-43.2177.6172.70000111.2V10 T17 S18 T254V10-V14 HydrophobicContact CG1-CG2 4.4Å; V10-V14 VanDerWaalsContact O-CG2 3.29Å; V10-V14 WeakPolarHBondContact O-CG2 3.48Å; V10-V14 PolarHBondContact O-N 2.97Å; V14-T17 WeakPolarHBondContact CA-OG1 3.33Å; V14-T17 PolarHBondContact O-OG1 2.81Å; V14-T17 VanDerWaalsContact O-OG1 3.09Å; V14-S18 VanDerWaalsContact O-CB 3.29Å; V14-S18 WeakPolarHBondContact O-CB 3.26Å; V14-S18 PolarHBondContact O-N 2.81Å; V14-S18 PolarHBondContact O-OG 3.35Å; V14-T254 HydrophobicContact CG1-CG2 4.12Å
15L92.9Very high88.6Confident27 Ų2762.9 Ų62.914%0.14139%0.385CS..Hα-helixtrans-64-44.5176.8179.462000111.7E11 M12 S18 S19 A251 L255E11-L15 WeakPolarHBondContact O-CB 3.42Å; E11-L15 PolarHBondContact O-N 3.34Å; M12-L15 PolarHBondContact O-N 3.46Å; L15-S18 PolarHBondContact O-OG 2.85Å; L15-S18 VanDerWaalsContact O-OG 3.12Å; L15-S19 VanDerWaalsContact O-CB 3.22Å; L15-S19 WeakPolarHBondContact O-CB 3.49Å; L15-S19 PolarHBondContact O-N 3.27Å; L15-S19 PolarHBondContact O-OG 3.18Å; L15-A251 WeakPolarHBondContact CD1-O 3.43Å; L15-L255 HydrophobicContact CD1-CB 3.96Å; L15-L255 HydrophobicContact CD2-CD1 3.97Å
16A93.8Very high90.3Very high62 Ų6267.6 Ų67.651%0.51240%0.396SS..Hα-helixtrans-64-46.1179.300000111.9M12 V13 A20M12-A16 VanDerWaalsContact O-CB 3.29Å; M12-A16 WeakPolarHBondContact O-CB 3.34Å; M12-A16 PolarHBondContact O-N 2.91Å; V13-A16 PolarHBondContact O-N 3.19Å; A16-A20 WeakPolarHBondContact O-CB 3.43Å; A16-A20 PolarHBondContact O-N 2.85Å
17T94.3Very high91.5Very high71 Ų7163.7 Ų63.744%0.43639%0.388SS..Hα-helixtrans-67.6-45.9-179.851.30000112.3V13 V14 S19 A20 L21V13-T17 HydrophobicContact CG1-CG2 4.29Å; V13-T17 WeakPolarHBondContact O-CB 3.39Å; V13-T17 VanDerWaalsContact O-CG2 3.27Å; V13-T17 WeakPolarHBondContact O-CG2 3.49Å; V13-T17 PolarHBondContact O-N 3.14Å; V13-T17 PolarHBondContact O-OG1 2.85Å; V14-T17 WeakPolarHBondContact CA-OG1 3.33Å; V14-T17 PolarHBondContact O-OG1 2.81Å; V14-T17 VanDerWaalsContact O-OG1 3.09Å; T17-S19 VanDerWaalsContact C-N 3.33Å; T17-S19 PolarHBondContact O-N 2.81Å; T17-A20 PolarHBondContact O-N 2.93Å; T17-L21 WeakPolarHBondContact O-CB 3.49Å; T17-L21 VanDerWaalsContact O-CG 3.32Å; T17-L21 WeakPolarHBondContact O-CG 3.42Å; T17-L21 PolarHBondContact O-N 3.49Å
18S94.2Very high92.6Very high9 Ų963.5 Ų63.56%0.06338%0.384CS..Hα-helixtrans-63.2-38.3176.957.10000112.5V14 L15 T22V14-S18 VanDerWaalsContact O-CB 3.29Å; V14-S18 WeakPolarHBondContact O-CB 3.26Å; V14-S18 PolarHBondContact O-N 2.81Å; V14-S18 PolarHBondContact O-OG 3.35Å; L15-S18 PolarHBondContact O-OG 2.85Å; L15-S18 VanDerWaalsContact O-OG 3.12Å; S18-T22 WeakPolarHBondContact O-CB 3.3Å; S18-T22 PolarHBondContact O-N 2.79Å; S18-T22 PolarHBondContact O-OG1 3.01Å
19S94.5Very high93.1Very high52 Ų5263.7 Ų63.736%0.36438%0.378SS..Hα-helixtrans-66.5-44.1175-59.30000111.9L15 T17 T22 A23L15-S19 VanDerWaalsContact O-CB 3.22Å; L15-S19 WeakPolarHBondContact O-CB 3.49Å; L15-S19 PolarHBondContact O-N 3.27Å; L15-S19 PolarHBondContact O-OG 3.18Å; T17-S19 VanDerWaalsContact C-N 3.33Å; T17-S19 PolarHBondContact O-N 2.81Å; S19-T22 WeakPolarHBondContact O-CB 3.09Å; S19-T22 PolarHBondContact O-N 3.32Å; S19-A23 PolarHBondContact O-N 2.77Å
20A96Very high93.5Very high56 Ų5666.4 Ų66.446%0.46338%0.375SS..Hα-helixtrans-63-45.4177.200000111.9A16 T17 T22 A23 V24A16-A20 WeakPolarHBondContact O-CB 3.43Å; A16-A20 PolarHBondContact O-N 2.85Å; T17-A20 PolarHBondContact O-N 2.93Å; A20-T22 VanDerWaalsContact C-N 3.33Å; A20-T22 PolarHBondContact O-N 3.33Å; A20-A23 PolarHBondContact O-N 2.71Å; A20-V24 WeakPolarHBondContact O-CG2 3.47Å; A20-V24 PolarHBondContact O-N 2.87Å
21L95.5Very high93.6Very high69 Ų6965.1 Ų65.136%0.36137%0.37SS..Hα-helixtrans-61.7-41.7175.7-72.3173.1000111.6T17 A23 V24 F25 F247T17-L21 WeakPolarHBondContact O-CB 3.49Å; T17-L21 VanDerWaalsContact O-CG 3.32Å; T17-L21 WeakPolarHBondContact O-CG 3.42Å; T17-L21 PolarHBondContact O-N 3.49Å; L21-A23 VanDerWaalsContact C-N 3.33Å; L21-A23 PolarHBondContact O-N 2.82Å; L21-V24 PolarHBondContact O-N 2.79Å; L21-F25 HydrophobicContact CB-CD2 4.46Å; L21-F25 HydrophobicContact CB-CE2 4.07Å; L21-F25 HydrophobicContact CB-CZ 4.43Å; L21-F25 HydrophobicContact CD2-CE1 4.47Å; L21-F25 HydrophobicContact CD2-CE2 4.48Å; L21-F25 HydrophobicContact CD2-CZ 4.02Å; L21-F25 WeakPolarHBondContact O-CB 3.3Å; L21-F25 VanDerWaalsContact O-CD2 3.32Å; L21-F25 WeakPolarHBondContact O-CD2 3.31Å; L21-F25 WeakPolarHBondContact O-CG 3.33Å; L21-F25 PolarHBondContact O-N 2.97Å; L21-F247 HydrophobicContact CB-CD1 3.94Å; L21-F247 HydrophobicContact CB-CE1 4.33Å; L21-F247 HydrophobicContact CB-CG 4.41Å; L21-F247 HydrophobicContact CD1-CD1 3.86Å; L21-F247 HydrophobicContact CD1-CE1 3.46Å; L21-F247 VanDerWaalsContact CD1-CE1 3.46Å; L21-F247 HydrophobicContact CD1-CZ 4.26Å
22T96.1Very high93.8Very high27 Ų2768.2 Ų68.217%0.16638%0.38CS..Hα-helixtrans-58.9-45.1174.8-57.90000111.2S18 S19 A20 F25 Y26 F247 G248S18-T22 WeakPolarHBondContact O-CB 3.3Å; S18-T22 PolarHBondContact O-N 2.79Å; S18-T22 PolarHBondContact O-OG1 3.01Å; S19-T22 WeakPolarHBondContact O-CB 3.09Å; S19-T22 PolarHBondContact O-N 3.32Å; A20-T22 VanDerWaalsContact C-N 3.33Å; A20-T22 PolarHBondContact O-N 3.33Å; T22-F25 PolarHBondContact O-N 3.12Å; T22-Y26 WeakPolarHBondContact O-CB 3.41Å; T22-Y26 PolarHBondContact O-N 2.98Å; T22-F247 WeakPolarHBondContact OG1-CB 3.42Å; T22-F247 PolarHBondContact OG1-O 3.36Å; T22-G248 PolarHBondContact OG1-N 2.89Å
23A95.8Very high93.9Very high63 Ų6365.9 Ų65.952%0.52137%0.371SS..Hα-helixtrans-63.3-43.8178.600000112.4S19 A20 L21 S27S19-A23 PolarHBondContact O-N 2.77Å; A20-A23 PolarHBondContact O-N 2.71Å; L21-A23 VanDerWaalsContact C-N 3.33Å; L21-A23 PolarHBondContact O-N 2.82Å; A23-S27 WeakPolarHBondContact O-CB 3.48Å; A23-S27 PolarHBondContact O-N 2.8Å
24V96.2Very high93.9Very high78 Ų7866 Ų6647%0.47337%0.365SS..Hα-helixtrans-63.3-49.9176.8172.80000110.8A20 L21 Y26 S27 I28A20-V24 WeakPolarHBondContact O-CG2 3.47Å; A20-V24 PolarHBondContact O-N 2.87Å; L21-V24 PolarHBondContact O-N 2.79Å; V24-Y26 VanDerWaalsContact C-N 3.34Å; V24-Y26 PolarHBondContact O-N 2.98Å; V24-S27 WeakPolarHBondContact O-CB 3.21Å; V24-S27 PolarHBondContact O-N 3.46Å; V24-I28 HydrophobicContact CG1-CD1 3.95Å; V24-I28 WeakPolarHBondContact O-CG1 3.37Å; V24-I28 PolarHBondContact O-N 3.42Å
25F95.6Very high93.8Very high31 Ų3163.9 Ų63.914%0.13635%0.352CS..Hα-helixtrans-65-38-179.2-62.7-18.9000112.3L21 T22 I28 Y29 W240 L243 F247L21-F25 HydrophobicContact CB-CD2 4.46Å; L21-F25 HydrophobicContact CB-CE2 4.07Å; L21-F25 HydrophobicContact CB-CZ 4.43Å; L21-F25 HydrophobicContact CD2-CE1 4.47Å; L21-F25 HydrophobicContact CD2-CE2 4.48Å; L21-F25 HydrophobicContact CD2-CZ 4.02Å; L21-F25 WeakPolarHBondContact O-CB 3.3Å; L21-F25 VanDerWaalsContact O-CD2 3.32Å; L21-F25 WeakPolarHBondContact O-CD2 3.31Å; L21-F25 WeakPolarHBondContact O-CG 3.33Å; L21-F25 PolarHBondContact O-N 2.97Å; T22-F25 PolarHBondContact O-N 3.12Å; F25-I28 PolarHBondContact O-N 3.32Å; F25-Y29 VanDerWaalsContact O-CB 3.23Å; F25-Y29 WeakPolarHBondContact O-CB 3.17Å; F25-Y29 PolarHBondContact O-N 3.21Å; F25-W240 HydrophobicContact CB-CE3 4.31Å; F25-W240 AromaticContact CD1-CE3 3.92Å; F25-W240 HydrophobicContact CD1-CE3 3.92Å; F25-W240 AromaticContact CD1-CZ3 3.4Å; F25-W240 HydrophobicContact CD1-CZ3 3.4Å; F25-W240 VanDerWaalsContact CD1-CZ3 3.4Å; F25-W240 AromaticContact CE1-CZ3 3.75Å; F25-W240 HydrophobicContact CE1-CZ3 3.75Å; F25-W240 HydrophobicContact CG-CE3 4.3Å; F25-W240 HydrophobicContact CG-CZ3 4.21Å; F25-L243 HydrophobicContact CD2-CB 3.94Å; F25-L243 HydrophobicContact CE2-CB 4.37Å; F25-L243 HydrophobicContact CG-CB 4.34Å; F25-F247 AromaticContact CD2-CD2 3.88Å; F25-F247 HydrophobicContact CD2-CD2 3.88Å; F25-F247 HydrophobicContact CD2-CE2 4.37Å; F25-F247 HydrophobicContact CD2-CG 4.25Å; F25-F247 AromaticContact CE2-CD2 3.54Å; F25-F247 HydrophobicContact CE2-CD2 3.54Å; F25-F247 AromaticContact CE2-CE2 3.6Å; F25-F247 HydrophobicContact CE2-CE2 3.6Å; F25-F247 HydrophobicContact CE2-CG 4.02Å; F25-F247 HydrophobicContact CE2-CZ 4.13Å
26Y94.9Very high93.8Very high122 Ų12263 Ų6348%0.47835%0.349SS..Hα-helixtrans-66-39.2174.8-176-103.9000112.1T22 V24 Y29 R30T22-Y26 WeakPolarHBondContact O-CB 3.41Å; T22-Y26 PolarHBondContact O-N 2.98Å; V24-Y26 VanDerWaalsContact C-N 3.34Å; V24-Y26 PolarHBondContact O-N 2.98Å; Y26-Y29 HydrophobicContact CD2-CD1 4.15Å; Y26-Y29 HydrophobicContact CE2-CD1 4.22Å; Y26-Y29 HydrophobicContact CE2-CE1 4.48Å; Y26-Y29 PolarHBondContact O-N 3.26Å; Y26-R30 VanDerWaalsContact O-CB 3.32Å; Y26-R30 WeakPolarHBondContact O-CB 3.47Å; Y26-R30 PolarHBondContact O-N 2.72Å
27S94.3Very high93.7Very high75 Ų7562.8 Ų62.852%0.52434%0.341SS..Hα-helixtrans-62.6-47175.6-175.30000111.7A23 V24 R30 S31A23-S27 WeakPolarHBondContact O-CB 3.48Å; A23-S27 PolarHBondContact O-N 2.8Å; V24-S27 WeakPolarHBondContact O-CB 3.21Å; V24-S27 PolarHBondContact O-N 3.46Å; S27-R30 PolarHBondContact O-N 3.02Å; S27-S31 PolarHBondContact O-N 2.91Å
28I93.4Very high93.5Very high53 Ų5361.2 Ų61.227%0.27233%0.329SS..Hα-helixtrans-63.7-44.7176.6-62.5167.3000110.5V24 F25 R30 S31 R32 W240V24-I28 HydrophobicContact CG1-CD1 3.95Å; V24-I28 WeakPolarHBondContact O-CG1 3.37Å; V24-I28 PolarHBondContact O-N 3.42Å; F25-I28 PolarHBondContact O-N 3.32Å; I28-R30 VanDerWaalsContact C-N 3.35Å; I28-R30 PolarHBondContact O-N 3.05Å; I28-S31 PolarHBondContact O-N 2.8Å; I28-R32 HydrophobicContact CG2-CG 4.22Å; I28-R32 WeakPolarHBondContact O-CB 3.41Å; I28-R32 VanDerWaalsContact O-CG 3.26Å; I28-R32 WeakPolarHBondContact O-CG 3.17Å; I28-R32 PolarHBondContact O-N 3.1Å; I28-W240 HydrophobicContact CB-CD2 4.2Å; I28-W240 HydrophobicContact CB-CE3 4.25Å; I28-W240 HydrophobicContact CD1-CE3 4.29Å; I28-W240 HydrophobicContact CD1-CH2 3.74Å; I28-W240 HydrophobicContact CD1-CZ2 4.24Å; I28-W240 HydrophobicContact CD1-CZ3 3.78Å; I28-W240 HydrophobicContact CG2-CD2 3.6Å; I28-W240 HydrophobicContact CG2-CE3 4.1Å; I28-W240 HydrophobicContact CG2-CG 3.91Å; I28-W240 HydrophobicContact CG2-CH2 4.4Å; I28-W240 HydrophobicContact CG2-CZ2 3.94Å; I28-W240 HydrophobicContact CG2-CZ3 4.48Å
29Y94.1Very high93.3Very high50 Ų5060.8 Ų60.820%0.19633%0.326CS..Hα-helixtrans-55.2-50174.4166.3-107.5000111.2F25 Y26 S31 R32 V33 V237 R241F25-Y29 VanDerWaalsContact O-CB 3.23Å; F25-Y29 WeakPolarHBondContact O-CB 3.17Å; F25-Y29 PolarHBondContact O-N 3.21Å; Y26-Y29 HydrophobicContact CD2-CD1 4.15Å; Y26-Y29 HydrophobicContact CE2-CD1 4.22Å; Y26-Y29 HydrophobicContact CE2-CE1 4.48Å; Y26-Y29 PolarHBondContact O-N 3.26Å; Y29-S31 PolarHBondContact O-N 2.83Å; Y29-R32 PolarHBondContact O-N 3.3Å; Y29-V33 HydrophobicContact CD1-CG2 4.49Å; Y29-V33 HydrophobicContact CD2-CG2 3.83Å; Y29-V33 HydrophobicContact CE1-CG2 4.13Å; Y29-V33 HydrophobicContact CE2-CG2 3.4Å; Y29-V33 HydrophobicContact CG-CG2 4.36Å; Y29-V33 WeakPolarHBondContact O-CB 3.41Å; Y29-V33 VanDerWaalsContact O-CG2 3.25Å; Y29-V33 WeakPolarHBondContact O-CG2 3.39Å; Y29-V33 PolarHBondContact O-N 3.19Å; Y29-V237 HydrophobicContact CD2-CG1 4.01Å; Y29-V237 HydrophobicContact CE2-CG1 3.59Å; Y29-R241 HydrophobicContact CD2-CB 3.7Å; Y29-R241 HydrophobicContact CD2-CG 4.33Å; Y29-R241 HydrophobicContact CE2-CB 3.49Å; Y29-R241 VanDerWaalsContact CE2-CB 3.49Å; Y29-R241 HydrophobicContact CE2-CG 3.77Å
30R93.7Very high93.2Very high175 Ų17565.2 Ų65.266%0.6634%0.339SS*.Hα-helixtrans-61.6-43.6-179.5-174.5179.7-179.6-173.10.7112Y26 S27 I28 V33 K34Y26-R30 VanDerWaalsContact O-CB 3.32Å; Y26-R30 WeakPolarHBondContact O-CB 3.47Å; Y26-R30 PolarHBondContact O-N 2.72Å; S27-R30 PolarHBondContact O-N 3.02Å; I28-R30 VanDerWaalsContact C-N 3.35Å; I28-R30 PolarHBondContact O-N 3.05Å; R30-V33 PolarHBondContact O-N 2.77Å; R30-K34 WeakPolarHBondContact O-CB 3.46Å; R30-K34 PolarHBondContact O-N 2.96Å
31S90Very high92.9Very high71 Ų7169.5 Ų69.550%0.49735%0.349SS..Hα-helixtrans-60.7-49.1175.4172.50000111.3S27 I28 Y29 V33 K34 T35S27-S31 PolarHBondContact O-N 2.91Å; I28-S31 PolarHBondContact O-N 2.8Å; Y29-S31 PolarHBondContact O-N 2.83Å; S31-V33 PolarHBondContact O-N 2.87Å; S31-K34 WeakPolarHBondContact O-CB 3.31Å; S31-K34 PolarHBondContact O-N 2.84Å; S31-T35 PolarHBondContact O-N 2.82Å; S31-T35 PolarHBondContact O-OG1 2.85Å
32R90.6Very high92.6Very high103 Ų10366.7 Ų66.739%0.38934%0.336SS..Hα-helixtrans-63.4-38.8178.9-68.6-71.6-174.4169.2-1.4113I28 Y29 T35 A36 V237I28-R32 HydrophobicContact CG2-CG 4.22Å; I28-R32 WeakPolarHBondContact O-CB 3.41Å; I28-R32 VanDerWaalsContact O-CG 3.26Å; I28-R32 WeakPolarHBondContact O-CG 3.17Å; I28-R32 PolarHBondContact O-N 3.1Å; Y29-R32 PolarHBondContact O-N 3.3Å; R32-T35 PolarHBondContact O-N 2.84Å; R32-A36 WeakPolarHBondContact O-CB 3.29Å; R32-A36 PolarHBondContact O-N 2.9Å; R32-V237 HydrophobicContact CB-CG2 3.75Å
33V92.5Very high92.3Very high43 Ų4371.2 Ų71.226%0.26135%0.353SS..Hα-helixtrans-61.8-48.6174.2169.90000110.1Y29 R30 S31 T35 A36 T37 V237Y29-V33 HydrophobicContact CD1-CG2 4.49Å; Y29-V33 HydrophobicContact CD2-CG2 3.83Å; Y29-V33 HydrophobicContact CE1-CG2 4.13Å; Y29-V33 HydrophobicContact CE2-CG2 3.4Å; Y29-V33 HydrophobicContact CG-CG2 4.36Å; Y29-V33 WeakPolarHBondContact O-CB 3.41Å; Y29-V33 VanDerWaalsContact O-CG2 3.25Å; Y29-V33 WeakPolarHBondContact O-CG2 3.39Å; Y29-V33 PolarHBondContact O-N 3.19Å; R30-V33 PolarHBondContact O-N 2.77Å; S31-V33 PolarHBondContact O-N 2.87Å; V33-T35 VanDerWaalsContact C-N 3.34Å; V33-T35 PolarHBondContact O-N 2.89Å; V33-A36 PolarHBondContact O-N 3.36Å; V33-A36 VanDerWaalsContact O-N 3.15Å; V33-T37 HydrophobicContact CG1-CG2 4.21Å; V33-T37 WeakPolarHBondContact O-CG2 3.4Å; V33-T37 PolarHBondContact O-N 3.45Å; V33-T37 PolarHBondContact O-OG1 2.88Å; V33-T37 VanDerWaalsContact O-OG1 3.13Å; V33-V237 HydrophobicContact CG2-CG1 3.49Å; V33-V237 VanDerWaalsContact CG2-CG1 3.49Å; V33-V237 HydrophobicContact CG2-CG2 4.18Å
34K91.7Very high92.1Very high85 Ų8573.3 Ų73.337%0.3735%0.351SS..Hα-helixtrans-57.4-46.4178.6-175.4-177.7176.3-172.20111.5R30 S31 A36 T37 H38 D216R30-K34 WeakPolarHBondContact O-CB 3.46Å; R30-K34 PolarHBondContact O-N 2.96Å; S31-K34 WeakPolarHBondContact O-CB 3.31Å; S31-K34 PolarHBondContact O-N 2.84Å; K34-A36 PolarHBondContact O-N 3.18Å; K34-T37 WeakPolarHBondContact CA-OG1 3.3Å; K34-T37 PolarHBondContact O-N 2.73Å; K34-T37 PolarHBondContact O-OG1 2.81Å; K34-H38 WeakPolarHBondContact CE-NE2 3.17Å; K34-H38 WeakPolarHBondContact CG-NE2 3.5Å; K34-H38 PolarHBondContact O-CD2 3.03Å; K34-H38 VanDerWaalsContact O-CG 3.28Å; K34-H38 PolarHBondContact O-N 2.89Å; K34-D216 IonicContact NZ-OD2 3.05Å; K34-D216 PolarHBondContact NZ-OD2 3.48Å
35T90.4Very high91.8Very high19 Ų1970.1 Ų70.112%0.11733%0.331CS..Hα-helixtrans-61.6-44.4175.8-54.70000111.8S31 R32 V33 H38 L39 C218 F220S31-T35 PolarHBondContact O-N 2.82Å; S31-T35 PolarHBondContact O-OG1 2.85Å; R32-T35 PolarHBondContact O-N 2.84Å; V33-T35 VanDerWaalsContact C-N 3.34Å; V33-T35 PolarHBondContact O-N 2.89Å; T35-H38 PolarHBondContact O-N 3.38Å; T35-L39 VanDerWaalsContact O-CB 3.32Å; T35-L39 WeakPolarHBondContact O-CB 3.48Å; T35-L39 PolarHBondContact O-N 2.82Å; T35-C218 HydrophobicContact CG2-CB 4.26Å; T35-F220 HydrophobicContact CG2-CE2 4.1Å; T35-F220 HydrophobicContact CG2-CZ 3.71Å
36A91.3Very high91.4Very high8 Ų871.8 Ų71.87%0.06635%0.347CS..Hα-helixtrans-68.3-36-179.500000113R32 V33 K34 K40 Q233 M234 V237R32-A36 WeakPolarHBondContact O-CB 3.29Å; R32-A36 PolarHBondContact O-N 2.9Å; V33-A36 PolarHBondContact O-N 3.36Å; V33-A36 VanDerWaalsContact O-N 3.15Å; K34-A36 PolarHBondContact O-N 3.18Å; A36-K40 WeakPolarHBondContact O-CB 3.43Å; A36-K40 PolarHBondContact O-N 3.26Å; A36-Q233 HydrophobicContact CB-CB 4.5Å; A36-M234 HydrophobicContact CB-CG 4.43Å; A36-V237 HydrophobicContact CB-CG2 4.37Å
37T91.9Very high91.1Very high58 Ų5866.2 Ų66.236%0.35633%0.325SS..Hα-helixtrans-67.4-46.1175.550.40000110.9V33 K34 L39 K40 E41V33-T37 HydrophobicContact CG1-CG2 4.21Å; V33-T37 WeakPolarHBondContact O-CG2 3.4Å; V33-T37 PolarHBondContact O-N 3.45Å; V33-T37 PolarHBondContact O-OG1 2.88Å; V33-T37 VanDerWaalsContact O-OG1 3.13Å; K34-T37 WeakPolarHBondContact CA-OG1 3.3Å; K34-T37 PolarHBondContact O-N 2.73Å; K34-T37 PolarHBondContact O-OG1 2.81Å; T37-L39 VanDerWaalsContact C-N 3.34Å; T37-L39 PolarHBondContact O-N 3Å; T37-K40 WeakPolarHBondContact O-CB 3.37Å; T37-K40 PolarHBondContact O-N 3.19Å; T37-K40 VanDerWaalsContact O-N 3.15Å; T37-E41 WeakPolarHBondContact O-CG 3.43Å; T37-E41 PolarHBondContact O-N 3.49Å
38H90.9Very high90.7Very high39 Ų3965.6 Ų65.618%0.18132%0.316CS..Hα-helixtrans-63.9-40176.6-66.7-40.8000112.1K34 T35 K40 E41 A42 Y65 F217K34-H38 WeakPolarHBondContact CE-NE2 3.17Å; K34-H38 WeakPolarHBondContact CG-NE2 3.5Å; K34-H38 PolarHBondContact O-CD2 3.03Å; K34-H38 VanDerWaalsContact O-CG 3.28Å; K34-H38 PolarHBondContact O-N 2.89Å; T35-H38 PolarHBondContact O-N 3.38Å; H38-K40 VanDerWaalsContact C-N 3.29Å; H38-K40 PolarHBondContact O-N 3.03Å; H38-E41 IonicContact ND1-OE2 3.99Å; H38-E41 PolarHBondContact O-N 2.81Å; H38-A42 PolarHBondContact O-N 2.75Å; H38-Y65 HydrophobicContact CB-CE1 4.15Å; H38-Y65 WeakPolarHBondContact O-CD1 3.45Å; H38-Y65 VanDerWaalsContact O-CE1 3.29Å; H38-Y65 WeakPolarHBondContact O-CE1 3.41Å; H38-F217 HydrophobicContact CB-CD1 3.98Å; H38-F217 HydrophobicContact CB-CE1 4.03Å; H38-F217 AromaticContact CD2-CD1 3.65Å; H38-F217 AromaticContact CD2-CE1 3.56Å; H38-F217 AromaticContact CE1-CE1 3.71Å; H38-F217 AromaticContact CG-CD1 3.73Å; H38-F217 AromaticContact CG-CE1 3.47Å; H38-F217 VanDerWaalsContact CG-CE1 3.47Å; H38-F217 AromaticContact ND1-CE1 3.57Å; H38-F217 AromaticContact NE2-CE1 3.73Å
39L90.6Very high89.8Confident0 Ų070 Ų700%034%0.336CS..Hα-helixtrans-61.5-38.5174.4-171.663.7000111.9T35 T37 A42 V67 V198 Y226 L229 L230 Q233T35-L39 VanDerWaalsContact O-CB 3.32Å; T35-L39 WeakPolarHBondContact O-CB 3.48Å; T35-L39 PolarHBondContact O-N 2.82Å; T37-L39 VanDerWaalsContact C-N 3.34Å; T37-L39 PolarHBondContact O-N 3Å; L39-A42 VanDerWaalsContact O-CB 3.27Å; L39-A42 WeakPolarHBondContact O-CB 3.36Å; L39-A42 PolarHBondContact O-N 3.23Å; L39-V67 HydrophobicContact CD1-CG2 4.47Å; L39-V198 HydrophobicContact CD1-CB 4.48Å; L39-V198 HydrophobicContact CD1-CG1 3.87Å; L39-V198 HydrophobicContact CD1-CG2 4.03Å; L39-Y226 HydrophobicContact CD1-CE2 4.01Å; L39-Y226 HydrophobicContact CG-CE2 4.03Å; L39-Y226 PolarHBondContact O-OH 2.76Å; L39-L229 HydrophobicContact CD1-CD2 4.39Å; L39-L229 HydrophobicContact CD2-CD2 4.25Å; L39-L229 HydrophobicContact CD2-CG 4.04Å; L39-L230 HydrophobicContact CB-CD1 4.16Å; L39-L230 HydrophobicContact CD2-CB 4.38Å; L39-L230 HydrophobicContact CD2-CD1 3.86Å; L39-L230 HydrophobicContact CG-CD1 3.91Å; L39-Q233 HydrophobicContact CD2-CG 4.27Å
40K91.1Very high89.1Confident145 Ų14573 Ų7363%0.6336%0.355SS*.Hα-helixtrans-70.3-34.6176.5-171.7-178.4178.1-174.80113.2A36 T37 H38 A42 L230 M234A36-K40 WeakPolarHBondContact O-CB 3.43Å; A36-K40 PolarHBondContact O-N 3.26Å; T37-K40 WeakPolarHBondContact O-CB 3.37Å; T37-K40 PolarHBondContact O-N 3.19Å; T37-K40 VanDerWaalsContact O-N 3.15Å; H38-K40 VanDerWaalsContact C-N 3.29Å; H38-K40 PolarHBondContact O-N 3.03Å; K40-A42 VanDerWaalsContact C-N 3.29Å; K40-L230 HydrophobicContact CB-CD1 4.3Å; K40-M234 HydrophobicContact CD-CE 4.19Å
41E90.7Very high88.7Confident145 Ų14564.8 Ų64.868%0.67832%0.324SS*.Hα-helixtrans-76.7-16.9176.5-71.8167.5179.100112.7T37 H38 K43T37-E41 WeakPolarHBondContact O-CG 3.43Å; T37-E41 PolarHBondContact O-N 3.49Å; H38-E41 IonicContact ND1-OE2 3.99Å; H38-E41 PolarHBondContact O-N 2.81Å; E41-K43 PolarHBondContact O-N 2.98Å
42A89.8Confident88.5Confident11 Ų1165.8 Ų65.89%0.09132%0.319CS..SBendtrans-61133.4-178.900000111.1H38 L39 K40 K44 Y65 V67H38-A42 PolarHBondContact O-N 2.75Å; L39-A42 VanDerWaalsContact O-CB 3.27Å; L39-A42 WeakPolarHBondContact O-CB 3.36Å; L39-A42 PolarHBondContact O-N 3.23Å; K40-A42 VanDerWaalsContact C-N 3.29Å; A42-K44 PolarHBondContact O-N 2.89Å; A42-Y65 HydrophobicContact CB-CD1 3.5Å; A42-Y65 VanDerWaalsContact CB-CD1 3.5Å; A42-Y65 HydrophobicContact CB-CE1 3.78Å; A42-Y65 HydrophobicContact CB-CG 4.47Å; A42-V67 HydrophobicContact CB-CG2 3.71Å
43K89.1Confident88.2Confident121 Ų12162.9 Ų62.953%0.52632%0.317SS..EExtended strand (participates in β ladder)trans-74.7117.9176.5-168.5176.1-179.7-179.10108.8E41 I45 A66 V67E41-K43 PolarHBondContact O-N 2.98Å; K43-I45 HydrophobicContact CB-CG1 4.36Å; K43-I45 HydrophobicContact CD-CD1 4.25Å; K43-I45 HydrophobicContact CD-CG1 4.24Å; K43-I45 HydrophobicContact CG-CD1 4.34Å; K43-I45 HydrophobicContact CG-CG1 3.93Å; K43-A66 WeakPolarHBondContact O-CA 3.49Å; K43-V67 PolarHBondContact O-N 3.29Å
44K91.4Very high87.9Confident107 Ų10763.5 Ų63.547%0.46532%0.318SS..EExtended strand (participates in β ladder)trans-73.7125.9168.3-175.1172.8179.6165.40109.1A42 E69 Y226A42-K44 PolarHBondContact O-N 2.89Å; K44-E69 VanDerWaalsContact CE-OE2 3.31Å; K44-E69 WeakPolarHBondContact CE-OE2 3.34Å; K44-E69 IonicContact NZ-OE1 2.69Å; K44-E69 PolarHBondContact NZ-OE1 3.44Å; K44-E69 VanDerWaalsContact NZ-OE1 3.12Å; K44-E69 IonicContact NZ-OE2 3.51Å; K44-E69 PolarHBondContact NZ-OE2 2.92Å; K44-Y226 HydrophobicContact CD-CD1 4.47Å
45I90.1Very high87.7Confident11 Ų1159.4 Ų59.46%0.05630%0.301CS..EExtended strand (participates in β ladder)trans-131.2125.4-176.7-54.1175.8000108.7K43 L51 I63 A66 V67 L201K43-I45 HydrophobicContact CB-CG1 4.36Å; K43-I45 HydrophobicContact CD-CD1 4.25Å; K43-I45 HydrophobicContact CD-CG1 4.24Å; K43-I45 HydrophobicContact CG-CD1 4.34Å; K43-I45 HydrophobicContact CG-CG1 3.93Å; I45-L51 HydrophobicContact CG2-CD1 3.3Å; I45-I63 HydrophobicContact CD1-CD1 3.41Å; I45-I63 VanDerWaalsContact CD1-CD1 3.41Å; I45-A66 HydrophobicContact CD1-CB 3.94Å; I45-V67 PolarHBondContact N-O 3.35Å; I45-L201 HydrophobicContact CD1-CD2 4.41Å
46S87.9Confident87.4Confident67 Ų6761.7 Ų61.747%0.46932%0.318SS..  trans-78.6151.3173.538.50000111.4D48S46-D48 VanDerWaalsContact C-N 3.27Å; S46-D48 VanDerWaalsContact CB-OD2 3.24Å; S46-D48 WeakPolarHBondContact CB-OD2 3.21Å; S46-D48 PolarHBondContact O-N 3.21Å; S46-D48 PolarHBondContact OG-OD2 3.19Å
47I87.6Confident87.2Confident4 Ų469 Ų692%0.02135%0.35CS..  trans-82.777.5176.3-52.6176000108.4I68 L128 S130 T137 V139I47-I68 HydrophobicContact CD1-CG2 3.61Å; I47-I68 HydrophobicContact CG1-CG2 3.52Å; I47-L128 HydrophobicContact CD1-CB 3.91Å; I47-S130 WeakPolarHBondContact O-CB 3.3Å; I47-S130 PolarHBondContact O-OG 3.45Å; I47-T137 HydrophobicContact CG2-CG2 4.23Å; I47-T137 VanDerWaalsContact CG2-O 3.31Å; I47-T137 WeakPolarHBondContact CG2-O 3.31Å; I47-V139 HydrophobicContact CD1-CG2 4.35Å; I47-V139 HydrophobicContact CG1-CG2 4.29Å; I47-V139 HydrophobicContact CG2-CG2 4.46Å
