A0A3Q0KNM5_SCHMA Loading...

Kelch-related proteins

AlphaFold DB , UniProt , Accession A0A3Q0KNM5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 706 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
1M44.9Very low54.7Low247 Ų247158.9 Ų158.9100%1.21776%0.762SS**  048.80-76.9-165.6-87.600110.8
2M46.6Very low56.8Low187 Ų187151.1 Ų151.192%0.92174%0.737SS**  trans-143.725.6-176.1-115-169.7-89.800112.3
3E47.5Very low59Low180 Ų180150.3 Ų150.384%0.84173%0.731SS**SBendtrans-122.70.3-177.3-92.7-175.5156.700114.9
4F52Low61Low191 Ų191148.4 Ų148.484%0.83872%0.72SS**SBendtrans-93.4-8.2-175.8-104.6-87.4000115.4
5E48.6Very low62.9Low183 Ų183145.7 Ų145.786%0.85571%0.709SS**THydrogen-bonded Turntrans-88.1-2.4-174.8-77.1178.9155.500114.9
6R49Very low64.4Low228 Ų228140.5 Ų140.586%0.8669%0.689SS**THydrogen-bonded Turntrans-95.35.3-179.1-81.9-172.3-177.4-179.21.3116.1
7L52.3Low65.9Low95 Ų95138.4 Ų138.450%0.49768%0.677SS.*SBendtrans-97.5-15.5-175-92.7137.2000115I11L7-I11 WeakPolarHBondContact O-CG1 3.46Å; L7-I11 PolarHBondContact O-N 2.99Å
8S56.3Low67.4Low87 Ų87133.9 Ų133.961%0.60866%0.659SS**Hα-helixtrans-69.9-37.2-172.756.90000114
9E58.1Low68.7Low154 Ų154129.4 Ų129.472%0.7264%0.64SS**Hα-helixtrans-68.6-38.5178.5-72.8-178164.900112.1I11 S12E9-I11 VanDerWaalsContact C-N 3.29Å; E9-I11 PolarHBondContact O-N 3.19Å; E9-S12 PolarHBondContact O-N 2.94Å; E9-S12 PolarHBondContact O-OG 3.44Å
10N68.4Low69.9Low102 Ų102130.5 Ų130.555%0.54564%0.636SS.*Hα-helixtrans-67-29.6179.2-70.4-18.4000113.1Q14N10-Q14 WeakPolarHBondContact O-CB 3.15Å; N10-Q14 PolarHBondContact O-N 3.43Å; N10-Q14 VanDerWaalsContact O-N 3.08Å
11I77.9Confident71Confident94 Ų94126.2 Ų126.248%0.48262%0.62SS.*Hα-helixtrans-67-40.6179.1-68.7165.9000110.4L7 E9 Q14 L15L7-I11 WeakPolarHBondContact O-CG1 3.46Å; L7-I11 PolarHBondContact O-N 2.99Å; E9-I11 VanDerWaalsContact C-N 3.29Å; E9-I11 PolarHBondContact O-N 3.19Å; I11-Q14 PolarHBondContact O-N 2.69Å; I11-L15 HydrophobicContact CG2-CD1 3.73Å; I11-L15 HydrophobicContact CG2-CG 4.21Å; I11-L15 WeakPolarHBondContact O-CB 3.14Å; I11-L15 WeakPolarHBondContact O-CG 3.3Å; I11-L15 PolarHBondContact O-N 3.49Å
12S80.6Confident73.4Confident65 Ų65117 Ų11746%0.45558%0.575SS.*Hα-helixtrans-65.5-45.3-178.870.60000111.3E9 L15 V16E9-S12 PolarHBondContact O-N 2.94Å; E9-S12 PolarHBondContact O-OG 3.44Å; S12-L15 PolarHBondContact O-N 3.44Å; S12-V16 WeakPolarHBondContact O-CB 3.39Å; S12-V16 WeakPolarHBondContact O-CG2 3.37Å; S12-V16 PolarHBondContact O-N 3.46Å
13E84.3Confident75.6Confident141 Ų141109 Ų10966%0.65954%0.535SS*.Hα-helixtrans-63.3-44.7177-68.8-169.6170.500112.2L15 V16 Q17E13-L15 PolarHBondContact O-N 3.48Å; E13-V16 PolarHBondContact O-N 3.42Å; E13-Q17 WeakPolarHBondContact O-CB 3.36Å; E13-Q17 PolarHBondContact O-N 3.01Å
14Q87.8Confident77.8Confident124 Ų124102.3 Ų102.358%0.57951%0.509SS*.Hα-helixtrans-63.3-41.5178.7-177.360.440.200111.8N10 I11 Q17 T18N10-Q14 WeakPolarHBondContact O-CB 3.15Å; N10-Q14 PolarHBondContact O-N 3.43Å; N10-Q14 VanDerWaalsContact O-N 3.08Å; I11-Q14 PolarHBondContact O-N 2.69Å; Q14-Q17 PolarHBondContact O-N 3.06Å; Q14-T18 PolarHBondContact NE2-OG1 3.41Å; Q14-T18 WeakPolarHBondContact O-CB 3.48Å; Q14-T18 PolarHBondContact O-N 2.89Å; Q14-T18 PolarHBondContact O-OG1 3.4Å
15L88.7Confident79.8Confident107 Ų10796.6 Ų96.656%0.5648%0.484SS*.Hα-helixtrans-63.7-46.6175.6-73.5173.6000111I11 S12 E13 Q17 T18 T19I11-L15 HydrophobicContact CG2-CD1 3.73Å; I11-L15 HydrophobicContact CG2-CG 4.21Å; I11-L15 WeakPolarHBondContact O-CB 3.14Å; I11-L15 WeakPolarHBondContact O-CG 3.3Å; I11-L15 PolarHBondContact O-N 3.49Å; S12-L15 PolarHBondContact O-N 3.44Å; E13-L15 PolarHBondContact O-N 3.48Å; L15-Q17 VanDerWaalsContact C-N 3.33Å; L15-Q17 PolarHBondContact O-N 2.92Å; L15-T18 PolarHBondContact O-N 3.37Å; L15-T19 WeakPolarHBondContact O-CG2 2.82Å; L15-T19 PolarHBondContact O-N 2.94Å; L15-T19 PolarHBondContact O-OG1 3.21Å; L15-T19 VanDerWaalsContact O-OG1 3.06Å
16V87.7Confident82Confident63 Ų6388.8 Ų88.838%0.38245%0.446SS..Hα-helixtrans-60.5-40.6177.3169.70000111.8S12 E13 T19 R20S12-V16 WeakPolarHBondContact O-CB 3.39Å; S12-V16 WeakPolarHBondContact O-CG2 3.37Å; S12-V16 PolarHBondContact O-N 3.46Å; E13-V16 PolarHBondContact O-N 3.42Å; V16-T19 WeakPolarHBondContact CA-OG1 3.31Å; V16-T19 PolarHBondContact O-OG1 3.38Å; V16-R20 WeakPolarHBondContact O-CB 3.46Å; V16-R20 VanDerWaalsContact O-CG 3.27Å; V16-R20 WeakPolarHBondContact O-CG 3.32Å; V16-R20 PolarHBondContact O-N 2.82Å; V16-R20 VanDerWaalsContact O-N 3.15Å
17Q90.5Very high84Confident104 Ų10483.3 Ų83.349%0.48643%0.434SS..Hα-helixtrans-68.4-39.2176.7-176.658.422.300111.8E13 Q14 L15 R20 S21E13-Q17 WeakPolarHBondContact O-CB 3.36Å; E13-Q17 PolarHBondContact O-N 3.01Å; Q14-Q17 PolarHBondContact O-N 3.06Å; L15-Q17 VanDerWaalsContact C-N 3.33Å; L15-Q17 PolarHBondContact O-N 2.92Å; Q17-R20 PolarHBondContact O-N 3.47Å; Q17-S21 PolarHBondContact O-N 2.96Å; Q17-S21 PolarHBondContact O-OG 3.26Å
18T92.4Very high86Confident59 Ų5987.3 Ų87.336%0.36244%0.443SS..Hα-helixtrans-65.1-46.3178.7-56.70000111.1Q14 L15 R20 S21 L22Q14-T18 PolarHBondContact NE2-OG1 3.41Å; Q14-T18 WeakPolarHBondContact O-CB 3.48Å; Q14-T18 PolarHBondContact O-N 2.89Å; Q14-T18 PolarHBondContact O-OG1 3.4Å; L15-T18 PolarHBondContact O-N 3.37Å; T18-R20 PolarHBondContact O-N 3.01Å; T18-S21 PolarHBondContact O-N 3.25Å; T18-L22 HydrophobicContact CG2-CD1 4.33Å; T18-L22 WeakPolarHBondContact O-CG 3.12Å; T18-L22 PolarHBondContact O-N 3.17Å
19T91.8Very high87.7Confident47 Ų4786.2 Ų86.229%0.28844%0.435SS..Hα-helixtrans-61.9-41.9177.2500000112.2L15 V16 S21 L22 Q23 Y91L15-T19 WeakPolarHBondContact O-CG2 2.82Å; L15-T19 PolarHBondContact O-N 2.94Å; L15-T19 PolarHBondContact O-OG1 3.21Å; L15-T19 VanDerWaalsContact O-OG1 3.06Å; V16-T19 WeakPolarHBondContact CA-OG1 3.31Å; V16-T19 PolarHBondContact O-OG1 3.38Å; T19-S21 VanDerWaalsContact C-N 3.34Å; T19-S21 PolarHBondContact O-N 3Å; T19-L22 PolarHBondContact O-N 3.24Å; T19-Q23 PolarHBondContact O-N 3Å; T19-Y91 WeakPolarHBondContact CB-O 3.36Å
20R92.1Very high89.4Confident152 Ų15282.3 Ų82.357%0.57442%0.419SS*.Hα-helixtrans-61.5-39.6173.1-73.6175-176.71622.4112.9V16 Q17 T18 Q23 S24V16-R20 WeakPolarHBondContact O-CB 3.46Å; V16-R20 VanDerWaalsContact O-CG 3.27Å; V16-R20 WeakPolarHBondContact O-CG 3.32Å; V16-R20 PolarHBondContact O-N 2.82Å; V16-R20 VanDerWaalsContact O-N 3.15Å; Q17-R20 PolarHBondContact O-N 3.47Å; T18-R20 PolarHBondContact O-N 3.01Å; R20-Q23 PolarHBondContact O-N 3.1Å; R20-S24 PolarHBondContact O-N 3.1Å
21S93.7Very high90.5Very high41 Ų4184.9 Ų84.929%0.28743%0.425SS..Hα-helixtrans-66.2-42.7175.4-68.30000112Q17 T18 T19 Q23 S24 F25Q17-S21 PolarHBondContact O-N 2.96Å; Q17-S21 PolarHBondContact O-OG 3.26Å; T18-S21 PolarHBondContact O-N 3.25Å; T19-S21 VanDerWaalsContact C-N 3.34Å; T19-S21 PolarHBondContact O-N 3Å; S21-Q23 VanDerWaalsContact C-N 3.34Å; S21-Q23 PolarHBondContact O-N 3.03Å; S21-S24 PolarHBondContact O-N 3.47Å; S21-F25 WeakPolarHBondContact O-CD1 3.22Å; S21-F25 WeakPolarHBondContact O-CG 3.45Å; S21-F25 PolarHBondContact O-N 3.15Å
22L94.4Very high91.2Very high53 Ų5382.4 Ų82.428%0.27741%0.414SS..Hα-helixtrans-61.4-40.1175-71.1171000112.3T18 T19 F25 R26 V49 Y91T18-L22 HydrophobicContact CG2-CD1 4.33Å; T18-L22 WeakPolarHBondContact O-CG 3.12Å; T18-L22 PolarHBondContact O-N 3.17Å; T19-L22 PolarHBondContact O-N 3.24Å; L22-F25 HydrophobicContact CD2-CD2 4.39Å; L22-F25 PolarHBondContact O-N 3.38Å; L22-R26 PolarHBondContact O-N 2.69Å; L22-V49 HydrophobicContact CD1-CG2 4.06Å; L22-V49 HydrophobicContact CD2-CG2 4.41Å; L22-Y91 HydrophobicContact CB-CD1 4.06Å; L22-Y91 HydrophobicContact CB-CE1 4.23Å
23Q92.8Very high91.8Very high19 Ų1982.8 Ų82.89%0.08941%0.411CS..Hα-helixtrans-63.6-45.1173.3-179.964.429.400111.3T19 R20 S21 F25 R26 D27 Y91 L92T19-Q23 PolarHBondContact O-N 3Å; R20-Q23 PolarHBondContact O-N 3.1Å; S21-Q23 VanDerWaalsContact C-N 3.34Å; S21-Q23 PolarHBondContact O-N 3.03Å; Q23-F25 PolarHBondContact O-N 3.18Å; Q23-R26 WeakPolarHBondContact O-CB 3.18Å; Q23-R26 PolarHBondContact O-N 3.33Å; Q23-R26 VanDerWaalsContact O-N 3.09Å; Q23-D27 PolarHBondContact NE2-OD1 3.23Å; Q23-D27 PolarHBondContact O-N 3.4Å; Q23-Y91 HydrophobicContact CB-CD1 4.46Å; Q23-L92 HydrophobicContact CB-CD2 3.65Å; Q23-L92 HydrophobicContact CB-CG 4.25Å; Q23-L92 HydrophobicContact CG-CD1 4.12Å; Q23-L92 HydrophobicContact CG-CD2 3.96Å; Q23-L92 HydrophobicContact CG-CG 4.16Å
24S93.9Very high92.2Very high40 Ų4076.1 Ų76.128%0.2838%0.38SS..Hα-helixtrans-61.7-33.3176.8-177.20000112.6R20 S21 R28R20-S24 PolarHBondContact O-N 3.1Å; S21-S24 PolarHBondContact O-N 3.47Å; S24-R28 WeakPolarHBondContact O-CG 3.37Å; S24-R28 PolarHBondContact O-N 2.94Å
25F95Very high92.5Very high71 Ų7172.3 Ų72.331%0.31136%0.363SS..Hα-helixtrans-67.5-42.9173.5-62.2-16.9000111.3S21 L22 Q23 R28 S29 L30 F31S21-F25 WeakPolarHBondContact O-CD1 3.22Å; S21-F25 WeakPolarHBondContact O-CG 3.45Å; S21-F25 PolarHBondContact O-N 3.15Å; L22-F25 HydrophobicContact CD2-CD2 4.39Å; L22-F25 PolarHBondContact O-N 3.38Å; Q23-F25 PolarHBondContact O-N 3.18Å; F25-R28 CarbonylContact O-C 3.53Å; F25-R28 PolarHBondContact O-N 3.32Å; F25-S29 PolarHBondContact O-N 2.95Å; F25-L30 HydrophobicContact CB-CB 4.2Å; F25-L30 HydrophobicContact CD1-CD1 4.34Å; F25-L30 PolarHBondContact O-N 3.47Å; F25-F31 HydrophobicContact CD2-CD2 4.03Å; F25-F31 HydrophobicContact CD2-CE2 4.37Å; F25-F31 HydrophobicContact CE2-CD2 4.41Å; F25-F31 HydrophobicContact CE2-CE2 4.37Å; F25-F31 HydrophobicContact CG-CD2 4.24Å
26R94.2Very high92.8Very high18 Ų1867.2 Ų67.27%0.06834%0.337CS..Hα-helixtrans-58.8-49175-179.8-176.9166.2-140.9-10111.7L22 Q23 R28 S29 P44 D88 Y91L22-R26 PolarHBondContact O-N 2.69Å; Q23-R26 WeakPolarHBondContact O-CB 3.18Å; Q23-R26 PolarHBondContact O-N 3.33Å; Q23-R26 VanDerWaalsContact O-N 3.09Å; R26-R28 PolarHBondContact O-N 3.08Å; R26-S29 PolarHBondContact O-N 3.46Å; R26-P44 WeakPolarHBondContact CG-O 3.22Å; R26-D88 IonicContact NH1-OD1 3.26Å; R26-D88 PolarHBondContact NH1-OD1 3.47Å; R26-Y91 HydrophobicContact CB-CD1 4.41Å; R26-Y91 HydrophobicContact CB-CE1 3.91Å; R26-Y91 HydrophobicContact CG-CE1 4.42Å
27D92Very high93Very high113 Ų11365 Ų6560%0.60432%0.324SS*.Hα-helixtrans-59.8-31.5-179.8-65.6-23.7000112.7Q23Q23-D27 PolarHBondContact NE2-OD1 3.23Å; Q23-D27 PolarHBondContact O-N 3.4Å
28R93.7Very high93Very high180 Ų18060 Ų6068%0.67930%0.301SS*.THydrogen-bonded Turntrans-94.72.7178.2-63.6178.4-174.8-1783.9113.6S24 F25 R26 L30S24-R28 WeakPolarHBondContact O-CG 3.37Å; S24-R28 PolarHBondContact O-N 2.94Å; F25-R28 CarbonylContact O-C 3.53Å; F25-R28 PolarHBondContact O-N 3.32Å; R26-R28 PolarHBondContact O-N 3.08Å; R28-L30 HydrophobicContact CB-CD1 3.99Å; R28-L30 HydrophobicContact CB-CG 3.86Å; R28-L30 PolarHBondContact O-N 2.69Å
29S92.4Very high92.6Very high63 Ų6360.2 Ų60.244%0.44131%0.314SS..THydrogen-bonded Turntrans51.736.7-172.8-57.10000113.5F25 R26 T32F25-S29 PolarHBondContact O-N 2.95Å; R26-S29 PolarHBondContact O-N 3.46Å; S29-T32 PolarHBondContact O-OG1 3.32Å
30L92.2Very high92.2Very high73 Ų7366.3 Ų66.338%0.38235%0.345SS..  trans-88.7130.7175.4-66.5174.9000109.5F25 R28 T32 H46F25-L30 HydrophobicContact CB-CB 4.2Å; F25-L30 HydrophobicContact CD1-CD1 4.34Å; F25-L30 PolarHBondContact O-N 3.47Å; R28-L30 HydrophobicContact CB-CD1 3.99Å; R28-L30 HydrophobicContact CB-CG 3.86Å; R28-L30 PolarHBondContact O-N 2.69Å; L30-T32 PolarHBondContact O-N 2.96Å; L30-T32 VanDerWaalsContact O-N 3.1Å; L30-H46 PolarHBondContact O-NE2 2.79Å
31F92.5Very high92.1Very high156 Ų15662.7 Ų62.768%0.68434%0.335SS*.SBendtrans60.412.9178.6-42.2-65.2000115.4F25 H46F25-F31 HydrophobicContact CD2-CD2 4.03Å; F25-F31 HydrophobicContact CD2-CE2 4.37Å; F25-F31 HydrophobicContact CE2-CD2 4.41Å; F25-F31 HydrophobicContact CE2-CE2 4.37Å; F25-F31 HydrophobicContact CG-CD2 4.24Å; F31-H46 PolarHBondContact O-CD2 2.88Å; F31-H46 VanDerWaalsContact O-CD2 3.23Å
32T93Very high92.1Very high41 Ų4165.7 Ų65.725%0.25234%0.344SS..  trans-71.3133.6174.953.90000110.3S29 L30 P44 C45S29-T32 PolarHBondContact O-OG1 3.32Å; L30-T32 PolarHBondContact O-N 2.96Å; L30-T32 VanDerWaalsContact O-N 3.1Å; T32-P44 HydrophobicContact CG2-CB 3.97Å; T32-C45 WeakPolarHBondContact CA-O 3.37Å; T32-C45 VanDerWaalsContact CB-O 3.31Å; T32-C45 WeakPolarHBondContact CB-O 3.43Å
33D92.3Very high92Very high73 Ų7363.6 Ų63.639%0.3933%0.333SS..  trans-124.72.4-173.258.9-9.4000112.4C45 H46 K47D33-C45 PolarHBondContact N-O 2.88Å; D33-C45 VanDerWaalsContact N-O 3.1Å; D33-H46 VanDerWaalsContact OD1-CA 3.26Å; D33-H46 WeakPolarHBondContact OD1-CA 3.34Å; D33-K47 WeakPolarHBondContact O-CE 3.45Å; D33-K47 WeakPolarHBondContact OD1-CG 3.33Å; D33-K47 PolarHBondContact OD1-N 2.73Å; D33-K47 WeakPolarHBondContact OD2-CB 3.2Å
34V93.4Very high92.1Very high1 Ų164.4 Ų64.41%0.00634%0.34CS..EExtended strand (participates in β ladder)trans-146.1147.7171.864.40000111.4L36 C45 K47 L50 F61 S71 V73V34-L36 HydrophobicContact CG2-CD2 4.31Å; V34-C45 HydrophobicContact CG1-CB 4Å; V34-C45 PolarHBondContact N-O 3.15Å; V34-C45 PolarHBondContact O-N 2.97Å; V34-C45 VanDerWaalsContact O-O 3.13Å; V34-K47 HydrophobicContact CB-CD 4.49Å; V34-K47 HydrophobicContact CB-CG 3.74Å; V34-K47 HydrophobicContact CG1-CG 3.7Å; V34-L50 HydrophobicContact CG1-CD1 3.95Å; V34-F61 HydrophobicContact CG1-CZ 4.3Å; V34-F61 HydrophobicContact CG2-CE1 4.2Å; V34-F61 HydrophobicContact CG2-CZ 4.17Å; V34-S71 CarbonylContact C-O 3.56Å; V34-V73 HydrophobicContact CG2-CG2 3.91Å