48D85.6Confident86.9Confident63 Ų6368.4 Ų68.434%0.33735%0.347SS..  trans-109.7172.6179.9-55.9-29.7000111.4S46 D50 L51 T137S46-D48 VanDerWaalsContact C-N 3.27Å; S46-D48 VanDerWaalsContact CB-OD2 3.24Å; S46-D48 WeakPolarHBondContact CB-OD2 3.21Å; S46-D48 PolarHBondContact O-N 3.21Å; S46-D48 PolarHBondContact OG-OD2 3.19Å; D48-D50 PolarHBondContact O-N 3.42Å; D48-L51 VanDerWaalsContact O-CB 3.26Å; D48-L51 WeakPolarHBondContact O-CB 3.22Å; D48-L51 PolarHBondContact O-N 3.32Å; D48-T137 PolarHBondContact O-OG1 2.66Å
49Q74.4Confident86.1Confident146 Ų14671.9 Ų71.968%0.68238%0.375SS*.THydrogen-bonded Turntrans-64.4-28.2178.7-151.6162.210.100112L51Q49-L51 VanDerWaalsContact C-N 3.29Å; Q49-L51 PolarHBondContact O-N 2.82Å
50D80.8Confident85.6Confident113 Ų11375.1 Ų75.160%0.60441%0.409SS*.THydrogen-bonded Turntrans-78.3-9.7179.1-60.5-28.3000113.7D48 K52 A53 I54D48-D50 PolarHBondContact O-N 3.42Å; D50-K52 PolarHBondContact O-N 2.91Å; D50-A53 WeakPolarHBondContact O-CA 3.49Å; D50-A53 WeakPolarHBondContact O-CB 3.49Å; D50-A53 PolarHBondContact O-N 2.96Å; D50-I54 WeakPolarHBondContact O-CG1 3.47Å; D50-I54 PolarHBondContact O-N 2.96Å
51L84.7Confident85.4Confident2 Ų275.5 Ų75.51%0.0141%0.406CS..Hα-helixtrans-57.1-37.5-179-178.456.3000112.2I45 D48 Q49 L55 T137 V139 L201 I208I45-L51 HydrophobicContact CG2-CD1 3.3Å; D48-L51 VanDerWaalsContact O-CB 3.26Å; D48-L51 WeakPolarHBondContact O-CB 3.22Å; D48-L51 PolarHBondContact O-N 3.32Å; Q49-L51 VanDerWaalsContact C-N 3.29Å; Q49-L51 PolarHBondContact O-N 2.82Å; L51-L55 HydrophobicContact CD1-CD1 4.41Å; L51-L55 HydrophobicContact CG-CD1 4.36Å; L51-L55 WeakPolarHBondContact O-CG 3.48Å; L51-L55 PolarHBondContact O-N 2.75Å; L51-L55 VanDerWaalsContact O-N 3.12Å; L51-T137 HydrophobicContact CB-CG2 4.38Å; L51-T137 HydrophobicContact CD2-CG2 4.3Å; L51-V139 HydrophobicContact CD2-CG2 3.94Å; L51-L201 HydrophobicContact CD1-CD2 4.14Å; L51-I208 HydrophobicContact CB-CD1 4.44Å; L51-I208 HydrophobicContact CD2-CD1 3.76Å; L51-I208 HydrophobicContact CG-CD1 3.84Å
52K85.1Confident85.3Confident92 Ų9270.5 Ų70.540%0.439%0.387SS..Hα-helixtrans-65.9-40.4175.8-69.8-173.7178.8-1710111.7D50 L55 S56 I208D50-K52 PolarHBondContact O-N 2.91Å; K52-L55 PolarHBondContact O-N 3.25Å; K52-S56 WeakPolarHBondContact O-CB 3.1Å; K52-S56 PolarHBondContact O-N 3.12Å; K52-S56 PolarHBondContact O-OG 3.27Å; K52-I208 HydrophobicContact CG-CD1 3.91Å; K52-I208 HydrophobicContact CG-CG1 4.49Å
53A84.8Confident85.3Confident42 Ų4270.7 Ų70.735%0.34739%0.386SS..Hα-helixtrans-64-48.6177.400000110.7D50 L55 S56 E57D50-A53 WeakPolarHBondContact O-CA 3.49Å; D50-A53 WeakPolarHBondContact O-CB 3.49Å; D50-A53 PolarHBondContact O-N 2.96Å; A53-L55 VanDerWaalsContact C-N 3.29Å; A53-L55 PolarHBondContact O-N 3.21Å; A53-S56 WeakPolarHBondContact CA-OG 3.26Å; A53-S56 PolarHBondContact O-N 3.21Å; A53-S56 PolarHBondContact O-OG 2.94Å; A53-E57 WeakPolarHBondContact O-CG 3.25Å; A53-E57 PolarHBondContact O-N 2.86Å
54I86.1Confident85.4Confident55 Ų5568.1 Ų68.128%0.28238%0.382SS..Hα-helixtrans-55.9-43.7177.9-64167.3000111.4D50 T58 I63D50-I54 WeakPolarHBondContact O-CG1 3.47Å; D50-I54 PolarHBondContact O-N 2.96Å; I54-T58 PolarHBondContact O-N 3.47Å; I54-T58 PolarHBondContact O-OG1 3.12Å; I54-I63 HydrophobicContact CG2-CD1 4.49Å
55L86.9Confident85.4Confident0 Ų063.9 Ų63.90%036%0.363CS..Hα-helixtrans-70.3-34.9177.8-75.9169.2000112.6L51 K52 A53 T58 R61 I63 L201 L203 I208L51-L55 HydrophobicContact CD1-CD1 4.41Å; L51-L55 HydrophobicContact CG-CD1 4.36Å; L51-L55 WeakPolarHBondContact O-CG 3.48Å; L51-L55 PolarHBondContact O-N 2.75Å; L51-L55 VanDerWaalsContact O-N 3.12Å; K52-L55 PolarHBondContact O-N 3.25Å; A53-L55 VanDerWaalsContact C-N 3.29Å; A53-L55 PolarHBondContact O-N 3.21Å; L55-T58 PolarHBondContact O-N 3.48Å; L55-R61 WeakPolarHBondContact O-CA 3.38Å; L55-I63 HydrophobicContact CD2-CD1 3.77Å; L55-I63 HydrophobicContact CD2-CG1 3.86Å; L55-L201 HydrophobicContact CD1-CD2 3.89Å; L55-L201 HydrophobicContact CD1-CG 4.05Å; L55-L201 HydrophobicContact CD2-CD2 3.97Å; L55-L201 HydrophobicContact CD2-CG 4.09Å; L55-L201 HydrophobicContact CG-CD2 4.27Å; L55-L203 HydrophobicContact CB-CB 3.97Å; L55-L203 HydrophobicContact CB-CD2 4.09Å; L55-L203 HydrophobicContact CD1-CB 4.17Å; L55-I208 HydrophobicContact CD1-CB 4.47Å; L55-I208 HydrophobicContact CD1-CD1 4.26Å; L55-I208 HydrophobicContact CD1-CG1 3.96Å; L55-I208 HydrophobicContact CD1-CG2 3.75Å
56S85.2Confident85.6Confident67 Ų6763.4 Ų63.447%0.46936%0.36SS..Hα-helixtrans-70-32.7177.672.50000113.3K52 A53K52-S56 WeakPolarHBondContact O-CB 3.1Å; K52-S56 PolarHBondContact O-N 3.12Å; K52-S56 PolarHBondContact O-OG 3.27Å; A53-S56 WeakPolarHBondContact CA-OG 3.26Å; A53-S56 PolarHBondContact O-N 3.21Å; A53-S56 PolarHBondContact O-OG 2.94Å
57E86.3Confident85.9Confident161 Ų16160.2 Ų60.275%0.75234%0.338SS*.Hα-helixtrans-77-25.7177.1-71.1176.4-176.600112.6A53A53-E57 WeakPolarHBondContact O-CG 3.25Å; A53-E57 PolarHBondContact O-N 2.86Å
58T84.9Confident86.3Confident46 Ų4660 Ų6028%0.28234%0.337SS..SBendtrans-72.7132.8-179.8-57.40000110.7I54 L55 G60 R61 C62 I63I54-T58 PolarHBondContact O-N 3.47Å; I54-T58 PolarHBondContact O-OG1 3.12Å; L55-T58 PolarHBondContact O-N 3.48Å; T58-G60 PolarHBondContact O-N 3.3Å; T58-R61 PolarHBondContact O-N 3.23Å; T58-C62 WeakPolarHBondContact CG2-O 3.48Å; T58-I63 HydrophobicContact CG2-CG1 4.28Å
59S74.6Confident86.6Confident112 Ų11258.7 Ų58.778%0.78333%0.329SS*.G310 helixtrans-56.5123.1177.648.90000111.1
60G79.7Confident87.5Confident68 Ų6851.7 Ų51.770%0.70130%0.296SS*.G310 helixtrans82.84.7-178.100000115.7T58 C62T58-G60 PolarHBondContact O-N 3.3Å; G60-C62 PolarHBondContact O-N 3.48Å; G60-C62 VanDerWaalsContact O-N 3.12Å
61R88.1Confident88.2Confident153 Ų15348.1 Ų48.158%0.57728%0.277SS*.G310 helixtrans55.825.5179.5-59.4-177.6-178.6178.6-0.5114.3L55 T58 L203L55-R61 WeakPolarHBondContact O-CA 3.38Å; T58-R61 PolarHBondContact O-N 3.23Å; R61-L203 HydrophobicContact CB-CB 4.34Å; R61-L203 PolarHBondContact O-N 2.99Å
62C88.2Confident88.7Confident39 Ų3948 Ų4826%0.26428%0.277SS..EExtended strand (participates in β ladder)trans-138.6138.1-176.961.50000111.3T58 G60 L201 V202T58-C62 WeakPolarHBondContact CG2-O 3.48Å; G60-C62 PolarHBondContact O-N 3.48Å; G60-C62 VanDerWaalsContact O-N 3.12Å; C62-L201 CarbonylContact C-O 3.55Å; C62-L201 VanDerWaalsContact CA-O 3.25Å; C62-L201 WeakPolarHBondContact CA-O 3.37Å; C62-V202 HydrophobicContact CB-CG2 4.07Å
63I90.8Very high89.1Confident16 Ų1647.3 Ų47.38%0.08227%0.271CS..EExtended strand (participates in β ladder)trans-107.8117.6168.7-60.8171.5000106.6I45 I54 L55 T58 Y65 A66 L201I45-I63 HydrophobicContact CD1-CD1 3.41Å; I45-I63 VanDerWaalsContact CD1-CD1 3.41Å; I54-I63 HydrophobicContact CG2-CD1 4.49Å; L55-I63 HydrophobicContact CD2-CD1 3.77Å; L55-I63 HydrophobicContact CD2-CG1 3.86Å; T58-I63 HydrophobicContact CG2-CG1 4.28Å; I63-Y65 VanDerWaalsContact C-N 3.26Å; I63-Y65 PolarHBondContact O-N 3.3Å; I63-A66 HydrophobicContact CB-CB 4.49Å; I63-A66 HydrophobicContact CG2-CB 3.94Å; I63-L201 HydrophobicContact CB-CB 4.32Å; I63-L201 PolarHBondContact N-O 3.22Å; I63-L201 PolarHBondContact O-N 3.46Å
64P89.8Confident89.5Confident67 Ų6747.4 Ų47.444%0.43527%0.269SS..EExtended strand (participates in β ladder)trans-64.6-30.6-169.724-34000113.1E200P64-E200 WeakPolarHBondContact O-CA 3.48Å
65Y92.6Very high89.6Confident18 Ų1847.9 Ų47.97%0.07128%0.275CS..EExtended strand (participates in β ladder)trans-150.7107.3-179.1-155.9-121.4000111H38 A42 I63 V198 G199 F217 C218H38-Y65 HydrophobicContact CB-CE1 4.15Å; H38-Y65 WeakPolarHBondContact O-CD1 3.45Å; H38-Y65 VanDerWaalsContact O-CE1 3.29Å; H38-Y65 WeakPolarHBondContact O-CE1 3.41Å; A42-Y65 HydrophobicContact CB-CD1 3.5Å; A42-Y65 VanDerWaalsContact CB-CD1 3.5Å; A42-Y65 HydrophobicContact CB-CE1 3.78Å; A42-Y65 HydrophobicContact CB-CG 4.47Å; I63-Y65 VanDerWaalsContact C-N 3.26Å; I63-Y65 PolarHBondContact O-N 3.3Å; Y65-V198 HydrophobicContact CD2-CG1 4.45Å; Y65-V198 HydrophobicContact CE1-CG1 3.98Å; Y65-V198 HydrophobicContact CE2-CG1 3.74Å; Y65-V198 VanDerWaalsContact CZ-CG1 3.47Å; Y65-G199 WeakPolarHBondContact CA-O 3.25Å; Y65-F217 HydrophobicContact CD2-CB 3.83Å; Y65-F217 HydrophobicContact CD2-CD2 4.05Å; Y65-F217 AromaticContact CD2-CG 3.96Å; Y65-F217 HydrophobicContact CD2-CG 3.96Å; Y65-F217 HydrophobicContact CE2-CB 3.69Å; Y65-F217 HydrophobicContact CE2-CG 4.22Å; Y65-F217 HydrophobicContact CG-CD2 4.31Å; Y65-F217 HydrophobicContact CG-CG 4.35Å; Y65-C218 WeakPolarHBondContact CE2-O 3.46Å; Y65-C218 PolarHBondContact OH-O 2.86Å
66A93.4Very high89.4Confident0 Ų056.1 Ų56.10%031%0.311CS..EExtended strand (participates in β ladder)trans-131.9153.2-177.700000111.1K43 I45 I63 V198 G199 L201K43-A66 WeakPolarHBondContact O-CA 3.49Å; I45-A66 HydrophobicContact CD1-CB 3.94Å; I63-A66 HydrophobicContact CB-CB 4.49Å; I63-A66 HydrophobicContact CG2-CB 3.94Å; A66-V198 WeakPolarHBondContact O-CA 3.44Å; A66-G199 PolarHBondContact N-O 2.94Å; A66-G199 PolarHBondContact O-N 3.33Å; A66-G199 VanDerWaalsContact O-N 3.1Å; A66-L201 HydrophobicContact CB-CB 4.23Å
67V95.2Very high89.7Confident0 Ų058.5 Ų58.50%032%0.318CS..EExtended strand (participates in β ladder)trans-110.5127.1173.8-179.80000108.3L39 A42 K43 I45 T196 V198 Y226L39-V67 HydrophobicContact CD1-CG2 4.47Å; A42-V67 HydrophobicContact CB-CG2 3.71Å; K43-V67 PolarHBondContact O-N 3.29Å; I45-V67 PolarHBondContact N-O 3.35Å; V67-T196 HydrophobicContact CG1-CG2 3.74Å; V67-V198 HydrophobicContact CB-CG2 4.47Å; V67-V198 HydrophobicContact CG1-CG2 4.22Å; V67-V198 HydrophobicContact CG2-CG1 4.03Å; V67-V198 HydrophobicContact CG2-CG2 3.99Å; V67-Y226 HydrophobicContact CB-CD2 4.27Å; V67-Y226 HydrophobicContact CG1-CD2 3.65Å; V67-Y226 HydrophobicContact CG1-CE2 4.4Å; V67-Y226 HydrophobicContact CG1-CG 4.06Å; V67-Y226 HydrophobicContact CG2-CD2 3.8Å; V67-Y226 HydrophobicContact CG2-CE2 3.72Å
68I94.4Very high90Very high0 Ų053.2 Ų53.20%030%0.297CS..EExtended strand (participates in β ladder)trans-127.6130178.9-61.2176000108.5I47 L128 V139 T196 G197 L201I47-I68 HydrophobicContact CD1-CG2 3.61Å; I47-I68 HydrophobicContact CG1-CG2 3.52Å; I68-L128 HydrophobicContact CG2-CD1 4.44Å; I68-V139 HydrophobicContact CD1-CG1 3.93Å; I68-V139 HydrophobicContact CD1-CG2 4.23Å; I68-V139 HydrophobicContact CG2-CG2 4.49Å; I68-T196 CarbonylContact O-C 3.56Å; I68-T196 WeakPolarHBondContact O-CA 3.23Å; I68-G197 PolarHBondContact N-O 2.91Å; I68-G197 PolarHBondContact O-N 3.42Å; I68-L201 HydrophobicContact CD1-CD1 3.34Å; I68-L201 HydrophobicContact CD1-CD2 3.75Å; I68-L201 HydrophobicContact CD1-CG 4.1Å
69E93.7Very high90.4Very high35 Ų3552.5 Ų52.516%0.16429%0.291CS..EExtended strand (participates in β ladder)trans-110.9130.8172.6-67175.3172.900107.8K44 V195 T196 Y226K44-E69 VanDerWaalsContact CE-OE2 3.31Å; K44-E69 WeakPolarHBondContact CE-OE2 3.34Å; K44-E69 IonicContact NZ-OE1 2.69Å; K44-E69 PolarHBondContact NZ-OE1 3.44Å; K44-E69 VanDerWaalsContact NZ-OE1 3.12Å; K44-E69 IonicContact NZ-OE2 3.51Å; K44-E69 PolarHBondContact NZ-OE2 2.92Å; E69-V195 WeakPolarHBondContact CA-O 3.47Å; E69-T196 HydrophobicContact CG-CG2 3.96Å; E69-Y226 WeakPolarHBondContact OE1-CB 3.43Å; E69-Y226 PolarHBondContact OE1-N 3.42Å
70G93.4Very high91.4Very high0 Ų052 Ų520%028%0.28CS..EExtended strand (participates in β ladder)trans-167168.5179.700000113.5G129 V195G70-G129 CarbonylContact C-O 3.55Å; G70-G129 VanDerWaalsContact CA-O 3.3Å; G70-G129 WeakPolarHBondContact CA-O 3.38Å; G70-V195 PolarHBondContact N-O 3.49Å; G70-V195 PolarHBondContact O-N 2.85Å
71L94.4Very high92Very high37 Ų3749.5 Ų49.519%0.19425%0.252CS..EExtended strand (participates in β ladder)trans-84.1135.3178.2-62.2176.2000110.3R73 L128 G129 Y131 G192 D193L71-R73 PolarHBondContact O-N 2.81Å; L71-L128 CarbonylContact O-C 3.56Å; L71-L128 WeakPolarHBondContact O-CA 3.39Å; L71-G129 PolarHBondContact N-O 2.96Å; L71-G129 PolarHBondContact O-N 2.88Å; L71-Y131 HydrophobicContact CD1-CD1 3.97Å; L71-Y131 HydrophobicContact CD2-CD1 3.75Å; L71-Y131 HydrophobicContact CD2-CE1 3.59Å; L71-Y131 HydrophobicContact CG-CD1 3.7Å; L71-Y131 HydrophobicContact CG-CE1 3.9Å; L71-Y131 HydrophobicContact CG-CG 4.43Å; L71-G192 WeakPolarHBondContact CD2-O 3.4Å; L71-D193 WeakPolarHBondContact CA-O 3.5Å
72V95Very high92.2Very high1 Ų147.9 Ų47.91%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-67.6119.6176.2174.50000110.1V90 F126 L128 L189 R190 G192 D193 V195V72-V90 HydrophobicContact CG1-CB 4.21Å; V72-V90 HydrophobicContact CG1-CG1 3.63Å; V72-V90 HydrophobicContact CG1-CG2 3.47Å; V72-V90 VanDerWaalsContact CG1-CG2 3.47Å; V72-F126 HydrophobicContact CG1-CD2 4.05Å; V72-F126 HydrophobicContact CG1-CG 4.48Å; V72-L128 HydrophobicContact CG2-CD2 4.07Å; V72-L189 HydrophobicContact CG2-CD1 4.26Å; V72-L189 HydrophobicContact CG2-CD2 4Å; V72-L189 HydrophobicContact CG2-CG 4.08Å; V72-R190 WeakPolarHBondContact CB-O 3.34Å; V72-G192 PolarHBondContact O-N 3.33Å; V72-D193 WeakPolarHBondContact CG2-O 3.39Å; V72-D193 PolarHBondContact N-O 2.89Å; V72-V195 HydrophobicContact CG2-CB 4.15Å; V72-V195 HydrophobicContact CG2-CG2 3.46Å; V72-V195 VanDerWaalsContact CG2-CG2 3.46Å
73R93.2Very high92.3Very high76 Ų7649.3 Ų49.329%0.28725%0.252SS..EExtended strand (participates in β ladder)trans-119.4132.3173.6-61.4-168.5-175-176.66.9109.9L71 F126 A127 S130L71-R73 PolarHBondContact O-N 2.81Å; R73-F126 WeakPolarHBondContact O-CA 3.11Å; R73-F126 WeakPolarHBondContact O-CB 3.19Å; R73-A127 PolarHBondContact N-O 2.94Å; R73-A127 PolarHBondContact O-N 2.82Å; R73-A127 VanDerWaalsContact O-O 3.12Å; R73-S130 PolarHBondContact NH2-O 2.8Å
74S92.9Very high92.4Very high44 Ų4451.1 Ų51.131%0.30826%0.264SS..EExtended strand (participates in β ladder)trans-71.5139.2172.856.70000110.9
75V88.3Confident92.3Very high65 Ų6555.5 Ų55.539%0.39428%0.284SS..SBendtrans-86.1-35.6178.6177.70000112P125 A127V75-P125 PolarHBondContact N-O 2.75Å; V75-A127 HydrophobicContact CG2-CB 4.09Å
76K84.1Confident92.1Very high174 Ų17461.7 Ų61.776%0.75732%0.318SS*.SBendtrans-136.2-81.4179.1-68.3-173.4177.7-172.70110
77D90.3Very high92Very high116 Ų11662.2 Ų62.262%0.6232%0.322SS*.  trans-100.2151.8-174.4-53-48.5000110.6V124D77-V124 WeakPolarHBondContact O-CG2 3.4Å
78T93.3Very high92Very high50 Ų5067.1 Ų67.131%0.30734%0.343SS..  trans-109.3148.2170.755.20000109.8V191T78-V191 HydrophobicContact CG2-CG2 3.91Å
79L93.7Very high92Very high31 Ų3167.1 Ų67.116%0.16234%0.343CS..EExtended strand (participates in β ladder)trans-84.8136.6167.3-61.5173000108.6K88 G89 E92 N122 V124 M188L79-K88 CarbonylContact O-C 3.51Å; L79-K88 WeakPolarHBondContact O-CA 3.37Å; L79-G89 WeakPolarHBondContact CB-O 3.33Å; L79-G89 PolarHBondContact N-O 2.87Å; L79-G89 PolarHBondContact O-N 2.76Å; L79-E92 HydrophobicContact CD1-CB 3.91Å; L79-N122 HydrophobicContact CD1-CB 4.03Å; L79-V124 HydrophobicContact CD1-CG1 4.3Å; L79-V124 HydrophobicContact CD1-CG2 4.37Å; L79-V124 HydrophobicContact CD2-CG1 3.71Å; L79-V124 HydrophobicContact CG-CG1 3.77Å; L79-V124 HydrophobicContact CG-CG2 4.06Å; L79-M188 HydrophobicContact CB-CE 4.24Å
80N94.1Very high92Very high102 Ų10265.4 Ų65.455%0.54534%0.335SS..EExtended strand (participates in β ladder)trans-99.4141.8172.5-61.9-24.4000108.5C87N80-C87 WeakPolarHBondContact CA-O 3.37Å
81S93.4Very high92.1Very high16 Ų1665.4 Ų65.411%0.11234%0.335CS..PPolyproline II helixtrans-59.6145.6169.41690000110.7F83 V84 C87 E186S81-F83 PolarHBondContact OG-N 2.82Å; S81-F83 VanDerWaalsContact OG-N 3.12Å; S81-V84 WeakPolarHBondContact CB-O 3.37Å; S81-V84 PolarHBondContact OG-N 3.06Å; S81-C87 PolarHBondContact N-O 2.7Å; S81-E186 VanDerWaalsContact CA-OE1 3.26Å; S81-E186 WeakPolarHBondContact CA-OE1 3.46Å; S81-E186 WeakPolarHBondContact CB-OE2 3.34Å; S81-E186 VanDerWaalsContact OG-CD 3.25Å; S81-E186 PolarHBondContact OG-OE1 3.03Å; S81-E186 PolarHBondContact OG-OE2 2.76Å
82Q91.2Very high92.2Very high119 Ų11964 Ų6456%0.55633%0.327SS*.SBendtrans-82.4-20.3174.3-72.7171.357.100113.1E92 E186Q82-E92 PolarHBondContact NE2-OE1 3Å; Q82-E186 PolarHBondContact N-OE1 2.84Å
83F91.3Very high92.3Very high68 Ų6866.2 Ų66.230%0.29834%0.336SS..SBendtrans-115.1-23.8-171-56.6-76.9000113.6S81 L94 Y156 E184 E186S81-F83 PolarHBondContact OG-N 2.82Å; S81-F83 VanDerWaalsContact OG-N 3.12Å; F83-L94 HydrophobicContact CE2-CD2 3.76Å; F83-Y156 HydrophobicContact CB-CD1 3.83Å; F83-Y156 HydrophobicContact CB-CD2 3.6Å; F83-Y156 HydrophobicContact CB-CE1 4.25Å; F83-Y156 HydrophobicContact CB-CE2 4.04Å; F83-Y156 HydrophobicContact CB-CG 3.47Å; F83-Y156 VanDerWaalsContact CB-CG 3.47Å; F83-Y156 AromaticContact CD1-CD1 3.83Å; F83-Y156 HydrophobicContact CD1-CD1 3.83Å; F83-Y156 AromaticContact CD1-CE1 3.56Å; F83-Y156 HydrophobicContact CD1-CE1 3.56Å; F83-Y156 HydrophobicContact CD1-CE2 4.38Å; F83-Y156 HydrophobicContact CD1-CG 4.33Å; F83-Y156 AromaticContact CD1-CZ 3.84Å; F83-Y156 AromaticContact CD2-CD1 3.54Å; F83-Y156 HydrophobicContact CD2-CD1 3.54Å; F83-Y156 HydrophobicContact CD2-CE1 4.12Å; F83-Y156 AromaticContact CD2-CG 3.93Å; F83-Y156 HydrophobicContact CD2-CG 3.93Å; F83-Y156 HydrophobicContact CE1-CD1 4.24Å; F83-Y156 AromaticContact CE1-CE1 3.82Å; F83-Y156 HydrophobicContact CE1-CE1 3.82Å; F83-Y156 AromaticContact CE2-CD1 3.98Å; F83-Y156 HydrophobicContact CE2-CD1 3.98Å; F83-Y156 HydrophobicContact CE2-CE1 4.35Å; F83-Y156 AromaticContact CG-CD1 3.45Å; F83-Y156 HydrophobicContact CG-CD1 3.45Å; F83-Y156 VanDerWaalsContact CG-CD1 3.45Å; F83-Y156 HydrophobicContact CG-CD2 4.15Å; F83-Y156 AromaticContact CG-CE1 3.72Å; F83-Y156 HydrophobicContact CG-CE1 3.72Å; F83-Y156 HydrophobicContact CG-CE2 4.37Å; F83-Y156 AromaticContact CG-CG 3.67Å; F83-Y156 HydrophobicContact CG-CG 3.67Å; F83-Y156 HydrophobicContact CZ-CD1 4.3Å; F83-Y156 HydrophobicContact CZ-CE1 4.21Å; F83-E184 HydrophobicContact CE1-CG 4.47Å; F83-E184 HydrophobicContact CZ-CG 3.94Å; F83-E184 WeakPolarHBondContact CZ-OE1 3.31Å; F83-E186 HydrophobicContact CD2-CB 3.85Å; F83-E186 HydrophobicContact CD2-CG 4.32Å; F83-E186 HydrophobicContact CE2-CB 4.06Å
84V91.8Very high92.4Very high54 Ų5463.7 Ų63.733%0.32733%0.328SS..SBendtrans-121.4120.3-175.6-175.20000110.5S81 C87S81-V84 WeakPolarHBondContact CB-O 3.37Å; S81-V84 PolarHBondContact OG-N 3.06Å; V84-C87 HydrophobicContact CB-CB 4.06Å; V84-C87 HydrophobicContact CG1-CB 4.06Å
85D88.3Confident92.5Very high159 Ų15961.9 Ų61.985%0.8532%0.315SS*.THydrogen-bonded Turntrans-64143.9175.6-66.7-39.6000111.7C87D85-C87 PolarHBondContact O-N 3.27Å; D85-C87 VanDerWaalsContact O-N 3.14Å
86D88.8Confident92.8Very high148 Ų14861.3 Ų61.379%0.79131%0.309SS*.THydrogen-bonded Turntrans60.413.6-179-156.333.2000116.1K88D86-K88 PolarHBondContact O-N 3.03Å
87C91.4Very high93.4Very high12 Ų1255.3 Ų55.38%0.08128%0.283CS..  trans-88.7108.6173-165.40000111.1N80 S81 V84 D85 R190N80-C87 WeakPolarHBondContact CA-O 3.37Å; S81-C87 PolarHBondContact N-O 2.7Å; V84-C87 HydrophobicContact CB-CB 4.06Å; V84-C87 HydrophobicContact CG1-CB 4.06Å; D85-C87 PolarHBondContact O-N 3.27Å; D85-C87 VanDerWaalsContact O-N 3.14Å; C87-R190 PolarHBondContact SG-NE 3.2Å
88K94.4Very high93.5Very high102 Ų10252.5 Ų52.544%0.44327%0.267SS..EExtended strand (participates in β ladder)trans-108.6132.4178.8-64.9177.9-173.6165.10111.7L79 D86 R190 V191L79-K88 CarbonylContact O-C 3.51Å; L79-K88 WeakPolarHBondContact O-CA 3.37Å; D86-K88 PolarHBondContact O-N 3.03Å; K88-R190 WeakPolarHBondContact O-CA 3.4Å; K88-V191 PolarHBondContact O-N 2.91Å
89G94.6Very high93.4Very high0 Ų051.7 Ų51.70%026%0.259CS..EExtended strand (participates in β ladder)trans-140.7174.9-179.700000114.1L79 L189L79-G89 WeakPolarHBondContact CB-O 3.33Å; L79-G89 PolarHBondContact N-O 2.87Å; L79-G89 PolarHBondContact O-N 2.76Å; G89-L189 CarbonylContact C-O 3.56Å; G89-L189 WeakPolarHBondContact CA-O 3.47Å
90V95.2Very high93.3Very high0 Ų051.8 Ų51.80%026%0.258CS..EExtended strand (participates in β ladder)trans-111.2-23.8179.7-61.50000112.7V72 V124 F126 L189 V191V72-V90 HydrophobicContact CG1-CB 4.21Å; V72-V90 HydrophobicContact CG1-CG1 3.63Å; V72-V90 HydrophobicContact CG1-CG2 3.47Å; V72-V90 VanDerWaalsContact CG1-CG2 3.47Å; V90-V124 HydrophobicContact CB-CG2 4.05Å; V90-V124 HydrophobicContact CG1-CG2 4.39Å; V90-V124 VanDerWaalsContact O-CG2 3.3Å; V90-V124 WeakPolarHBondContact O-CG2 3.12Å; V90-V124 PolarHBondContact O-N 2.97Å; V90-F126 HydrophobicContact CB-CB 3.75Å; V90-F126 HydrophobicContact CB-CD1 3.74Å; V90-F126 HydrophobicContact CB-CG 3.83Å; V90-F126 HydrophobicContact CG1-CB 3.55Å; V90-F126 HydrophobicContact CG1-CD1 4.5Å; V90-F126 HydrophobicContact CG1-CG 4.11Å; V90-F126 HydrophobicContact CG2-CB 4.12Å; V90-F126 HydrophobicContact CG2-CD1 3.67Å; V90-F126 HydrophobicContact CG2-CD2 4.09Å; V90-F126 HydrophobicContact CG2-CE1 4.03Å; V90-F126 HydrophobicContact CG2-CE2 4.41Å; V90-F126 HydrophobicContact CG2-CG 3.7Å; V90-F126 HydrophobicContact CG2-CZ 4.39Å; V90-L189 HydrophobicContact CG2-CB 4Å; V90-L189 HydrophobicContact CG2-CD2 3.76Å; V90-L189 HydrophobicContact CG2-CG 3.87Å; V90-L189 PolarHBondContact N-O 2.82Å; V90-V191 HydrophobicContact CG1-CG2 4.02Å
91I95.4Very high93Very high0 Ų049.2 Ų49.20%024%0.243CC..EExtended strand (participates in β ladder)trans-129.7133.4172.6-61.1171.3000106.2T121 N122 T123 F126 P144 L150 L152 M188 L189I91-T121 HydrophobicContact CG2-CG2 4.26Å; I91-N122 WeakPolarHBondContact CA-O 3.35Å; I91-T123 HydrophobicContact CG1-CG2 4.07Å; I91-T123 HydrophobicContact CG2-CG2 4.18Å; I91-F126 HydrophobicContact CD1-CE1 3.93Å; I91-F126 HydrophobicContact CD1-CZ 4.17Å; I91-F126 HydrophobicContact CG1-CE1 4.1Å; I91-P144 HydrophobicContact CD1-CB 3.89Å; I91-P144 HydrophobicContact CD1-CG 4.23Å; I91-L150 HydrophobicContact CD1-CD1 4.09Å; I91-L150 HydrophobicContact CD1-CD2 4.24Å; I91-L152 HydrophobicContact CB-CD2 4.16Å; I91-L152 HydrophobicContact CG2-CD1 4.14Å; I91-L152 HydrophobicContact CG2-CD2 3.88Å; I91-M188 CarbonylContact O-C 3.58Å; I91-M188 WeakPolarHBondContact O-CA 3.49Å; I91-M188 WeakPolarHBondContact O-CB 3.45Å; I91-L189 HydrophobicContact CB-CB 4.01Å; I91-L189 HydrophobicContact CD1-CB 4.49Å; I91-L189 HydrophobicContact CD1-CD2 4.07Å; I91-L189 HydrophobicContact CG1-CB 4.46Å; I91-L189 PolarHBondContact O-N 3.32Å
92E95.7Very high92.8Very high6 Ų650.3 Ų50.33%0.02825%0.25CC..EExtended strand (participates in β ladder)trans-128.8131.2175.6-179.9-157.6-159.700107.6L79 Q82 L94 T121 N122 E186 E187 M188L79-E92 HydrophobicContact CD1-CB 3.91Å; Q82-E92 PolarHBondContact NE2-OE1 3Å; E92-L94 HydrophobicContact CG-CG 4.4Å; E92-T121 CarbonylContact O-C 3.57Å; E92-T121 VanDerWaalsContact O-CA 3.3Å; E92-T121 WeakPolarHBondContact O-CA 3.46Å; E92-N122 HydrophobicContact CB-CB 4.48Å; E92-N122 PolarHBondContact N-O 2.73Å; E92-N122 PolarHBondContact O-N 3.24Å; E92-N122 PolarHBondContact OE2-ND2 2.83Å; E92-E186 HydrophobicContact CG-CG 4.37Å; E92-E187 CarbonylContact C-O 3.52Å; E92-M188 HydrophobicContact CB-CE 4.04Å; E92-M188 HydrophobicContact CB-CG 4.36Å; E92-M188 HydrophobicContact CG-CE 4.17Å; E92-M188 HydrophobicContact CG-CG 4.22Å
93R96.1Very high92.6Very high48 Ų4848.9 Ų48.918%0.18124%0.239CC..EExtended strand (participates in β ladder)trans-128.2117174.7-176.4-171.3-65.3155.5-0.8109.5Q119 R120 T121 L152 E186 E187R93-Q119 HydrophobicContact CG-CG 4.14Å; R93-R120 CarbonylContact C-O 3.6Å; R93-R120 WeakPolarHBondContact CA-O 3.44Å; R93-T121 HydrophobicContact CB-CG2 4.46Å; R93-L152 HydrophobicContact CB-CD1 3.85Å; R93-E186 WeakPolarHBondContact O-CA 3.5Å; R93-E187 HydrophobicContact CB-CB 4.36Å; R93-E187 VanDerWaalsContact CD-OE2 3.29Å; R93-E187 WeakPolarHBondContact CD-OE2 3.4Å; R93-E187 IonicContact CZ-OE2 3.74Å; R93-E187 PolarHBondContact N-O 3.33Å; R93-E187 IonicContact NE-OE2 2.62Å; R93-E187 IonicContact NH1-OE2 3.67Å; R93-E187 PolarHBondContact NH1-OE2 3.38Å; R93-E187 PolarHBondContact O-N 3.44Å
94L95.7Very high92.3Very high24 Ų2448 Ų4813%0.12624%0.238CC..EExtended strand (participates in β ladder)trans-101.3122.2175.2-58.5154000107.6F83 E92 Q119 R120 E186F83-L94 HydrophobicContact CE2-CD2 3.76Å; E92-L94 HydrophobicContact CG-CG 4.4Å; L94-Q119 CarbonylContact O-C 3.49Å; L94-Q119 VanDerWaalsContact O-CA 3.31Å; L94-Q119 WeakPolarHBondContact O-CA 3.39Å; L94-R120 PolarHBondContact N-O 3.34Å; L94-R120 PolarHBondContact O-N 2.89Å; L94-E186 HydrophobicContact CD2-CB 4.03Å; L94-E186 HydrophobicContact CD2-CG 3.75Å
95T96.1Very high92Very high5 Ų555.6 Ų55.63%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-125.4120.6-179-48.90000109.6K97 I116 M185T95-K97 HydrophobicContact CG2-CD 4.37Å; T95-K97 HydrophobicContact CG2-CG 3.73Å; T95-I116 HydrophobicContact CG2-CG2 4.13Å; T95-M185 PolarHBondContact N-O 2.95Å; T95-M185 PolarHBondContact O-N 3.3Å
96L95.1Very high92Very high54 Ų5454 Ų5428%0.28326%0.256SS..EExtended strand (participates in β ladder)trans-101.2115.8168.6-64.5177.9000108.4I117 H118 H183 E184L96-I117 HydrophobicContact CB-CB 4.41Å; L96-I117 PolarHBondContact O-N 3.33Å; L96-H118 HydrophobicContact CB-CB 4.25Å; L96-H118 HydrophobicContact CD1-CB 4.25Å; L96-H118 PolarHBondContact N-O 3.02Å; L96-H118 PolarHBondContact O-N 2.77Å; L96-H183 CarbonylContact C-O 3.59Å; L96-H183 WeakPolarHBondContact CA-O 3.46Å; L96-E184 HydrophobicContact CD2-CB 3.68Å; L96-E184 HydrophobicContact CD2-CG 3.63Å
97K94.9Very high91.9Very high48 Ų4850.3 Ų50.321%0.20924%0.24CC..EExtended strand (participates in β ladder)trans-115.1130.8178.1-57.8-177.6179.2174.70110.3T95 E114 K115 I116 I182 H183 M185T95-K97 HydrophobicContact CG2-CD 4.37Å; T95-K97 HydrophobicContact CG2-CG 3.73Å; K97-E114 IonicContact NZ-OE2 3.12Å; K97-K115 CarbonylContact C-O 3.56Å; K97-K115 WeakPolarHBondContact CA-O 3.34Å; K97-I116 HydrophobicContact CG-CG1 4.24Å; K97-I182 CarbonylContact O-C 3.51Å; K97-I182 WeakPolarHBondContact O-CA 3.45Å; K97-H183 HydrophobicContact CB-CB 4.24Å; K97-H183 PolarHBondContact N-O 2.94Å; K97-H183 PolarHBondContact O-N 3.26Å; K97-M185 HydrophobicContact CD-CE 4.24Å
98E92.8Very high91.6Very high57 Ų5755.8 Ų55.827%0.26626%0.264SS..EExtended strand (participates in β ladder)trans-82.8127.3166.5-170.1176.9-154.900109E114 K115 I117E98-E114 CarbonylContact O-C 3.41Å; E98-E114 WeakPolarHBondContact O-CA 3.41Å; E98-K115 PolarHBondContact N-O 3.31Å; E98-K115 PolarHBondContact O-N 3.41Å; E98-I117 HydrophobicContact CB-CD1 3.75Å; E98-I117 HydrophobicContact CB-CG1 3.74Å
99E92.3Very high91.2Very high32 Ų3256 Ų5615%0.1527%0.269CS..EExtended strand (participates in β ladder)trans-99.8121.4167.8-162-164.8172.600108.7C112 E114 F159 K180 G181 H183E99-C112 WeakPolarHBondContact CG-SG 3.24Å; E99-C112 PolarHBondContact OE1-SG 3.03Å; E99-E114 HydrophobicContact CG-CG 4.42Å; E99-F159 HydrophobicContact CB-CE2 4.41Å; E99-K180 HydrophobicContact CB-CB 4.35Å; E99-K180 HydrophobicContact CB-CD 4.46Å; E99-K180 HydrophobicContact CG-CD 3.83Å; E99-K180 WeakPolarHBondContact O-CB 3.42Å; E99-K180 PolarHBondContact O-N 3.05Å; E99-K180 WeakPolarHBondContact OE1-CD 3.33Å; E99-K180 IonicContact OE1-NZ 3.24Å; E99-K180 PolarHBondContact OE1-NZ 3.45Å; E99-K180 WeakPolarHBondContact OE2-CD 3.39Å; E99-G181 PolarHBondContact N-O 2.87Å; E99-G181 PolarHBondContact O-N 2.84Å; E99-H183 IonicContact OE2-NE2 2.71Å
100K89.9Confident90.8Very high33 Ų3361 Ų6114%0.14329%0.288CS..EExtended strand (participates in β ladder)trans-134.3143.1179.671-179.2-167.7164.20112V102 T113 E177 R178K100-V102 HydrophobicContact CD-CG2 4.36Å; K100-V102 HydrophobicContact CG-CG2 4.15Å; K100-T113 VanDerWaalsContact CG-OG1 3.23Å; K100-T113 WeakPolarHBondContact CG-OG1 3.44Å; K100-T113 PolarHBondContact N-O 2.88Å; K100-T113 PolarHBondContact O-N 2.83Å; K100-T113 VanDerWaalsContact O-O 3.08Å; K100-T113 PolarHBondContact O-OG1 3.21Å; K100-E177 IonicContact NZ-OE1 3.93Å; K100-E177 PolarHBondContact NZ-OE1 2.9Å; K100-E177 IonicContact NZ-OE2 3.77Å; K100-E177 PolarHBondContact NZ-OE2 2.87Å; K100-R178 CarbonylContact C-O 3.55Å; K100-R178 WeakPolarHBondContact CA-O 3.32Å
101M88.3Confident90.5Very high48 Ų4864.3 Ų64.324%0.23631%0.306CS..EExtended strand (participates in β ladder)trans-88.7124.5169.9-64.4-64.8-137.600109.3W110 N111 C112 E177 R178 K180M101-W110 HydrophobicContact CB-CE3 3.73Å; M101-W110 HydrophobicContact CB-CZ3 4.34Å; M101-N111 CarbonylContact C-O 3.54Å; M101-N111 WeakPolarHBondContact CA-O 3.42Å; M101-C112 HydrophobicContact SD-CB 3.74Å; M101-E177 CarbonylContact O-C 3.57Å; M101-E177 WeakPolarHBondContact O-CA 3.47Å; M101-R178 HydrophobicContact CB-CB 4.25Å; M101-R178 PolarHBondContact N-O 3.42Å; M101-R178 PolarHBondContact O-N 3.13Å; M101-K180 HydrophobicContact CG-CD 4.08Å; M101-K180 HydrophobicContact CG-CG 4.07Å; M101-K180 HydrophobicContact SD-CD 4.35Å; M101-K180 WeakPolarHBondContact SD-CE 3.42Å
102V89.9Confident90.1Very high40 Ų4067.2 Ų67.224%0.24233%0.325CS..EExtended strand (participates in β ladder)trans-111.8127.3176.7-179.40000108.8K100 N104 N111 T113 E177K100-V102 HydrophobicContact CD-CG2 4.36Å; K100-V102 HydrophobicContact CG-CG2 4.15Å; V102-N104 PolarHBondContact O-N 2.89Å; V102-N111 PolarHBondContact N-O 3.02Å; V102-N111 PolarHBondContact O-N 2.82Å; V102-T113 HydrophobicContact CG2-CG2 4.23Å; V102-T113 WeakPolarHBondContact CG2-OG1 3.39Å; V102-E177 HydrophobicContact CG2-CG 4.4Å
103W86.9Confident89.8Confident89 Ų8969.3 Ų69.334%0.33734%0.339SS..EExtended strand (participates in β ladder)trans-74.3115.1175.3179.6-104.7000110.4R105 H108 W110 G176W103-R105 PolarHBondContact O-N 3.34Å; W103-H108 HydrophobicContact CH2-CB 3.98Å; W103-H108 WeakPolarHBondContact CH2-O 3.46Å; W103-H108 HydrophobicContact CZ2-CB 3.79Å; W103-H108 AromaticContact CZ2-ND1 3.8Å; W103-H108 VanDerWaalsContact CZ3-O 3.31Å; W103-H108 WeakPolarHBondContact CZ3-O 3.43Å; W103-W110 HydrophobicContact CB-CD2 4.33Å; W103-W110 HydrophobicContact CB-CE3 4.01Å; W103-W110 HydrophobicContact CB-CH2 4.03Å; W103-W110 HydrophobicContact CB-CZ2 4.31Å; W103-W110 HydrophobicContact CB-CZ3 3.87Å; W103-W110 AromaticContact CE3-CD1 3.51Å; W103-W110 AromaticContact CE3-CD2 3.77Å; W103-W110 HydrophobicContact CE3-CD2 3.77Å; W103-W110 AromaticContact CE3-CE2 3.53Å; W103-W110 AromaticContact CE3-CG 3.78Å; W103-W110 HydrophobicContact CE3-CG 3.78Å; W103-W110 HydrophobicContact CE3-CZ2 4.17Å; W103-W110 AromaticContact CE3-NE1 3.33Å; W103-W110 VanDerWaalsContact CE3-NE1 3.33Å; W103-W110 AromaticContact CZ3-CD1 3.52Å; W103-W110 HydrophobicContact CZ3-CG 4.2Å; W103-W110 AromaticContact CZ3-NE1 3.46Å; W103-G176 PolarHBondContact N-O 2.95Å
104N85.7Confident89.6Confident49 Ų4973.1 Ų73.126%0.26236%0.358SS..EExtended strand (participates in β ladder)trans-84112.5174.4-173.3-26.4000109.8V102 T106 T107 H108 L109V102-N104 PolarHBondContact O-N 2.89Å; N104-T106 PolarHBondContact O-N 3.1Å; N104-T106 WeakPolarHBondContact OD1-CB 3.44Å; N104-T106 PolarHBondContact OD1-N 2.9Å; N104-T107 VanDerWaalsContact CB-OG1 3.32Å; N104-T107 WeakPolarHBondContact CB-OG1 3.49Å; N104-T107 VanDerWaalsContact CG-OG1 3.27Å; N104-T107 PolarHBondContact ND2-OG1 2.56Å; N104-T107 PolarHBondContact OD1-N 2.98Å; N104-H108 VanDerWaalsContact O-CA 3.31Å; N104-H108 WeakPolarHBondContact O-CA 3.14Å; N104-H108 PolarHBondContact O-N 2.87Å; N104-L109 WeakPolarHBondContact CB-O 3.46Å; N104-L109 PolarHBondContact N-O 3.29Å
105R84.9Confident89.4Confident213 Ų21377.6 Ų77.680%0.80438%0.377SS*.THydrogen-bonded Turntrans-63.4-25.3-179.3-66.5-174.1178.6-173.8-0.6113.7W103W103-R105 PolarHBondContact O-N 3.34Å
106T87.1Confident89.2Confident125 Ų12581.6 Ų81.677%0.76740%0.397SS*.THydrogen-bonded Turntrans-84.7-41.7-176.9-48.40000111.7N104N104-T106 PolarHBondContact O-N 3.1Å; N104-T106 WeakPolarHBondContact OD1-CB 3.44Å; N104-T106 PolarHBondContact OD1-N 2.9Å
107T87.5Confident89.1Confident72 Ų7283.2 Ų83.244%0.44241%0.405SS..THydrogen-bonded Turntrans-93.9-9.8-179.260.20000113.3N104 L109N104-T107 VanDerWaalsContact CB-OG1 3.32Å; N104-T107 WeakPolarHBondContact CB-OG1 3.49Å; N104-T107 VanDerWaalsContact CG-OG1 3.27Å; N104-T107 PolarHBondContact ND2-OG1 2.56Å; N104-T107 PolarHBondContact OD1-N 2.98Å; T107-L109 PolarHBondContact O-N 2.72Å
108H84.9Confident89.1Confident127 Ų12785.9 Ų85.959%0.58842%0.418SS*.THydrogen-bonded Turntrans52.535.4-172.6-64.1-92.6000112.8W103 N104W103-H108 HydrophobicContact CH2-CB 3.98Å; W103-H108 WeakPolarHBondContact CH2-O 3.46Å; W103-H108 HydrophobicContact CZ2-CB 3.79Å; W103-H108 AromaticContact CZ2-ND1 3.8Å; W103-H108 VanDerWaalsContact CZ3-O 3.31Å; W103-H108 WeakPolarHBondContact CZ3-O 3.43Å; N104-H108 VanDerWaalsContact O-CA 3.31Å; N104-H108 WeakPolarHBondContact O-CA 3.14Å; N104-H108 PolarHBondContact O-N 2.87Å
109L87.2Confident89.2Confident107 Ų10787.4 Ų87.456%0.5643%0.425SS*.EExtended strand (participates in β ladder)trans-122.2146.2178.4-69169000110.3N104 T107N104-L109 WeakPolarHBondContact CB-O 3.46Å; N104-L109 PolarHBondContact N-O 3.29Å; T107-L109 PolarHBondContact O-N 2.72Å
110W84.7Confident89.3Confident103 Ų10392.2 Ų92.239%0.3944%0.442SS..EExtended strand (participates in β ladder)trans-78.9117.3168.1-71.497.6000109.2M101 W103 R178M101-W110 HydrophobicContact CB-CE3 3.73Å; M101-W110 HydrophobicContact CB-CZ3 4.34Å; W103-W110 HydrophobicContact CB-CD2 4.33Å; W103-W110 HydrophobicContact CB-CE3 4.01Å; W103-W110 HydrophobicContact CB-CH2 4.03Å; W103-W110 HydrophobicContact CB-CZ2 4.31Å; W103-W110 HydrophobicContact CB-CZ3 3.87Å; W103-W110 AromaticContact CE3-CD1 3.51Å; W103-W110 AromaticContact CE3-CD2 3.77Å; W103-W110 HydrophobicContact CE3-CD2 3.77Å; W103-W110 AromaticContact CE3-CE2 3.53Å; W103-W110 AromaticContact CE3-CG 3.78Å; W103-W110 HydrophobicContact CE3-CG 3.78Å; W103-W110 HydrophobicContact CE3-CZ2 4.17Å; W103-W110 AromaticContact CE3-NE1 3.33Å; W103-W110 VanDerWaalsContact CE3-NE1 3.33Å; W103-W110 AromaticContact CZ3-CD1 3.52Å; W103-W110 HydrophobicContact CZ3-CG 4.2Å; W103-W110 AromaticContact CZ3-NE1 3.46Å; W110-R178 HydrophobicContact CZ3-CB 4.19Å
111N89.1Confident89.6Confident70 Ų7092.9 Ų92.937%0.37445%0.449SS..EExtended strand (participates in β ladder)trans-97.9130.7175.5-73.3-18.5000109.8M101 V102M101-N111 CarbonylContact C-O 3.54Å; M101-N111 WeakPolarHBondContact CA-O 3.42Å; V102-N111 PolarHBondContact N-O 3.02Å; V102-N111 PolarHBondContact O-N 2.82Å
112C87.6Confident89.9Confident61 Ų6192.2 Ų92.241%0.41245%0.447SS..EExtended strand (participates in β ladder)trans-75129.8168.9-160.50000109.6E99 M101 K180E99-C112 WeakPolarHBondContact CG-SG 3.24Å; E99-C112 PolarHBondContact OE1-SG 3.03Å; M101-C112 HydrophobicContact SD-CB 3.74Å; C112-K180 PolarHBondContact SG-NZ 2.93Å
113T88.6Confident90.1Very high50 Ų5093.3 Ų93.331%0.30745%0.453SS..EExtended strand (participates in β ladder)trans-131136177.557.20000109.1K100 V102K100-T113 VanDerWaalsContact CG-OG1 3.23Å; K100-T113 WeakPolarHBondContact CG-OG1 3.44Å; K100-T113 PolarHBondContact N-O 2.88Å; K100-T113 PolarHBondContact O-N 2.83Å; K100-T113 VanDerWaalsContact O-O 3.08Å; K100-T113 PolarHBondContact O-OG1 3.21Å; V102-T113 HydrophobicContact CG2-CG2 4.23Å; V102-T113 WeakPolarHBondContact CG2-OG1 3.39Å
114E91.7Very high90.5Very high128 Ų12890.2 Ų90.260%0.59844%0.444SS*.EExtended strand (participates in β ladder)trans-103138.3173.5-68172.7-152.100109.2K97 E98 E99K97-E114 IonicContact NZ-OE2 3.12Å; E98-E114 CarbonylContact O-C 3.41Å; E98-E114 WeakPolarHBondContact O-CA 3.41Å; E99-E114 HydrophobicContact CG-CG 4.42Å
115K91.3Very high90.9Very high119 Ų11991.4 Ų91.452%0.51746%0.455SS..EExtended strand (participates in β ladder)trans-130.6124.3175.4-178-175.2174.3-168.70109.4K97 E98 I117K97-K115 CarbonylContact C-O 3.56Å; K97-K115 WeakPolarHBondContact CA-O 3.34Å; E98-K115 PolarHBondContact N-O 3.31Å; E98-K115 PolarHBondContact O-N 3.41Å; K115-I117 PolarHBondContact O-N 3.2Å
116I93.5Very high91.4Very high88 Ų8881.4 Ų81.445%0.45142%0.417SS..EExtended strand (participates in β ladder)trans-69.2116.9173.4-57.1173.5000108.1T95 K97 Q119T95-I116 HydrophobicContact CG2-CG2 4.13Å; K97-I116 HydrophobicContact CG-CG1 4.24Å; I116-Q119 HydrophobicContact CG2-CB 3.97Å
117I92.2Very high91.8Very high88 Ų8875.7 Ų75.745%0.45138%0.382SS..EExtended strand (participates in β ladder)trans-81.3-48.3175.5-52.4173.6000108.9L96 E98 K115 I182L96-I117 HydrophobicContact CB-CB 4.41Å; L96-I117 PolarHBondContact O-N 3.33Å; E98-I117 HydrophobicContact CB-CD1 3.75Å; E98-I117 HydrophobicContact CB-CG1 3.74Å; K115-I117 PolarHBondContact O-N 3.2Å; I117-I182 HydrophobicContact CD1-CD1 4.3Å; I117-I182 HydrophobicContact CD1-CG1 4.2Å; I117-I182 HydrophobicContact CD1-CG2 4.08Å
118H94.6Very high92.1Very high104 Ų10472.2 Ų72.248%0.48136%0.361SS..EExtended strand (participates in β ladder)trans-148.6139.4-177-172.568.2000109.9L96L96-H118 HydrophobicContact CB-CB 4.25Å; L96-H118 HydrophobicContact CD1-CB 4.25Å; L96-H118 PolarHBondContact N-O 3.02Å; L96-H118 PolarHBondContact O-N 2.77Å
119Q94.9Very high92.4Very high90 Ų9066.2 Ų66.242%0.42133%0.333SS..EExtended strand (participates in β ladder)trans-139.3125.5173.1-174.8179.4-20.400109R93 L94 I116R93-Q119 HydrophobicContact CG-CG 4.14Å; L94-Q119 CarbonylContact O-C 3.49Å; L94-Q119 VanDerWaalsContact O-CA 3.31Å; L94-Q119 WeakPolarHBondContact O-CA 3.39Å; I116-Q119 HydrophobicContact CG2-CB 3.97Å
120R95.3Very high92.6Very high132 Ų13261.4 Ų61.450%0.49831%0.309SS..EExtended strand (participates in β ladder)trans-121.8131175.5-179.4179.1175.4-175.60.3108.5R93 L94 N122R93-R120 CarbonylContact C-O 3.6Å; R93-R120 WeakPolarHBondContact CA-O 3.44Å; L94-R120 PolarHBondContact N-O 3.34Å; L94-R120 PolarHBondContact O-N 2.89Å; R120-N122 PolarHBondContact NE-ND2 3.35Å; R120-N122 PolarHBondContact NE-OD1 2.77Å; R120-N122 PolarHBondContact NH2-OD1 3.28Å
121T95.1Very high92.7Very high47 Ų4761.9 Ų61.929%0.28831%0.311SS..EExtended strand (participates in β ladder)trans-122.1119.5175-51.60000109.1I91 E92 R93 T123 L145I91-T121 HydrophobicContact CG2-CG2 4.26Å; E92-T121 CarbonylContact O-C 3.57Å; E92-T121 VanDerWaalsContact O-CA 3.3Å; E92-T121 WeakPolarHBondContact O-CA 3.46Å; R93-T121 HydrophobicContact CB-CG2 4.46Å; T121-T123 HydrophobicContact CG2-CG2 4.29Å; T121-L145 HydrophobicContact CG2-CD2 3.76Å
122N95.1Very high92.5Very high35 Ų3563.3 Ų63.319%0.18732%0.319CS..EExtended strand (participates in β ladder)trans-106.4140.2174.4-58.4-43.6000108.5L79 I91 E92 R120L79-N122 HydrophobicContact CD1-CB 4.03Å; I91-N122 WeakPolarHBondContact CA-O 3.35Å; E92-N122 HydrophobicContact CB-CB 4.48Å; E92-N122 PolarHBondContact N-O 2.73Å; E92-N122 PolarHBondContact O-N 3.24Å; E92-N122 PolarHBondContact OE2-ND2 2.83Å; R120-N122 PolarHBondContact NE-ND2 3.35Å; R120-N122 PolarHBondContact NE-OD1 2.77Å; R120-N122 PolarHBondContact NH2-OD1 3.28Å
123T94.1Very high91.9Very high63 Ų6369 Ų6939%0.38734%0.339SS..EExtended strand (participates in β ladder)trans-138.1136.8179.463.30000110.4I91 T121 L145I91-T123 HydrophobicContact CG1-CG2 4.07Å; I91-T123 HydrophobicContact CG2-CG2 4.18Å; T121-T123 HydrophobicContact CG2-CG2 4.29Å; T123-L145 HydrophobicContact CG2-CD1 4.01Å; T123-L145 HydrophobicContact CG2-CD2 3.79Å; T123-L145 HydrophobicContact CG2-CG 3.97Å
124V95.2Very high91.4Very high24 Ų2474.2 Ų74.215%0.14537%0.366CS..  trans-112.4154.2170.3-680000110.5D77 L79 V90 F126D77-V124 WeakPolarHBondContact O-CG2 3.4Å; L79-V124 HydrophobicContact CD1-CG1 4.3Å; L79-V124 HydrophobicContact CD1-CG2 4.37Å; L79-V124 HydrophobicContact CD2-CG1 3.71Å; L79-V124 HydrophobicContact CG-CG1 3.77Å; L79-V124 HydrophobicContact CG-CG2 4.06Å; V90-V124 HydrophobicContact CB-CG2 4.05Å; V90-V124 HydrophobicContact CG1-CG2 4.39Å; V90-V124 VanDerWaalsContact O-CG2 3.3Å; V90-V124 WeakPolarHBondContact O-CG2 3.12Å; V90-V124 PolarHBondContact O-N 2.97Å; V124-F126 WeakPolarHBondContact O-CD1 3.45Å; V124-F126 PolarHBondContact O-N 2.81Å
125P94.7Very high90.9Very high74 Ų7469.1 Ų69.148%0.48134%0.342SS..  trans-63.6127.3176.6-21.733.5000112.3V75V75-P125 PolarHBondContact N-O 2.75Å
126F95.1Very high90.3Very high2 Ų268.3 Ų68.31%0.00935%0.352CS..EExtended strand (participates in β ladder)trans-134.6165.5178.468.9-85.2000112V72 R73 V90 I91 V124 L128 V141 P144 L189 L221V72-F126 HydrophobicContact CG1-CD2 4.05Å; V72-F126 HydrophobicContact CG1-CG 4.48Å; R73-F126 WeakPolarHBondContact O-CA 3.11Å; R73-F126 WeakPolarHBondContact O-CB 3.19Å; V90-F126 HydrophobicContact CB-CB 3.75Å; V90-F126 HydrophobicContact CB-CD1 3.74Å; V90-F126 HydrophobicContact CB-CG 3.83Å; V90-F126 HydrophobicContact CG1-CB 3.55Å; V90-F126 HydrophobicContact CG1-CD1 4.5Å; V90-F126 HydrophobicContact CG1-CG 4.11Å; V90-F126 HydrophobicContact CG2-CB 4.12Å; V90-F126 HydrophobicContact CG2-CD1 3.67Å; V90-F126 HydrophobicContact CG2-CD2 4.09Å; V90-F126 HydrophobicContact CG2-CE1 4.03Å; V90-F126 HydrophobicContact CG2-CE2 4.41Å; V90-F126 HydrophobicContact CG2-CG 3.7Å; V90-F126 HydrophobicContact CG2-CZ 4.39Å; I91-F126 HydrophobicContact CD1-CE1 3.93Å; I91-F126 HydrophobicContact CD1-CZ 4.17Å; I91-F126 HydrophobicContact CG1-CE1 4.1Å; V124-F126 WeakPolarHBondContact O-CD1 3.45Å; V124-F126 PolarHBondContact O-N 2.81Å; F126-L128 HydrophobicContact CE2-CD2 4.49Å; F126-V141 HydrophobicContact CD2-CB 4.26Å; F126-V141 HydrophobicContact CD2-CG2 4.06Å; F126-V141 HydrophobicContact CE1-CB 4.43Å; F126-V141 HydrophobicContact CE2-CB 3.74Å; F126-V141 HydrophobicContact CE2-CG1 4.12Å; F126-V141 HydrophobicContact CE2-CG2 3.56Å; F126-V141 HydrophobicContact CZ-CB 3.83Å; F126-V141 HydrophobicContact CZ-CG1 3.82Å; F126-V141 HydrophobicContact CZ-CG2 4.13Å; F126-V141 PolarHBondContact O-N 3.5Å; F126-P144 HydrophobicContact CE1-CB 3.96Å; F126-P144 HydrophobicContact CE1-CG 3.99Å; F126-P144 HydrophobicContact CZ-CB 4.04Å; F126-L189 HydrophobicContact CE2-CD2 4.25Å; F126-L189 HydrophobicContact CZ-CD2 4.17Å; F126-L221 HydrophobicContact CZ-CD2 3.92Å
127A94.8Very high89.9Confident5 Ų564.5 Ų64.54%0.04133%0.332CS..EExtended strand (participates in β ladder)trans-131.9155.2176.200000110.1R73 V75 V139R73-A127 PolarHBondContact N-O 2.94Å; R73-A127 PolarHBondContact O-N 2.82Å; R73-A127 VanDerWaalsContact O-O 3.12Å; V75-A127 HydrophobicContact CG2-CB 4.09Å; A127-V139 CarbonylContact C-O 3.3Å; A127-V139 WeakPolarHBondContact CA-O 3.42Å; A127-V139 WeakPolarHBondContact CB-O 3.17Å
128L94.1Very high89.8Confident0 Ų063 Ų630%033%0.328CS..EExtended strand (participates in β ladder)trans-90.8123.4168.8-56.5178.3000107.9I47 I68 L71 V72 F126 T138 V139 V141 V195I47-L128 HydrophobicContact CD1-CB 3.91Å; I68-L128 HydrophobicContact CG2-CD1 4.44Å; L71-L128 CarbonylContact O-C 3.56Å; L71-L128 WeakPolarHBondContact O-CA 3.39Å; V72-L128 HydrophobicContact CG2-CD2 4.07Å; F126-L128 HydrophobicContact CE2-CD2 4.49Å; L128-T138 CarbonylContact O-C 3.44Å; L128-T138 WeakPolarHBondContact O-CA 3.23Å; L128-V139 HydrophobicContact CB-CB 4.41Å; L128-V139 PolarHBondContact N-O 2.83Å; L128-V139 PolarHBondContact O-N 2.75Å; L128-V141 HydrophobicContact CD1-CG2 4.15Å; L128-V141 HydrophobicContact CD2-CG2 4.37Å; L128-V141 HydrophobicContact CG-CG2 3.81Å; L128-V195 HydrophobicContact CD2-CB 4.09Å; L128-V195 HydrophobicContact CD2-CG1 4.44Å
129G92.1Very high89.8Confident0 Ų058.1 Ų58.10%031%0.305CS..EExtended strand (participates in β ladder)trans-103.2163.3173.300000111.4G70 L71G70-G129 CarbonylContact C-O 3.55Å; G70-G129 VanDerWaalsContact CA-O 3.3Å; G70-G129 WeakPolarHBondContact CA-O 3.38Å; L71-G129 PolarHBondContact N-O 2.96Å; L71-G129 PolarHBondContact O-N 2.88Å
130S91.2Very high89.8Confident7 Ų758.4 Ų58.45%0.04930%0.302CS..PPolyproline II helixtrans-64.3160169.8-161.20000111.6I47 R73I47-S130 WeakPolarHBondContact O-CB 3.3Å; I47-S130 PolarHBondContact O-OG 3.45Å; R73-S130 PolarHBondContact NH2-O 2.8Å
131Y86Confident89.8Confident112 Ų11252.6 Ų52.644%0.43928%0.281SS..SBendtrans-66.8-30.4170.6-64.7-81.1000111.4L71L71-Y131 HydrophobicContact CD1-CD1 3.97Å; L71-Y131 HydrophobicContact CD2-CD1 3.75Å; L71-Y131 HydrophobicContact CD2-CE1 3.59Å; L71-Y131 HydrophobicContact CG-CD1 3.7Å; L71-Y131 HydrophobicContact CG-CE1 3.9Å; L71-Y131 HydrophobicContact CG-CG 4.43Å
132D84.5Confident89.7Confident100 Ų10052.2 Ų52.254%0.53528%0.279SS..SBendtrans-84.2125177.6-66.1-28.1000110.9N134 I135D132-N134 PolarHBondContact O-N 3.37Å; D132-I135 HydrophobicContact CB-CD1 4.05Å; D132-I135 HydrophobicContact CB-CG1 4.19Å; D132-I135 PolarHBondContact O-N 2.62Å
133E76.5Confident89.6Confident180 Ų18057.1 Ų57.184%0.84130%0.295SS*.THydrogen-bonded Turntrans-65-24178.7-65.6-166.1161.100113.3I135E133-I135 PolarHBondContact O-N 3.19Å
134N77.3Confident89.5Confident160 Ų16054.9 Ų54.986%0.85628%0.281SS*.THydrogen-bonded Turntrans-70.3-18.2178.9-67.1-26.7000113.2D132D132-N134 PolarHBondContact O-N 3.37Å
135I80.9Confident89.4Confident22 Ų2258 Ų5811%0.11330%0.297CS..  trans-95110.7-179-58.3174.9000108.8D132 E133 T137D132-I135 HydrophobicContact CB-CD1 4.05Å; D132-I135 HydrophobicContact CB-CG1 4.19Å; D132-I135 PolarHBondContact O-N 2.62Å; E133-I135 PolarHBondContact O-N 3.19Å; I135-T137 VanDerWaalsContact C-N 3.29Å
136S79.1Confident89.3Confident102 Ų10258.4 Ų58.471%0.71330%0.295SS*.  trans-83-3177.663.20000113.9T138S136-T138 PolarHBondContact O-N 2.71Å
137T85.1Confident89.1Confident7 Ų759 Ų594%0.04330%0.3CS..  trans-63.9124.9175.5-49.90000109.8I47 D48 L51 I135 I208I47-T137 HydrophobicContact CG2-CG2 4.23Å; I47-T137 VanDerWaalsContact CG2-O 3.31Å; I47-T137 WeakPolarHBondContact CG2-O 3.31Å; D48-T137 PolarHBondContact O-OG1 2.66Å; L51-T137 HydrophobicContact CB-CG2 4.38Å; L51-T137 HydrophobicContact CD2-CG2 4.3Å; I135-T137 VanDerWaalsContact C-N 3.29Å; T137-I208 HydrophobicContact CG2-CD1 3.68Å