35I94Very high92.1Very high44 Ų4462.5 Ų62.523%0.22633%0.327CS..EExtended strand (participates in β ladder)trans-118.5121.4172.7-58.6173.5000107.8E42 S71 R72 V73I35-E42 HydrophobicContact CG2-CB 3.82Å; I35-E42 HydrophobicContact CG2-CG 4.37Å; I35-S71 PolarHBondContact N-O 2.78Å; I35-R72 HydrophobicContact CB-CG 4.24Å; I35-R72 HydrophobicContact CD1-CG 4.45Å; I35-R72 CarbonylContact O-C 3.56Å; I35-R72 VanDerWaalsContact O-CA 3.31Å; I35-R72 WeakPolarHBondContact O-CA 3.5Å; I35-V73 PolarHBondContact O-N 2.66Å
36L94.1Very high92.1Very high0 Ų059.8 Ų59.80%032%0.315CS..EExtended strand (participates in β ladder)trans-89.1127.2172.1-56-176.1000109.2V34 L43 L50 F57 V73 L75 L83 L87V34-L36 HydrophobicContact CG2-CD2 4.31Å; L36-L43 PolarHBondContact N-O 3.19Å; L36-L43 PolarHBondContact O-N 3.32Å; L36-L50 HydrophobicContact CD1-CD1 4.06Å; L36-L50 HydrophobicContact CD2-CD1 4.35Å; L36-L50 HydrophobicContact CG-CD1 4.41Å; L36-F57 HydrophobicContact CD1-CE1 4.3Å; L36-F57 HydrophobicContact CD1-CZ 4.03Å; L36-F57 HydrophobicContact CD2-CE1 4.16Å; L36-V73 CarbonylContact C-O 3.51Å; L36-V73 HydrophobicContact CD2-CB 3.89Å; L36-V73 HydrophobicContact CD2-CG1 4.33Å; L36-V73 HydrophobicContact CD2-CG2 4.43Å; L36-L75 HydrophobicContact CB-CD1 4.37Å; L36-L75 HydrophobicContact CD1-CD1 4.34Å; L36-L83 HydrophobicContact CB-CD2 4.15Å; L36-L83 HydrophobicContact CD1-CD1 4.12Å; L36-L83 HydrophobicContact CD1-CD2 4.44Å; L36-L87 HydrophobicContact CD1-CD1 4.38Å; L36-L87 HydrophobicContact CD1-CD2 4.02Å
37C92.9Very high92.1Very high17 Ų1760.9 Ų60.912%0.11532%0.32CS..EExtended strand (participates in β ladder)trans-107.4112.3178-57.90000109.2E41 R72 V73 K74 L75C37-E41 WeakPolarHBondContact CA-O 3.46Å; C37-R72 PolarHBondContact SG-NH2 3.27Å; C37-V73 PolarHBondContact N-O 3.24Å; C37-K74 WeakPolarHBondContact O-CA 3.5Å; C37-L75 PolarHBondContact O-N 2.73Å
38A89.9Confident92.1Very high0 Ų059 Ų590%032%0.321CS..EExtended strand (participates in β ladder)trans-123.6116.9173.600000108.6D40 E41 P80 L83A38-D40 PolarHBondContact O-N 3.41Å; A38-E41 PolarHBondContact N-O 3.31Å; A38-E41 VanDerWaalsContact N-O 3.07Å; A38-E41 PolarHBondContact O-N 2.6Å; A38-P80 HydrophobicContact CB-CG 4.47Å; A38-P80 WeakPolarHBondContact O-CG 3.5Å; A38-L83 HydrophobicContact CB-CD2 3.62Å
39G83.4Confident92.2Very high63 Ų6351.5 Ų51.565%0.64930%0.295SS*.THydrogen-bonded Turntrans55.1-124.4-168.100000111.5
40D84.7Confident92.3Very high175 Ų17548.5 Ų48.594%0.93627%0.274SS*.THydrogen-bonded Turntrans-93.2-0.8178-60.6-36000113.4A38A38-D40 PolarHBondContact O-N 3.41Å
41E90.1Very high92.4Very high75 Ų7546 Ų4635%0.3526%0.264SS..EExtended strand (participates in β ladder)trans-91.3135.3179.4-68.8-162.6-159.100112.3C37 A38 P80 R84C37-E41 WeakPolarHBondContact CA-O 3.46Å; A38-E41 PolarHBondContact N-O 3.31Å; A38-E41 VanDerWaalsContact N-O 3.07Å; A38-E41 PolarHBondContact O-N 2.6Å; E41-P80 HydrophobicContact CB-CB 4.11Å; E41-P80 HydrophobicContact CG-CB 3.9Å; E41-R84 IonicContact OE2-NH2 3.53Å
42E92.4Very high92.5Very high105 Ų10542.9 Ų42.949%0.49127%0.267SS..EExtended strand (participates in β ladder)trans-111.6121.8171.6-64.9-170.7-17100110.1I35 P44 R72I35-E42 HydrophobicContact CG2-CB 3.82Å; I35-E42 HydrophobicContact CG2-CG 4.37Å; E42-P44 WeakPolarHBondContact O-CD 3.26Å; E42-R72 IonicContact OE1-CZ 3.39Å; E42-R72 IonicContact OE1-NH1 3.24Å; E42-R72 PolarHBondContact OE1-NH1 2.84Å; E42-R72 IonicContact OE1-NH2 2.66Å; E42-R72 PolarHBondContact OE1-NH2 3.49Å; E42-R72 IonicContact OE2-CZ 3.57Å; E42-R72 IonicContact OE2-NH1 2.73Å; E42-R72 PolarHBondContact OE2-NH1 2.98Å; E42-R72 IonicContact OE2-NH2 3.57Å
43L93Very high92.6Very high9 Ų942.8 Ų42.85%0.04727%0.268CS..EExtended strand (participates in β ladder)trans-119.898.2-174-59.6175.4000110.4L36 C45 L83 L87L36-L43 PolarHBondContact N-O 3.19Å; L36-L43 PolarHBondContact O-N 3.32Å; L43-C45 PolarHBondContact O-SG 3.22Å; L43-C45 VanDerWaalsContact O-SG 3.36Å; L43-L83 HydrophobicContact CD1-CD2 3.85Å; L43-L83 HydrophobicContact CD1-CG 4.02Å; L43-L87 HydrophobicContact CB-CD1 4.18Å; L43-L87 HydrophobicContact CD1-CD1 3.76Å
44P94.8Very high92.7Very high35 Ų3539.5 Ų39.523%0.22725%0.25CS..EExtended strand (participates in β ladder)trans-62.6132.4173.9-21.934.2000111.5R26 T32 E42R26-P44 WeakPolarHBondContact CG-O 3.22Å; T32-P44 HydrophobicContact CG2-CB 3.97Å; E42-P44 WeakPolarHBondContact O-CD 3.26Å
45C95.1Very high92.8Very high0 Ų042 Ų420%027%0.271CS..EExtended strand (participates in β ladder)trans-144.7169.4-174.7-64.30000111.4T32 D33 V34 L43 L50T32-C45 WeakPolarHBondContact CA-O 3.37Å; T32-C45 VanDerWaalsContact CB-O 3.31Å; T32-C45 WeakPolarHBondContact CB-O 3.43Å; D33-C45 PolarHBondContact N-O 2.88Å; D33-C45 VanDerWaalsContact N-O 3.1Å; V34-C45 HydrophobicContact CG1-CB 4Å; V34-C45 PolarHBondContact N-O 3.15Å; V34-C45 PolarHBondContact O-N 2.97Å; V34-C45 VanDerWaalsContact O-O 3.13Å; L43-C45 PolarHBondContact O-SG 3.22Å; L43-C45 VanDerWaalsContact O-SG 3.36Å; C45-L50 HydrophobicContact CB-CD1 3.86Å; C45-L50 HydrophobicContact CB-CG 4.33Å
46H95Very high92.7Very high14 Ų1443.5 Ų43.57%0.06528%0.275CS..  trans-100.5122.3172.3-48.789000110.3L30 F31 D33 A48 V49 L50 Y91L30-H46 PolarHBondContact O-NE2 2.79Å; F31-H46 PolarHBondContact O-CD2 2.88Å; F31-H46 VanDerWaalsContact O-CD2 3.23Å; D33-H46 VanDerWaalsContact OD1-CA 3.26Å; D33-H46 WeakPolarHBondContact OD1-CA 3.34Å; H46-A48 PolarHBondContact O-N 3.06Å; H46-V49 HydrophobicContact CB-CB 4.29Å; H46-V49 HydrophobicContact CB-CG2 3.96Å; H46-V49 PolarHBondContact O-N 3.16Å; H46-V49 VanDerWaalsContact O-N 3.15Å; H46-L50 PolarHBondContact O-N 3.25Å; H46-L50 VanDerWaalsContact O-N 3.16Å; H46-Y91 PolarHBondContact N-OH 3.41Å; H46-Y91 AromaticContact ND1-CE1 3.48Å; H46-Y91 WeakPolarHBondContact ND1-CE1 2.93Å; H46-Y91 AromaticContact ND1-CZ 3.58Å; H46-Y91 PolarHBondContact ND1-OH 3.38Å
47K93.1Very high92.7Very high41 Ų4143.5 Ų43.518%0.17828%0.275CS..Hα-helixtrans-54.4-40.3176.5-71.3-178.4177.4-173.10111.3D33 V34 V49 L50 A51 F61 Q68D33-K47 WeakPolarHBondContact O-CE 3.45Å; D33-K47 WeakPolarHBondContact OD1-CG 3.33Å; D33-K47 PolarHBondContact OD1-N 2.73Å; D33-K47 WeakPolarHBondContact OD2-CB 3.2Å; V34-K47 HydrophobicContact CB-CD 4.49Å; V34-K47 HydrophobicContact CB-CG 3.74Å; V34-K47 HydrophobicContact CG1-CG 3.7Å; K47-V49 PolarHBondContact O-N 2.94Å; K47-L50 PolarHBondContact O-N 3.49Å; K47-A51 VanDerWaalsContact O-CB 3.22Å; K47-A51 WeakPolarHBondContact O-CB 3.41Å; K47-A51 PolarHBondContact O-N 3.41Å; K47-F61 HydrophobicContact CB-CD2 3.95Å; K47-F61 HydrophobicContact CB-CE2 4.08Å; K47-F61 HydrophobicContact CB-CG 4.42Å; K47-F61 HydrophobicContact CD-CD1 4.31Å; K47-F61 HydrophobicContact CD-CG 4.39Å; K47-F61 HydrophobicContact CG-CD1 4.33Å; K47-F61 HydrophobicContact CG-CD2 4.12Å; K47-F61 HydrophobicContact CG-CE1 4.26Å; K47-F61 HydrophobicContact CG-CE2 4.04Å; K47-F61 HydrophobicContact CG-CG 4.28Å; K47-F61 HydrophobicContact CG-CZ 4.12Å; K47-Q68 PolarHBondContact NZ-O 3.49Å