138T90.6Very high88.8Confident58 Ų5863.7 Ų63.736%0.35633%0.328SS..EExtended strand (participates in β ladder)trans-130.1146.5177.454.70000110.4L128 S136L128-T138 CarbonylContact O-C 3.44Å; L128-T138 WeakPolarHBondContact O-CA 3.23Å; S136-T138 PolarHBondContact O-N 2.71Å
139V94.1Very high88.4Confident0 Ų065.4 Ų65.40%034%0.336CS..EExtended strand (participates in β ladder)trans-113.4109.5-179.4178.70000108.6I47 L51 I68 A127 L128 V141 L201 I208 L210I47-V139 HydrophobicContact CD1-CG2 4.35Å; I47-V139 HydrophobicContact CG1-CG2 4.29Å; I47-V139 HydrophobicContact CG2-CG2 4.46Å; L51-V139 HydrophobicContact CD2-CG2 3.94Å; I68-V139 HydrophobicContact CD1-CG1 3.93Å; I68-V139 HydrophobicContact CD1-CG2 4.23Å; I68-V139 HydrophobicContact CG2-CG2 4.49Å; A127-V139 CarbonylContact C-O 3.3Å; A127-V139 WeakPolarHBondContact CA-O 3.42Å; A127-V139 WeakPolarHBondContact CB-O 3.17Å; L128-V139 HydrophobicContact CB-CB 4.41Å; L128-V139 PolarHBondContact N-O 2.83Å; L128-V139 PolarHBondContact O-N 2.75Å; V139-V141 PolarHBondContact O-N 2.64Å; V139-L201 HydrophobicContact CG1-CD1 3.9Å; V139-I208 HydrophobicContact CB-CG2 4.42Å; V139-I208 HydrophobicContact CG1-CG2 4.09Å; V139-I208 HydrophobicContact CG2-CB 4.35Å; V139-I208 HydrophobicContact CG2-CG2 3.95Å; V139-L210 HydrophobicContact CG1-CB 3.79Å
140R94.3Very high88.3Confident97 Ų9766.8 Ų66.837%0.36634%0.343SS..EExtended strand (participates in β ladder)trans-75127.9-178.2-172.1166.7-178.8169.5-1.6111I208 K209 L210R140-I208 PolarHBondContact N-O 3.12Å; R140-K209 CarbonylContact O-C 3.55Å; R140-K209 WeakPolarHBondContact O-CA 3.15Å; R140-L210 PolarHBondContact O-N 3.3Å
141V95.2Very high88.2Confident9 Ų969 Ų696%0.05535%0.354CS..EExtended strand (participates in β ladder)trans-86.5126.4178.2-175.70000109.3F126 L128 V139 P144 Y219 L221F126-V141 HydrophobicContact CD2-CB 4.26Å; F126-V141 HydrophobicContact CD2-CG2 4.06Å; F126-V141 HydrophobicContact CE1-CB 4.43Å; F126-V141 HydrophobicContact CE2-CB 3.74Å; F126-V141 HydrophobicContact CE2-CG1 4.12Å; F126-V141 HydrophobicContact CE2-CG2 3.56Å; F126-V141 HydrophobicContact CZ-CB 3.83Å; F126-V141 HydrophobicContact CZ-CG1 3.82Å; F126-V141 HydrophobicContact CZ-CG2 4.13Å; F126-V141 PolarHBondContact O-N 3.5Å; L128-V141 HydrophobicContact CD1-CG2 4.15Å; L128-V141 HydrophobicContact CD2-CG2 4.37Å; L128-V141 HydrophobicContact CG-CG2 3.81Å; V139-V141 PolarHBondContact O-N 2.64Å; V141-P144 HydrophobicContact CG1-CB 4.22Å; V141-Y219 VanDerWaalsContact CG1-OH 3.22Å; V141-Y219 WeakPolarHBondContact CG1-OH 3.25Å; V141-L221 HydrophobicContact CG1-CD1 4.49Å; V141-L221 HydrophobicContact CG1-CD2 4.34Å
142V94Very high88.5Confident40 Ų4064.1 Ų64.124%0.24234%0.336CS..  trans-111.1128.6-178.5179.70000109.2K209 L210 Q211V142-K209 HydrophobicContact CG2-CB 4.08Å; V142-K209 HydrophobicContact CG2-CD 4.39Å; V142-K209 HydrophobicContact CG2-CG 4.3Å; V142-L210 PolarHBondContact N-O 3.03Å; V142-Q211 HydrophobicContact CB-CB 4.13Å; V142-Q211 HydrophobicContact CG1-CB 4.5Å
143R93.1Very high88.9Confident138 Ų13861.5 Ų61.552%0.52132%0.32SS..  trans53.163.2-179.9-62.8-175.5-66.3150.4-9.6113.4L145 D146 P212 Y219R143-L145 PolarHBondContact O-N 3.45Å; R143-D146 HydrophobicContact CB-CB 4.39Å; R143-D146 VanDerWaalsContact CD-OD2 3.3Å; R143-D146 WeakPolarHBondContact CD-OD2 3.29Å; R143-D146 IonicContact CZ-OD2 3.79Å; R143-D146 IonicContact NE-OD2 2.82Å; R143-D146 IonicContact NH1-OD2 2.91Å; R143-D146 PolarHBondContact NH1-OD2 3.19Å; R143-D146 PolarHBondContact O-N 2.69Å; R143-P212 HydrophobicContact CB-CG 4.15Å; R143-Y219 WeakPolarHBondContact O-CE1 3.46Å
144P92.7Very high89.8Confident16 Ų1656.2 Ų56.210%0.10430%0.3CS..G310 helixtrans-63-24.7-177.528-36.9000113.9I91 F126 V141 D146 A147 L221I91-P144 HydrophobicContact CD1-CB 3.89Å; I91-P144 HydrophobicContact CD1-CG 4.23Å; F126-P144 HydrophobicContact CE1-CB 3.96Å; F126-P144 HydrophobicContact CE1-CG 3.99Å; F126-P144 HydrophobicContact CZ-CB 4.04Å; V141-P144 HydrophobicContact CG1-CB 4.22Å; P144-D146 VanDerWaalsContact C-N 3.31Å; P144-D146 PolarHBondContact O-N 3.28Å; P144-A147 WeakPolarHBondContact O-CB 3.27Å; P144-A147 PolarHBondContact O-N 2.98Å; P144-L221 HydrophobicContact CB-CD2 3.97Å
145L92.3Very high90.5Very high89 Ų8949.4 Ų49.447%0.46627%0.265SS..G310 helixtrans-75.8-17.3-179.6-59-179.4000113.8T121 T123 R143 A147 L150T121-L145 HydrophobicContact CG2-CD2 3.76Å; T123-L145 HydrophobicContact CG2-CD1 4.01Å; T123-L145 HydrophobicContact CG2-CD2 3.79Å; T123-L145 HydrophobicContact CG2-CG 3.97Å; R143-L145 PolarHBondContact O-N 3.45Å; L145-A147 PolarHBondContact O-N 2.86Å; L145-L150 HydrophobicContact CD2-CD2 4.08Å
146D91.5Very high91.1Very high83 Ų8351.3 Ų51.344%0.44427%0.271SS..G310 helixtrans-78.7-2.8176.9-67.3-8.2000111.9R143 P144 P212R143-D146 HydrophobicContact CB-CB 4.39Å; R143-D146 VanDerWaalsContact CD-OD2 3.3Å; R143-D146 WeakPolarHBondContact CD-OD2 3.29Å; R143-D146 IonicContact CZ-OD2 3.79Å; R143-D146 IonicContact NE-OD2 2.82Å; R143-D146 IonicContact NH1-OD2 2.91Å; R143-D146 PolarHBondContact NH1-OD2 3.19Å; R143-D146 PolarHBondContact O-N 2.69Å; P144-D146 VanDerWaalsContact C-N 3.31Å; P144-D146 PolarHBondContact O-N 3.28Å; D146-P212 HydrophobicContact CB-CG 4.21Å
147A91.9Very high91.8Very high13 Ų1352 Ų5211%0.10726%0.263CS..  trans-67.4133178.700000110.7P144 L145 E149 Y219 L221P144-A147 WeakPolarHBondContact O-CB 3.27Å; P144-A147 PolarHBondContact O-N 2.98Å; L145-A147 PolarHBondContact O-N 2.86Å; A147-E149 PolarHBondContact O-N 2.89Å; A147-Y219 CarbonylContact C-O 3.57Å; A147-Y219 WeakPolarHBondContact CA-O 3.28Å; A147-Y219 HydrophobicContact CB-CD1 3.71Å; A147-Y219 HydrophobicContact CB-CE1 3.96Å; A147-Y219 HydrophobicContact CB-CG 4.5Å; A147-L221 HydrophobicContact CB-CB 3.94Å
148V88.4Confident92.3Very high104 Ų10454.4 Ų54.463%0.6328%0.275SS*.SBendtrans-61.5-32.91771750000111.1C218 Y219 F220V148-C218 HydrophobicContact CG2-CB 4.09Å; V148-Y219 PolarHBondContact N-O 3.47Å; V148-F220 HydrophobicContact CB-CD1 4.5Å; V148-F220 HydrophobicContact CB-CE1 4.28Å; V148-F220 HydrophobicContact CG1-CE1 4.36Å
149E85.8Confident92.4Very high37 Ų3755.1 Ų55.117%0.17327%0.274CS..EExtended strand (participates in β ladder)trans-134.8105.6179-163.1166.4174.200107.8A147 F220 L221 K232 Q233A147-E149 PolarHBondContact O-N 2.89Å; E149-F220 HydrophobicContact CB-CD1 3.94Å; E149-F220 HydrophobicContact CB-CE1 4.49Å; E149-L221 CarbonylContact O-C 3.52Å; E149-L221 VanDerWaalsContact O-C 3.3Å; E149-L221 PolarHBondContact O-N 3.43Å; E149-K232 WeakPolarHBondContact OE1-CE 3.42Å; E149-K232 IonicContact OE1-NZ 2.64Å; E149-K232 PolarHBondContact OE1-NZ 3.35Å; E149-Q233 PolarHBondContact OE2-NE2 2.87Å
150L89.9Confident92.2Very high28 Ų2859 Ų5915%0.14729%0.292CS..EExtended strand (participates in β ladder)trans-111.1104.3173.6-179.764.4000108.6I91 L145 L152 L221I91-L150 HydrophobicContact CD1-CD1 4.09Å; I91-L150 HydrophobicContact CD1-CD2 4.24Å; L145-L150 HydrophobicContact CD2-CD2 4.08Å; L150-L152 HydrophobicContact CD1-CD2 4.27Å; L150-L152 HydrophobicContact CD2-CD2 4.26Å; L150-L152 HydrophobicContact CD2-CG 4.49Å; L150-L152 HydrophobicContact CG-CD2 4Å; L150-L152 HydrophobicContact CG-CG 4.21Å; L150-L221 WeakPolarHBondContact CA-O 3.38Å; L150-L221 HydrophobicContact CD1-CB 4.05Å; L150-L221 HydrophobicContact CD1-CD2 3.65Å; L150-L221 HydrophobicContact CD1-CG 4.12Å
151D88.7Confident92Very high53 Ų5358.7 Ų58.728%0.28330%0.302SS..  trans-90.9118.2-179-161.411.1000109.7L221 R223D151-L221 PolarHBondContact N-O 2.84Å; D151-R223 HydrophobicContact CB-CB 4.47Å; D151-R223 HydrophobicContact CB-CG 4.32Å; D151-R223 WeakPolarHBondContact O-CD 3.45Å
152L93.6Very high91.4Very high10 Ų1060.7 Ų60.75%0.05231%0.314CS..  trans-116.2146.7-179.4-59.4179.6000109.1I91 R93 L150 E187 L189I91-L152 HydrophobicContact CB-CD2 4.16Å; I91-L152 HydrophobicContact CG2-CD1 4.14Å; I91-L152 HydrophobicContact CG2-CD2 3.88Å; R93-L152 HydrophobicContact CB-CD1 3.85Å; L150-L152 HydrophobicContact CD1-CD2 4.27Å; L150-L152 HydrophobicContact CD2-CD2 4.26Å; L150-L152 HydrophobicContact CD2-CG 4.49Å; L150-L152 HydrophobicContact CG-CD2 4Å; L150-L152 HydrophobicContact CG-CG 4.21Å; L152-E187 HydrophobicContact CB-CB 3.7Å; L152-E187 HydrophobicContact CD1-CB 4.05Å; L152-L189 HydrophobicContact CD2-CB 3.8Å
153E92.8Very high90.5Very high46 Ų4665 Ų6522%0.21534%0.34CS..EExtended strand (participates in β ladder)trans-79.6129.3173.5-165.6176.9153.200110.4T155 E187 M188 R190 R223E153-T155 PolarHBondContact O-N 2.98Å; E153-E187 CarbonylContact O-C 3.57Å; E153-E187 WeakPolarHBondContact O-CA 3.27Å; E153-M188 WeakPolarHBondContact CB-O 3.39Å; E153-M188 PolarHBondContact N-O 3.18Å; E153-M188 PolarHBondContact O-N 3.06Å; E153-R190 VanDerWaalsContact CD-CZ 3.47Å; E153-R190 IonicContact OE1-CZ 2.73Å; E153-R190 IonicContact OE1-NH1 3.62Å; E153-R190 PolarHBondContact OE1-NH1 3.29Å; E153-R190 IonicContact OE1-NH2 3.79Å; E153-R190 PolarHBondContact OE1-NH2 3.45Å; E153-R190 IonicContact OE2-CZ 3.81Å; E153-R190 IonicContact OE2-NE 2.91Å; E153-R190 IonicContact OE2-NH1 2.76Å; E153-R190 PolarHBondContact OE2-NH1 3.39Å; E153-R223 VanDerWaalsContact CB-NH1 3.27Å; E153-R223 IonicContact OE2-CZ 3.27Å; E153-R223 IonicContact OE2-NH1 3.14Å; E153-R223 IonicContact OE2-NH2 3.03Å; E153-R223 PolarHBondContact OE2-NH2 3.35Å
154T93.6Very high89Confident68 Ų6864.7 Ų64.742%0.41735%0.345SS..EExtended strand (participates in β ladder)trans-68104.3166.8-47.20000109.3E157 E186T154-E157 HydrophobicContact CG2-CB 4.12Å; T154-E186 CarbonylContact C-O 3.44Å
155T92.1Very high87.5Confident18 Ų1866.8 Ų66.811%0.1136%0.36CS..EExtended strand (participates in β ladder)trans-84.3-33.1-179.252.10000112E153 E186 M188E153-T155 PolarHBondContact O-N 2.98Å; T155-E186 PolarHBondContact N-O 2.75Å; T155-E186 WeakPolarHBondContact OG1-CG 3.32Å; T155-E186 PolarHBondContact OG1-O 3.44Å; T155-E186 VanDerWaalsContact OG1-O 3.1Å; T155-E186 PolarHBondContact OG1-OE2 3.26Å; T155-M188 HydrophobicContact CG2-CB 3.67Å; T155-M188 HydrophobicContact CG2-CG 3.78Å; T155-M188 HydrophobicContact CG2-SD 4.1Å
156Y94.3Very high85.9Confident61 Ų6169.9 Ų69.924%0.23937%0.374CS..EExtended strand (participates in β ladder)trans-143.8138.3178.2175.6-99.3000110.1F83 N158 E184 M185 E186F83-Y156 HydrophobicContact CB-CD1 3.83Å; F83-Y156 HydrophobicContact CB-CD2 3.6Å; F83-Y156 HydrophobicContact CB-CE1 4.25Å; F83-Y156 HydrophobicContact CB-CE2 4.04Å; F83-Y156 HydrophobicContact CB-CG 3.47Å; F83-Y156 VanDerWaalsContact CB-CG 3.47Å; F83-Y156 AromaticContact CD1-CD1 3.83Å; F83-Y156 HydrophobicContact CD1-CD1 3.83Å; F83-Y156 AromaticContact CD1-CE1 3.56Å; F83-Y156 HydrophobicContact CD1-CE1 3.56Å; F83-Y156 HydrophobicContact CD1-CE2 4.38Å; F83-Y156 HydrophobicContact CD1-CG 4.33Å; F83-Y156 AromaticContact CD1-CZ 3.84Å; F83-Y156 AromaticContact CD2-CD1 3.54Å; F83-Y156 HydrophobicContact CD2-CD1 3.54Å; F83-Y156 HydrophobicContact CD2-CE1 4.12Å; F83-Y156 AromaticContact CD2-CG 3.93Å; F83-Y156 HydrophobicContact CD2-CG 3.93Å; F83-Y156 HydrophobicContact CE1-CD1 4.24Å; F83-Y156 AromaticContact CE1-CE1 3.82Å; F83-Y156 HydrophobicContact CE1-CE1 3.82Å; F83-Y156 AromaticContact CE2-CD1 3.98Å; F83-Y156 HydrophobicContact CE2-CD1 3.98Å; F83-Y156 HydrophobicContact CE2-CE1 4.35Å; F83-Y156 AromaticContact CG-CD1 3.45Å; F83-Y156 HydrophobicContact CG-CD1 3.45Å; F83-Y156 VanDerWaalsContact CG-CD1 3.45Å; F83-Y156 HydrophobicContact CG-CD2 4.15Å; F83-Y156 AromaticContact CG-CE1 3.72Å; F83-Y156 HydrophobicContact CG-CE1 3.72Å; F83-Y156 HydrophobicContact CG-CE2 4.37Å; F83-Y156 AromaticContact CG-CG 3.67Å; F83-Y156 HydrophobicContact CG-CG 3.67Å; F83-Y156 HydrophobicContact CZ-CD1 4.3Å; F83-Y156 HydrophobicContact CZ-CE1 4.21Å; Y156-N158 HydrophobicContact CE1-CB 3.62Å; Y156-N158 HydrophobicContact CE2-CB 4.28Å; Y156-N158 VanDerWaalsContact CZ-CB 3.44Å; Y156-N158 WeakPolarHBondContact OH-CB 3.47Å; Y156-N158 PolarHBondContact OH-ND2 2.89Å; Y156-E184 HydrophobicContact CE1-CG 4.34Å; Y156-M185 WeakPolarHBondContact O-CA 3.31Å; Y156-E186 PolarHBondContact N-O 3.44Å; Y156-E186 PolarHBondContact O-N 3.38Å
157E94.5Very high84.5Confident117 Ų11774 Ų7455%0.54739%0.388SS..EExtended strand (participates in β ladder)trans-141.7127.7171.9179.3170.8-167.600108.9T154 H183 M185T154-E157 HydrophobicContact CG2-CB 4.12Å; E157-H183 IonicContact OE1-ND1 3.88Å; E157-M185 HydrophobicContact CG-CG 4.14Å; E157-M185 HydrophobicContact CG-SD 4.39Å
158N94.3Very high83Confident58 Ų5876 Ų7631%0.3140%0.397SS..EExtended strand (participates in β ladder)trans-141141.8174.9-170.218.6000110.9Y156 H160 E184Y156-N158 HydrophobicContact CE1-CB 3.62Å; Y156-N158 HydrophobicContact CE2-CB 4.28Å; Y156-N158 VanDerWaalsContact CZ-CB 3.44Å; Y156-N158 WeakPolarHBondContact OH-CB 3.47Å; Y156-N158 PolarHBondContact OH-ND2 2.89Å; N158-H160 PolarHBondContact ND2-CE1 3.4Å; N158-H160 VanDerWaalsContact ND2-CE1 3.32Å; N158-E184 PolarHBondContact N-O 3.46Å; N158-E184 PolarHBondContact O-N 3.24Å
159F92.8Very high81.7Confident72 Ų7275.3 Ų75.332%0.31639%0.39SS..EExtended strand (participates in β ladder)trans-112.4118.1178.3-179.8-111.7000110.2E99 P161 K180 H183E99-F159 HydrophobicContact CB-CE2 4.41Å; F159-P161 HydrophobicContact CD1-CB 4.42Å; F159-P161 HydrophobicContact CE1-CB 3.99Å; F159-P161 WeakPolarHBondContact O-CD 3.34Å; F159-K180 HydrophobicContact CZ-CB 4.2Å; F159-H183 AromaticContact CD2-CD2 3.17Å; F159-H183 WeakPolarHBondContact CD2-CD2 3.36Å; F159-H183 AromaticContact CD2-CE1 3.58Å; F159-H183 AromaticContact CD2-CG 3.65Å; F159-H183 AromaticContact CD2-ND1 3.88Å; F159-H183 AromaticContact CD2-NE2 3.12Å; F159-H183 WeakPolarHBondContact CD2-NE2 3.35Å; F159-H183 AromaticContact CE2-CD2 3.42Å; F159-H183 VanDerWaalsContact CE2-CD2 3.42Å; F159-H183 WeakPolarHBondContact CE2-CD2 3.49Å; F159-H183 AromaticContact CE2-NE2 3.4Å; F159-H183 WeakPolarHBondContact CE2-NE2 2.99Å; F159-H183 AromaticContact CG-NE2 3.95Å
160H90.9Very high80.7Confident82 Ų8279 Ų7938%0.3841%0.409SS..EExtended strand (participates in β ladder)trans-95.999.9176.6-61.4-76.9000109.4N158 G181 I182 E184N158-H160 PolarHBondContact ND2-CE1 3.4Å; N158-H160 VanDerWaalsContact ND2-CE1 3.32Å; H160-G181 CarbonylContact O-C 3.58Å; H160-G181 WeakPolarHBondContact O-CA 3.44Å; H160-I182 PolarHBondContact N-O 3.37Å; H160-I182 PolarHBondContact O-N 2.99Å; H160-E184 IonicContact CD2-OE2 3.53Å; H160-E184 IonicContact CE1-OE2 2.71Å; H160-E184 IonicContact NE2-OE2 3.36Å; H160-E184 PolarHBondContact NE2-OE2 3.02Å
161P89.4Confident79.4Confident90 Ų9080.6 Ų80.658%0.58442%0.423SS*.EExtended strand (participates in β ladder)trans-68.4141.2-177.928.4-35.1000111.1F159 V163F159-P161 HydrophobicContact CD1-CB 4.42Å; F159-P161 HydrophobicContact CE1-CB 3.99Å; F159-P161 WeakPolarHBondContact O-CD 3.34Å; P161-V163 PolarHBondContact O-N 3.48Å
162T83.6Confident78.2Confident51 Ų5179.6 Ų79.631%0.31342%0.416SS..PPolyproline II helixtrans-72.1119.6174.7-50.10000109.9Q164 K180 G181T162-Q164 PolarHBondContact O-N 3.03Å; T162-K180 PolarHBondContact N-O 3.2Å; T162-G181 WeakPolarHBondContact OG1-CA 3.48Å; T162-G181 PolarHBondContact OG1-N 2.86Å
163V73.6Confident76.9Confident130 Ų13087.1 Ų87.179%0.78845%0.449SS*.PPolyproline II helixtrans-64.9124.1176.6-166.40000109.4P161 S165P161-V163 PolarHBondContact O-N 3.48Å; V163-S165 PolarHBondContact O-N 3.28Å
164Q61.3Low75.7Confident132 Ų13291.7 Ų91.762%0.61747%0.473SS*.  trans-80.3103.8-175.8-65.8-178.55.600110.2T162T162-Q164 PolarHBondContact O-N 3.03Å
165S63Low74.7Confident60 Ų6092.2 Ų92.242%0.4248%0.48SS..  trans-83.6149166.4-179.90000110.8V163 F167 N168 L169V163-S165 PolarHBondContact O-N 3.28Å; S165-F167 PolarHBondContact O-N 3.42Å; S165-F167 VanDerWaalsContact O-N 3.12Å; S165-N168 WeakPolarHBondContact O-CA 3.4Å; S165-N168 WeakPolarHBondContact O-CB 3.44Å; S165-N168 PolarHBondContact O-N 3.15Å; S165-L169 PolarHBondContact O-N 2.92Å
166M57.8Low74Confident155 Ų15592.3 Ų92.376%0.76448%0.484SS*.Hα-helixtrans-54.4-30.6178.6-67.4-77.3-75.400113
167F62.9Low73.5Confident169 Ų16993.3 Ų93.374%0.74149%0.491SS*.Hα-helixtrans-73.2-28.4174.6-79.8-87.2000113.5S165 L169 I170 S171S165-F167 PolarHBondContact O-N 3.42Å; S165-F167 VanDerWaalsContact O-N 3.12Å; F167-L169 VanDerWaalsContact C-N 3.34Å; F167-I170 PolarHBondContact O-N 2.98Å; F167-S171 PolarHBondContact O-N 3.21Å
168N60.5Low73Confident55 Ų5592.8 Ų92.829%0.29448%0.484SS..Hα-helixtrans-69.4-34.1177.7-69.4-12.4000111.1S165 I170 S171 H172S165-N168 WeakPolarHBondContact O-CA 3.4Å; S165-N168 WeakPolarHBondContact O-CB 3.44Å; S165-N168 PolarHBondContact O-N 3.15Å; N168-I170 VanDerWaalsContact C-N 3.3Å; N168-I170 PolarHBondContact O-N 3.49Å; N168-S171 PolarHBondContact O-N 2.91Å; N168-H172 PolarHBondContact O-CD2 2.95Å; N168-H172 PolarHBondContact O-N 3.5Å; N168-H172 PolarHBondContact O-NE2 3.15Å
169L60.9Low72.4Confident90 Ų9091.7 Ų91.747%0.47148%0.481SS..Hα-helixtrans-55.4-41.4176.1-93.7138.3000113S165 F167 F173S165-L169 PolarHBondContact O-N 2.92Å; F167-L169 VanDerWaalsContact C-N 3.34Å; L169-F173 WeakPolarHBondContact O-CD2 3.48Å
170I63.1Low72.1Confident114 Ų11491.4 Ų91.459%0.58548%0.48SS*.Hα-helixtrans-80.6-39.4-177.8-57.4172.5000111F167 N168 H172 F173 I174F167-I170 PolarHBondContact O-N 2.98Å; N168-I170 VanDerWaalsContact C-N 3.3Å; N168-I170 PolarHBondContact O-N 3.49Å; I170-H172 VanDerWaalsContact C-N 3.3Å; I170-H172 PolarHBondContact O-N 3.02Å; I170-F173 PolarHBondContact O-N 3.42Å; I170-I174 HydrophobicContact CG2-CD1 4.23Å
171S62.8Low72.1Confident62 Ų6287.5 Ų87.543%0.43446%0.462SS..Hα-helixtrans-57.4-39.8178.9-179.20000112.8F167 N168 F173 I174 S175F167-S171 PolarHBondContact O-N 3.21Å; N168-S171 PolarHBondContact O-N 2.91Å; S171-F173 PolarHBondContact O-N 2.96Å; S171-I174 PolarHBondContact O-N 3.4Å; S171-S175 WeakPolarHBondContact O-CB 3.38Å; S171-S175 PolarHBondContact O-N 3.49Å
172H64.1Low72.2Confident32 Ų3286.5 Ų86.515%0.14845%0.451CS..Hα-helixtrans-66.7-33.1-178-61.6-41.5000114N168 I170 I174 G176 E177 R178N168-H172 PolarHBondContact O-CD2 2.95Å; N168-H172 PolarHBondContact O-N 3.5Å; N168-H172 PolarHBondContact O-NE2 3.15Å; I170-H172 VanDerWaalsContact C-N 3.3Å; I170-H172 PolarHBondContact O-N 3.02Å; H172-I174 VanDerWaalsContact C-N 3.32Å; H172-G176 WeakPolarHBondContact O-CA 3.26Å; H172-G176 PolarHBondContact O-N 3.3Å; H172-E177 PolarHBondContact ND1-O 3.15Å; H172-R178 HydrophobicContact CB-CB 4.23Å; H172-R178 WeakPolarHBondContact ND1-CA 3.39Å
173F65.4Low72.7Confident167 Ų16786 Ų8673%0.73245%0.445SS*.Hα-helixtrans-70.6-30.2175.9-75.5-76.3000112.4L169 I170 S171L169-F173 WeakPolarHBondContact O-CD2 3.48Å; I170-F173 PolarHBondContact O-N 3.42Å; S171-F173 PolarHBondContact O-N 2.96Å
174I68.8Low73.8Confident142 Ų14282 Ų8273%0.72842%0.418SS*.Hα-helixtrans-81.8-44.7179-59.9171000110.4I170 S171 H172I170-I174 HydrophobicContact CG2-CD1 4.23Å; S171-I174 PolarHBondContact O-N 3.4Å; H172-I174 VanDerWaalsContact C-N 3.32Å
175S71.4Confident75.4Confident79 Ų7976.7 Ų76.755%0.55239%0.393SS*.Hα-helixtrans-80.1-22.2-176.4-166.10000113.7S171 E177S171-S175 WeakPolarHBondContact O-CB 3.38Å; S171-S175 PolarHBondContact O-N 3.49Å; S175-E177 PolarHBondContact O-N 3Å
176G79.2Confident76.9Confident20 Ų2073.8 Ų73.821%0.20637%0.373CS..SBendtrans69.79.9-173.600000114.2W103 H172W103-G176 PolarHBondContact N-O 2.95Å; H172-G176 WeakPolarHBondContact O-CA 3.26Å; H172-G176 PolarHBondContact O-N 3.3Å
177E83.3Confident78.7Confident82 Ų8268.2 Ų68.238%0.38335%0.345SS..EExtended strand (participates in β ladder)trans-124.7137.7177.5-58-163.616500110.1K100 M101 V102 H172 S175K100-E177 IonicContact NZ-OE1 3.93Å; K100-E177 PolarHBondContact NZ-OE1 2.9Å; K100-E177 IonicContact NZ-OE2 3.77Å; K100-E177 PolarHBondContact NZ-OE2 2.87Å; M101-E177 CarbonylContact O-C 3.57Å; M101-E177 WeakPolarHBondContact O-CA 3.47Å; V102-E177 HydrophobicContact CG2-CG 4.4Å; H172-E177 PolarHBondContact ND1-O 3.15Å; S175-E177 PolarHBondContact O-N 3Å
178R83Confident80.3Confident106 Ų10660.2 Ų60.240%0.431%0.31SS..EExtended strand (participates in β ladder)trans-131.4112.3178.1177-177.8-176.5-176.94110.8K100 M101 W110 H172 K180K100-R178 CarbonylContact C-O 3.55Å; K100-R178 WeakPolarHBondContact CA-O 3.32Å; M101-R178 HydrophobicContact CB-CB 4.25Å; M101-R178 PolarHBondContact N-O 3.42Å; M101-R178 PolarHBondContact O-N 3.13Å; W110-R178 HydrophobicContact CZ3-CB 4.19Å; H172-R178 HydrophobicContact CB-CB 4.23Å; H172-R178 WeakPolarHBondContact ND1-CA 3.39Å; R178-K180 PolarHBondContact O-N 3.45Å
179S82.6Confident81.9Confident36 Ų3657.7 Ų57.725%0.25230%0.296SS..EExtended strand (participates in β ladder)trans-67.9128173.455.90000110.4
180K86.4Confident83.5Confident65 Ų6556.7 Ų56.728%0.28329%0.286SS..EExtended strand (participates in β ladder)trans-89.7-42.5172.5-72.9173.3154.5177.80111.5E99 M101 C112 F159 T162 R178E99-K180 HydrophobicContact CB-CB 4.35Å; E99-K180 HydrophobicContact CB-CD 4.46Å; E99-K180 HydrophobicContact CG-CD 3.83Å; E99-K180 WeakPolarHBondContact O-CB 3.42Å; E99-K180 PolarHBondContact O-N 3.05Å; E99-K180 WeakPolarHBondContact OE1-CD 3.33Å; E99-K180 IonicContact OE1-NZ 3.24Å; E99-K180 PolarHBondContact OE1-NZ 3.45Å; E99-K180 WeakPolarHBondContact OE2-CD 3.39Å; M101-K180 HydrophobicContact CG-CD 4.08Å; M101-K180 HydrophobicContact CG-CG 4.07Å; M101-K180 HydrophobicContact SD-CD 4.35Å; M101-K180 WeakPolarHBondContact SD-CE 3.42Å; C112-K180 PolarHBondContact SG-NZ 2.93Å; F159-K180 HydrophobicContact CZ-CB 4.2Å; T162-K180 PolarHBondContact N-O 3.2Å; R178-K180 PolarHBondContact O-N 3.45Å
181G90.3Very high85Confident1 Ų153.9 Ų53.91%0.0128%0.275CS..EExtended strand (participates in β ladder)trans166.5-175.5-174.700000112.3E99 H160 T162E99-G181 PolarHBondContact N-O 2.87Å; E99-G181 PolarHBondContact O-N 2.84Å; H160-G181 CarbonylContact O-C 3.58Å; H160-G181 WeakPolarHBondContact O-CA 3.44Å; T162-G181 WeakPolarHBondContact OG1-CA 3.48Å; T162-G181 PolarHBondContact OG1-N 2.86Å
182I92.9Very high86.4Confident69 Ų6953 Ų5335%0.35428%0.276SS..EExtended strand (participates in β ladder)trans-116.9121178.5-57.7173.2000107.7K97 I117 H160K97-I182 CarbonylContact O-C 3.51Å; K97-I182 WeakPolarHBondContact O-CA 3.45Å; I117-I182 HydrophobicContact CD1-CD1 4.3Å; I117-I182 HydrophobicContact CD1-CG1 4.2Å; I117-I182 HydrophobicContact CD1-CG2 4.08Å; H160-I182 PolarHBondContact N-O 3.37Å; H160-I182 PolarHBondContact O-N 2.99Å
183H94.1Very high87.8Confident39 Ų3952.7 Ų52.718%0.18128%0.275CS..EExtended strand (participates in β ladder)trans-83.2122.5166.7-81-96000109.3L96 K97 E99 E157 F159 M185L96-H183 CarbonylContact C-O 3.59Å; L96-H183 WeakPolarHBondContact CA-O 3.46Å; K97-H183 HydrophobicContact CB-CB 4.24Å; K97-H183 PolarHBondContact N-O 2.94Å; K97-H183 PolarHBondContact O-N 3.26Å; E99-H183 IonicContact OE2-NE2 2.71Å; E157-H183 IonicContact OE1-ND1 3.88Å; F159-H183 AromaticContact CD2-CD2 3.17Å; F159-H183 WeakPolarHBondContact CD2-CD2 3.36Å; F159-H183 AromaticContact CD2-CE1 3.58Å; F159-H183 AromaticContact CD2-CG 3.65Å; F159-H183 AromaticContact CD2-ND1 3.88Å; F159-H183 AromaticContact CD2-NE2 3.12Å; F159-H183 WeakPolarHBondContact CD2-NE2 3.35Å; F159-H183 AromaticContact CE2-CD2 3.42Å; F159-H183 VanDerWaalsContact CE2-CD2 3.42Å; F159-H183 WeakPolarHBondContact CE2-CD2 3.49Å; F159-H183 AromaticContact CE2-NE2 3.4Å; F159-H183 WeakPolarHBondContact CE2-NE2 2.99Å; F159-H183 AromaticContact CG-NE2 3.95Å; H183-M185 HydrophobicContact CB-CG 4.47Å
184E95Very high89.1Confident47 Ų4747.2 Ų47.222%0.2226%0.257CS..EExtended strand (participates in β ladder)trans-107.9118.5171.7178.1168.2-131.200108.4F83 L96 Y156 N158 H160F83-E184 HydrophobicContact CE1-CG 4.47Å; F83-E184 HydrophobicContact CZ-CG 3.94Å; F83-E184 WeakPolarHBondContact CZ-OE1 3.31Å; L96-E184 HydrophobicContact CD2-CB 3.68Å; L96-E184 HydrophobicContact CD2-CG 3.63Å; Y156-E184 HydrophobicContact CE1-CG 4.34Å; N158-E184 PolarHBondContact N-O 3.46Å; N158-E184 PolarHBondContact O-N 3.24Å; H160-E184 IonicContact CD2-OE2 3.53Å; H160-E184 IonicContact CE1-OE2 2.71Å; H160-E184 IonicContact NE2-OE2 3.36Å; H160-E184 PolarHBondContact NE2-OE2 3.02Å
185M95.1Very high90.4Very high20 Ų2040.5 Ų40.510%0.09922%0.223CC..EExtended strand (participates in β ladder)trans-131.8137.3-176-45.7-170-43.800110.4T95 K97 Y156 E157 H183T95-M185 PolarHBondContact N-O 2.95Å; T95-M185 PolarHBondContact O-N 3.3Å; K97-M185 HydrophobicContact CD-CE 4.24Å; Y156-M185 WeakPolarHBondContact O-CA 3.31Å; E157-M185 HydrophobicContact CG-CG 4.14Å; E157-M185 HydrophobicContact CG-SD 4.39Å; H183-M185 HydrophobicContact CB-CG 4.47Å
186E95.6Very high91.5Very high0 Ų036.9 Ų36.90%020%0.198CC..EExtended strand (participates in β ladder)trans-114124.1169.4-172.5-172.7-130.200108.4S81 Q82 F83 E92 R93 L94 T154 T155 Y156 M188S81-E186 VanDerWaalsContact CA-OE1 3.26Å; S81-E186 WeakPolarHBondContact CA-OE1 3.46Å; S81-E186 WeakPolarHBondContact CB-OE2 3.34Å; S81-E186 VanDerWaalsContact OG-CD 3.25Å; S81-E186 PolarHBondContact OG-OE1 3.03Å; S81-E186 PolarHBondContact OG-OE2 2.76Å; Q82-E186 PolarHBondContact N-OE1 2.84Å; F83-E186 HydrophobicContact CD2-CB 3.85Å; F83-E186 HydrophobicContact CD2-CG 4.32Å; F83-E186 HydrophobicContact CE2-CB 4.06Å; E92-E186 HydrophobicContact CG-CG 4.37Å; R93-E186 WeakPolarHBondContact O-CA 3.5Å; L94-E186 HydrophobicContact CD2-CB 4.03Å; L94-E186 HydrophobicContact CD2-CG 3.75Å; T154-E186 CarbonylContact C-O 3.44Å; T155-E186 PolarHBondContact N-O 2.75Å; T155-E186 WeakPolarHBondContact OG1-CG 3.32Å; T155-E186 PolarHBondContact OG1-O 3.44Å; T155-E186 VanDerWaalsContact OG1-O 3.1Å; T155-E186 PolarHBondContact OG1-OE2 3.26Å; Y156-E186 PolarHBondContact N-O 3.44Å; Y156-E186 PolarHBondContact O-N 3.38Å; E186-M188 HydrophobicContact CG-CG 4.07Å; E186-M188 HydrophobicContact CG-SD 4.48Å
187E95.8Very high92.2Very high38 Ų3836 Ų3618%0.17819%0.188CC..EExtended strand (participates in β ladder)trans-114131.5173.2-52.9178.5124.400109.1E92 R93 L152 E153E92-E187 CarbonylContact C-O 3.52Å; R93-E187 HydrophobicContact CB-CB 4.36Å; R93-E187 VanDerWaalsContact CD-OE2 3.29Å; R93-E187 WeakPolarHBondContact CD-OE2 3.4Å; R93-E187 IonicContact CZ-OE2 3.74Å; R93-E187 PolarHBondContact N-O 3.33Å; R93-E187 IonicContact NE-OE2 2.62Å; R93-E187 IonicContact NH1-OE2 3.67Å; R93-E187 PolarHBondContact NH1-OE2 3.38Å; R93-E187 PolarHBondContact O-N 3.44Å; L152-E187 HydrophobicContact CB-CB 3.7Å; L152-E187 HydrophobicContact CD1-CB 4.05Å; E153-E187 CarbonylContact O-C 3.57Å; E153-E187 WeakPolarHBondContact O-CA 3.27Å
188M95.3Very high92.8Very high0 Ų032 Ų320%017%0.17CC..EExtended strand (participates in β ladder)trans-132.9149.2179.2-55.5-175.380.700112.7L79 I91 E92 E153 T155 E186L79-M188 HydrophobicContact CB-CE 4.24Å; I91-M188 CarbonylContact O-C 3.58Å; I91-M188 WeakPolarHBondContact O-CA 3.49Å; I91-M188 WeakPolarHBondContact O-CB 3.45Å; E92-M188 HydrophobicContact CB-CE 4.04Å; E92-M188 HydrophobicContact CB-CG 4.36Å; E92-M188 HydrophobicContact CG-CE 4.17Å; E92-M188 HydrophobicContact CG-CG 4.22Å; E153-M188 WeakPolarHBondContact CB-O 3.39Å; E153-M188 PolarHBondContact N-O 3.18Å; E153-M188 PolarHBondContact O-N 3.06Å; T155-M188 HydrophobicContact CG2-CB 3.67Å; T155-M188 HydrophobicContact CG2-CG 3.78Å; T155-M188 HydrophobicContact CG2-SD 4.1Å; E186-M188 HydrophobicContact CG-CG 4.07Å; E186-M188 HydrophobicContact CG-SD 4.48Å
189L95.7Very high93.3Very high2 Ų227 Ų271%0.0115%0.15CC..EExtended strand (participates in β ladder)trans-94.9108.7161.2-176.460.6000108.3V72 G89 V90 I91 F126 L152 D193 V195 R223V72-L189 HydrophobicContact CG2-CD1 4.26Å; V72-L189 HydrophobicContact CG2-CD2 4Å; V72-L189 HydrophobicContact CG2-CG 4.08Å; G89-L189 CarbonylContact C-O 3.56Å; G89-L189 WeakPolarHBondContact CA-O 3.47Å; V90-L189 HydrophobicContact CG2-CB 4Å; V90-L189 HydrophobicContact CG2-CD2 3.76Å; V90-L189 HydrophobicContact CG2-CG 3.87Å; V90-L189 PolarHBondContact N-O 2.82Å; I91-L189 HydrophobicContact CB-CB 4.01Å; I91-L189 HydrophobicContact CD1-CB 4.49Å; I91-L189 HydrophobicContact CD1-CD2 4.07Å; I91-L189 HydrophobicContact CG1-CB 4.46Å; I91-L189 PolarHBondContact O-N 3.32Å; F126-L189 HydrophobicContact CE2-CD2 4.25Å; F126-L189 HydrophobicContact CZ-CD2 4.17Å; L152-L189 HydrophobicContact CD2-CB 3.8Å; L189-D193 HydrophobicContact CD1-CB 4.21Å; L189-V195 HydrophobicContact CD1-CG2 3.65Å; L189-V195 HydrophobicContact CD2-CG2 4.29Å; L189-V195 HydrophobicContact CG-CG2 4.49Å; L189-R223 HydrophobicContact CD1-CG 4.19Å
190R94.6Very high93.8Very high69 Ų6926.2 Ų26.226%0.2614%0.143SC..EExtended strand (participates in β ladder)trans-77.5153.5-173-66-179.1175.9156.73112.3V72 C87 K88 E153 D193V72-R190 WeakPolarHBondContact CB-O 3.34Å; C87-R190 PolarHBondContact SG-NE 3.2Å; K88-R190 WeakPolarHBondContact O-CA 3.4Å; E153-R190 VanDerWaalsContact CD-CZ 3.47Å; E153-R190 IonicContact OE1-CZ 2.73Å; E153-R190 IonicContact OE1-NH1 3.62Å; E153-R190 PolarHBondContact OE1-NH1 3.29Å; E153-R190 IonicContact OE1-NH2 3.79Å; E153-R190 PolarHBondContact OE1-NH2 3.45Å; E153-R190 IonicContact OE2-CZ 3.81Å; E153-R190 IonicContact OE2-NE 2.91Å; E153-R190 IonicContact OE2-NH1 2.76Å; E153-R190 PolarHBondContact OE2-NH1 3.39Å; R190-D193 PolarHBondContact O-N 3.44Å
191V93.7Very high94.2Very high56 Ų5623.1 Ų23.134%0.33913%0.129SC..THydrogen-bonded Turntrans-69.5132168.4-178.20000108.2T78 K88 V90T78-V191 HydrophobicContact CG2-CG2 3.91Å; K88-V191 PolarHBondContact O-N 2.91Å; V90-V191 HydrophobicContact CG1-CG2 4.02Å
192G92Very high94.3Very high44 Ų4424.3 Ų24.345%0.45414%0.137SC..THydrogen-bonded Turntrans90.4-3.6-175.400000114.7L71 V72L71-G192 WeakPolarHBondContact CD2-O 3.4Å; V72-G192 PolarHBondContact O-N 3.33Å
193D93.7Very high94.3Very high25 Ų2521.9 Ų21.913%0.13412%0.124CC..  trans-70140.1173.5-8710.6000111.4L71 V72 L189 R190 R223L71-D193 WeakPolarHBondContact CA-O 3.5Å; V72-D193 WeakPolarHBondContact CG2-O 3.39Å; V72-D193 PolarHBondContact N-O 2.89Å; L189-D193 HydrophobicContact CD1-CB 4.21Å; R190-D193 PolarHBondContact O-N 3.44Å; D193-R223 IonicContact OD1-NH2 3.2Å; D193-R223 IonicContact OD2-CZ 3.03Å; D193-R223 VanDerWaalsContact OD2-CZ 3.24Å; D193-R223 IonicContact OD2-NE 2.7Å; D193-R223 PolarHBondContact OD2-NE 3.21Å; D193-R223 IonicContact OD2-NH2 3.58Å; D193-R223 PolarHBondContact OD2-NH2 3.47Å
194S93.4Very high94Very high51 Ų5122.9 Ų22.936%0.35713%0.131SC..EExtended strand (participates in β ladder)trans-74.9123.7170-57.10000110.2
195V94.6Very high93.5Very high2 Ų227.2 Ų27.21%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-129.8135.9-179.6175.30000110.4E69 G70 V72 L128 L189 L221 T222 R223E69-V195 WeakPolarHBondContact CA-O 3.47Å; G70-V195 PolarHBondContact N-O 3.49Å; G70-V195 PolarHBondContact O-N 2.85Å; V72-V195 HydrophobicContact CG2-CB 4.15Å; V72-V195 HydrophobicContact CG2-CG2 3.46Å; V72-V195 VanDerWaalsContact CG2-CG2 3.46Å; L128-V195 HydrophobicContact CD2-CB 4.09Å; L128-V195 HydrophobicContact CD2-CG1 4.44Å; L189-V195 HydrophobicContact CD1-CG2 3.65Å; L189-V195 HydrophobicContact CD2-CG2 4.29Å; L189-V195 HydrophobicContact CG-CG2 4.49Å; V195-L221 HydrophobicContact CG1-CD1 3.39Å; V195-L221 HydrophobicContact CG1-CG 3.78Å; V195-T222 CarbonylContact C-O 3.56Å; V195-T222 WeakPolarHBondContact CA-O 3.38Å; V195-R223 HydrophobicContact CG2-CG 4.49Å
196T94.9Very high93Very high3 Ų332.1 Ų32.12%0.01818%0.182CC..EExtended strand (participates in β ladder)trans-97.1112.4168.8-52.50000109.1V67 I68 E69 V198 T222 Q224V67-T196 HydrophobicContact CG1-CG2 3.74Å; I68-T196 CarbonylContact O-C 3.56Å; I68-T196 WeakPolarHBondContact O-CA 3.23Å; E69-T196 HydrophobicContact CG-CG2 3.96Å; T196-V198 HydrophobicContact CG2-CG2 4.35Å; T196-T222 PolarHBondContact N-O 2.96Å; T196-T222 PolarHBondContact O-N 2.84Å; T196-Q224 VanDerWaalsContact CB-O 3.3Å; T196-Q224 WeakPolarHBondContact CB-O 3.44Å; T196-Q224 PolarHBondContact OG1-O 3.3Å
197G94.6Very high92.8Very high0 Ų036.3 Ų36.30%020%0.204CC..EExtended strand (participates in β ladder)trans-99.7132.1171.700000111I68 F220I68-G197 PolarHBondContact N-O 2.91Å; I68-G197 PolarHBondContact O-N 3.42Å; G197-F220 WeakPolarHBondContact CA-O 3.27Å
198V95.1Very high92.6Very high0 Ų034.7 Ų34.70%020%0.196CC..EExtended strand (participates in β ladder)trans-125123.5174.5-1710000109.4L39 Y65 A66 V67 T196 Y219 F220 L229L39-V198 HydrophobicContact CD1-CB 4.48Å; L39-V198 HydrophobicContact CD1-CG1 3.87Å; L39-V198 HydrophobicContact CD1-CG2 4.03Å; Y65-V198 HydrophobicContact CD2-CG1 4.45Å; Y65-V198 HydrophobicContact CE1-CG1 3.98Å; Y65-V198 HydrophobicContact CE2-CG1 3.74Å; Y65-V198 VanDerWaalsContact CZ-CG1 3.47Å; A66-V198 WeakPolarHBondContact O-CA 3.44Å; V67-V198 HydrophobicContact CB-CG2 4.47Å; V67-V198 HydrophobicContact CG1-CG2 4.22Å; V67-V198 HydrophobicContact CG2-CG1 4.03Å; V67-V198 HydrophobicContact CG2-CG2 3.99Å; T196-V198 HydrophobicContact CG2-CG2 4.35Å; V198-Y219 WeakPolarHBondContact O-CD2 3.5Å; V198-F220 HydrophobicContact CB-CB 4.04Å; V198-F220 HydrophobicContact CB-CD2 4.06Å; V198-F220 HydrophobicContact CG1-CD2 4.4Å; V198-F220 HydrophobicContact CG2-CB 4.17Å; V198-F220 PolarHBondContact N-O 2.96Å; V198-F220 PolarHBondContact O-N 3.45Å; V198-L229 HydrophobicContact CG2-CD2 3.99Å
199G94.2Very high92.6Very high0 Ų037.1 Ų37.10%021%0.207CC..EExtended strand (participates in β ladder)trans176.1-163.2-176.700000113.2Y65 A66Y65-G199 WeakPolarHBondContact CA-O 3.25Å; A66-G199 PolarHBondContact N-O 2.94Å; A66-G199 PolarHBondContact O-N 3.33Å; A66-G199 VanDerWaalsContact O-N 3.1Å
200E93.6Very high92.5Very high19 Ų1937 Ų379%0.08921%0.206CC..EExtended strand (participates in β ladder)trans-82.3129.7175.4-178.4-178.4-160.200109.5P64 V202 L210 Q211 P213P64-E200 WeakPolarHBondContact O-CA 3.48Å; E200-V202 HydrophobicContact CG-CG2 3.85Å; E200-L210 WeakPolarHBondContact O-CA 3.3Å; E200-Q211 HydrophobicContact CB-CG 3.98Å; E200-Q211 VanDerWaalsContact CD-NE2 3.32Å; E200-Q211 HydrophobicContact CG-CG 4.29Å; E200-Q211 PolarHBondContact N-O 3.45Å; E200-Q211 PolarHBondContact O-N 3.42Å; E200-Q211 PolarHBondContact OE2-NE2 3.35Å; E200-P213 HydrophobicContact CB-CB 4.22Å
201L93.4Very high92.5Very high0 Ų035.6 Ų35.60%020%0.203CC..EExtended strand (participates in β ladder)trans-103.9120.8177.7-167.663.1000109.4I45 L51 L55 C62 I63 A66 I68 V139 I208 K209I45-L201 HydrophobicContact CD1-CD2 4.41Å; L51-L201 HydrophobicContact CD1-CD2 4.14Å; L55-L201 HydrophobicContact CD1-CD2 3.89Å; L55-L201 HydrophobicContact CD1-CG 4.05Å; L55-L201 HydrophobicContact CD2-CD2 3.97Å; L55-L201 HydrophobicContact CD2-CG 4.09Å; L55-L201 HydrophobicContact CG-CD2 4.27Å; C62-L201 CarbonylContact C-O 3.55Å; C62-L201 VanDerWaalsContact CA-O 3.25Å; C62-L201 WeakPolarHBondContact CA-O 3.37Å; I63-L201 HydrophobicContact CB-CB 4.32Å; I63-L201 PolarHBondContact N-O 3.22Å; I63-L201 PolarHBondContact O-N 3.46Å; A66-L201 HydrophobicContact CB-CB 4.23Å; I68-L201 HydrophobicContact CD1-CD1 3.34Å; I68-L201 HydrophobicContact CD1-CD2 3.75Å; I68-L201 HydrophobicContact CD1-CG 4.1Å; V139-L201 HydrophobicContact CG1-CD1 3.9Å; L201-I208 HydrophobicContact CD1-CG2 3.35Å; L201-I208 HydrophobicContact CD2-CG2 4.36Å; L201-I208 HydrophobicContact CG-CG2 3.89Å; L201-K209 WeakPolarHBondContact CA-O 3.41Å
202V93.4Very high92.5Very high27 Ų2733.7 Ų33.716%0.16419%0.192CC..EExtended strand (participates in β ladder)trans-125.7134.5-177.5-176.60000110.1C62 E200 K209 Q211C62-V202 HydrophobicContact CB-CG2 4.07Å; E200-V202 HydrophobicContact CG-CG2 3.85Å; V202-K209 PolarHBondContact N-O 3.33Å; V202-K209 PolarHBondContact O-N 3.43Å; V202-Q211 HydrophobicContact CG2-CG 4.31Å
203L92.3Very high92.4Very high17 Ų1732.5 Ų32.59%0.08918%0.176CC..EExtended strand (participates in β ladder)trans-95.5109.2169-17967.6000109.5L55 R61 I208L55-L203 HydrophobicContact CB-CB 3.97Å; L55-L203 HydrophobicContact CB-CD2 4.09Å; L55-L203 HydrophobicContact CD1-CB 4.17Å; R61-L203 HydrophobicContact CB-CB 4.34Å; R61-L203 PolarHBondContact O-N 2.99Å; L203-I208 HydrophobicContact CD1-CG1 3.81Å
204D89.3Confident91.7Very high61 Ų6139.9 Ų39.933%0.32621%0.207SC..EExtended strand (participates in β ladder)trans-125.6117.8-179.1179.126.5000110.3D206 L207 K209D204-D206 VanDerWaalsContact C-N 3.34Å; D204-D206 PolarHBondContact O-N 2.87Å; D204-L207 PolarHBondContact N-O 3.01Å; D204-L207 WeakPolarHBondContact O-CB 3.32Å; D204-L207 PolarHBondContact O-N 3.48Å; D204-K209 HydrophobicContact CB-CD 4.26Å; D204-K209 IonicContact OD2-NZ 2.63Å; D204-K209 PolarHBondContact OD2-NZ 2.85Å
205N84Confident90.8Very high138 Ų13843.3 Ų43.374%0.73822%0.217SC*.THydrogen-bonded Turntrans47.652.4-179.1-59.2-46.3000113L207N205-L207 PolarHBondContact O-N 3.22Å
206D84.6Confident90Very high123 Ų12349.3 Ų49.366%0.65825%0.249SC*.THydrogen-bonded Turntrans61.83.5-176.2-65.5-34.3000116.7D204D204-D206 VanDerWaalsContact C-N 3.34Å; D204-D206 PolarHBondContact O-N 2.87Å
207L89.8Confident89.6Confident88 Ų8851.3 Ų51.346%0.46126%0.258SS..EExtended strand (participates in β ladder)trans-100.2123.5173.8-64.2170.8000110D204 N205D204-L207 PolarHBondContact N-O 3.01Å; D204-L207 WeakPolarHBondContact O-CB 3.32Å; D204-L207 PolarHBondContact O-N 3.48Å; N205-L207 PolarHBondContact O-N 3.22Å
208I93.2Very high89.4Confident3 Ų352.8 Ų52.82%0.01527%0.268CS..EExtended strand (participates in β ladder)trans-82.2125.7174.2-55.1165.5000107.8L51 K52 L55 T137 V139 R140 L201 L203L51-I208 HydrophobicContact CB-CD1 4.44Å; L51-I208 HydrophobicContact CD2-CD1 3.76Å; L51-I208 HydrophobicContact CG-CD1 3.84Å; K52-I208 HydrophobicContact CG-CD1 3.91Å; K52-I208 HydrophobicContact CG-CG1 4.49Å; L55-I208 HydrophobicContact CD1-CB 4.47Å; L55-I208 HydrophobicContact CD1-CD1 4.26Å; L55-I208 HydrophobicContact CD1-CG1 3.96Å; L55-I208 HydrophobicContact CD1-CG2 3.75Å; T137-I208 HydrophobicContact CG2-CD1 3.68Å; V139-I208 HydrophobicContact CB-CG2 4.42Å; V139-I208 HydrophobicContact CG1-CG2 4.09Å; V139-I208 HydrophobicContact CG2-CB 4.35Å; V139-I208 HydrophobicContact CG2-CG2 3.95Å; R140-I208 PolarHBondContact N-O 3.12Å; L201-I208 HydrophobicContact CD1-CG2 3.35Å; L201-I208 HydrophobicContact CD2-CG2 4.36Å; L201-I208 HydrophobicContact CG-CG2 3.89Å; L203-I208 HydrophobicContact CD1-CG1 3.81Å
209K93.9Very high89.3Confident51 Ų5153.1 Ų53.122%0.22227%0.269CS..EExtended strand (participates in β ladder)trans-119.3129.1-178.8-64.2175.9-176.1175.20109.9R140 V142 L201 V202 D204R140-K209 CarbonylContact O-C 3.55Å; R140-K209 WeakPolarHBondContact O-CA 3.15Å; V142-K209 HydrophobicContact CG2-CB 4.08Å; V142-K209 HydrophobicContact CG2-CD 4.39Å; V142-K209 HydrophobicContact CG2-CG 4.3Å; L201-K209 WeakPolarHBondContact CA-O 3.41Å; V202-K209 PolarHBondContact N-O 3.33Å; V202-K209 PolarHBondContact O-N 3.43Å; D204-K209 HydrophobicContact CB-CD 4.26Å; D204-K209 IonicContact OD2-NZ 2.63Å; D204-K209 PolarHBondContact OD2-NZ 2.85Å
210L94.8Very high89.3Confident0 Ų053.2 Ų53.20%027%0.27CS..EExtended strand (participates in β ladder)trans-96.2114.6166.5-179.269.9000108V139 R140 V142 E200 Y219V139-L210 HydrophobicContact CG1-CB 3.79Å; R140-L210 PolarHBondContact O-N 3.3Å; V142-L210 PolarHBondContact N-O 3.03Å; E200-L210 WeakPolarHBondContact O-CA 3.3Å; L210-Y219 HydrophobicContact CD2-CE2 4.31Å; L210-Y219 HydrophobicContact CG-CE2 4.11Å
211Q94.4Very high89.3Confident40 Ų4052.4 Ų52.419%0.18727%0.266CS..EExtended strand (participates in β ladder)trans-127.3162.3-174.171.1-177.416.800112.3V142 E200 V202V142-Q211 HydrophobicContact CB-CB 4.13Å; V142-Q211 HydrophobicContact CG1-CB 4.5Å; E200-Q211 HydrophobicContact CB-CG 3.98Å; E200-Q211 VanDerWaalsContact CD-NE2 3.32Å; E200-Q211 HydrophobicContact CG-CG 4.29Å; E200-Q211 PolarHBondContact N-O 3.45Å; E200-Q211 PolarHBondContact O-N 3.42Å; E200-Q211 PolarHBondContact OE2-NE2 3.35Å; V202-Q211 HydrophobicContact CG2-CG 4.31Å
212P93.4Very high89.4Confident16 Ų1652.4 Ų52.410%0.10427%0.266CS..  trans-61.5130.6174-20.934.1000109.4R143 D146 Y219R143-P212 HydrophobicContact CB-CG 4.15Å; D146-P212 HydrophobicContact CB-CG 4.21Å; P212-Y219 HydrophobicContact CB-CD1 4.43Å; P212-Y219 HydrophobicContact CB-CG 4.3Å; P212-Y219 HydrophobicContact CG-CD1 4.11Å; P212-Y219 HydrophobicContact CG-CE1 4.36Å; P212-Y219 HydrophobicContact CG-CG 4.41Å
213P90.4Very high89.4Confident18 Ų1854.7 Ų54.712%0.11727%0.272CS..  trans-65.9143.1-176.827.2-32.7000111.1E200 Q215 F217E200-P213 HydrophobicContact CB-CB 4.22Å; P213-Q215 VanDerWaalsContact C-N 3.31Å; P213-F217 HydrophobicContact CB-CB 3.94Å; P213-F217 HydrophobicContact CB-CD2 4.15Å; P213-F217 HydrophobicContact CG-CB 3.57Å; P213-F217 WeakPolarHBondContact CG-O 3.32Å
214K79.4Confident89.4Confident181 Ų18157 Ų5779%0.78728%0.282SS*.SBendtrans-74.3-21.2177.4-65177.2-176.1171.40113.8
215Q73.4Confident89.5Confident122 Ų12258.7 Ų58.757%0.5729%0.291SS*.SBendtrans-86.8171.4176.7-62.8-177.88.600110P213 F217P213-Q215 VanDerWaalsContact C-N 3.31Å; Q215-F217 HydrophobicContact CB-CD2 3.63Å; Q215-F217 HydrophobicContact CB-CE2 3.65Å; Q215-F217 HydrophobicContact CB-CG 4.37Å; Q215-F217 HydrophobicContact CB-CZ 4.39Å; Q215-F217 HydrophobicContact CG-CE2 4.25Å; Q215-F217 PolarHBondContact O-N 2.86Å; Q215-F217 VanDerWaalsContact OE1-CZ 3.31Å
216D78.3Confident89.9Confident129 Ų12953 Ų5369%0.6926%0.259SS*.SBendtrans-69.845.4178.9-169.234.9000112.9K34K34-D216 IonicContact NZ-OD2 3.05Å; K34-D216 PolarHBondContact NZ-OD2 3.48Å
217F86.8Confident90.3Very high44 Ų4452.5 Ų52.519%0.19325%0.253CS..PPolyproline II helixtrans-102.6151175.7-62.1-46.9000109.7H38 Y65 P213 Q215H38-F217 HydrophobicContact CB-CD1 3.98Å; H38-F217 HydrophobicContact CB-CE1 4.03Å; H38-F217 AromaticContact CD2-CD1 3.65Å; H38-F217 AromaticContact CD2-CE1 3.56Å; H38-F217 AromaticContact CE1-CE1 3.71Å; H38-F217 AromaticContact CG-CD1 3.73Å; H38-F217 AromaticContact CG-CE1 3.47Å; H38-F217 VanDerWaalsContact CG-CE1 3.47Å; H38-F217 AromaticContact ND1-CE1 3.57Å; H38-F217 AromaticContact NE2-CE1 3.73Å; Y65-F217 HydrophobicContact CD2-CB 3.83Å; Y65-F217 HydrophobicContact CD2-CD2 4.05Å; Y65-F217 AromaticContact CD2-CG 3.96Å; Y65-F217 HydrophobicContact CD2-CG 3.96Å; Y65-F217 HydrophobicContact CE2-CB 3.69Å; Y65-F217 HydrophobicContact CE2-CG 4.22Å; Y65-F217 HydrophobicContact CG-CD2 4.31Å; Y65-F217 HydrophobicContact CG-CG 4.35Å; P213-F217 HydrophobicContact CB-CB 3.94Å; P213-F217 HydrophobicContact CB-CD2 4.15Å; P213-F217 HydrophobicContact CG-CB 3.57Å; P213-F217 WeakPolarHBondContact CG-O 3.32Å; Q215-F217 HydrophobicContact CB-CD2 3.63Å; Q215-F217 HydrophobicContact CB-CE2 3.65Å; Q215-F217 HydrophobicContact CB-CG 4.37Å; Q215-F217 HydrophobicContact CB-CZ 4.39Å; Q215-F217 HydrophobicContact CG-CE2 4.25Å; Q215-F217 PolarHBondContact O-N 2.86Å; Q215-F217 VanDerWaalsContact OE1-CZ 3.31Å
218C89.1Confident90.4Very high32 Ų3250.5 Ų50.522%0.21625%0.246CC..PPolyproline II helixtrans-87.7137.5179.1-61.10000110.3T35 Y65 V148 F220T35-C218 HydrophobicContact CG2-CB 4.26Å; Y65-C218 WeakPolarHBondContact CE2-O 3.46Å; Y65-C218 PolarHBondContact OH-O 2.86Å; V148-C218 HydrophobicContact CG2-CB 4.09Å; C218-F220 HydrophobicContact CB-CD2 4.12Å; C218-F220 HydrophobicContact CB-CE1 4.24Å; C218-F220 HydrophobicContact CB-CE2 3.32Å; C218-F220 HydrophobicContact CB-CZ 3.39Å
219Y93.8Very high90.3Very high7 Ų750.3 Ų50.33%0.02725%0.245CC..PPolyproline II helixtrans-90127.8170.9-174.7-129.2000109.4V141 R143 A147 V148 V198 L210 P212V141-Y219 VanDerWaalsContact CG1-OH 3.22Å; V141-Y219 WeakPolarHBondContact CG1-OH 3.25Å; R143-Y219 WeakPolarHBondContact O-CE1 3.46Å; A147-Y219 CarbonylContact C-O 3.57Å; A147-Y219 WeakPolarHBondContact CA-O 3.28Å; A147-Y219 HydrophobicContact CB-CD1 3.71Å; A147-Y219 HydrophobicContact CB-CE1 3.96Å; A147-Y219 HydrophobicContact CB-CG 4.5Å; V148-Y219 PolarHBondContact N-O 3.47Å; V198-Y219 WeakPolarHBondContact O-CD2 3.5Å; L210-Y219 HydrophobicContact CD2-CE2 4.31Å; L210-Y219 HydrophobicContact CG-CE2 4.11Å; P212-Y219 HydrophobicContact CB-CD1 4.43Å; P212-Y219 HydrophobicContact CB-CG 4.3Å; P212-Y219 HydrophobicContact CG-CD1 4.11Å; P212-Y219 HydrophobicContact CG-CE1 4.36Å; P212-Y219 HydrophobicContact CG-CG 4.41Å
220F94.2Very high90.2Very high2 Ų248.8 Ų48.81%0.00924%0.24CC..EExtended strand (participates in β ladder)trans-125140.7-179.1-61-81.5000111.3T35 V148 E149 G197 V198 C218 L229T35-F220 HydrophobicContact CG2-CE2 4.1Å; T35-F220 HydrophobicContact CG2-CZ 3.71Å; V148-F220 HydrophobicContact CB-CD1 4.5Å; V148-F220 HydrophobicContact CB-CE1 4.28Å; V148-F220 HydrophobicContact CG1-CE1 4.36Å; E149-F220 HydrophobicContact CB-CD1 3.94Å; E149-F220 HydrophobicContact CB-CE1 4.49Å; G197-F220 WeakPolarHBondContact CA-O 3.27Å; V198-F220 HydrophobicContact CB-CB 4.04Å; V198-F220 HydrophobicContact CB-CD2 4.06Å; V198-F220 HydrophobicContact CG1-CD2 4.4Å; V198-F220 HydrophobicContact CG2-CB 4.17Å; V198-F220 PolarHBondContact N-O 2.96Å; V198-F220 PolarHBondContact O-N 3.45Å; C218-F220 HydrophobicContact CB-CD2 4.12Å; C218-F220 HydrophobicContact CB-CE1 4.24Å; C218-F220 HydrophobicContact CB-CE2 3.32Å; C218-F220 HydrophobicContact CB-CZ 3.39Å; F220-L229 HydrophobicContact CB-CD2 4.26Å; F220-L229 HydrophobicContact CD1-CD1 4.45Å; F220-L229 HydrophobicContact CG-CD2 4.38Å
221L94.3Very high90Very high2 Ų257.1 Ų57.11%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-140.692172.7-165.870.4000109.5F126 V141 P144 A147 E149 L150 D151 V195F126-L221 HydrophobicContact CZ-CD2 3.92Å; V141-L221 HydrophobicContact CG1-CD1 4.49Å; V141-L221 HydrophobicContact CG1-CD2 4.34Å; P144-L221 HydrophobicContact CB-CD2 3.97Å; A147-L221 HydrophobicContact CB-CB 3.94Å; E149-L221 CarbonylContact O-C 3.52Å; E149-L221 VanDerWaalsContact O-C 3.3Å; E149-L221 PolarHBondContact O-N 3.43Å; L150-L221 WeakPolarHBondContact CA-O 3.38Å; L150-L221 HydrophobicContact CD1-CB 4.05Å; L150-L221 HydrophobicContact CD1-CD2 3.65Å; L150-L221 HydrophobicContact CD1-CG 4.12Å; D151-L221 PolarHBondContact N-O 2.84Å; V195-L221 HydrophobicContact CG1-CD1 3.39Å; V195-L221 HydrophobicContact CG1-CG 3.78Å