48A93.2Very high92.7Very high75 Ų7546.8 Ų46.862%0.6229%0.291SS*.Hα-helixtrans-61.3-42.6179.500000112.9H46 A52H46-A48 PolarHBondContact O-N 3.06Å; A48-A52 WeakPolarHBondContact O-CB 3.4Å; A48-A52 PolarHBondContact O-N 3.17Å
49V95.2Very high92.7Very high21 Ų2149.9 Ų49.913%0.12732%0.316CS..Hα-helixtrans-69-43.7178.71780000110.5L22 H46 K47 A52 S53 Y91L22-V49 HydrophobicContact CD1-CG2 4.06Å; L22-V49 HydrophobicContact CD2-CG2 4.41Å; H46-V49 HydrophobicContact CB-CB 4.29Å; H46-V49 HydrophobicContact CB-CG2 3.96Å; H46-V49 PolarHBondContact O-N 3.16Å; H46-V49 VanDerWaalsContact O-N 3.15Å; K47-V49 PolarHBondContact O-N 2.94Å; V49-A52 PolarHBondContact O-N 3.06Å; V49-S53 WeakPolarHBondContact O-CB 3.46Å; V49-S53 PolarHBondContact O-N 2.89Å; V49-S53 PolarHBondContact O-OG 2.9Å; V49-Y91 HydrophobicContact CB-CE1 4.22Å; V49-Y91 HydrophobicContact CB-CE2 4.15Å; V49-Y91 HydrophobicContact CG1-CD1 4.16Å; V49-Y91 HydrophobicContact CG1-CD2 3.81Å; V49-Y91 HydrophobicContact CG1-CE1 3.96Å; V49-Y91 HydrophobicContact CG1-CE2 3.59Å; V49-Y91 HydrophobicContact CG1-CG 4.1Å; V49-Y91 HydrophobicContact CG2-CE1 4.02Å
50L94.8Very high93Very high0 Ų048 Ų480%029%0.291CS..Hα-helixtrans-63.8-47.4178.1-66-178.1000112.1V34 L36 C45 H46 K47 A52 S53 S54 F57 F61 L87V34-L50 HydrophobicContact CG1-CD1 3.95Å; L36-L50 HydrophobicContact CD1-CD1 4.06Å; L36-L50 HydrophobicContact CD2-CD1 4.35Å; L36-L50 HydrophobicContact CG-CD1 4.41Å; C45-L50 HydrophobicContact CB-CD1 3.86Å; C45-L50 HydrophobicContact CB-CG 4.33Å; H46-L50 PolarHBondContact O-N 3.25Å; H46-L50 VanDerWaalsContact O-N 3.16Å; K47-L50 PolarHBondContact O-N 3.49Å; L50-A52 VanDerWaalsContact C-N 3.3Å; L50-A52 PolarHBondContact O-N 2.79Å; L50-S53 PolarHBondContact O-N 2.86Å; L50-S53 PolarHBondContact O-OG 3.49Å; L50-S54 PolarHBondContact O-N 2.93Å; L50-F57 HydrophobicContact CB-CB 3.88Å; L50-F57 HydrophobicContact CB-CD2 3.92Å; L50-F57 HydrophobicContact CB-CG 3.87Å; L50-F57 HydrophobicContact CD1-CD1 4.44Å; L50-F57 HydrophobicContact CD2-CD2 4.22Å; L50-F57 HydrophobicContact CD2-CE2 4.18Å; L50-F57 HydrophobicContact CG-CD2 4.49Å; L50-F61 HydrophobicContact CB-CE2 3.89Å; L50-F61 HydrophobicContact CD1-CE2 4.11Å; L50-F61 HydrophobicContact CD1-CZ 4.16Å; L50-L87 HydrophobicContact CD2-CD2 3.45Å; L50-L87 VanDerWaalsContact CD2-CD2 3.45Å
51A93.9Very high93.2Very high21 Ų2140.7 Ų40.717%0.17425%0.251CS..Hα-helixtrans-64.9-32.8177.300000112.8K47 L58 F61K47-A51 VanDerWaalsContact O-CB 3.22Å; K47-A51 WeakPolarHBondContact O-CB 3.41Å; K47-A51 PolarHBondContact O-N 3.41Å; A51-L58 HydrophobicContact CB-CB 4.3Å; A51-L58 HydrophobicContact CB-CD1 4Å; A51-F61 HydrophobicContact CB-CD2 4.29Å
52A94.6Very high92.9Very high90 Ų9041 Ų4174%0.74426%0.261SS*.Hα-helixtrans-73.6-27.6176.100000113A48 V49 L50A48-A52 WeakPolarHBondContact O-CB 3.4Å; A48-A52 PolarHBondContact O-N 3.17Å; V49-A52 PolarHBondContact O-N 3.06Å; L50-A52 VanDerWaalsContact C-N 3.3Å; L50-A52 PolarHBondContact O-N 2.79Å
53S94Very high92.1Very high39 Ų3937.4 Ų37.427%0.27325%0.247SC..Hα-helixtrans-98.7-20.2-17455.30000114.3V49 L50 Y114V49-S53 WeakPolarHBondContact O-CB 3.46Å; V49-S53 PolarHBondContact O-N 2.89Å; V49-S53 PolarHBondContact O-OG 2.9Å; L50-S53 PolarHBondContact O-N 2.86Å; L50-S53 PolarHBondContact O-OG 3.49Å; S53-Y114 PolarHBondContact OG-OH 3.43Å
54S95.4Very high90.9Very high4 Ų442 Ų423%0.02828%0.278CS..  trans-144.8130.4-178146.30000111.9L50 Y56 F57 L58 L112L50-S54 PolarHBondContact O-N 2.93Å; S54-Y56 VanDerWaalsContact C-N 3.26Å; S54-Y56 PolarHBondContact O-N 2.98Å; S54-Y56 WeakPolarHBondContact OG-CB 3.45Å; S54-Y56 PolarHBondContact OG-N 3.44Å; S54-F57 PolarHBondContact O-N 3.46Å; S54-F57 WeakPolarHBondContact OG-CD2 3.29Å; S54-F57 PolarHBondContact OG-N 2.99Å; S54-L58 PolarHBondContact O-N 3.33Å; S54-L112 WeakPolarHBondContact CB-O 3.46Å; S54-L112 PolarHBondContact OG-O 3.27Å
55A94.7Very high89.5Confident54 Ų5448.2 Ų48.245%0.44630%0.298SS..Hα-helixtrans-68.2-27.1178.100000112.3L58 A59 D113A55-L58 PolarHBondContact O-N 3.18Å; A55-A59 WeakPolarHBondContact O-CB 3.36Å; A55-A59 PolarHBondContact O-N 2.91Å; A55-D113 WeakPolarHBondContact CB-OD2 3.27Å
56Y93.5Very high87.8Confident76 Ų7656.3 Ų56.330%0.29833%0.333SS..Hα-helixtrans-58.1-51.4170.3175.5-92.4000111.3S54 A59 M60 L112S54-Y56 VanDerWaalsContact C-N 3.26Å; S54-Y56 PolarHBondContact O-N 2.98Å; S54-Y56 WeakPolarHBondContact OG-CB 3.45Å; S54-Y56 PolarHBondContact OG-N 3.44Å; Y56-A59 PolarHBondContact O-N 3.09Å; Y56-M60 HydrophobicContact CD1-CE 4.33Å; Y56-M60 HydrophobicContact CE1-CE 3.35Å; Y56-M60 WeakPolarHBondContact O-CB 3.31Å; Y56-M60 PolarHBondContact O-N 3.26Å; Y56-M60 VanDerWaalsContact OH-CE 3.29Å; Y56-M60 WeakPolarHBondContact OH-CE 3.31Å; Y56-L112 WeakPolarHBondContact CB-O 3.36Å; Y56-L112 HydrophobicContact CD1-CD2 3.74Å; Y56-L112 HydrophobicContact CE1-CD2 3.64Å; Y56-L112 HydrophobicContact CG-CD2 4.49Å
57F92.8Very high86Confident0 Ų059.4 Ų59.40%035%0.348CS..Hα-helixtrans-70.2-34.7178.6-70.5-58000112.4L36 L50 S54 M60 F61 L112 Y114L36-F57 HydrophobicContact CD1-CE1 4.3Å; L36-F57 HydrophobicContact CD1-CZ 4.03Å; L36-F57 HydrophobicContact CD2-CE1 4.16Å; L50-F57 HydrophobicContact CB-CB 3.88Å; L50-F57 HydrophobicContact CB-CD2 3.92Å; L50-F57 HydrophobicContact CB-CG 3.87Å; L50-F57 HydrophobicContact CD1-CD1 4.44Å; L50-F57 HydrophobicContact CD2-CD2 4.22Å; L50-F57 HydrophobicContact CD2-CE2 4.18Å; L50-F57 HydrophobicContact CG-CD2 4.49Å; S54-F57 PolarHBondContact O-N 3.46Å; S54-F57 WeakPolarHBondContact OG-CD2 3.29Å; S54-F57 PolarHBondContact OG-N 2.99Å; F57-M60 HydrophobicContact CD1-SD 4.3Å; F57-M60 PolarHBondContact O-N 2.85Å; F57-F61 HydrophobicContact CB-CD2 4.21Å; F57-F61 HydrophobicContact CB-CE2 3.83Å; F57-F61 HydrophobicContact CD1-CE2 4.13Å; F57-F61 HydrophobicContact CD1-CZ 4.04Å; F57-F61 HydrophobicContact CG-CE2 4.29Å; F57-F61 WeakPolarHBondContact O-CB 3.33Å; F57-F61 WeakPolarHBondContact O-CD2 3.43Å; F57-F61 VanDerWaalsContact O-CG 3.31Å; F57-F61 WeakPolarHBondContact O-CG 3.48Å; F57-F61 PolarHBondContact O-N 3Å; F57-L112 HydrophobicContact CE1-CD2 4.42Å; F57-L112 HydrophobicContact CE2-CD1 4.32Å; F57-L112 HydrophobicContact CE2-CD2 4.29Å; F57-L112 HydrophobicContact CZ-CD1 4.17Å; F57-L112 HydrophobicContact CZ-CD2 3.81Å; F57-L112 HydrophobicContact CZ-CG 4.49Å; F57-Y114 HydrophobicContact CE2-CE2 4.3Å
58L92.9Very high84.5Confident86 Ų8662 Ų6245%0.4536%0.361SS..Hα-helixtrans-58.6-48.6173.1-178.862.6000111.2A51 S54 A55 F61 S62A51-L58 HydrophobicContact CB-CB 4.3Å; A51-L58 HydrophobicContact CB-CD1 4Å; S54-L58 PolarHBondContact O-N 3.33Å; A55-L58 PolarHBondContact O-N 3.18Å; L58-F61 PolarHBondContact O-N 3.29Å; L58-S62 WeakPolarHBondContact O-CB 3.17Å; L58-S62 PolarHBondContact O-N 3.25Å; L58-S62 PolarHBondContact O-OG 2.9Å
59A90.2Very high82.9Confident65 Ų6566.4 Ų66.454%0.53737%0.368SS..Hα-helixtrans-62.8-45.4177.100000111.5A55 Y56 F61 S62 S63A55-A59 WeakPolarHBondContact O-CB 3.36Å; A55-A59 PolarHBondContact O-N 2.91Å; Y56-A59 PolarHBondContact O-N 3.09Å; A59-F61 PolarHBondContact O-N 3.31Å; A59-S62 PolarHBondContact O-N 2.98Å; A59-S63 VanDerWaalsContact O-CB 3.3Å; A59-S63 WeakPolarHBondContact O-CB 3.37Å; A59-S63 PolarHBondContact O-N 2.95Å
60M89.6Confident81.6Confident23 Ų2368.2 Ų68.211%0.11338%0.379CS..Hα-helixtrans-58.1-46177.7-179-176.4-74.100112.2Y56 F57 E67 V73Y56-M60 HydrophobicContact CD1-CE 4.33Å; Y56-M60 HydrophobicContact CE1-CE 3.35Å; Y56-M60 WeakPolarHBondContact O-CB 3.31Å; Y56-M60 PolarHBondContact O-N 3.26Å; Y56-M60 VanDerWaalsContact OH-CE 3.29Å; Y56-M60 WeakPolarHBondContact OH-CE 3.31Å; F57-M60 HydrophobicContact CD1-SD 4.3Å; F57-M60 PolarHBondContact O-N 2.85Å; M60-E67 HydrophobicContact CG-CB 3.7Å; M60-E67 HydrophobicContact CG-CG 3.92Å; M60-E67 HydrophobicContact SD-CB 4.44Å; M60-E67 HydrophobicContact SD-CG 4.35Å; M60-V73 HydrophobicContact CE-CG1 3.84Å; M60-V73 HydrophobicContact SD-CB 4.44Å; M60-V73 HydrophobicContact SD-CG1 3.63Å; M60-V73 HydrophobicContact SD-CG2 3.94Å
61F88.5Confident80.9Confident21 Ų2171.8 Ų71.89%0.09240%0.404CS..Hα-helixtrans-85.3-20-175.5-58.7-37.2000114.4V34 K47 L50 A51 F57 L58 A59 V73V34-F61 HydrophobicContact CG1-CZ 4.3Å; V34-F61 HydrophobicContact CG2-CE1 4.2Å; V34-F61 HydrophobicContact CG2-CZ 4.17Å; K47-F61 HydrophobicContact CB-CD2 3.95Å; K47-F61 HydrophobicContact CB-CE2 4.08Å; K47-F61 HydrophobicContact CB-CG 4.42Å; K47-F61 HydrophobicContact CD-CD1 4.31Å; K47-F61 HydrophobicContact CD-CG 4.39Å; K47-F61 HydrophobicContact CG-CD1 4.33Å; K47-F61 HydrophobicContact CG-CD2 4.12Å; K47-F61 HydrophobicContact CG-CE1 4.26Å; K47-F61 HydrophobicContact CG-CE2 4.04Å; K47-F61 HydrophobicContact CG-CG 4.28Å; K47-F61 HydrophobicContact CG-CZ 4.12Å; L50-F61 HydrophobicContact CB-CE2 3.89Å; L50-F61 HydrophobicContact CD1-CE2 4.11Å; L50-F61 HydrophobicContact CD1-CZ 4.16Å; A51-F61 HydrophobicContact CB-CD2 4.29Å; F57-F61 HydrophobicContact CB-CD2 4.21Å; F57-F61 HydrophobicContact CB-CE2 3.83Å; F57-F61 HydrophobicContact CD1-CE2 4.13Å; F57-F61 HydrophobicContact CD1-CZ 4.04Å; F57-F61 HydrophobicContact CG-CE2 4.29Å; F57-F61 WeakPolarHBondContact O-CB 3.33Å; F57-F61 WeakPolarHBondContact O-CD2 3.43Å; F57-F61 VanDerWaalsContact O-CG 3.31Å; F57-F61 WeakPolarHBondContact O-CG 3.48Å; F57-F61 PolarHBondContact O-N 3Å; L58-F61 PolarHBondContact O-N 3.29Å; A59-F61 PolarHBondContact O-N 3.31Å; F61-V73 HydrophobicContact CE1-CG2 4.32Å
62S85.3Confident80.7Confident82 Ų8276.3 Ų76.357%0.57342%0.417SS*.Hα-helixtrans-87.3-13.4176.8-54.80000113.1L58 A59L58-S62 WeakPolarHBondContact O-CB 3.17Å; L58-S62 PolarHBondContact O-N 3.25Å; L58-S62 PolarHBondContact O-OG 2.9Å; A59-S62 PolarHBondContact O-N 2.98Å
63S74.1Confident80.5Confident29 Ų2972.4 Ų72.420%0.20338%0.384CS..SBendtrans-80.1142.9-177.2-166.70000112.2A59 Y65 Q68A59-S63 VanDerWaalsContact O-CB 3.3Å; A59-S63 WeakPolarHBondContact O-CB 3.37Å; A59-S63 PolarHBondContact O-N 2.95Å; S63-Y65 PolarHBondContact O-N 3.15Å; S63-Y65 WeakPolarHBondContact OG-CD2 3.41Å; S63-Y65 WeakPolarHBondContact OG-CE2 3.44Å; S63-Q68 WeakPolarHBondContact O-CB 3.37Å; S63-Q68 PolarHBondContact O-OE1 3.5Å
64P68.7Low80.3Confident107 Ų10777.6 Ų77.670%0.69540%0.402SS*.SBendtrans-71.710.817930.4-36.9000114.6
65Y64.9Low80Confident164 Ų16477.8 Ų77.864%0.64340%0.402SS*.SBendtrans-84.5175.6-178.3-59-56.5000112.6S63 E67 Q68S63-Y65 PolarHBondContact O-N 3.15Å; S63-Y65 WeakPolarHBondContact OG-CD2 3.41Å; S63-Y65 WeakPolarHBondContact OG-CE2 3.44Å; Y65-E67 PolarHBondContact O-N 3.03Å; Y65-Q68 WeakPolarHBondContact O-CB 3.21Å; Y65-Q68 PolarHBondContact O-N 3.03Å
66K58.4Low79.5Confident171 Ų17179.9 Ų79.974%0.74341%0.406SS*.Hα-helixtrans-54.1-30.5-171.3-75.3-177.8177.7177.50113.5Q68 Q69 T70K66-Q68 PolarHBondContact O-N 3Å; K66-Q69 PolarHBondContact O-N 3.03Å; K66-T70 WeakPolarHBondContact O-CG2 3.49Å; K66-T70 PolarHBondContact O-N 3.05Å; K66-T70 PolarHBondContact O-OG1 2.91Å
67E58.4Low79Confident78 Ų7886.3 Ų86.336%0.36443%0.431SS..Hα-helixtrans-61.6-26178.9-63.492.5177.200113.5M60 Y65 Q69 T70M60-E67 HydrophobicContact CG-CB 3.7Å; M60-E67 HydrophobicContact CG-CG 3.92Å; M60-E67 HydrophobicContact SD-CB 4.44Å; M60-E67 HydrophobicContact SD-CG 4.35Å; Y65-E67 PolarHBondContact O-N 3.03Å; E67-Q69 VanDerWaalsContact C-N 3.29Å; E67-Q69 PolarHBondContact O-N 3.18Å; E67-T70 WeakPolarHBondContact CA-OG1 3.27Å
68Q60.7Low78.8Confident96 Ų9686.8 Ų86.845%0.44943%0.434SS..Hα-helixtrans-64.8-37.5174.3-165-177.413.900111.5K47 S63 Y65 K66K47-Q68 PolarHBondContact NZ-O 3.49Å; S63-Q68 WeakPolarHBondContact O-CB 3.37Å; S63-Q68 PolarHBondContact O-OE1 3.5Å; Y65-Q68 WeakPolarHBondContact O-CB 3.21Å; Y65-Q68 PolarHBondContact O-N 3.03Å; K66-Q68 PolarHBondContact O-N 3Å
69Q60.6Low78.4Confident167 Ų16784.6 Ų84.678%0.7843%0.426SS*.Hα-helixtrans-92.9-21.7-175-63-172.70.300113.4K66 E67K66-Q69 PolarHBondContact O-N 3.03Å; E67-Q69 VanDerWaalsContact C-N 3.29Å; E67-Q69 PolarHBondContact O-N 3.18Å
70T68.5Low78.3Confident59 Ų5983.3 Ų83.336%0.36241%0.412SS..  trans-88127.217854.60000111.3K66 E67 R72K66-T70 WeakPolarHBondContact O-CG2 3.49Å; K66-T70 PolarHBondContact O-N 3.05Å; K66-T70 PolarHBondContact O-OG1 2.91Å; E67-T70 WeakPolarHBondContact CA-OG1 3.27Å; T70-R72 PolarHBondContact O-N 2.89Å
71S78.9Confident78.2Confident75 Ų7587 Ų8752%0.52442%0.424SS..SBendtrans-75.95.8171-54.30000113.6V34 I35V34-S71 CarbonylContact C-O 3.56Å; I35-S71 PolarHBondContact N-O 2.78Å
72R89.9Confident78.3Confident116 Ų11686 Ų8644%0.43842%0.42SS..EExtended strand (participates in β ladder)trans-135.9125.3-175.7-63.8177.364.795.1-3110.2I35 C37 E42 T70I35-R72 HydrophobicContact CB-CG 4.24Å; I35-R72 HydrophobicContact CD1-CG 4.45Å; I35-R72 CarbonylContact O-C 3.56Å; I35-R72 VanDerWaalsContact O-CA 3.31Å; I35-R72 WeakPolarHBondContact O-CA 3.5Å; C37-R72 PolarHBondContact SG-NH2 3.27Å; E42-R72 IonicContact OE1-CZ 3.39Å; E42-R72 IonicContact OE1-NH1 3.24Å; E42-R72 PolarHBondContact OE1-NH1 2.84Å; E42-R72 IonicContact OE1-NH2 2.66Å; E42-R72 PolarHBondContact OE1-NH2 3.49Å; E42-R72 IonicContact OE2-CZ 3.57Å; E42-R72 IonicContact OE2-NH1 2.73Å; E42-R72 PolarHBondContact OE2-NH1 2.98Å; E42-R72 IonicContact OE2-NH2 3.57Å; T70-R72 PolarHBondContact O-N 2.89Å