222T94.9Very high89.9Confident0 Ų059.8 Ų59.80%028%0.282CS..EExtended strand (participates in β ladder)trans-122.4150.2-173.1-177.80000111.8V195 T196 Q224 L229V195-T222 CarbonylContact C-O 3.56Å; V195-T222 WeakPolarHBondContact CA-O 3.38Å; T196-T222 PolarHBondContact N-O 2.96Å; T196-T222 PolarHBondContact O-N 2.84Å; T222-Q224 HydrophobicContact CG2-CB 4.29Å; T222-Q224 PolarHBondContact O-N 3.03Å; T222-Q224 PolarHBondContact OG1-N 3.41Å; T222-L229 HydrophobicContact CG2-CB 4.38Å; T222-L229 HydrophobicContact CG2-CD1 4.15Å; T222-L229 HydrophobicContact CG2-CD2 4.01Å; T222-L229 HydrophobicContact CG2-CG 4.4Å
223R93.4Very high89.7Confident75 Ų7559.4 Ų59.428%0.28328%0.279SS..SBendtrans-77.4-6.9171.6-61.8174.174.7-1467112.5D151 E153 L189 D193 V195D151-R223 HydrophobicContact CB-CB 4.47Å; D151-R223 HydrophobicContact CB-CG 4.32Å; D151-R223 WeakPolarHBondContact O-CD 3.45Å; E153-R223 VanDerWaalsContact CB-NH1 3.27Å; E153-R223 IonicContact OE2-CZ 3.27Å; E153-R223 IonicContact OE2-NH1 3.14Å; E153-R223 IonicContact OE2-NH2 3.03Å; E153-R223 PolarHBondContact OE2-NH2 3.35Å; L189-R223 HydrophobicContact CD1-CG 4.19Å; D193-R223 IonicContact OD1-NH2 3.2Å; D193-R223 IonicContact OD2-CZ 3.03Å; D193-R223 VanDerWaalsContact OD2-CZ 3.24Å; D193-R223 IonicContact OD2-NE 2.7Å; D193-R223 PolarHBondContact OD2-NE 3.21Å; D193-R223 IonicContact OD2-NH2 3.58Å; D193-R223 PolarHBondContact OD2-NH2 3.47Å; V195-R223 HydrophobicContact CG2-CG 4.49Å
224Q91.7Very high89.6Confident65 Ų6562.2 Ų62.230%0.30429%0.291SS..SBendtrans-84.4150.5179.2-57-17616.800111.6T196 T222T196-Q224 VanDerWaalsContact CB-O 3.3Å; T196-Q224 WeakPolarHBondContact CB-O 3.44Å; T196-Q224 PolarHBondContact OG1-O 3.3Å; T222-Q224 HydrophobicContact CG2-CB 4.29Å; T222-Q224 PolarHBondContact O-N 3.03Å; T222-Q224 PolarHBondContact OG1-N 3.41Å
225N91.9Very high90Very high96 Ų9656 Ų5651%0.51327%0.271SS..  trans-62.7154.8173.7-61.6-15.6000111.6E227 S228 L229N225-E227 VanDerWaalsContact C-N 3.27Å; N225-E227 PolarHBondContact O-N 3.41Å; N225-S228 WeakPolarHBondContact O-CB 3.38Å; N225-S228 PolarHBondContact O-N 2.92Å; N225-L229 PolarHBondContact O-N 2.95Å
226Y91.8Very high90.7Very high19 Ų1951.1 Ų51.18%0.07525%0.253CS..Hα-helixtrans-50.5-44.5177.2169.9-109.7000113.5L39 K44 V67 E69 S228 L229 L230L39-Y226 HydrophobicContact CD1-CE2 4.01Å; L39-Y226 HydrophobicContact CG-CE2 4.03Å; L39-Y226 PolarHBondContact O-OH 2.76Å; K44-Y226 HydrophobicContact CD-CD1 4.47Å; V67-Y226 HydrophobicContact CB-CD2 4.27Å; V67-Y226 HydrophobicContact CG1-CD2 3.65Å; V67-Y226 HydrophobicContact CG1-CE2 4.4Å; V67-Y226 HydrophobicContact CG1-CG 4.06Å; V67-Y226 HydrophobicContact CG2-CD2 3.8Å; V67-Y226 HydrophobicContact CG2-CE2 3.72Å; E69-Y226 WeakPolarHBondContact OE1-CB 3.43Å; E69-Y226 PolarHBondContact OE1-N 3.42Å; Y226-S228 VanDerWaalsContact C-N 3.32Å; Y226-S228 PolarHBondContact O-N 2.95Å; Y226-L229 PolarHBondContact O-N 3.32Å; Y226-L230 WeakPolarHBondContact O-CB 3.32Å; Y226-L230 PolarHBondContact O-N 3.31Å
227E92.4Very high91.3Very high112 Ų11245.9 Ų45.952%0.52323%0.226SC..Hα-helixtrans-63.8-36.8179.4-66.3-60153.700112.8N225 R231N225-E227 VanDerWaalsContact C-N 3.27Å; N225-E227 PolarHBondContact O-N 3.41Å; E227-R231 VanDerWaalsContact O-CB 3.27Å; E227-R231 WeakPolarHBondContact O-CB 3.37Å; E227-R231 PolarHBondContact O-N 3.45Å
228S92.2Very high91.4Very high46 Ų4651 Ų5132%0.32224%0.244SC..Hα-helixtrans-70-42.7177-64.70000110.9N225 Y226 R231 K232N225-S228 WeakPolarHBondContact O-CB 3.38Å; N225-S228 PolarHBondContact O-N 2.92Å; Y226-S228 VanDerWaalsContact C-N 3.32Å; Y226-S228 PolarHBondContact O-N 2.95Å; S228-R231 PolarHBondContact O-N 3.09Å; S228-K232 WeakPolarHBondContact O-CB 3.39Å; S228-K232 PolarHBondContact O-N 2.95Å
229L90.9Very high91.5Very high0 Ų053.5 Ų53.50%026%0.258CS..Hα-helixtrans-60.2-47174179.964.2000111.1L39 V198 F220 T222 N225 Y226 R231 K232 Q233L39-L229 HydrophobicContact CD1-CD2 4.39Å; L39-L229 HydrophobicContact CD2-CD2 4.25Å; L39-L229 HydrophobicContact CD2-CG 4.04Å; V198-L229 HydrophobicContact CG2-CD2 3.99Å; F220-L229 HydrophobicContact CB-CD2 4.26Å; F220-L229 HydrophobicContact CD1-CD1 4.45Å; F220-L229 HydrophobicContact CG-CD2 4.38Å; T222-L229 HydrophobicContact CG2-CB 4.38Å; T222-L229 HydrophobicContact CG2-CD1 4.15Å; T222-L229 HydrophobicContact CG2-CD2 4.01Å; T222-L229 HydrophobicContact CG2-CG 4.4Å; N225-L229 PolarHBondContact O-N 2.95Å; Y226-L229 PolarHBondContact O-N 3.32Å; L229-R231 PolarHBondContact O-N 2.91Å; L229-K232 WeakPolarHBondContact O-CB 3.33Å; L229-K232 PolarHBondContact O-N 3.19Å; L229-Q233 WeakPolarHBondContact O-CG 3.29Å; L229-Q233 PolarHBondContact O-N 2.72Å
230L91.9Very high91.5Very high19 Ų1956.4 Ų56.410%0.09927%0.269CS..Hα-helixtrans-61.3-46178.1-172.269.7000111.3L39 K40 Y226 K232 Q233 M234L39-L230 HydrophobicContact CB-CD1 4.16Å; L39-L230 HydrophobicContact CD2-CB 4.38Å; L39-L230 HydrophobicContact CD2-CD1 3.86Å; L39-L230 HydrophobicContact CG-CD1 3.91Å; K40-L230 HydrophobicContact CB-CD1 4.3Å; Y226-L230 WeakPolarHBondContact O-CB 3.32Å; Y226-L230 PolarHBondContact O-N 3.31Å; L230-K232 VanDerWaalsContact C-N 3.33Å; L230-K232 PolarHBondContact O-N 3.33Å; L230-Q233 PolarHBondContact O-N 3.44Å; L230-M234 HydrophobicContact CD1-CE 3.94Å; L230-M234 HydrophobicContact CD2-CE 4.08Å; L230-M234 HydrophobicContact CG-CE 3.91Å; L230-M234 HydrophobicContact CG-SD 4.44Å; L230-M234 WeakPolarHBondContact O-CB 3.5Å; L230-M234 WeakPolarHBondContact O-CG 3.13Å; L230-M234 PolarHBondContact O-N 2.9Å
231R92.1Very high91.5Very high175 Ų17561.2 Ų61.266%0.6629%0.287SS*.Hα-helixtrans-61.3-41.2176.8-170.8-173.8-56.81723.6111.7E227 S228 L229 M234 S235E227-R231 VanDerWaalsContact O-CB 3.27Å; E227-R231 WeakPolarHBondContact O-CB 3.37Å; E227-R231 PolarHBondContact O-N 3.45Å; S228-R231 PolarHBondContact O-N 3.09Å; L229-R231 PolarHBondContact O-N 2.91Å; R231-M234 PolarHBondContact O-N 3.45Å; R231-S235 VanDerWaalsContact O-CB 3.3Å; R231-S235 WeakPolarHBondContact O-CB 3.15Å; R231-S235 PolarHBondContact O-N 2.94Å; R231-S235 PolarHBondContact O-OG 2.98Å
232K90.6Very high91.5Very high96 Ų9666 Ų6642%0.41731%0.311SS..Hα-helixtrans-59.9-50.1176.8-173175.9-177.1176.30110.6E149 S228 L229 L230 M234 S235 G236E149-K232 WeakPolarHBondContact OE1-CE 3.42Å; E149-K232 IonicContact OE1-NZ 2.64Å; E149-K232 PolarHBondContact OE1-NZ 3.35Å; S228-K232 WeakPolarHBondContact O-CB 3.39Å; S228-K232 PolarHBondContact O-N 2.95Å; L229-K232 WeakPolarHBondContact O-CB 3.33Å; L229-K232 PolarHBondContact O-N 3.19Å; L230-K232 VanDerWaalsContact C-N 3.33Å; L230-K232 PolarHBondContact O-N 3.33Å; K232-M234 PolarHBondContact O-N 3.35Å; K232-S235 PolarHBondContact O-N 2.94Å; K232-S235 PolarHBondContact O-OG 3.01Å; K232-G236 PolarHBondContact O-N 3.44Å
233Q89.9Confident91.4Very high7 Ų768.7 Ų68.73%0.03333%0.325CS..Hα-helixtrans-64.1-42.8178.3-62.3-55.8-28.400112.3A36 L39 E149 L229 L230 S235 G236 V237A36-Q233 HydrophobicContact CB-CB 4.5Å; L39-Q233 HydrophobicContact CD2-CG 4.27Å; E149-Q233 PolarHBondContact OE2-NE2 2.87Å; L229-Q233 WeakPolarHBondContact O-CG 3.29Å; L229-Q233 PolarHBondContact O-N 2.72Å; L230-Q233 PolarHBondContact O-N 3.44Å; Q233-S235 PolarHBondContact O-N 2.72Å; Q233-G236 PolarHBondContact O-N 3.11Å; Q233-V237 WeakPolarHBondContact O-CG2 3.24Å; Q233-V237 PolarHBondContact O-N 3.3Å
234M89.1Confident91.5Very high77 Ų7765.7 Ų65.738%0.37932%0.316SS..Hα-helixtrans-67.1-32.9177.5-74.1-169.3-17900113.6A36 K40 L230 R231 K232 V237 R238A36-M234 HydrophobicContact CB-CG 4.43Å; K40-M234 HydrophobicContact CD-CE 4.19Å; L230-M234 HydrophobicContact CD1-CE 3.94Å; L230-M234 HydrophobicContact CD2-CE 4.08Å; L230-M234 HydrophobicContact CG-CE 3.91Å; L230-M234 HydrophobicContact CG-SD 4.44Å; L230-M234 WeakPolarHBondContact O-CB 3.5Å; L230-M234 WeakPolarHBondContact O-CG 3.13Å; L230-M234 PolarHBondContact O-N 2.9Å; R231-M234 PolarHBondContact O-N 3.45Å; K232-M234 PolarHBondContact O-N 3.35Å; M234-V237 WeakPolarHBondContact O-CB 3.22Å; M234-V237 PolarHBondContact O-N 2.99Å; M234-R238 PolarHBondContact O-N 2.72Å
235S87.9Confident91.7Very high51 Ų5169.7 Ų69.736%0.35733%0.329SS..Hα-helixtrans-64.5-41.5178.672.70000111.6R231 K232 Q233 V237 R238R231-S235 VanDerWaalsContact O-CB 3.3Å; R231-S235 WeakPolarHBondContact O-CB 3.15Å; R231-S235 PolarHBondContact O-N 2.94Å; R231-S235 PolarHBondContact O-OG 2.98Å; K232-S235 PolarHBondContact O-N 2.94Å; K232-S235 PolarHBondContact O-OG 3.01Å; Q233-S235 PolarHBondContact O-N 2.72Å; S235-V237 VanDerWaalsContact C-N 3.33Å; S235-V237 PolarHBondContact O-N 3.42Å; S235-R238 PolarHBondContact O-N 3.12Å
236G87.1Confident91.9Very high20 Ų2069.2 Ų69.221%0.20633%0.33CS..Hα-helixtrans-62.4-39.4175.400000112.4K232 Q233 R238 V239 W240K232-G236 PolarHBondContact O-N 3.44Å; Q233-G236 PolarHBondContact O-N 3.11Å; G236-R238 VanDerWaalsContact C-N 3.3Å; G236-R238 PolarHBondContact O-N 3.41Å; G236-V239 PolarHBondContact O-N 2.99Å; G236-W240 PolarHBondContact O-N 2.93Å
237V91.4Very high92Very high19 Ų1971.3 Ų71.312%0.11534%0.339CS..Hα-helixtrans-55.8-43.8177.3171.40000111.7Y29 R32 V33 A36 Q233 M234 S235 V239 R241Y29-V237 HydrophobicContact CD2-CG1 4.01Å; Y29-V237 HydrophobicContact CE2-CG1 3.59Å; R32-V237 HydrophobicContact CB-CG2 3.75Å; V33-V237 HydrophobicContact CG2-CG1 3.49Å; V33-V237 VanDerWaalsContact CG2-CG1 3.49Å; V33-V237 HydrophobicContact CG2-CG2 4.18Å; A36-V237 HydrophobicContact CB-CG2 4.37Å; Q233-V237 WeakPolarHBondContact O-CG2 3.24Å; Q233-V237 PolarHBondContact O-N 3.3Å; M234-V237 WeakPolarHBondContact O-CB 3.22Å; M234-V237 PolarHBondContact O-N 2.99Å; S235-V237 VanDerWaalsContact C-N 3.33Å; S235-V237 PolarHBondContact O-N 3.42Å; V237-V239 PolarHBondContact O-N 2.89Å; V237-R241 VanDerWaalsContact O-CB 3.24Å; V237-R241 WeakPolarHBondContact O-CB 3.4Å; V237-R241 PolarHBondContact O-N 2.86Å
238R88.9Confident92.2Very high152 Ų15266.8 Ų66.857%0.57432%0.323SS*.Hα-helixtrans-61.8-43.9178.8-81.4-172.1-71.7174.2-3.1112.2M234 S235 G236 R241 I242M234-R238 PolarHBondContact O-N 2.72Å; S235-R238 PolarHBondContact O-N 3.12Å; G236-R238 VanDerWaalsContact C-N 3.3Å; G236-R238 PolarHBondContact O-N 3.41Å; R238-R241 WeakPolarHBondContact O-CB 3.35Å; R238-R241 PolarHBondContact O-N 3.5Å; R238-I242 VanDerWaalsContact O-CG1 3.28Å; R238-I242 WeakPolarHBondContact O-CG1 3.29Å; R238-I242 PolarHBondContact O-N 3.34Å
239V91.2Very high92.4Very high84 Ų8470.6 Ų70.651%0.50934%0.339SS..Hα-helixtrans-63.4-50.7-179.5177.80000110.6G236 V237 R241 I242 L243G236-V239 PolarHBondContact O-N 2.99Å; V237-V239 PolarHBondContact O-N 2.89Å; V239-R241 VanDerWaalsContact C-N 3.28Å; V239-R241 PolarHBondContact O-N 3.34Å; V239-I242 PolarHBondContact O-N 3.01Å; V239-L243 HydrophobicContact CG1-CD1 4.01Å; V239-L243 WeakPolarHBondContact O-CG 3.45Å; V239-L243 PolarHBondContact O-N 3.07Å
240W92.9Very high92.6Very high68 Ų6872.6 Ų72.626%0.25836%0.355SS..Hα-helixtrans-64.4-33179.2-69.7111.5000112.9F25 I28 G236 L243 S244F25-W240 HydrophobicContact CB-CE3 4.31Å; F25-W240 AromaticContact CD1-CE3 3.92Å; F25-W240 HydrophobicContact CD1-CE3 3.92Å; F25-W240 AromaticContact CD1-CZ3 3.4Å; F25-W240 HydrophobicContact CD1-CZ3 3.4Å; F25-W240 VanDerWaalsContact CD1-CZ3 3.4Å; F25-W240 AromaticContact CE1-CZ3 3.75Å; F25-W240 HydrophobicContact CE1-CZ3 3.75Å; F25-W240 HydrophobicContact CG-CE3 4.3Å; F25-W240 HydrophobicContact CG-CZ3 4.21Å; I28-W240 HydrophobicContact CB-CD2 4.2Å; I28-W240 HydrophobicContact CB-CE3 4.25Å; I28-W240 HydrophobicContact CD1-CE3 4.29Å; I28-W240 HydrophobicContact CD1-CH2 3.74Å; I28-W240 HydrophobicContact CD1-CZ2 4.24Å; I28-W240 HydrophobicContact CD1-CZ3 3.78Å; I28-W240 HydrophobicContact CG2-CD2 3.6Å; I28-W240 HydrophobicContact CG2-CE3 4.1Å; I28-W240 HydrophobicContact CG2-CG 3.91Å; I28-W240 HydrophobicContact CG2-CH2 4.4Å; I28-W240 HydrophobicContact CG2-CZ2 3.94Å; I28-W240 HydrophobicContact CG2-CZ3 4.48Å; G236-W240 PolarHBondContact O-N 2.93Å; W240-L243 HydrophobicContact CE3-CD1 4.05Å; W240-L243 HydrophobicContact CZ3-CD1 4.22Å; W240-S244 WeakPolarHBondContact O-CB 3.43Å; W240-S244 PolarHBondContact O-N 2.92Å
241R94.1Very high92.7Very high103 Ų10372.2 Ų72.239%0.38936%0.355SS..Hα-helixtrans-62.8-48.7172.9-170.3173.966.2-179.72.8112Y29 V237 R238 V239 S244 Y245Y29-R241 HydrophobicContact CD2-CB 3.7Å; Y29-R241 HydrophobicContact CD2-CG 4.33Å; Y29-R241 HydrophobicContact CE2-CB 3.49Å; Y29-R241 VanDerWaalsContact CE2-CB 3.49Å; Y29-R241 HydrophobicContact CE2-CG 3.77Å; V237-R241 VanDerWaalsContact O-CB 3.24Å; V237-R241 WeakPolarHBondContact O-CB 3.4Å; V237-R241 PolarHBondContact O-N 2.86Å; R238-R241 WeakPolarHBondContact O-CB 3.35Å; R238-R241 PolarHBondContact O-N 3.5Å; V239-R241 VanDerWaalsContact C-N 3.28Å; V239-R241 PolarHBondContact O-N 3.34Å; R241-S244 PolarHBondContact O-N 3.22Å; R241-Y245 HydrophobicContact CG-CD2 3.78Å; R241-Y245 HydrophobicContact CG-CE2 3.43Å; R241-Y245 VanDerWaalsContact CG-CE2 3.43Å; R241-Y245 WeakPolarHBondContact O-CD2 3.29Å; R241-Y245 PolarHBondContact O-N 3.34Å
242I94.3Very high92.9Very high101 Ų10167.2 Ų67.252%0.51835%0.346SS..Hα-helixtrans-62-46.8179.3-67.8164.4000109.8R238 V239 S244 Y245 V246R238-I242 VanDerWaalsContact O-CG1 3.28Å; R238-I242 WeakPolarHBondContact O-CG1 3.29Å; R238-I242 PolarHBondContact O-N 3.34Å; V239-I242 PolarHBondContact O-N 3.01Å; I242-S244 PolarHBondContact O-N 2.99Å; I242-Y245 PolarHBondContact O-N 3.37Å; I242-V246 HydrophobicContact CG2-CG2 4.22Å; I242-V246 VanDerWaalsContact O-CG2 3.31Å; I242-V246 WeakPolarHBondContact O-CG2 3.48Å; I242-V246 PolarHBondContact O-N 3.08Å
243L94.5Very high93.1Very high57 Ų5765.9 Ų65.930%0.29835%0.349SS..Hα-helixtrans-58.1-47.3176.2-73.3169.4000111.6F25 V239 W240 Y245 V246 F247F25-L243 HydrophobicContact CD2-CB 3.94Å; F25-L243 HydrophobicContact CE2-CB 4.37Å; F25-L243 HydrophobicContact CG-CB 4.34Å; V239-L243 HydrophobicContact CG1-CD1 4.01Å; V239-L243 WeakPolarHBondContact O-CG 3.45Å; V239-L243 PolarHBondContact O-N 3.07Å; W240-L243 HydrophobicContact CE3-CD1 4.05Å; W240-L243 HydrophobicContact CZ3-CD1 4.22Å; L243-Y245 VanDerWaalsContact C-N 3.32Å; L243-Y245 PolarHBondContact O-N 3.34Å; L243-V246 PolarHBondContact O-N 3.37Å; L243-F247 HydrophobicContact CD2-CE2 4.27Å; L243-F247 WeakPolarHBondContact O-CD2 3.03Å; L243-F247 PolarHBondContact O-N 3.01Å; L243-F247 VanDerWaalsContact O-N 3.07Å
244S94.6Very high93.2Very high12 Ų1267.3 Ų67.38%0.08436%0.358CS..Hα-helixtrans-60.3-39.5177.6-177.70000112.5W240 R241 I242 G248W240-S244 WeakPolarHBondContact O-CB 3.43Å; W240-S244 PolarHBondContact O-N 2.92Å; R241-S244 PolarHBondContact O-N 3.22Å; I242-S244 PolarHBondContact O-N 2.99Å; S244-G248 PolarHBondContact O-N 3.07Å
245Y95.5Very high93.4Very high150 Ų15067.4 Ų67.459%0.58836%0.359SS*.Hα-helixtrans-70-44177.1-77.4-52.9000112.8R241 I242 L243 G248 L249R241-Y245 HydrophobicContact CG-CD2 3.78Å; R241-Y245 HydrophobicContact CG-CE2 3.43Å; R241-Y245 VanDerWaalsContact CG-CE2 3.43Å; R241-Y245 WeakPolarHBondContact O-CD2 3.29Å; R241-Y245 PolarHBondContact O-N 3.34Å; I242-Y245 PolarHBondContact O-N 3.37Å; L243-Y245 VanDerWaalsContact C-N 3.32Å; L243-Y245 PolarHBondContact O-N 3.34Å; Y245-G248 PolarHBondContact O-N 3.1Å; Y245-L249 WeakPolarHBondContact O-CB 3.3Å; Y245-L249 VanDerWaalsContact O-CG 3.3Å; Y245-L249 WeakPolarHBondContact O-CG 3.2Å; Y245-L249 PolarHBondContact O-N 2.93Å
246V96.2Very high93.8Very high86 Ų8670.7 Ų70.752%0.52137%0.373SS..Hα-helixtrans-61.8-49.4-178.8169.80000110.8I242 L243 L249 A250I242-V246 HydrophobicContact CG2-CG2 4.22Å; I242-V246 VanDerWaalsContact O-CG2 3.31Å; I242-V246 WeakPolarHBondContact O-CG2 3.48Å; I242-V246 PolarHBondContact O-N 3.08Å; L243-V246 PolarHBondContact O-N 3.37Å; V246-L249 PolarHBondContact O-N 2.92Å; V246-A250 PolarHBondContact O-N 3.05Å; V246-A250 VanDerWaalsContact O-N 3.1Å
247F95.1Very high94Very high63 Ų6375.6 Ų75.628%0.27639%0.386SS..Hα-helixtrans-69.5-34.6178.3-78.9-92.6000112.3L21 T22 F25 L243 A250 A251L21-F247 HydrophobicContact CB-CD1 3.94Å; L21-F247 HydrophobicContact CB-CE1 4.33Å; L21-F247 HydrophobicContact CB-CG 4.41Å; L21-F247 HydrophobicContact CD1-CD1 3.86Å; L21-F247 HydrophobicContact CD1-CE1 3.46Å; L21-F247 VanDerWaalsContact CD1-CE1 3.46Å; L21-F247 HydrophobicContact CD1-CZ 4.26Å; T22-F247 WeakPolarHBondContact OG1-CB 3.42Å; T22-F247 PolarHBondContact OG1-O 3.36Å; F25-F247 AromaticContact CD2-CD2 3.88Å; F25-F247 HydrophobicContact CD2-CD2 3.88Å; F25-F247 HydrophobicContact CD2-CE2 4.37Å; F25-F247 HydrophobicContact CD2-CG 4.25Å; F25-F247 AromaticContact CE2-CD2 3.54Å; F25-F247 HydrophobicContact CE2-CD2 3.54Å; F25-F247 AromaticContact CE2-CE2 3.6Å; F25-F247 HydrophobicContact CE2-CE2 3.6Å; F25-F247 HydrophobicContact CE2-CG 4.02Å; F25-F247 HydrophobicContact CE2-CZ 4.13Å; L243-F247 HydrophobicContact CD2-CE2 4.27Å; L243-F247 WeakPolarHBondContact O-CD2 3.03Å; L243-F247 PolarHBondContact O-N 3.01Å; L243-F247 VanDerWaalsContact O-N 3.07Å; F247-A250 PolarHBondContact O-N 3.26Å; F247-A251 WeakPolarHBondContact O-CB 3.48Å; F247-A251 PolarHBondContact O-N 2.85Å
248G95.4Very high94Very high17 Ų1775.8 Ų75.818%0.17539%0.387CS..Hα-helixtrans-63.5-43174.300000112.7T22 S244 Y245 A251 C252T22-G248 PolarHBondContact OG1-N 2.89Å; S244-G248 PolarHBondContact O-N 3.07Å; Y245-G248 PolarHBondContact O-N 3.1Å; G248-A251 PolarHBondContact O-N 2.96Å; G248-C252 WeakPolarHBondContact O-CB 3.31Å; G248-C252 PolarHBondContact O-N 3.43Å; G248-C252 PolarHBondContact O-SG 2.87Å; G248-C252 VanDerWaalsContact O-SG 3.37Å
249L96.3Very high94.1Very high126 Ų12672.5 Ų72.566%0.6638%0.38SS*.Hα-helixtrans-64.2-39.7175.3-73.6173.1000111.9Y245 V246 C252 S253Y245-L249 WeakPolarHBondContact O-CB 3.3Å; Y245-L249 VanDerWaalsContact O-CG 3.3Å; Y245-L249 WeakPolarHBondContact O-CG 3.2Å; Y245-L249 PolarHBondContact O-N 2.93Å; V246-L249 PolarHBondContact O-N 2.92Å; L249-C252 PolarHBondContact O-N 2.97Å; L249-S253 WeakPolarHBondContact O-CB 3.41Å; L249-S253 PolarHBondContact O-N 2.97Å; L249-S253 PolarHBondContact O-OG 2.94Å
250A94.6Very high94.3Very high41 Ų4176.2 Ų76.234%0.33939%0.385SS..Hα-helixtrans-65.6-40.1175.100000112.5V246 F247 S253 T254V246-A250 PolarHBondContact O-N 3.05Å; V246-A250 VanDerWaalsContact O-N 3.1Å; F247-A250 PolarHBondContact O-N 3.26Å; A250-S253 PolarHBondContact O-OG 3.43Å; A250-T254 WeakPolarHBondContact O-CB 3.3Å; A250-T254 VanDerWaalsContact O-CG2 3.3Å; A250-T254 WeakPolarHBondContact O-CG2 3.44Å; A250-T254 PolarHBondContact O-N 3.34Å; A250-T254 PolarHBondContact O-OG1 3.43Å
251A94.8Very high94.1Very high11 Ų1176.1 Ų76.19%0.09139%0.386CS..Hα-helixtrans-65-43.4174.800000111.3L15 F247 G248 T254 L255L15-A251 WeakPolarHBondContact CD1-O 3.43Å; F247-A251 WeakPolarHBondContact O-CB 3.48Å; F247-A251 PolarHBondContact O-N 2.85Å; G248-A251 PolarHBondContact O-N 2.96Å; A251-T254 PolarHBondContact O-OG1 2.99Å; A251-L255 VanDerWaalsContact O-CB 3.26Å; A251-L255 WeakPolarHBondContact O-CB 3.47Å; A251-L255 PolarHBondContact O-N 2.87Å
252C96.1Very high93.8Very high71 Ų7178.6 Ų78.648%0.4840%0.396SS..Hα-helixtrans-64-43.5176.4-74.30000112.5G248 L249 L255 L256G248-C252 WeakPolarHBondContact O-CB 3.31Å; G248-C252 PolarHBondContact O-N 3.43Å; G248-C252 PolarHBondContact O-SG 2.87Å; G248-C252 VanDerWaalsContact O-SG 3.37Å; L249-C252 PolarHBondContact O-N 2.97Å; C252-L255 PolarHBondContact O-N 3.43Å; C252-L256 WeakPolarHBondContact O-CB 3.36Å; C252-L256 VanDerWaalsContact O-CG 3.29Å; C252-L256 WeakPolarHBondContact O-CG 3.29Å; C252-L256 PolarHBondContact O-N 3.36Å
253S94.8Very high93.6Very high68 Ų6880.5 Ų80.548%0.47640%0.398SS..Hα-helixtrans-66.5-41.7-179.666.50000112.1L249 A250 L256 Y257L249-S253 WeakPolarHBondContact O-CB 3.41Å; L249-S253 PolarHBondContact O-N 2.97Å; L249-S253 PolarHBondContact O-OG 2.94Å; A250-S253 PolarHBondContact O-OG 3.43Å; S253-L256 PolarHBondContact O-N 2.91Å; S253-Y257 WeakPolarHBondContact O-CB 3.26Å; S253-Y257 PolarHBondContact O-N 2.86Å
254T92.1Very high93.4Very high36 Ų3680 Ų8022%0.22140%0.397CS..Hα-helixtrans-66.7-40.3175.852.60000111.9V14 A250 A251 Y257 V258V14-T254 HydrophobicContact CG1-CG2 4.12Å; A250-T254 WeakPolarHBondContact O-CB 3.3Å; A250-T254 VanDerWaalsContact O-CG2 3.3Å; A250-T254 WeakPolarHBondContact O-CG2 3.44Å; A250-T254 PolarHBondContact O-N 3.34Å; A250-T254 PolarHBondContact O-OG1 3.43Å; A251-T254 PolarHBondContact O-OG1 2.99Å; T254-Y257 PolarHBondContact O-N 3.49Å; T254-V258 WeakPolarHBondContact O-CG2 3.43Å; T254-V258 PolarHBondContact O-N 2.91Å
255L94.1Very high93.1Very high79 Ų7982.8 Ų82.841%0.41441%0.409SS..Hα-helixtrans-60.7-48.5173.9-178.465.7000111.6L15 A251 C252 Y257 V258 L259L15-L255 HydrophobicContact CD1-CB 3.96Å; L15-L255 HydrophobicContact CD2-CD1 3.97Å; A251-L255 VanDerWaalsContact O-CB 3.26Å; A251-L255 WeakPolarHBondContact O-CB 3.47Å; A251-L255 PolarHBondContact O-N 2.87Å; C252-L255 PolarHBondContact O-N 3.43Å; L255-Y257 VanDerWaalsContact C-N 3.31Å; L255-Y257 PolarHBondContact O-N 3.08Å; L255-V258 PolarHBondContact O-N 3.32Å; L255-L259 HydrophobicContact CD1-CD1 4.23Å; L255-L259 HydrophobicContact CD1-CG 4.34Å; L255-L259 HydrophobicContact CG-CD1 4Å; L255-L259 HydrophobicContact CG-CG 4.47Å; L255-L259 WeakPolarHBondContact O-CB 3.28Å; L255-L259 VanDerWaalsContact O-CG 3.28Å; L255-L259 WeakPolarHBondContact O-CG 3.46Å; L255-L259 PolarHBondContact O-N 2.89Å
256L95.1Very high92.7Very high121 Ų12177.5 Ų77.563%0.63439%0.393SS*.Hα-helixtrans-61.2-40.3178-74.2173.2000111.8C252 S253 L259 W260C252-L256 WeakPolarHBondContact O-CB 3.36Å; C252-L256 VanDerWaalsContact O-CG 3.29Å; C252-L256 WeakPolarHBondContact O-CG 3.29Å; C252-L256 PolarHBondContact O-N 3.36Å; S253-L256 PolarHBondContact O-N 2.91Å; L256-L259 PolarHBondContact O-N 3.3Å; L256-W260 VanDerWaalsContact O-CB 3.24Å; L256-W260 WeakPolarHBondContact O-CB 3.27Å; L256-W260 PolarHBondContact O-N 2.97Å
257Y92.8Very high92.3Very high123 Ų12380.2 Ų80.248%0.48239%0.394SS..Hα-helixtrans-63.3-47176.2177.7-99000112.2S253 T254 L255 L259 W260 K261S253-Y257 WeakPolarHBondContact O-CB 3.26Å; S253-Y257 PolarHBondContact O-N 2.86Å; T254-Y257 PolarHBondContact O-N 3.49Å; L255-Y257 VanDerWaalsContact C-N 3.31Å; L255-Y257 PolarHBondContact O-N 3.08Å; Y257-L259 PolarHBondContact O-N 2.74Å; Y257-W260 PolarHBondContact O-N 2.83Å; Y257-K261 HydrophobicContact CE1-CD 4.28Å; Y257-K261 WeakPolarHBondContact O-CB 3.43Å; Y257-K261 PolarHBondContact O-N 3.15Å