73V89.6Confident78.7Confident9 Ų982.1 Ų82.16%0.05539%0.393CS..EExtended strand (participates in β ladder)trans-120.5123.5-179177.40000109V34 I35 L36 C37 M60 F61 L75V34-V73 HydrophobicContact CG2-CG2 3.91Å; I35-V73 PolarHBondContact O-N 2.66Å; L36-V73 CarbonylContact C-O 3.51Å; L36-V73 HydrophobicContact CD2-CB 3.89Å; L36-V73 HydrophobicContact CD2-CG1 4.33Å; L36-V73 HydrophobicContact CD2-CG2 4.43Å; C37-V73 PolarHBondContact N-O 3.24Å; M60-V73 HydrophobicContact CE-CG1 3.84Å; M60-V73 HydrophobicContact SD-CB 4.44Å; M60-V73 HydrophobicContact SD-CG1 3.63Å; M60-V73 HydrophobicContact SD-CG2 3.94Å; F61-V73 HydrophobicContact CE1-CG2 4.32Å; V73-L75 HydrophobicContact CG1-CD2 4.32Å
74K89.8Confident79.5Confident147 Ų14786 Ų8664%0.63940%0.403SS*.EExtended strand (participates in β ladder)trans-93.2128.5179.8-161.8-173.7-171.7-137.80110.8C37 D76C37-K74 WeakPolarHBondContact O-CA 3.5Å; K74-D76 VanDerWaalsContact CD-OD1 3.29Å; K74-D76 WeakPolarHBondContact CD-OD1 3.19Å; K74-D76 WeakPolarHBondContact CE-OD1 3.41Å; K74-D76 IonicContact NZ-OD1 3.53Å; K74-D76 PolarHBondContact NZ-OD1 2.83Å; K74-D76 IonicContact NZ-OD2 3.07Å
75L90.1Very high80.6Confident8 Ų883.6 Ų83.64%0.04238%0.38CS..  trans-117.788.6179.9-63173.6000109L36 C37 V73 Y77 I78 L83 L112L36-L75 HydrophobicContact CB-CD1 4.37Å; L36-L75 HydrophobicContact CD1-CD1 4.34Å; C37-L75 PolarHBondContact O-N 2.73Å; V73-L75 HydrophobicContact CG1-CD2 4.32Å; L75-Y77 VanDerWaalsContact C-N 3.32Å; L75-Y77 PolarHBondContact O-N 3.39Å; L75-I78 HydrophobicContact CB-CD1 4.41Å; L75-I78 HydrophobicContact CD1-CD1 4.36Å; L75-L83 HydrophobicContact CD1-CD1 3.98Å; L75-L83 HydrophobicContact CD1-CD2 3.83Å; L75-L112 HydrophobicContact CD2-CD2 4.37Å
76D83.6Confident82Confident98 Ų9875.9 Ų75.952%0.52435%0.35SS..THydrogen-bonded Turntrans-73.4-17.2-169.7-74.4-41000114.8K74K74-D76 VanDerWaalsContact CD-OD1 3.29Å; K74-D76 WeakPolarHBondContact CD-OD1 3.19Å; K74-D76 WeakPolarHBondContact CE-OD1 3.41Å; K74-D76 IonicContact NZ-OD1 3.53Å; K74-D76 PolarHBondContact NZ-OD1 2.83Å; K74-D76 IonicContact NZ-OD2 3.07Å
77Y84.1Confident83.7Confident211 Ų21167.8 Ų67.883%0.82732%0.315SS*.THydrogen-bonded Turntrans-118.920-170.4-55.5-72.2000114L75L75-Y77 VanDerWaalsContact C-N 3.32Å; L75-Y77 PolarHBondContact O-N 3.39Å
78I88.2Confident85.4Confident11 Ų1165.4 Ų65.46%0.05631%0.305CS..SBendtrans-125.3131.7-178.4-57.5-178.8000108.9L75 L83 A108 L111 L112L75-I78 HydrophobicContact CB-CD1 4.41Å; L75-I78 HydrophobicContact CD1-CD1 4.36Å; I78-L83 HydrophobicContact CG2-CB 3.88Å; I78-A108 HydrophobicContact CG2-CB 3.73Å; I78-L111 HydrophobicContact CD1-CD2 3.78Å; I78-L111 HydrophobicContact CD1-CG 4.35Å; I78-L111 HydrophobicContact CG1-CD2 3.65Å; I78-L112 HydrophobicContact CD1-CD1 3.63Å; I78-L112 HydrophobicContact CD1-CD2 3.62Å; I78-L112 HydrophobicContact CD1-CG 3.51Å
79S83.6Confident87Confident40 Ų4062.3 Ų62.328%0.2829%0.29SS..  trans-64.4136.8173.977.20000109.7W81 A82 L83S79-W81 PolarHBondContact O-N 3.36Å; S79-W81 VanDerWaalsContact O-N 3.12Å; S79-A82 PolarHBondContact O-N 3.43Å; S79-A82 VanDerWaalsContact O-N 3.1Å; S79-A82 WeakPolarHBondContact OG-CB 3.4Å; S79-A82 PolarHBondContact OG-N 2.85Å; S79-A82 VanDerWaalsContact OG-N 3.12Å; S79-L83 PolarHBondContact O-N 3.49Å
80P87.9Confident88.6Confident38 Ų3855.4 Ų55.425%0.24726%0.261CS..Hα-helixtrans-54.6-35.9179.9-24.732.2000112.2A38 E41 R84A38-P80 HydrophobicContact CB-CG 4.47Å; A38-P80 WeakPolarHBondContact O-CG 3.5Å; E41-P80 HydrophobicContact CB-CB 4.11Å; E41-P80 HydrophobicContact CG-CB 3.9Å; P80-R84 PolarHBondContact O-N 3.21Å
81W88.4Confident89.9Confident99 Ų9952.8 Ų52.838%0.37525%0.245SC..Hα-helixtrans-65.2-49.5177-174.393.8000112.7S79 L83 R84 R85 T101 I105S79-W81 PolarHBondContact O-N 3.36Å; S79-W81 VanDerWaalsContact O-N 3.12Å; W81-L83 VanDerWaalsContact C-N 3.3Å; W81-L83 PolarHBondContact O-N 2.97Å; W81-R84 WeakPolarHBondContact O-CB 3.36Å; W81-R84 PolarHBondContact O-N 3.41Å; W81-R84 VanDerWaalsContact O-N 3.12Å; W81-R85 HydrophobicContact CD2-CG 4.05Å; W81-R85 HydrophobicContact CE3-CG 3.96Å; W81-R85 HydrophobicContact CH2-CG 3.51Å; W81-R85 HydrophobicContact CZ2-CG 3.62Å; W81-R85 HydrophobicContact CZ3-CG 3.69Å; W81-R85 PolarHBondContact O-N 3.3Å; W81-T101 HydrophobicContact CE3-CG2 4.41Å; W81-T101 HydrophobicContact CH2-CG2 3.34Å; W81-T101 HydrophobicContact CZ2-CG2 3.78Å; W81-T101 VanDerWaalsContact CZ3-CB 3.46Å; W81-T101 HydrophobicContact CZ3-CG2 3.71Å; W81-I105 HydrophobicContact CH2-CD1 3.88Å; W81-I105 HydrophobicContact CH2-CG1 4.23Å; W81-I105 HydrophobicContact CZ3-CD1 3.81Å; W81-I105 HydrophobicContact CZ3-CG1 3.62Å
82A90.7Very high90.5Very high0 Ų052.3 Ų52.30%024%0.236CC..Hα-helixtrans-63.4-39.5179.200000111.2S79 R84 R85 L86 D104 A108S79-A82 PolarHBondContact O-N 3.43Å; S79-A82 VanDerWaalsContact O-N 3.1Å; S79-A82 WeakPolarHBondContact OG-CB 3.4Å; S79-A82 PolarHBondContact OG-N 2.85Å; S79-A82 VanDerWaalsContact OG-N 3.12Å; A82-R84 VanDerWaalsContact C-N 3.34Å; A82-R84 PolarHBondContact O-N 2.81Å; A82-R85 PolarHBondContact O-N 3.37Å; A82-L86 WeakPolarHBondContact O-CG 3.44Å; A82-L86 PolarHBondContact O-N 3.26Å; A82-D104 HydrophobicContact CB-CB 4.18Å; A82-A108 HydrophobicContact CB-CB 3.81Å
83L93.4Very high90.5Very high1 Ų149.4 Ų49.41%0.00524%0.242CC..Hα-helixtrans-58.9-46.1173.1-178.759.7000111.2L36 A38 L43 L75 I78 S79 W81 R85 L86 L87 L112L36-L83 HydrophobicContact CB-CD2 4.15Å; L36-L83 HydrophobicContact CD1-CD1 4.12Å; L36-L83 HydrophobicContact CD1-CD2 4.44Å; A38-L83 HydrophobicContact CB-CD2 3.62Å; L43-L83 HydrophobicContact CD1-CD2 3.85Å; L43-L83 HydrophobicContact CD1-CG 4.02Å; L75-L83 HydrophobicContact CD1-CD1 3.98Å; L75-L83 HydrophobicContact CD1-CD2 3.83Å; I78-L83 HydrophobicContact CG2-CB 3.88Å; S79-L83 PolarHBondContact O-N 3.49Å; W81-L83 VanDerWaalsContact C-N 3.3Å; W81-L83 PolarHBondContact O-N 2.97Å; L83-R85 PolarHBondContact O-N 2.88Å; L83-L86 PolarHBondContact O-N 2.9Å; L83-L87 HydrophobicContact CD1-CD1 4.32Å; L83-L87 HydrophobicContact CD1-CG 4.22Å; L83-L87 HydrophobicContact CG-CD1 4.06Å; L83-L87 HydrophobicContact CG-CG 4.39Å; L83-L87 WeakPolarHBondContact O-CB 3.23Å; L83-L87 VanDerWaalsContact O-CG 3.23Å; L83-L87 WeakPolarHBondContact O-CG 3.23Å; L83-L87 PolarHBondContact O-N 3.33Å; L83-L112 HydrophobicContact CD1-CD1 3.82Å
84R91.3Very high90.5Very high111 Ų11153 Ų5342%0.41927%0.266SS..Hα-helixtrans-59.4-45.1178-177.2176.8-78.8-117.32.2111.9E41 P80 W81 A82 L87 D88E41-R84 IonicContact OE2-NH2 3.53Å; P80-R84 PolarHBondContact O-N 3.21Å; W81-R84 WeakPolarHBondContact O-CB 3.36Å; W81-R84 PolarHBondContact O-N 3.41Å; W81-R84 VanDerWaalsContact O-N 3.12Å; A82-R84 VanDerWaalsContact C-N 3.34Å; A82-R84 PolarHBondContact O-N 2.81Å; R84-L87 PolarHBondContact O-N 3.03Å; R84-D88 PolarHBondContact O-N 3.23Å