258V90.8Very high92Very high22 Ų2281.9 Ų81.913%0.13340%0.402CS..Hα-helixtrans-62.6-43.8177.7170.50000110.9P7 E11 T254 L255 K261 W262P7-V258 HydrophobicContact CB-CG1 4.06Å; E11-V258 HydrophobicContact CB-CG2 4.09Å; T254-V258 WeakPolarHBondContact O-CG2 3.43Å; T254-V258 PolarHBondContact O-N 2.91Å; L255-V258 PolarHBondContact O-N 3.32Å; V258-K261 PolarHBondContact O-N 3.03Å; V258-W262 VanDerWaalsContact O-CB 3.3Å; V258-W262 WeakPolarHBondContact O-CB 3.35Å; V258-W262 PolarHBondContact O-N 3.48Å
259L91.8Very high91.4Very high84 Ų8482.9 Ų82.944%0.4441%0.406SS..Hα-helixtrans-64.2-40.9176.5-71.7175000112L255 L256 Y257 W262 Y263L255-L259 HydrophobicContact CD1-CD1 4.23Å; L255-L259 HydrophobicContact CD1-CG 4.34Å; L255-L259 HydrophobicContact CG-CD1 4Å; L255-L259 HydrophobicContact CG-CG 4.47Å; L255-L259 WeakPolarHBondContact O-CB 3.28Å; L255-L259 VanDerWaalsContact O-CG 3.28Å; L255-L259 WeakPolarHBondContact O-CG 3.46Å; L255-L259 PolarHBondContact O-N 2.89Å; L256-L259 PolarHBondContact O-N 3.3Å; Y257-L259 PolarHBondContact O-N 2.74Å; L259-W262 PolarHBondContact O-N 3.45Å; L259-Y263 VanDerWaalsContact O-CB 3.28Å; L259-Y263 WeakPolarHBondContact O-CB 3.41Å; L259-Y263 PolarHBondContact O-N 3.5Å
260W93.7Very high90.9Very high161 Ų16186.1 Ų86.161%0.6141%0.41SS*.Hα-helixtrans-64.5-46.5176.5179.177.6000111.7L256 Y257 W262 Y263 V264L256-W260 VanDerWaalsContact O-CB 3.24Å; L256-W260 WeakPolarHBondContact O-CB 3.27Å; L256-W260 PolarHBondContact O-N 2.97Å; Y257-W260 PolarHBondContact O-N 2.83Å; W260-W262 VanDerWaalsContact C-N 3.33Å; W260-W262 PolarHBondContact O-N 3.44Å; W260-Y263 WeakPolarHBondContact O-CB 3.4Å; W260-Y263 PolarHBondContact O-N 3.42Å; W260-V264 HydrophobicContact CD2-CG2 4.26Å; W260-V264 HydrophobicContact CZ2-CG2 4.1Å; W260-V264 WeakPolarHBondContact O-CG2 3.35Å; W260-V264 PolarHBondContact O-N 3.44Å
261K89.7Confident90.6Very high66 Ų6689.9 Ų89.929%0.28742%0.419SS..Hα-helixtrans-60.1-43.8175.7-174.8-179.7177.5-173.50111.4E11 Y257 V258 V264 H265E11-K261 VanDerWaalsContact CD-NZ 3.32Å; E11-K261 IonicContact OE1-NZ 2.71Å; E11-K261 PolarHBondContact OE1-NZ 3.12Å; E11-K261 IonicContact OE2-NZ 2.74Å; E11-K261 PolarHBondContact OE2-NZ 2.9Å; Y257-K261 HydrophobicContact CE1-CD 4.28Å; Y257-K261 WeakPolarHBondContact O-CB 3.43Å; Y257-K261 PolarHBondContact O-N 3.15Å; V258-K261 PolarHBondContact O-N 3.03Å; K261-V264 PolarHBondContact O-N 3.22Å; K261-H265 WeakPolarHBondContact O-CB 3.37Å; K261-H265 PolarHBondContact O-N 2.95Å
262W87.8Confident90.1Very high155 Ų15598.3 Ų98.359%0.58745%0.448SS*.Hα-helixtrans-64-41175.2179.865.9000112.3V258 L259 W260 H265 C266V258-W262 VanDerWaalsContact O-CB 3.3Å; V258-W262 WeakPolarHBondContact O-CB 3.35Å; V258-W262 PolarHBondContact O-N 3.48Å; L259-W262 PolarHBondContact O-N 3.45Å; W260-W262 VanDerWaalsContact C-N 3.33Å; W260-W262 PolarHBondContact O-N 3.44Å; W262-H265 PolarHBondContact O-N 2.88Å; W262-C266 VanDerWaalsContact O-CB 3.3Å; W262-C266 WeakPolarHBondContact O-CB 3.45Å; W262-C266 PolarHBondContact O-N 2.85Å
263Y90.9Very high89.6Confident142 Ų142103.3 Ų103.356%0.55746%0.457SS*.Hα-helixtrans-62.2-48.4176173.8-102000111.9L259 W260 H265 C266 R267L259-Y263 VanDerWaalsContact O-CB 3.28Å; L259-Y263 WeakPolarHBondContact O-CB 3.41Å; L259-Y263 PolarHBondContact O-N 3.5Å; W260-Y263 WeakPolarHBondContact O-CB 3.4Å; W260-Y263 PolarHBondContact O-N 3.42Å; Y263-H265 VanDerWaalsContact C-N 3.34Å; Y263-H265 PolarHBondContact O-N 3.44Å; Y263-C266 PolarHBondContact O-N 2.83Å; Y263-R267 WeakPolarHBondContact O-CB 3.26Å; Y263-R267 PolarHBondContact O-N 2.79Å
264V90.3Very high89.4Confident47 Ų47102.3 Ų102.329%0.28545%0.45SS..Hα-helixtrans-59.8-46.1176.5172.30000110.3W260 K261 C266 R267 E268W260-V264 HydrophobicContact CD2-CG2 4.26Å; W260-V264 HydrophobicContact CZ2-CG2 4.1Å; W260-V264 WeakPolarHBondContact O-CG2 3.35Å; W260-V264 PolarHBondContact O-N 3.44Å; K261-V264 PolarHBondContact O-N 3.22Å; V264-C266 PolarHBondContact O-N 2.95Å; V264-R267 WeakPolarHBondContact O-CB 3.3Å; V264-R267 PolarHBondContact O-N 2.83Å; V264-E268 WeakPolarHBondContact O-CG 3.3Å; V264-E268 PolarHBondContact O-N 3.36Å
265H86.9Confident89.2Confident70 Ų70104.8 Ų104.832%0.32447%0.465SS..Hα-helixtrans-64.5-42.3178.9-171.769.6000113K261 W262 Y263 R267 E268 S269K261-H265 WeakPolarHBondContact O-CB 3.37Å; K261-H265 PolarHBondContact O-N 2.95Å; W262-H265 PolarHBondContact O-N 2.88Å; Y263-H265 VanDerWaalsContact C-N 3.34Å; Y263-H265 PolarHBondContact O-N 3.44Å; H265-R267 VanDerWaalsContact C-N 3.32Å; H265-R267 PolarHBondContact O-N 2.89Å; H265-E268 PolarHBondContact O-N 3.2Å; H265-S269 VanDerWaalsContact O-CB 3.26Å; H265-S269 WeakPolarHBondContact O-CB 3.36Å; H265-S269 PolarHBondContact O-N 3.17Å; H265-S269 PolarHBondContact O-OG 3.12Å
266C87.3Confident89Confident38 Ų38106 Ų10626%0.25747%0.468SS..Hα-helixtrans-62-40.4173.9-85.40000111.5W262 Y263 V264 S269 R270W262-C266 VanDerWaalsContact O-CB 3.3Å; W262-C266 WeakPolarHBondContact O-CB 3.45Å; W262-C266 PolarHBondContact O-N 2.85Å; Y263-C266 PolarHBondContact O-N 2.83Å; V264-C266 PolarHBondContact O-N 2.95Å; C266-S269 PolarHBondContact O-N 3.44Å; C266-R270 WeakPolarHBondContact O-CB 3.28Å; C266-R270 WeakPolarHBondContact O-CG 3.24Å; C266-R270 PolarHBondContact O-N 2.8Å
267R88.5Confident88.8Confident143 Ų143106.5 Ų106.554%0.5447%0.468SS..Hα-helixtrans-64.4-45177.8-172.3-179.3-177.4-162.41.9111.6Y263 V264 H265 K271Y263-R267 WeakPolarHBondContact O-CB 3.26Å; Y263-R267 PolarHBondContact O-N 2.79Å; V264-R267 WeakPolarHBondContact O-CB 3.3Å; V264-R267 PolarHBondContact O-N 2.83Å; H265-R267 VanDerWaalsContact C-N 3.32Å; H265-R267 PolarHBondContact O-N 2.89Å; R267-K271 WeakPolarHBondContact O-CG 3.36Å; R267-K271 PolarHBondContact O-N 3.5Å; R267-K271 VanDerWaalsContact O-N 3.16Å
268E88.5Confident88.7Confident99 Ų99106.2 Ų106.246%0.46347%0.471SS..Hα-helixtrans-66.4-41.1175.9-72.9179.4-178.300112.3V264 H265 R270 K271 R272V264-E268 WeakPolarHBondContact O-CG 3.3Å; V264-E268 PolarHBondContact O-N 3.36Å; H265-E268 PolarHBondContact O-N 3.2Å; E268-R270 PolarHBondContact O-N 3.14Å; E268-K271 PolarHBondContact O-N 2.95Å; E268-R272 WeakPolarHBondContact O-CG 3.26Å; E268-R272 PolarHBondContact O-N 3.42Å
269S83.6Confident88.7Confident37 Ų37111.1 Ų111.126%0.25949%0.49SS..Hα-helixtrans-65.2-38.7178.2-61.50000111.9H265 C266 R272 R273H265-S269 VanDerWaalsContact O-CB 3.26Å; H265-S269 WeakPolarHBondContact O-CB 3.36Å; H265-S269 PolarHBondContact O-N 3.17Å; H265-S269 PolarHBondContact O-OG 3.12Å; C266-S269 PolarHBondContact O-N 3.44Å; S269-R272 PolarHBondContact O-N 2.98Å; S269-R273 WeakPolarHBondContact O-CB 3.25Å; S269-R273 WeakPolarHBondContact O-CG 3.25Å; S269-R273 PolarHBondContact O-N 2.83Å
270R84.8Confident88.6Confident194 Ų194111.6 Ų111.673%0.73249%0.489SS*.Hα-helixtrans-62.6-43.4172.5-77.2-177.4-167.5-159.13.9111.9C266 E268 R273 S274C266-R270 WeakPolarHBondContact O-CB 3.28Å; C266-R270 WeakPolarHBondContact O-CG 3.24Å; C266-R270 PolarHBondContact O-N 2.8Å; E268-R270 PolarHBondContact O-N 3.14Å; R270-R273 PolarHBondContact O-N 2.9Å; R270-S274 PolarHBondContact O-N 3Å
271K88.8Confident88.4Confident121 Ų121108.1 Ų108.153%0.52648%0.479SS..Hα-helixtrans-62.7-42.6175.7-72.5-178.3177.8-172.10112.5R267 E268 R273 S274 V275R267-K271 WeakPolarHBondContact O-CG 3.36Å; R267-K271 PolarHBondContact O-N 3.5Å; R267-K271 VanDerWaalsContact O-N 3.16Å; E268-K271 PolarHBondContact O-N 2.95Å; K271-R273 VanDerWaalsContact C-N 3.33Å; K271-S274 PolarHBondContact O-N 3.01Å; K271-S274 PolarHBondContact O-OG 2.76Å; K271-V275 VanDerWaalsContact O-CG2 3.28Å; K271-V275 WeakPolarHBondContact O-CG2 3.47Å; K271-V275 PolarHBondContact O-N 3.11Å
272R84.6Confident88.4Confident187 Ų187111.1 Ų111.171%0.70650%0.495SS*.Hα-helixtrans-63.1-41.7176.8-73.3178.1-179.9-113.42111.4E268 S269 V275 E276E268-R272 WeakPolarHBondContact O-CG 3.26Å; E268-R272 PolarHBondContact O-N 3.42Å; S269-R272 PolarHBondContact O-N 2.98Å; R272-V275 PolarHBondContact O-N 3.26Å; R272-E276 WeakPolarHBondContact O-CB 3.28Å; R272-E276 PolarHBondContact O-N 2.84Å
273R85.8Confident88.3Confident176 Ų176109 Ų10966%0.66449%0.491SS*.Hα-helixtrans-63.3-45.1175.9-75.2178.7175.7-168.6-2.1112.5S269 R270 K271 V275 E276 E277S269-R273 WeakPolarHBondContact O-CB 3.25Å; S269-R273 WeakPolarHBondContact O-CG 3.25Å; S269-R273 PolarHBondContact O-N 2.83Å; R270-R273 PolarHBondContact O-N 2.9Å; K271-R273 VanDerWaalsContact C-N 3.33Å; R273-V275 VanDerWaalsContact C-N 3.35Å; R273-V275 PolarHBondContact O-N 3.49Å; R273-E276 PolarHBondContact O-N 3.15Å; R273-E277 WeakPolarHBondContact O-CB 3.39Å; R273-E277 WeakPolarHBondContact O-CG 3.33Å; R273-E277 PolarHBondContact O-N 2.88Å
274S89.2Confident88Confident48 Ų48110.2 Ų110.234%0.33650%0.495SS..Hα-helixtrans-62.7-42177.966.90000111.8R270 K271 E277 E278R270-S274 PolarHBondContact O-N 3Å; K271-S274 PolarHBondContact O-N 3.01Å; K271-S274 PolarHBondContact O-OG 2.76Å; S274-E277 PolarHBondContact O-N 3.47Å; S274-E278 WeakPolarHBondContact O-CB 3.47Å; S274-E278 VanDerWaalsContact O-CG 3.29Å; S274-E278 WeakPolarHBondContact O-CG 3.33Å; S274-E278 PolarHBondContact O-N 3.41Å
275V89.3Confident87.8Confident88 Ų88114.3 Ų114.353%0.53351%0.505SS..Hα-helixtrans-65.1-40176.5172.70000111.9K271 R272 R273 E278 F279K271-V275 VanDerWaalsContact O-CG2 3.28Å; K271-V275 WeakPolarHBondContact O-CG2 3.47Å; K271-V275 PolarHBondContact O-N 3.11Å; R272-V275 PolarHBondContact O-N 3.26Å; R273-V275 VanDerWaalsContact C-N 3.35Å; R273-V275 PolarHBondContact O-N 3.49Å; V275-E278 PolarHBondContact O-N 2.82Å; V275-F279 WeakPolarHBondContact O-CB 3.36Å; V275-F279 PolarHBondContact O-N 3.35Å
276E88.9Confident87.8Confident103 Ų103115.6 Ų115.648%0.48151%0.514SS..Hα-helixtrans-69.2-37.2177.3-168.4179.6161.300112.2R272 R273 F279 K280R272-E276 WeakPolarHBondContact O-CB 3.28Å; R272-E276 PolarHBondContact O-N 2.84Å; R273-E276 PolarHBondContact O-N 3.15Å; E276-F279 PolarHBondContact O-N 2.87Å; E276-K280 HydrophobicContact CG-CD 4.43Å; E276-K280 WeakPolarHBondContact O-CB 3.46Å; E276-K280 VanDerWaalsContact O-CG 3.32Å; E276-K280 WeakPolarHBondContact O-CG 3.38Å; E276-K280 PolarHBondContact O-N 3.18Å; E276-K280 VanDerWaalsContact OE1-CE 3.26Å; E276-K280 WeakPolarHBondContact OE1-CE 3.26Å; E276-K280 IonicContact OE1-NZ 3.55Å; E276-K280 PolarHBondContact OE1-NZ 2.9Å
277E90.4Very high87.3Confident132 Ų132116.7 Ų116.762%0.61752%0.516SS*.Hα-helixtrans-63.9-45.6172.7-75.9171.9-174.500111.4R273 S274 F279 K280 E281R273-E277 WeakPolarHBondContact O-CB 3.39Å; R273-E277 WeakPolarHBondContact O-CG 3.33Å; R273-E277 PolarHBondContact O-N 2.88Å; S274-E277 PolarHBondContact O-N 3.47Å; E277-F279 PolarHBondContact O-N 2.85Å; E277-K280 PolarHBondContact O-N 2.87Å; E277-E281 WeakPolarHBondContact O-CB 3.45Å; E277-E281 PolarHBondContact O-N 3.24Å
278E90.9Very high86.9Confident117 Ų117118 Ų11855%0.54752%0.521SS..Hα-helixtrans-58.2-46.8174.1-76.2170.5-165.400111.4S274 V275 E281 Q282S274-E278 WeakPolarHBondContact O-CB 3.47Å; S274-E278 VanDerWaalsContact O-CG 3.29Å; S274-E278 WeakPolarHBondContact O-CG 3.33Å; S274-E278 PolarHBondContact O-N 3.41Å; V275-E278 PolarHBondContact O-N 2.82Å; E278-E281 PolarHBondContact O-N 3.49Å; E278-Q282 WeakPolarHBondContact O-CG 3.47Å; E278-Q282 PolarHBondContact O-N 2.93Å
279F90.9Very high86.4Confident125 Ų125120.7 Ų120.755%0.54853%0.533SS..Hα-helixtrans-63.2-43.6177.9-175.4-98.7000112.2V275 E276 E277 E281 Q282 Q283V275-F279 WeakPolarHBondContact O-CB 3.36Å; V275-F279 PolarHBondContact O-N 3.35Å; E276-F279 PolarHBondContact O-N 2.87Å; E277-F279 PolarHBondContact O-N 2.85Å; F279-E281 VanDerWaalsContact C-N 3.32Å; F279-E281 PolarHBondContact O-N 3.44Å; F279-Q282 PolarHBondContact O-N 3.16Å; F279-Q283 PolarHBondContact O-N 3.21Å
280K89.6Confident86.1Confident94 Ų94123.8 Ų123.841%0.40955%0.547SS..Hα-helixtrans-62.7-39.6175.6-78.2173.7-175.5164.80111.6E276 E277 Q283 R284E276-K280 HydrophobicContact CG-CD 4.43Å; E276-K280 WeakPolarHBondContact O-CB 3.46Å; E276-K280 VanDerWaalsContact O-CG 3.32Å; E276-K280 WeakPolarHBondContact O-CG 3.38Å; E276-K280 PolarHBondContact O-N 3.18Å; E276-K280 VanDerWaalsContact OE1-CE 3.26Å; E276-K280 WeakPolarHBondContact OE1-CE 3.26Å; E276-K280 IonicContact OE1-NZ 3.55Å; E276-K280 PolarHBondContact OE1-NZ 2.9Å; E277-K280 PolarHBondContact O-N 2.87Å; K280-Q283 PolarHBondContact O-N 2.88Å; K280-R284 WeakPolarHBondContact O-CG 3.5Å; K280-R284 PolarHBondContact O-N 3.45Å
281E90.6Very high85.2Confident88 Ų88123 Ų12341%0.41155%0.551SS.*Hα-helixtrans-66.3-43.1177.3-163.9-17616100111.4E277 E278 F279 Q283 R284 R285E277-E281 WeakPolarHBondContact O-CB 3.45Å; E277-E281 PolarHBondContact O-N 3.24Å; E278-E281 PolarHBondContact O-N 3.49Å; F279-E281 VanDerWaalsContact C-N 3.32Å; F279-E281 PolarHBondContact O-N 3.44Å; E281-Q283 VanDerWaalsContact C-N 3.35Å; E281-Q283 PolarHBondContact O-N 2.92Å; E281-R284 PolarHBondContact O-N 3.46Å; E281-R285 WeakPolarHBondContact O-CG 3.43Å; E281-R285 PolarHBondContact O-N 3.34Å; E281-R285 IonicContact OE1-CZ 3.45Å; E281-R285 IonicContact OE1-NE 3.36Å; E281-R285 PolarHBondContact OE1-NE 3.43Å; E281-R285 IonicContact OE1-NH2 2.73Å; E281-R285 PolarHBondContact OE1-NH2 3.48Å
282Q89.4Confident83.9Confident130 Ų130121.4 Ų121.461%0.60755%0.548SS*.Hα-helixtrans-58-46.4172.9-74.5179.8-33.900111.5E278 F279 R284 R285 L286E278-Q282 WeakPolarHBondContact O-CG 3.47Å; E278-Q282 PolarHBondContact O-N 2.93Å; F279-Q282 PolarHBondContact O-N 3.16Å; Q282-R284 PolarHBondContact O-N 3.29Å; Q282-R285 PolarHBondContact O-N 2.98Å; Q282-L286 PolarHBondContact O-N 2.96Å
283Q84.4Confident82.7Confident111 Ų111119.4 Ų119.452%0.51955%0.546SS..Hα-helixtrans-61.4-41.9176.9-167-177-51.200111.9F279 K280 E281 R285 L286 M287F279-Q283 PolarHBondContact O-N 3.21Å; K280-Q283 PolarHBondContact O-N 2.88Å; E281-Q283 VanDerWaalsContact C-N 3.35Å; E281-Q283 PolarHBondContact O-N 2.92Å; Q283-R285 PolarHBondContact O-N 2.71Å; Q283-L286 PolarHBondContact O-N 3.43Å; Q283-M287 WeakPolarHBondContact O-CG 3.41Å; Q283-M287 PolarHBondContact O-N 2.95Å
284R84.9Confident81.1Confident167 Ų167120.4 Ų120.463%0.6356%0.558SS**Hα-helixtrans-66.1-33.8175.2-72.3179.9-158.3168.85.8113.1K280 E281 Q282 R288K280-R284 WeakPolarHBondContact O-CG 3.5Å; K280-R284 PolarHBondContact O-N 3.45Å; E281-R284 PolarHBondContact O-N 3.46Å; Q282-R284 PolarHBondContact O-N 3.29Å; R284-R288 WeakPolarHBondContact O-CG 3.33Å; R284-R288 PolarHBondContact O-N 3.46Å; R284-R288 PolarHBondContact O-NE 2.88Å
285R86.9Confident79.4Confident133 Ų133120.8 Ų120.850%0.50257%0.57SS.*Hα-helixtrans-65.7-47.9173.8-72.9177-171.8-165.74.2110.2E281 Q282 Q283 M287 R288 E289E281-R285 WeakPolarHBondContact O-CG 3.43Å; E281-R285 PolarHBondContact O-N 3.34Å; E281-R285 IonicContact OE1-CZ 3.45Å; E281-R285 IonicContact OE1-NE 3.36Å; E281-R285 PolarHBondContact OE1-NE 3.43Å; E281-R285 IonicContact OE1-NH2 2.73Å; E281-R285 PolarHBondContact OE1-NH2 3.48Å; Q282-R285 PolarHBondContact O-N 2.98Å; Q283-R285 PolarHBondContact O-N 2.71Å; R285-M287 PolarHBondContact O-N 3.1Å; R285-R288 WeakPolarHBondContact O-CB 3.32Å; R285-R288 PolarHBondContact O-N 3.28Å; R285-E289 PolarHBondContact O-N 3.45Å
286L86.2Confident77.7Confident96 Ų96119.5 Ų119.550%0.50357%0.565SS.*Hα-helixtrans-60-45176.7-17666000112.4Q282 Q283 R288 E289 L290Q282-L286 PolarHBondContact O-N 2.96Å; Q283-L286 PolarHBondContact O-N 3.43Å; L286-R288 VanDerWaalsContact C-N 3.28Å; L286-R288 PolarHBondContact O-N 3.12Å; L286-E289 PolarHBondContact O-N 3.42Å; L286-L290 HydrophobicContact CD1-CD1 4.16Å; L286-L290 HydrophobicContact CD1-CG 4.34Å; L286-L290 HydrophobicContact CG-CD1 3.97Å; L286-L290 HydrophobicContact CG-CG 4.49Å; L286-L290 WeakPolarHBondContact O-CG 3.48Å; L286-L290 PolarHBondContact O-N 3.08Å
287M77.1Confident76.2Confident61 Ų61120.4 Ų120.430%0.357%0.568SS.*Hα-helixtrans-60.7-36.6176.9-73.3-67.1-70.100112.7Q283 R285 Q291 I292Q283-M287 WeakPolarHBondContact O-CG 3.41Å; Q283-M287 PolarHBondContact O-N 2.95Å; R285-M287 PolarHBondContact O-N 3.1Å; M287-Q291 PolarHBondContact O-N 3.1Å; M287-I292 HydrophobicContact CE-CB 3.76Å; M287-I292 HydrophobicContact CE-CD1 4.47Å; M287-I292 HydrophobicContact CE-CG2 3.62Å; M287-I292 PolarHBondContact O-N 3.38Å; M287-I292 HydrophobicContact SD-CB 4.42Å; M287-I292 HydrophobicContact SD-CD1 4.22Å
288R79.6Confident74.8Confident172 Ų172116.6 Ų116.665%0.64956%0.556SS**Hα-helixtrans-68.3-42.2173.9-79.2-174.9-73.7-179.9-2.1112.5R284 R285 L286 L290 Q291R284-R288 WeakPolarHBondContact O-CG 3.33Å; R284-R288 PolarHBondContact O-N 3.46Å; R284-R288 PolarHBondContact O-NE 2.88Å; R285-R288 WeakPolarHBondContact O-CB 3.32Å; R285-R288 PolarHBondContact O-N 3.28Å; L286-R288 VanDerWaalsContact C-N 3.28Å; L286-R288 PolarHBondContact O-N 3.12Å; R288-L290 VanDerWaalsContact C-N 3.32Å; R288-L290 PolarHBondContact O-N 3.12Å; R288-Q291 PolarHBondContact O-N 3.29Å
289E79.8Confident73.7Confident154 Ų154115.3 Ų115.372%0.7257%0.565SS**Hα-helixtrans-63.3-37.8176.6-75.1177-175.100112.2R285 L286 Q291R285-E289 PolarHBondContact O-N 3.45Å; L286-E289 PolarHBondContact O-N 3.42Å; E289-Q291 PolarHBondContact O-N 2.86Å
290L76.4Confident73Confident103 Ų103112.1 Ų112.154%0.53956%0.556SS.*THydrogen-bonded Turntrans-78.30.7178.3-66.1173.8000114.1L286 R288 I292L286-L290 HydrophobicContact CD1-CD1 4.16Å; L286-L290 HydrophobicContact CD1-CG 4.34Å; L286-L290 HydrophobicContact CG-CD1 3.97Å; L286-L290 HydrophobicContact CG-CG 4.49Å; L286-L290 WeakPolarHBondContact O-CG 3.48Å; L286-L290 PolarHBondContact O-N 3.08Å; R288-L290 VanDerWaalsContact C-N 3.32Å; R288-L290 PolarHBondContact O-N 3.12Å; L290-I292 HydrophobicContact CB-CD1 3.95Å; L290-I292 HydrophobicContact CB-CG1 3.92Å; L290-I292 HydrophobicContact CD1-CD1 4.22Å; L290-I292 PolarHBondContact O-N 3.47Å; L290-I292 VanDerWaalsContact O-N 3.09Å
291Q66.1Low72.8Confident176 Ų176108.2 Ų108.282%0.82254%0.54SS*.THydrogen-bonded Turntrans5129.8-176.7-61.7-174.4-36.200114.1M287 R288 E289 E293M287-Q291 PolarHBondContact O-N 3.1Å; R288-Q291 PolarHBondContact O-N 3.29Å; E289-Q291 PolarHBondContact O-N 2.86Å; Q291-E293 PolarHBondContact O-N 2.75Å; Q291-E293 VanDerWaalsContact O-N 3.12Å
292I60.8Low72.6Confident89 Ų89104 Ų10446%0.45652%0.521SS..  trans-83.791.8176.5-57.1173.2000107.3M287 L290 E294M287-I292 HydrophobicContact CE-CB 3.76Å; M287-I292 HydrophobicContact CE-CD1 4.47Å; M287-I292 HydrophobicContact CE-CG2 3.62Å; M287-I292 PolarHBondContact O-N 3.38Å; M287-I292 HydrophobicContact SD-CB 4.42Å; M287-I292 HydrophobicContact SD-CD1 4.22Å; L290-I292 HydrophobicContact CB-CD1 3.95Å; L290-I292 HydrophobicContact CB-CG1 3.92Å; L290-I292 HydrophobicContact CD1-CD1 4.22Å; L290-I292 PolarHBondContact O-N 3.47Å; L290-I292 VanDerWaalsContact O-N 3.09Å; I292-E294 PolarHBondContact O-N 3.09Å
293E58.9Low72.6Confident144 Ų144100.5 Ų100.567%0.67351%0.508SS*.  trans-63.5127.4167.3-72.4-175.1159.300109.3Q291 G295 S296Q291-E293 PolarHBondContact O-N 2.75Å; Q291-E293 VanDerWaalsContact O-N 3.12Å; E293-G295 PolarHBondContact O-N 3.38Å; E293-S296 PolarHBondContact O-N 3.36Å; E293-S296 PolarHBondContact O-OG 2.83Å
294E52.3Low72.7Confident197 Ų19798.7 Ų98.792%0.92150%0.504SS*.THydrogen-bonded Turntrans-63.217.5175.1-79.2-177.8150.600114I292I292-E294 PolarHBondContact O-N 3.09Å
295G54.8Low72.8Confident57 Ų5792.4 Ų92.459%0.58849%0.486SS*.THydrogen-bonded Turntrans-151.89.9-179.500000115.7E293 F297E293-G295 PolarHBondContact O-N 3.38Å; G295-F297 PolarHBondContact O-N 3.41Å
296S53.5Low72.7Confident60 Ų6089.7 Ų89.742%0.4248%0.48SS..SBendtrans-73.2-6.6-176.660.10000114.7E293E293-S296 PolarHBondContact O-N 3.36Å; E293-S296 PolarHBondContact O-OG 2.83Å
297F56.2Low72.5Confident123 Ų12390 Ų9054%0.53949%0.491SS..SBendtrans-125.8104.8169.6-55.4-64.8000108.9G295 A299 L306G295-F297 PolarHBondContact O-N 3.41Å; F297-A299 PolarHBondContact O-N 3.19Å; F297-L306 HydrophobicContact CD1-CB 3.57Å; F297-L306 HydrophobicContact CD1-CD1 4.16Å; F297-L306 HydrophobicContact CD1-CD2 4.2Å; F297-L306 HydrophobicContact CD1-CG 4.19Å; F297-L306 HydrophobicContact CE1-CB 3.43Å; F297-L306 VanDerWaalsContact CE1-CB 3.43Å; F297-L306 HydrophobicContact CE1-CD1 3.69Å; F297-L306 HydrophobicContact CE1-CG 4.08Å; F297-L306 HydrophobicContact CZ-CB 4.48Å; F297-L306 HydrophobicContact CZ-CD1 3.97Å
298S61.6Low72.8Confident52 Ų5292.9 Ų92.936%0.36450%0.498SS..  trans-58.8143171.3670000108.5T300 S301S298-T300 WeakPolarHBondContact CB-OG1 3.09Å; S298-T300 PolarHBondContact O-N 3.28Å; S298-T300 PolarHBondContact OG-OG1 3.47Å; S298-S301 WeakPolarHBondContact O-CB 3.49Å; S298-S301 PolarHBondContact O-N 3.42Å; S298-S301 PolarHBondContact OG-N 3.41Å; S298-S301 PolarHBondContact OG-OG 2.84Å
299A67.4Low73.2Confident89 Ų8989.9 Ų89.974%0.73649%0.492SS*.THydrogen-bonded Turntrans-58.3-12.117500000112.5F297 R310F297-A299 PolarHBondContact O-N 3.19Å; A299-R310 PolarHBondContact O-NH1 3.41Å; A299-R310 PolarHBondContact O-NH2 2.91Å
300T76.3Confident73.7Confident59 Ų5986 Ų8636%0.36247%0.47SS..THydrogen-bonded Turntrans-92.5-6.117558.60000113.9S298 E309 R310S298-T300 WeakPolarHBondContact CB-OG1 3.09Å; S298-T300 PolarHBondContact O-N 3.28Å; S298-T300 PolarHBondContact OG-OG1 3.47Å; T300-E309 CarbonylContact O-C 3.51Å; T300-E309 WeakPolarHBondContact O-CA 3.49Å; T300-E309 PolarHBondContact OG1-OE1 3.42Å; T300-E309 VanDerWaalsContact OG1-OE1 3.08Å; T300-R310 WeakPolarHBondContact O-CD 3.5Å; T300-R310 VanDerWaalsContact O-CG 3.25Å; T300-R310 WeakPolarHBondContact O-CG 3.45Å; T300-R310 PolarHBondContact O-N 2.77Å
301S86.2Confident74.3Confident12 Ų1283.1 Ų83.18%0.08446%0.459CS..BIsolated β-bridgetrans-69.7140.4179.4-75.70000113.3S298 V303 R310S298-S301 WeakPolarHBondContact O-CB 3.49Å; S298-S301 PolarHBondContact O-N 3.42Å; S298-S301 PolarHBondContact OG-N 3.41Å; S298-S301 PolarHBondContact OG-OG 2.84Å; S301-V303 PolarHBondContact O-N 2.94Å; S301-R310 PolarHBondContact O-NE 3.1Å; S301-R310 PolarHBondContact O-NH2 3.48Å; S301-R310 VanDerWaalsContact O-NH2 3.12Å
302C86.6Confident75.4Confident0 Ų075.4 Ų75.40%042%0.423CS..  trans-53.8125.3173.3172.50000110.5V304 L306 R308 C321 C323C302-V304 PolarHBondContact O-N 2.94Å; C302-V304 VanDerWaalsContact O-N 3.09Å; C302-V304 PolarHBondContact SG-N 3.06Å; C302-L306 WeakPolarHBondContact O-CA 3.32Å; C302-L306 PolarHBondContact O-N 3.47Å; C302-R308 WeakPolarHBondContact CB-O 3.14Å; C302-R308 PolarHBondContact N-O 3.44Å; C302-C321 WeakPolarHBondContact CA-O 3.46Å; C302-C323 HydrophobicContact CB-CB 4.01Å; C302-C323 PolarHBondContact SG-N 2.89Å
303V88Confident76.9Confident56 Ų5672.6 Ų72.634%0.33941%0.41SS..THydrogen-bonded Turntrans-67.9-12.3-177.5-52.40000113.5S301 C321 P337S301-V303 PolarHBondContact O-N 2.94Å; V303-C321 HydrophobicContact CG1-CB 4.13Å; V303-C321 HydrophobicContact CG2-CB 3.96Å; V303-C321 WeakPolarHBondContact CG2-O 3.4Å; V303-C321 PolarHBondContact N-O 2.93Å; V303-P337 HydrophobicContact CG2-CB 3.94Å; V303-P337 HydrophobicContact CG2-CG 4.47Å