85R92Very high90.6Very high57 Ų5747.8 Ų47.822%0.21525%0.246CC..Hα-helixtrans-62.5-41.6176.4-64.5-66.885.2150.6-0.9112.7W81 A82 L83 L87 D88 F89 L95 E96W81-R85 HydrophobicContact CD2-CG 4.05Å; W81-R85 HydrophobicContact CE3-CG 3.96Å; W81-R85 HydrophobicContact CH2-CG 3.51Å; W81-R85 HydrophobicContact CZ2-CG 3.62Å; W81-R85 HydrophobicContact CZ3-CG 3.69Å; W81-R85 PolarHBondContact O-N 3.3Å; A82-R85 PolarHBondContact O-N 3.37Å; L83-R85 PolarHBondContact O-N 2.88Å; R85-L87 VanDerWaalsContact C-N 3.32Å; R85-L87 PolarHBondContact O-N 3.38Å; R85-D88 IonicContact CZ-OD2 3.5Å; R85-D88 IonicContact NE-OD2 4Å; R85-D88 PolarHBondContact NE-OD2 2.65Å; R85-D88 IonicContact NH2-OD2 3.52Å; R85-D88 PolarHBondContact NH2-OD2 2.86Å; R85-D88 PolarHBondContact O-N 2.93Å; R85-F89 WeakPolarHBondContact O-CB 3.25Å; R85-F89 PolarHBondContact O-N 3.45Å; R85-L95 HydrophobicContact CB-CD1 4.21Å; R85-E96 IonicContact NH1-OE2 2.72Å; R85-E96 PolarHBondContact NH1-OE2 3.4Å
86L94.6Very high90.5Very high1 Ų153.1 Ų53.11%0.00527%0.27CS..Hα-helixtrans-68-32.5176-70.9177000112.7A82 L83 F89 A90 I105 A108 A109 L112 Y114 A117A82-L86 WeakPolarHBondContact O-CG 3.44Å; A82-L86 PolarHBondContact O-N 3.26Å; L83-L86 PolarHBondContact O-N 2.9Å; L86-F89 WeakPolarHBondContact O-CB 3.4Å; L86-F89 PolarHBondContact O-N 2.92Å; L86-A90 WeakPolarHBondContact O-CB 3.39Å; L86-A90 PolarHBondContact O-N 3.2Å; L86-I105 HydrophobicContact CD2-CG2 4.31Å; L86-A108 HydrophobicContact CD1-CB 3.52Å; L86-A109 HydrophobicContact CD1-CB 4.36Å; L86-A109 HydrophobicContact CD2-CB 4.03Å; L86-L112 HydrophobicContact CD1-CD1 4.05Å; L86-Y114 HydrophobicContact CB-CE2 4.4Å; L86-Y114 HydrophobicContact CD1-CD2 4.28Å; L86-Y114 HydrophobicContact CD2-CD2 4.32Å; L86-Y114 HydrophobicContact CD2-CG 4.46Å; L86-A117 HydrophobicContact CD2-CB 4.02Å
87L94.3Very high90.7Very high1 Ų150 Ų501%0.00525%0.253CS..Hα-helixtrans-70.1-39.8172-67171.9000111.4L36 L43 L50 L83 R84 R85 F89 A90 Y91L36-L87 HydrophobicContact CD1-CD1 4.38Å; L36-L87 HydrophobicContact CD1-CD2 4.02Å; L43-L87 HydrophobicContact CB-CD1 4.18Å; L43-L87 HydrophobicContact CD1-CD1 3.76Å; L50-L87 HydrophobicContact CD2-CD2 3.45Å; L50-L87 VanDerWaalsContact CD2-CD2 3.45Å; L83-L87 HydrophobicContact CD1-CD1 4.32Å; L83-L87 HydrophobicContact CD1-CG 4.22Å; L83-L87 HydrophobicContact CG-CD1 4.06Å; L83-L87 HydrophobicContact CG-CG 4.39Å; L83-L87 WeakPolarHBondContact O-CB 3.23Å; L83-L87 VanDerWaalsContact O-CG 3.23Å; L83-L87 WeakPolarHBondContact O-CG 3.23Å; L83-L87 PolarHBondContact O-N 3.33Å; R84-L87 PolarHBondContact O-N 3.03Å; R85-L87 VanDerWaalsContact C-N 3.32Å; R85-L87 PolarHBondContact O-N 3.38Å; L87-F89 PolarHBondContact O-N 3.28Å; L87-A90 PolarHBondContact O-N 3.02Å; L87-Y91 VanDerWaalsContact O-CD2 3.25Å; L87-Y91 WeakPolarHBondContact O-CD2 3.5Å; L87-Y91 PolarHBondContact O-N 3.34Å
88D92.5Very high90.9Very high29 Ų2942.7 Ų42.716%0.15523%0.23CC..Hα-helixtrans-61.3-38.2172.8-61.5-17.8000110.3R26 R84 R85 Y91 L92R26-D88 IonicContact NH1-OD1 3.26Å; R26-D88 PolarHBondContact NH1-OD1 3.47Å; R84-D88 PolarHBondContact O-N 3.23Å; R85-D88 IonicContact CZ-OD2 3.5Å; R85-D88 IonicContact NE-OD2 4Å; R85-D88 PolarHBondContact NE-OD2 2.65Å; R85-D88 IonicContact NH2-OD2 3.52Å; R85-D88 PolarHBondContact NH2-OD2 2.86Å; R85-D88 PolarHBondContact O-N 2.93Å; D88-Y91 PolarHBondContact O-N 3.05Å; D88-L92 WeakPolarHBondContact O-CA 3.31Å; D88-L92 VanDerWaalsContact O-CB 3.26Å; D88-L92 WeakPolarHBondContact O-CB 3.26Å; D88-L92 PolarHBondContact O-N 2.8Å
89F94.7Very high90.8Very high31 Ų3149 Ų4914%0.13626%0.26CS..Hα-helixtrans-63.8-45.6171.9-179.2-110000112.6R85 L86 L87 Y91 G93 C94 L95 Y114 I116 A117R85-F89 WeakPolarHBondContact O-CB 3.25Å; R85-F89 PolarHBondContact O-N 3.45Å; L86-F89 WeakPolarHBondContact O-CB 3.4Å; L86-F89 PolarHBondContact O-N 2.92Å; L87-F89 PolarHBondContact O-N 3.28Å; F89-Y91 VanDerWaalsContact C-N 3.3Å; F89-Y91 PolarHBondContact O-N 3.39Å; F89-G93 VanDerWaalsContact O-CA 3.23Å; F89-G93 WeakPolarHBondContact O-CA 3.29Å; F89-G93 PolarHBondContact O-N 2.98Å; F89-C94 VanDerWaalsContact CA-O 3.31Å; F89-C94 WeakPolarHBondContact CA-O 3.46Å; F89-C94 PolarHBondContact N-O 3.47Å; F89-L95 HydrophobicContact CB-CB 4.35Å; F89-L95 HydrophobicContact CB-CD1 4.3Å; F89-L95 HydrophobicContact CD2-CB 3.74Å; F89-L95 HydrophobicContact CE2-CB 4.42Å; F89-L95 HydrophobicContact CG-CB 4.29Å; F89-Y114 HydrophobicContact CD1-CD1 4.01Å; F89-Y114 HydrophobicContact CD1-CE1 4.44Å; F89-Y114 HydrophobicContact CE1-CD1 4.1Å; F89-I116 HydrophobicContact CE1-CB 4.43Å; F89-I116 HydrophobicContact CZ-CB 3.95Å; F89-I116 HydrophobicContact CZ-CG2 3.77Å; F89-A117 HydrophobicContact CD1-CB 4.31Å; F89-A117 HydrophobicContact CE1-CB 4.11Å
90A95Very high90.9Very high21 Ų2151.5 Ų51.517%0.17428%0.283CS..Hα-helixtrans-62.9-34.6178.800000113.2L86 L87 Y114L86-A90 WeakPolarHBondContact O-CB 3.39Å; L86-A90 PolarHBondContact O-N 3.2Å; L87-A90 PolarHBondContact O-N 3.02Å; A90-Y114 HydrophobicContact CB-CE1 4.15Å
91Y94.8Very high90.8Very high4 Ų450.7 Ų50.72%0.01628%0.277CS..Hα-helixtrans-90.7-38.3-178.5-82.2-104.8000113.4T19 L22 Q23 R26 H46 V49 L87 D88 F89T19-Y91 WeakPolarHBondContact CB-O 3.36Å; L22-Y91 HydrophobicContact CB-CD1 4.06Å; L22-Y91 HydrophobicContact CB-CE1 4.23Å; Q23-Y91 HydrophobicContact CB-CD1 4.46Å; R26-Y91 HydrophobicContact CB-CD1 4.41Å; R26-Y91 HydrophobicContact CB-CE1 3.91Å; R26-Y91 HydrophobicContact CG-CE1 4.42Å; H46-Y91 PolarHBondContact N-OH 3.41Å; H46-Y91 AromaticContact ND1-CE1 3.48Å; H46-Y91 WeakPolarHBondContact ND1-CE1 2.93Å; H46-Y91 AromaticContact ND1-CZ 3.58Å; H46-Y91 PolarHBondContact ND1-OH 3.38Å; V49-Y91 HydrophobicContact CB-CE1 4.22Å; V49-Y91 HydrophobicContact CB-CE2 4.15Å; V49-Y91 HydrophobicContact CG1-CD1 4.16Å; V49-Y91 HydrophobicContact CG1-CD2 3.81Å; V49-Y91 HydrophobicContact CG1-CE1 3.96Å; V49-Y91 HydrophobicContact CG1-CE2 3.59Å; V49-Y91 HydrophobicContact CG1-CG 4.1Å; V49-Y91 HydrophobicContact CG2-CE1 4.02Å; L87-Y91 VanDerWaalsContact O-CD2 3.25Å; L87-Y91 WeakPolarHBondContact O-CD2 3.5Å; L87-Y91 PolarHBondContact O-N 3.34Å; D88-Y91 PolarHBondContact O-N 3.05Å; F89-Y91 VanDerWaalsContact C-N 3.3Å; F89-Y91 PolarHBondContact O-N 3.39Å
92L92.4Very high90.9Very high66 Ų6646.6 Ų46.635%0.34626%0.263SS..Hα-helixtrans-114.7-13.4-169.5-59.5175.1000113.9Q23 D88 C94Q23-L92 HydrophobicContact CB-CD2 3.65Å; Q23-L92 HydrophobicContact CB-CG 4.25Å; Q23-L92 HydrophobicContact CG-CD1 4.12Å; Q23-L92 HydrophobicContact CG-CD2 3.96Å; Q23-L92 HydrophobicContact CG-CG 4.16Å; D88-L92 WeakPolarHBondContact O-CA 3.31Å; D88-L92 VanDerWaalsContact O-CB 3.26Å; D88-L92 WeakPolarHBondContact O-CB 3.26Å; D88-L92 PolarHBondContact O-N 2.8Å; L92-C94 HydrophobicContact CB-CB 4.35Å; L92-C94 PolarHBondContact O-N 3.3Å