304V87.6Confident78.5Confident72 Ų7265.8 Ų65.844%0.43638%0.378SS..THydrogen-bonded Turntrans-90.5-55.5-177.5-177.40000111.5C302 C326 P337C302-V304 PolarHBondContact O-N 2.94Å; C302-V304 VanDerWaalsContact O-N 3.09Å; C302-V304 PolarHBondContact SG-N 3.06Å; V304-C326 HydrophobicContact CB-CB 3.89Å; V304-C326 HydrophobicContact CG1-CB 4.03Å; V304-C326 HydrophobicContact CG2-CB 4.29Å; V304-P337 HydrophobicContact CG2-CG 3.95Å
305C86.3Confident80.1Confident36 Ų3658.7 Ų58.724%0.24335%0.346CS..THydrogen-bonded Turntrans-98.8-17-17868.90000113.5S307 C326C305-S307 PolarHBondContact O-N 3.35Å; C305-S307 PolarHBondContact O-OG 3.32Å; C305-C326 VanDerWaalsContact CB-SG 3.54Å; C305-C326 VanDerWaalsContact SG-SG 3.64Å
306L84.2Confident81.5Confident75 Ų7563.4 Ų63.439%0.39335%0.353SS..SBendtrans57.7-0.5-176.3-58.4173.1000115.8F297 C302F297-L306 HydrophobicContact CD1-CB 3.57Å; F297-L306 HydrophobicContact CD1-CD1 4.16Å; F297-L306 HydrophobicContact CD1-CD2 4.2Å; F297-L306 HydrophobicContact CD1-CG 4.19Å; F297-L306 HydrophobicContact CE1-CB 3.43Å; F297-L306 VanDerWaalsContact CE1-CB 3.43Å; F297-L306 HydrophobicContact CE1-CD1 3.69Å; F297-L306 HydrophobicContact CE1-CG 4.08Å; F297-L306 HydrophobicContact CZ-CB 4.48Å; F297-L306 HydrophobicContact CZ-CD1 3.97Å; C302-L306 WeakPolarHBondContact O-CA 3.32Å; C302-L306 PolarHBondContact O-N 3.47Å
307S82.7Confident83.2Confident103 Ų10362 Ų6272%0.7234%0.343SS*.SBendtrans-99.6-28.5-177.2-23.10000114.9C305C305-S307 PolarHBondContact O-N 3.35Å; C305-S307 PolarHBondContact O-OG 3.32Å
308R84.5Confident84.7Confident122 Ų12258.5 Ų58.546%0.4634%0.342SS..SBendtrans-113.8151.6-176.8-72.2179.9-72.4-131.2-6.3110C302 C323C302-R308 WeakPolarHBondContact CB-O 3.14Å; C302-R308 PolarHBondContact N-O 3.44Å; R308-C323 HydrophobicContact CB-CB 3.95Å; R308-C323 PolarHBondContact NE-SG 3.12Å; R308-C323 VanDerWaalsContact NE-SG 3.36Å
309E87.3Confident86.2Confident109 Ų10958.9 Ų58.951%0.50934%0.338SS..BIsolated β-bridgetrans-68.9154.7175.3-59.6-161.5139.600112.6T300 S311 C323T300-E309 CarbonylContact O-C 3.51Å; T300-E309 WeakPolarHBondContact O-CA 3.49Å; T300-E309 PolarHBondContact OG1-OE1 3.42Å; T300-E309 VanDerWaalsContact OG1-OE1 3.08Å; E309-S311 PolarHBondContact O-N 3.33Å; E309-C323 VanDerWaalsContact O-CB 3.25Å; E309-C323 WeakPolarHBondContact O-CB 3.11Å
310R90Very high87.4Confident71 Ų7157 Ų5727%0.26832%0.317SS..  trans-70.7124.2176.1-60.6152.7-179.2174.622108.9A299 T300 S301 V320A299-R310 PolarHBondContact O-NH1 3.41Å; A299-R310 PolarHBondContact O-NH2 2.91Å; T300-R310 WeakPolarHBondContact O-CD 3.5Å; T300-R310 VanDerWaalsContact O-CG 3.25Å; T300-R310 WeakPolarHBondContact O-CG 3.45Å; T300-R310 PolarHBondContact O-N 2.77Å; S301-R310 PolarHBondContact O-NE 3.1Å; S301-R310 PolarHBondContact O-NH2 3.48Å; S301-R310 VanDerWaalsContact O-NH2 3.12Å; R310-V320 HydrophobicContact CB-CG1 3.91Å; R310-V320 VanDerWaalsContact CD-O 3.26Å; R310-V320 WeakPolarHBondContact CD-O 3.28Å
311S88.8Confident88Confident44 Ų4454.2 Ų54.231%0.30830%0.3SS..  trans-125.75-174.869.10000113E309 A322 G324 P348 L349E309-S311 PolarHBondContact O-N 3.33Å; S311-A322 PolarHBondContact N-O 3.48Å; S311-G324 PolarHBondContact OG-N 2.92Å; S311-G324 VanDerWaalsContact OG-N 3.15Å; S311-P348 WeakPolarHBondContact O-CA 3.39Å; S311-L349 PolarHBondContact O-N 3.25Å
312L88.6Confident88.2Confident14 Ų1453.6 Ų53.67%0.07330%0.296CS..EExtended strand (participates in β ladder)trans-132.9136.9-176.1-65.3176.8000111.6F314 A322 F327 V346L312-F314 HydrophobicContact CB-CE1 4.13Å; L312-F314 HydrophobicContact CD1-CE1 4.38Å; L312-A322 PolarHBondContact N-O 3.48Å; L312-F327 HydrophobicContact CD1-CB 3.38Å; L312-F327 HydrophobicContact CD1-CD1 3.85Å; L312-F327 HydrophobicContact CD1-CG 3.68Å; L312-V346 HydrophobicContact CD2-CG2 4.47Å
313V92.1Very high88.4Confident30 Ų3053.8 Ų53.818%0.18230%0.297CS..EExtended strand (participates in β ladder)trans-100.4127165.8-168.90000108.7V320 V346 V347 L349V313-V320 HydrophobicContact CB-CG2 4.33Å; V313-V320 HydrophobicContact CG1-CG2 4.15Å; V313-V320 HydrophobicContact CG2-CG2 3.84Å; V313-V346 WeakPolarHBondContact O-CA 3.38Å; V313-V347 PolarHBondContact N-O 2.94Å; V313-V347 PolarHBondContact O-N 2.97Å; V313-L349 HydrophobicContact CG2-CB 4.14Å; V313-L349 HydrophobicContact CG2-CD1 3.4Å; V313-L349 HydrophobicContact CG2-CG 4.39Å
314F92.9Very high88.5Confident0 Ų051.9 Ų51.90%029%0.289CS..EExtended strand (participates in β ladder)trans-87.4119173.8-60.2-20.8000109.9L312 G318 H319 C321 A322 F327 C336 I343 V346L312-F314 HydrophobicContact CB-CE1 4.13Å; L312-F314 HydrophobicContact CD1-CE1 4.38Å; F314-G318 VanDerWaalsContact O-CA 3.27Å; F314-G318 WeakPolarHBondContact O-CA 3.43Å; F314-G318 PolarHBondContact O-N 2.87Å; F314-H319 PolarHBondContact N-O 3.32Å; F314-H319 VanDerWaalsContact N-O 3.14Å; F314-C321 VanDerWaalsContact CE2-SG 3.54Å; F314-A322 HydrophobicContact CE1-CB 4.43Å; F314-A322 HydrophobicContact CE2-CB 4.35Å; F314-A322 HydrophobicContact CZ-CB 3.64Å; F314-F327 HydrophobicContact CD1-CD2 4.43Å; F314-F327 HydrophobicContact CE1-CB 4.36Å; F314-F327 AromaticContact CE1-CD2 3.52Å; F314-F327 HydrophobicContact CE1-CD2 3.52Å; F314-F327 HydrophobicContact CE1-CE2 4.14Å; F314-F327 HydrophobicContact CE1-CG 4.14Å; F314-F327 HydrophobicContact CZ-CB 4.47Å; F314-F327 AromaticContact CZ-CD2 3.82Å; F314-F327 HydrophobicContact CZ-CD2 3.82Å; F314-C336 HydrophobicContact CD2-CB 4.08Å; F314-I343 HydrophobicContact CB-CG1 4.31Å; F314-I343 HydrophobicContact CB-CG2 4.16Å; F314-I343 HydrophobicContact CD1-CD1 4.14Å; F314-I343 HydrophobicContact CD1-CG2 4.07Å; F314-I343 HydrophobicContact CD2-CD1 3.5Å; F314-I343 HydrophobicContact CD2-CG1 3.99Å; F314-I343 HydrophobicContact CE1-CD1 4.11Å; F314-I343 HydrophobicContact CE2-CD1 3.46Å; F314-I343 VanDerWaalsContact CE2-CD1 3.46Å; F314-I343 HydrophobicContact CE2-CG1 4.44Å; F314-I343 HydrophobicContact CG-CD1 3.84Å; F314-I343 HydrophobicContact CG-CG1 4.08Å; F314-I343 HydrophobicContact CG-CG2 4.12Å; F314-I343 HydrophobicContact CZ-CD1 3.76Å; F314-V346 HydrophobicContact CD1-CB 4.39Å; F314-V346 HydrophobicContact CD1-CG1 3.52Å; F314-V346 HydrophobicContact CE1-CG1 3.91Å
315L85.6Confident88.8Confident48 Ų4851.3 Ų51.325%0.25129%0.286SS..THydrogen-bonded Turntrans-72.3162.3178.5-62.2-178000110.5C317 R345 V347L315-C317 PolarHBondContact O-N 3.45Å; L315-R345 HydrophobicContact CB-CB 4.08Å; L315-R345 WeakPolarHBondContact CB-O 3.44Å; L315-R345 HydrophobicContact CD1-CB 3.71Å; L315-R345 HydrophobicContact CG-CB 4.27Å; L315-R345 PolarHBondContact N-O 2.98Å; L315-V347 HydrophobicContact CD1-CG2 3.7Å; L315-V347 HydrophobicContact CD2-CG2 4.07Å; L315-V347 HydrophobicContact CG-CG2 4Å
316E85.1Confident89Confident156 Ų15650.1 Ų50.173%0.72928%0.278SS*.THydrogen-bonded Turntrans70.4-38.1-166.7-47.8-49.1127.200115.8
317C90.1Very high89.4Confident31 Ų3147.9 Ų47.921%0.20927%0.266CS..THydrogen-bonded Turntrans-108.3-17.5177.3710000115.5L315 H319 C339 A341L315-C317 PolarHBondContact O-N 3.45Å; C317-H319 VanDerWaalsContact C-N 3.26Å; C317-H319 PolarHBondContact O-N 3.27Å; C317-C339 VanDerWaalsContact CB-SG 3.58Å; C317-A341 HydrophobicContact CB-CB 3.95Å
318G87.7Confident89.7Confident49 Ų4950.1 Ų50.151%0.50526%0.264SS..  trans73.31.8174.600000116.3F314F314-G318 VanDerWaalsContact O-CA 3.27Å; F314-G318 WeakPolarHBondContact O-CA 3.43Å; F314-G318 PolarHBondContact O-N 2.87Å
319H92.3Very high90Very high61 Ų6148.2 Ų48.228%0.28228%0.275SS..  trans-73.2131.1-177.6-72.3107.2000112.4F314 C317 I338 C339F314-H319 PolarHBondContact N-O 3.32Å; F314-H319 VanDerWaalsContact N-O 3.14Å; C317-H319 VanDerWaalsContact C-N 3.26Å; C317-H319 PolarHBondContact O-N 3.27Å; H319-I338 HydrophobicContact CB-CD1 4.33Å; H319-C339 PolarHBondContact ND1-SG 3.5Å
320V91.6Very high90Very high49 Ų4944.9 Ų44.930%0.29726%0.26SS..EExtended strand (participates in β ladder)trans-102.991.2170.9-170.60000107.3R310 V313 L349R310-V320 HydrophobicContact CB-CG1 3.91Å; R310-V320 VanDerWaalsContact CD-O 3.26Å; R310-V320 WeakPolarHBondContact CD-O 3.28Å; V313-V320 HydrophobicContact CB-CG2 4.33Å; V313-V320 HydrophobicContact CG1-CG2 4.15Å; V313-V320 HydrophobicContact CG2-CG2 3.84Å; V320-L349 HydrophobicContact CG1-CD1 4.39Å; V320-L349 HydrophobicContact CG1-CD2 4.32Å; V320-L349 HydrophobicContact CG2-CD1 4.35Å
321C88.9Confident89.9Confident0 Ų049.9 Ų49.90%029%0.287CS..EExtended strand (participates in β ladder)trans-136.3-15.5-169.1670000115.5C302 V303 F314 I338C302-C321 WeakPolarHBondContact CA-O 3.46Å; V303-C321 HydrophobicContact CG1-CB 4.13Å; V303-C321 HydrophobicContact CG2-CB 3.96Å; V303-C321 WeakPolarHBondContact CG2-O 3.4Å; V303-C321 PolarHBondContact N-O 2.93Å; F314-C321 VanDerWaalsContact CE2-SG 3.54Å; C321-I338 HydrophobicContact CB-CD1 3.37Å; C321-I338 HydrophobicContact CB-CG1 3.79Å
322A90.5Very high89.7Confident0 Ų056.1 Ų56.10%031%0.311CS..EExtended strand (participates in β ladder)trans-122.6153-177.700000112.9S311 L312 F314S311-A322 PolarHBondContact N-O 3.48Å; L312-A322 PolarHBondContact N-O 3.48Å; F314-A322 HydrophobicContact CE1-CB 4.43Å; F314-A322 HydrophobicContact CE2-CB 4.35Å; F314-A322 HydrophobicContact CZ-CB 3.64Å
323C91.9Very high89.7Confident3 Ų360 Ų602%0.0234%0.337CS..  trans-85.3160.1163.870.70000110.5C302 R308 E309 C326 F327C302-C323 HydrophobicContact CB-CB 4.01Å; C302-C323 PolarHBondContact SG-N 2.89Å; R308-C323 HydrophobicContact CB-CB 3.95Å; R308-C323 PolarHBondContact NE-SG 3.12Å; R308-C323 VanDerWaalsContact NE-SG 3.36Å; E309-C323 VanDerWaalsContact O-CB 3.25Å; E309-C323 WeakPolarHBondContact O-CB 3.11Å; C323-C326 PolarHBondContact O-N 2.89Å; C323-C326 VanDerWaalsContact O-N 3.12Å; C323-C326 PolarHBondContact SG-SG 3.35Å; C323-F327 PolarHBondContact O-N 3.18Å; C323-F327 VanDerWaalsContact O-N 3.08Å
324G89.9Confident89.5Confident17 Ų1760.8 Ų60.818%0.17534%0.338CS..Hα-helixtrans-44.4-57.3178.800000114.7S311 C326 F327 E328S311-G324 PolarHBondContact OG-N 2.92Å; S311-G324 VanDerWaalsContact OG-N 3.15Å; G324-C326 VanDerWaalsContact C-N 3.3Å; G324-C326 PolarHBondContact O-N 3.09Å; G324-F327 WeakPolarHBondContact O-CB 3.32Å; G324-F327 PolarHBondContact O-N 3.43Å; G324-F327 VanDerWaalsContact O-N 3.12Å; G324-E328 PolarHBondContact O-N 3.35Å; G324-E328 VanDerWaalsContact O-N 3.1Å
325P92.8Very high89.5Confident60 Ų6066.2 Ų66.239%0.3936%0.362SS..Hα-helixtrans-63.9-32.9-177.6-24.234000113.7E328 A329P325-E328 PolarHBondContact O-N 3.18Å; P325-A329 WeakPolarHBondContact O-CB 3.39Å; P325-A329 PolarHBondContact O-N 3.38Å; P325-A329 VanDerWaalsContact O-N 3.1Å
326C92.4Very high89.8Confident11 Ų1164 Ų647%0.07435%0.35CS..Hα-helixtrans-71.4-32.6177.3-73.60000112.2V304 C305 C323 G324 L330V304-C326 HydrophobicContact CB-CB 3.89Å; V304-C326 HydrophobicContact CG1-CB 4.03Å; V304-C326 HydrophobicContact CG2-CB 4.29Å; C305-C326 VanDerWaalsContact CB-SG 3.54Å; C305-C326 VanDerWaalsContact SG-SG 3.64Å; C323-C326 PolarHBondContact O-N 2.89Å; C323-C326 VanDerWaalsContact O-N 3.12Å; C323-C326 PolarHBondContact SG-SG 3.35Å; G324-C326 VanDerWaalsContact C-N 3.3Å; G324-C326 PolarHBondContact O-N 3.09Å; C326-L330 WeakPolarHBondContact O-CG 3.29Å; C326-L330 PolarHBondContact O-N 2.93Å
327F91.1Very high90Very high28 Ų2859.2 Ų59.212%0.12333%0.332CS..Hα-helixtrans-70.1-36.6173.7167.7-102000112.4L312 F314 C323 G324 A329 L330 K334 I343 V346L312-F327 HydrophobicContact CD1-CB 3.38Å; L312-F327 HydrophobicContact CD1-CD1 3.85Å; L312-F327 HydrophobicContact CD1-CG 3.68Å; F314-F327 HydrophobicContact CD1-CD2 4.43Å; F314-F327 HydrophobicContact CE1-CB 4.36Å; F314-F327 AromaticContact CE1-CD2 3.52Å; F314-F327 HydrophobicContact CE1-CD2 3.52Å; F314-F327 HydrophobicContact CE1-CE2 4.14Å; F314-F327 HydrophobicContact CE1-CG 4.14Å; F314-F327 HydrophobicContact CZ-CB 4.47Å; F314-F327 AromaticContact CZ-CD2 3.82Å; F314-F327 HydrophobicContact CZ-CD2 3.82Å; C323-F327 PolarHBondContact O-N 3.18Å; C323-F327 VanDerWaalsContact O-N 3.08Å; G324-F327 WeakPolarHBondContact O-CB 3.32Å; G324-F327 PolarHBondContact O-N 3.43Å; G324-F327 VanDerWaalsContact O-N 3.12Å; F327-A329 VanDerWaalsContact C-N 3.32Å; F327-L330 HydrophobicContact CD2-CD1 4.03Å; F327-L330 WeakPolarHBondContact O-CB 3.45Å; F327-L330 PolarHBondContact O-N 3.37Å; F327-K334 HydrophobicContact CD2-CD 4.16Å; F327-K334 HydrophobicContact CE1-CD 4.22Å; F327-K334 HydrophobicContact CE2-CB 4.41Å; F327-K334 HydrophobicContact CE2-CD 3.44Å; F327-K334 VanDerWaalsContact CE2-CD 3.44Å; F327-K334 HydrophobicContact CZ-CD 3.49Å; F327-K334 VanDerWaalsContact CZ-CD 3.49Å; F327-K334 PolarHBondContact O-NZ 3.25Å; F327-K334 VanDerWaalsContact O-NZ 3.1Å; F327-I343 HydrophobicContact CD2-CD1 4.28Å; F327-I343 HydrophobicContact CE2-CB 4.39Å; F327-I343 HydrophobicContact CE2-CD1 4.1Å; F327-I343 HydrophobicContact CE2-CG2 3.84Å; F327-I343 HydrophobicContact CZ-CG2 4.46Å; F327-V346 HydrophobicContact CD1-CG2 4.37Å; F327-V346 HydrophobicContact CD2-CG1 4.05Å; F327-V346 HydrophobicContact CE1-CG1 4Å; F327-V346 HydrophobicContact CE1-CG2 3.76Å; F327-V346 HydrophobicContact CE2-CG1 3.45Å; F327-V346 VanDerWaalsContact CE2-CG1 3.45Å; F327-V346 HydrophobicContact CZ-CB 4.35Å; F327-V346 HydrophobicContact CZ-CG1 3.42Å; F327-V346 VanDerWaalsContact CZ-CG1 3.42Å; F327-V346 HydrophobicContact CZ-CG2 3.95Å
328E90.4Very high90.1Very high149 Ų14962 Ų6270%0.69634%0.344SS*.Hα-helixtrans-65.2-37.9174.3-73.1176.4-175.700111.8G324 P325 L330G324-E328 PolarHBondContact O-N 3.35Å; G324-E328 VanDerWaalsContact O-N 3.1Å; P325-E328 PolarHBondContact O-N 3.18Å; E328-L330 PolarHBondContact O-N 3.49Å
329A90.1Very high90.3Very high82 Ų8262.3 Ų62.368%0.67834%0.339SS*.THydrogen-bonded Turntrans-74.8-5177.700000114.7P325 F327 Q331P325-A329 WeakPolarHBondContact O-CB 3.39Å; P325-A329 PolarHBondContact O-N 3.38Å; P325-A329 VanDerWaalsContact O-N 3.1Å; F327-A329 VanDerWaalsContact C-N 3.32Å; A329-Q331 PolarHBondContact O-N 2.9Å
330L87.7Confident90.2Very high39 Ų3969.2 Ų69.220%0.20436%0.362CS..SBendtrans-68.2133.5175.9-68.8176.3000110.5C326 F327 E328 K334 I343C326-L330 WeakPolarHBondContact O-CG 3.29Å; C326-L330 PolarHBondContact O-N 2.93Å; F327-L330 HydrophobicContact CD2-CD1 4.03Å; F327-L330 WeakPolarHBondContact O-CB 3.45Å; F327-L330 PolarHBondContact O-N 3.37Å; E328-L330 PolarHBondContact O-N 3.49Å; L330-K334 HydrophobicContact CB-CG 4.23Å; L330-I343 HydrophobicContact CD1-CD1 4.11Å
331Q86.5Confident90.2Very high177 Ų17768.7 Ų68.783%0.82736%0.363SS*.PPolyproline II helixtrans-63.4144175.8-67.7-179.6-1.500111.3A329 P333 K334A329-Q331 PolarHBondContact O-N 2.9Å; Q331-P333 CarbonylContact O-C 3.22Å; Q331-K334 PolarHBondContact O-N 3.19Å
332E86.4Confident90.3Very high174 Ų17472.2 Ų72.281%0.81338%0.384SS*.SBendtrans-78.6137.8173.5-68.1-166169.800111.5
333P87.4Confident90.3Very high96 Ų9672.9 Ų72.962%0.62339%0.388SS*.SBendcis-74.8136.8-3.530.2-34.4000112.5Q331 K335Q331-P333 CarbonylContact O-C 3.22Å; P333-K335 PolarHBondContact O-N 3.44Å
334K88.4Confident90Very high47 Ų4778.5 Ų78.520%0.20442%0.417CS..PPolyproline II helixtrans-65.7128.7-174.6-61.3-169.2-179.8-165.40111.5F327 L330 Q331 I343F327-K334 HydrophobicContact CD2-CD 4.16Å; F327-K334 HydrophobicContact CE1-CD 4.22Å; F327-K334 HydrophobicContact CE2-CB 4.41Å; F327-K334 HydrophobicContact CE2-CD 3.44Å; F327-K334 VanDerWaalsContact CE2-CD 3.44Å; F327-K334 HydrophobicContact CZ-CD 3.49Å; F327-K334 VanDerWaalsContact CZ-CD 3.49Å; F327-K334 PolarHBondContact O-NZ 3.25Å; F327-K334 VanDerWaalsContact O-NZ 3.1Å; L330-K334 HydrophobicContact CB-CG 4.23Å; Q331-K334 PolarHBondContact O-N 3.19Å; K334-I343 HydrophobicContact CB-CB 4.27Å; K334-I343 HydrophobicContact CB-CD1 4.38Å; K334-I343 PolarHBondContact O-N 3.2Å
335K91.9Very high89.9Confident114 Ų11485.6 Ų85.650%0.49644%0.439SS..BIsolated β-bridgetrans-125.6145.2179.3-67.5-177.5-177.8-176.30112.2P333 P337 A341 I343P333-K335 PolarHBondContact O-N 3.44Å; K335-P337 WeakPolarHBondContact O-CD 3.44Å; K335-A341 CarbonylContact C-O 3.51Å; K335-A341 VanDerWaalsContact CA-O 3.28Å; K335-A341 WeakPolarHBondContact CA-O 3.42Å; K335-I343 VanDerWaalsContact C-CD1 3.48Å
336C91.9Very high89.8Confident1 Ų185 Ų851%0.00743%0.434CS..  trans-63126.2176.4178.10000110.8F314 I338 C339 R340 A341 I343F314-C336 HydrophobicContact CD2-CB 4.08Å; C336-I338 PolarHBondContact O-N 3.36Å; C336-I338 PolarHBondContact SG-N 2.73Å; C336-I338 VanDerWaalsContact SG-N 3.44Å; C336-C339 VanDerWaalsContact SG-SG 3.68Å; C336-R340 WeakPolarHBondContact O-CA 3.32Å; C336-R340 PolarHBondContact O-N 3.49Å; C336-A341 PolarHBondContact N-O 3.45Å; C336-I343 HydrophobicContact CB-CG1 4.45Å
337P90.6Very high89.7Confident55 Ų5587.5 Ų87.536%0.35745%0.449SS..THydrogen-bonded Turntrans-60.8-23.5176.9-26.735.8000114.8V303 V304 K335V303-P337 HydrophobicContact CG2-CB 3.94Å; V303-P337 HydrophobicContact CG2-CG 4.47Å; V304-P337 HydrophobicContact CG2-CG 3.95Å; K335-P337 WeakPolarHBondContact O-CD 3.44Å
338I91.2Very high89.6Confident89 Ų8989.7 Ų89.746%0.45647%0.466SS..THydrogen-bonded Turntrans-86.5-60.2-179.1-59.2-175.2000110.8H319 C321 C336H319-I338 HydrophobicContact CB-CD1 4.33Å; C321-I338 HydrophobicContact CB-CD1 3.37Å; C321-I338 HydrophobicContact CB-CG1 3.79Å; C336-I338 PolarHBondContact O-N 3.36Å; C336-I338 PolarHBondContact SG-N 2.73Å; C336-I338 VanDerWaalsContact SG-N 3.44Å
339C91.8Very high89.2Confident57 Ų5785.5 Ų85.539%0.38545%0.448SS..THydrogen-bonded Turntrans-105.9-3.3-171.767.60000114.8C317 H319 C336 A341C317-C339 VanDerWaalsContact CB-SG 3.58Å; H319-C339 PolarHBondContact ND1-SG 3.5Å; C336-C339 VanDerWaalsContact SG-SG 3.68Å; C339-A341 PolarHBondContact O-N 2.96Å; C339-A341 VanDerWaalsContact O-N 3.11Å
340R90.9Very high88.5Confident206 Ų20691.6 Ų91.678%0.77746%0.455SS*.  trans62.29.9-179.9-53.1-179179.1-179.2-1115.9C336C336-R340 WeakPolarHBondContact O-CA 3.32Å; C336-R340 PolarHBondContact O-N 3.49Å
341A91.1Very high87.3Confident38 Ų3894.6 Ų94.631%0.31447%0.471SS..  trans-61.4147.3170.300000111.2C317 K335 C336 C339C317-A341 HydrophobicContact CB-CB 3.95Å; K335-A341 CarbonylContact C-O 3.51Å; K335-A341 VanDerWaalsContact CA-O 3.28Å; K335-A341 WeakPolarHBondContact CA-O 3.42Å; C336-A341 PolarHBondContact N-O 3.45Å; C339-A341 PolarHBondContact O-N 2.96Å; C339-A341 VanDerWaalsContact O-N 3.11Å
342T91.3Very high85.5Confident73 Ų7395.3 Ų95.345%0.44850%0.496SS..BIsolated β-bridgetrans-65.2137.817443.40000110.3
343I90.6Very high85.5Confident14 Ų1491.4 Ų91.47%0.07248%0.48CS..  trans-103.4100.3-179.1-53.4165.5000108.3F314 F327 L330 K334 K335 C336 V346F314-I343 HydrophobicContact CB-CG1 4.31Å; F314-I343 HydrophobicContact CB-CG2 4.16Å; F314-I343 HydrophobicContact CD1-CD1 4.14Å; F314-I343 HydrophobicContact CD1-CG2 4.07Å; F314-I343 HydrophobicContact CD2-CD1 3.5Å; F314-I343 HydrophobicContact CD2-CG1 3.99Å; F314-I343 HydrophobicContact CE1-CD1 4.11Å; F314-I343 HydrophobicContact CE2-CD1 3.46Å; F314-I343 VanDerWaalsContact CE2-CD1 3.46Å; F314-I343 HydrophobicContact CE2-CG1 4.44Å; F314-I343 HydrophobicContact CG-CD1 3.84Å; F314-I343 HydrophobicContact CG-CG1 4.08Å; F314-I343 HydrophobicContact CG-CG2 4.12Å; F314-I343 HydrophobicContact CZ-CD1 3.76Å; F327-I343 HydrophobicContact CD2-CD1 4.28Å; F327-I343 HydrophobicContact CE2-CB 4.39Å; F327-I343 HydrophobicContact CE2-CD1 4.1Å; F327-I343 HydrophobicContact CE2-CG2 3.84Å; F327-I343 HydrophobicContact CZ-CG2 4.46Å; L330-I343 HydrophobicContact CD1-CD1 4.11Å; K334-I343 HydrophobicContact CB-CB 4.27Å; K334-I343 HydrophobicContact CB-CD1 4.38Å; K334-I343 PolarHBondContact O-N 3.2Å; K335-I343 VanDerWaalsContact C-CD1 3.48Å; C336-I343 HydrophobicContact CB-CG1 4.45Å; I343-V346 HydrophobicContact CG2-CG1 3.45Å; I343-V346 VanDerWaalsContact CG2-CG1 3.45Å
344D85.1Confident85.4Confident121 Ų12191.1 Ų91.165%0.64747%0.472SS*.  trans-86.6-30.9178.9-60.6-39.1000111.7
345R87.9Confident85.2Confident166 Ų16693.6 Ų93.663%0.62649%0.487SS*.  trans-145.1146.9-177.5-60174.261.8-173.8-1111.4L315L315-R345 HydrophobicContact CB-CB 4.08Å; L315-R345 WeakPolarHBondContact CB-O 3.44Å; L315-R345 HydrophobicContact CD1-CB 3.71Å; L315-R345 HydrophobicContact CG-CB 4.27Å; L315-R345 PolarHBondContact N-O 2.98Å
346V90.9Very high84.8Confident48 Ų4892.4 Ų92.429%0.29149%0.487SS..EExtended strand (participates in β ladder)trans-129.9148.1175.9-590000111L312 V313 F314 F327 I343L312-V346 HydrophobicContact CD2-CG2 4.47Å; V313-V346 WeakPolarHBondContact O-CA 3.38Å; F314-V346 HydrophobicContact CD1-CB 4.39Å; F314-V346 HydrophobicContact CD1-CG1 3.52Å; F314-V346 HydrophobicContact CE1-CG1 3.91Å; F327-V346 HydrophobicContact CD1-CG2 4.37Å; F327-V346 HydrophobicContact CD2-CG1 4.05Å; F327-V346 HydrophobicContact CE1-CG1 4Å; F327-V346 HydrophobicContact CE1-CG2 3.76Å; F327-V346 HydrophobicContact CE2-CG1 3.45Å; F327-V346 VanDerWaalsContact CE2-CG1 3.45Å; F327-V346 HydrophobicContact CZ-CB 4.35Å; F327-V346 HydrophobicContact CZ-CG1 3.42Å; F327-V346 VanDerWaalsContact CZ-CG1 3.42Å; F327-V346 HydrophobicContact CZ-CG2 3.95Å; I343-V346 HydrophobicContact CG2-CG1 3.45Å; I343-V346 VanDerWaalsContact CG2-CG1 3.45Å
347V90.3Very high84.3Confident64 Ų6498.1 Ų98.139%0.38852%0.517SS..EExtended strand (participates in β ladder)trans-124.9130.2176.4-178.30000109.2V313 L315 L349V313-V347 PolarHBondContact N-O 2.94Å; V313-V347 PolarHBondContact O-N 2.97Å; L315-V347 HydrophobicContact CD1-CG2 3.7Å; L315-V347 HydrophobicContact CD2-CG2 4.07Å; L315-V347 HydrophobicContact CG-CG2 4Å; V347-L349 PolarHBondContact O-N 3.33Å
348P88Confident83.9Confident73 Ų73100.9 Ų100.947%0.47453%0.527SS..EExtended strand (participates in β ladder)trans-61.6130.3172.1-19.531.6000111.2S311 Y350S311-P348 WeakPolarHBondContact O-CA 3.39Å; P348-Y350 HydrophobicContact CB-CE2 4.11Å
349L83.9Confident83.4Confident61 Ų61101.8 Ų101.832%0.31953%0.532SS..  trans-91.2115.4173.2-165.7109.7000108.2S311 V313 V320 V347 N351S311-L349 PolarHBondContact O-N 3.25Å; V313-L349 HydrophobicContact CG2-CB 4.14Å; V313-L349 HydrophobicContact CG2-CD1 3.4Å; V313-L349 HydrophobicContact CG2-CG 4.39Å; V320-L349 HydrophobicContact CG1-CD1 4.39Å; V320-L349 HydrophobicContact CG1-CD2 4.32Å; V320-L349 HydrophobicContact CG2-CD1 4.35Å; V347-L349 PolarHBondContact O-N 3.33Å; L349-N351 WeakPolarHBondContact CD2-OD1 3.49Å
350Y74.7Confident82.8Confident210 Ų210105.2 Ų105.282%0.82454%0.544SS*.  trans-91.5105.5171.7-69.4-86000108.3P348P348-Y350 HydrophobicContact CB-CE2 4.11Å
351N62.8Low82.1Confident103 Ų10396.8 Ų96.855%0.55152%0.524SS*.  trans-76.5122.1168.5-78.5-14.2000108.3L349L349-N351 WeakPolarHBondContact CD2-OD1 3.49Å
352S48.4Very low81.3Confident191 Ų191102.2 Ų102.2100%1.33654%0.543SS*.  trans-78.70172.954.30000112.3

Retrieved 352 of 352 residues in 368.6 ms (Link to these results)