93G90.1Very high90.9Very high55 Ų5552.1 Ų52.157%0.56729%0.289SS*.SBendtrans7212.3-17100000113.8F89F89-G93 VanDerWaalsContact O-CA 3.23Å; F89-G93 WeakPolarHBondContact O-CA 3.29Å; F89-G93 PolarHBondContact O-N 2.98Å
94C89.9Confident90.6Very high83 Ų8355.8 Ų55.856%0.56131%0.308SS*.  trans-103.8126.1-178.4-64.30000110.6F89 L92F89-C94 VanDerWaalsContact CA-O 3.31Å; F89-C94 WeakPolarHBondContact CA-O 3.46Å; F89-C94 PolarHBondContact N-O 3.47Å; L92-C94 HydrophobicContact CB-CB 4.35Å; L92-C94 PolarHBondContact O-N 3.3Å
95L91.8Very high90.8Very high39 Ų3950.5 Ų50.520%0.20429%0.288CS..  trans-130.1117.9174.3-173.763.7000109.4R85 F89 I97 I105 A117R85-L95 HydrophobicContact CB-CD1 4.21Å; F89-L95 HydrophobicContact CB-CB 4.35Å; F89-L95 HydrophobicContact CB-CD1 4.3Å; F89-L95 HydrophobicContact CD2-CB 3.74Å; F89-L95 HydrophobicContact CE2-CB 4.42Å; F89-L95 HydrophobicContact CG-CB 4.29Å; L95-I97 HydrophobicContact CD2-CD1 3.94Å; L95-I97 HydrophobicContact CD2-CG1 4.1Å; L95-I97 HydrophobicContact CG-CD1 4.27Å; L95-I97 HydrophobicContact CG-CG1 3.9Å; L95-I105 HydrophobicContact CD1-CD1 4.44Å; L95-I105 HydrophobicContact CD1-CG2 3.96Å; L95-I105 HydrophobicContact CD2-CG2 4.15Å; L95-I105 HydrophobicContact CG-CG2 4.48Å; L95-A117 HydrophobicContact CD2-CB 3.72Å
96E87.6Confident90.8Very high119 Ų11947.8 Ų47.856%0.55628%0.278SS*.  trans-94117.8175.6-174.5-179.4-169.300108.7R85 I105R85-E96 IonicContact NH1-OE2 2.72Å; R85-E96 PolarHBondContact NH1-OE2 3.4Å; E96-I105 WeakPolarHBondContact O-CD1 3.46Å
97I88.5Confident90.8Very high34 Ų3450.9 Ų50.917%0.17430%0.295CS..  trans-117.8130.9-177.6-53.1176000108.4L95 V102 I105 F124L95-I97 HydrophobicContact CD2-CD1 3.94Å; L95-I97 HydrophobicContact CD2-CG1 4.1Å; L95-I97 HydrophobicContact CG-CD1 4.27Å; L95-I97 HydrophobicContact CG-CG1 3.9Å; I97-V102 HydrophobicContact CG2-CB 3.71Å; I97-V102 HydrophobicContact CG2-CG2 3.68Å; I97-I105 HydrophobicContact CG1-CD1 4.32Å; I97-F124 HydrophobicContact CB-CD2 4.29Å; I97-F124 HydrophobicContact CB-CG 4.47Å; I97-F124 HydrophobicContact CG2-CB 4.13Å; I97-F124 HydrophobicContact CG2-CD1 3.81Å; I97-F124 HydrophobicContact CG2-CD2 3.92Å; I97-F124 HydrophobicContact CG2-CE1 4.2Å; I97-F124 HydrophobicContact CG2-CE2 4.3Å; I97-F124 HydrophobicContact CG2-CG 3.66Å; I97-F124 HydrophobicContact CG2-CZ 4.44Å
98T87.5Confident90.7Very high56 Ų5651 Ų5134%0.34430%0.296SS..  trans-131.1162.1174.368.90000110.2A100 T101 V102T98-A100 PolarHBondContact O-N 2.92Å; T98-T101 PolarHBondContact N-OG1 3.33Å; T98-T101 VanDerWaalsContact N-OG1 3.12Å; T98-T101 PolarHBondContact O-N 3.23Å; T98-T101 PolarHBondContact O-OG1 3.37Å; T98-T101 WeakPolarHBondContact OG1-CG2 3.4Å; T98-T101 PolarHBondContact OG1-OG1 2.78Å; T98-V102 WeakPolarHBondContact O-CB 3.5Å; T98-V102 PolarHBondContact O-N 3.41Å
99E86.4Confident90.9Very high144 Ų14449.6 Ų49.667%0.67329%0.288SS*.THydrogen-bonded Turntrans-54.4-38177.1-66.2176-176.700112.5T101 F124 H128E99-T101 VanDerWaalsContact C-N 3.3Å; E99-T101 PolarHBondContact O-N 3.02Å; E99-F124 HydrophobicContact CG-CE1 4.14Å; E99-F124 HydrophobicContact CG-CZ 4.12Å; E99-H128 IonicContact OE1-CD2 3.43Å; E99-H128 PolarHBondContact OE1-CD2 2.93Å
100A85.1Confident90.8Very high92 Ų9250.3 Ų50.376%0.7630%0.297SS*.THydrogen-bonded Turntrans-75.2-15-179.600000114.3T98T98-A100 PolarHBondContact O-N 2.92Å
101T86Confident90.7Very high22 Ų2253.1 Ų53.114%0.13531%0.309CS..THydrogen-bonded Turntrans-123.3-15.9-16960.30000114.1W81 T98 E99 Q103 D104 I105W81-T101 HydrophobicContact CE3-CG2 4.41Å; W81-T101 HydrophobicContact CH2-CG2 3.34Å; W81-T101 HydrophobicContact CZ2-CG2 3.78Å; W81-T101 VanDerWaalsContact CZ3-CB 3.46Å; W81-T101 HydrophobicContact CZ3-CG2 3.71Å; T98-T101 PolarHBondContact N-OG1 3.33Å; T98-T101 VanDerWaalsContact N-OG1 3.12Å; T98-T101 PolarHBondContact O-N 3.23Å; T98-T101 PolarHBondContact O-OG1 3.37Å; T98-T101 WeakPolarHBondContact OG1-CG2 3.4Å; T98-T101 PolarHBondContact OG1-OG1 2.78Å; E99-T101 VanDerWaalsContact C-N 3.3Å; E99-T101 PolarHBondContact O-N 3.02Å; T101-Q103 VanDerWaalsContact C-N 3.29Å; T101-Q103 PolarHBondContact O-N 3.22Å; T101-D104 PolarHBondContact O-N 3.22Å; T101-I105 WeakPolarHBondContact O-CG1 3.46Å; T101-I105 PolarHBondContact O-N 2.93Å; T101-I105 VanDerWaalsContact O-N 3.1Å
102V91.4Very high90.7Very high13 Ų1353 Ų538%0.07931%0.308CS..Hα-helixtrans-56.6-39.9-173.563.50000113I97 T98 I105 F106 C121 F124 M125I97-V102 HydrophobicContact CG2-CB 3.71Å; I97-V102 HydrophobicContact CG2-CG2 3.68Å; T98-V102 WeakPolarHBondContact O-CB 3.5Å; T98-V102 PolarHBondContact O-N 3.41Å; V102-I105 PolarHBondContact O-N 3.07Å; V102-F106 WeakPolarHBondContact O-CB 3.3Å; V102-F106 PolarHBondContact O-N 3.49Å; V102-C121 HydrophobicContact CG2-CB 4.1Å; V102-F124 HydrophobicContact CB-CD1 4.06Å; V102-F124 HydrophobicContact CB-CE1 4.32Å; V102-F124 HydrophobicContact CG1-CD1 4.34Å; V102-F124 HydrophobicContact CG1-CE1 4.41Å; V102-F124 HydrophobicContact CG2-CD1 3.9Å; V102-M125 HydrophobicContact CG1-CG 4.25Å; V102-M125 HydrophobicContact CG2-CG 3.79Å; V102-M125 HydrophobicContact CG2-SD 4.41Å
103Q88.9Confident90.8Very high116 Ų11653.2 Ų53.254%0.54231%0.31SS..Hα-helixtrans-64.5-45.8-180-177.2174.9-8.800111.8T101 F106 L107 L140T101-Q103 VanDerWaalsContact C-N 3.29Å; T101-Q103 PolarHBondContact O-N 3.22Å; Q103-F106 PolarHBondContact O-N 3.27Å; Q103-L107 HydrophobicContact CG-CD1 4.12Å; Q103-L107 WeakPolarHBondContact O-CB 3.17Å; Q103-L107 VanDerWaalsContact O-CG 3.31Å; Q103-L107 WeakPolarHBondContact O-CG 3.27Å; Q103-L107 PolarHBondContact O-N 3.27Å; Q103-L140 HydrophobicContact CG-CD2 4.24Å
104D88.8Confident91.1Very high77 Ų7750.9 Ų50.941%0.41228%0.284SS..Hα-helixtrans-64.1-42.7178.6-72.3-22.3000111.7A82 T101 A108A82-D104 HydrophobicContact CB-CB 4.18Å; T101-D104 PolarHBondContact O-N 3.22Å; D104-A108 VanDerWaalsContact O-CB 3.27Å; D104-A108 WeakPolarHBondContact O-CB 3.37Å; D104-A108 PolarHBondContact O-N 3.31Å
105I93.9Very high91.3Very high0 Ų050.9 Ų50.90%028%0.283CS..Hα-helixtrans-63.1-46.1176.3-61.9172.7000110W81 L86 L95 E96 I97 T101 V102 A108 A109W81-I105 HydrophobicContact CH2-CD1 3.88Å; W81-I105 HydrophobicContact CH2-CG1 4.23Å; W81-I105 HydrophobicContact CZ3-CD1 3.81Å; W81-I105 HydrophobicContact CZ3-CG1 3.62Å; L86-I105 HydrophobicContact CD2-CG2 4.31Å; L95-I105 HydrophobicContact CD1-CD1 4.44Å; L95-I105 HydrophobicContact CD1-CG2 3.96Å; L95-I105 HydrophobicContact CD2-CG2 4.15Å; L95-I105 HydrophobicContact CG-CG2 4.48Å; E96-I105 WeakPolarHBondContact O-CD1 3.46Å; I97-I105 HydrophobicContact CG1-CD1 4.32Å; T101-I105 WeakPolarHBondContact O-CG1 3.46Å; T101-I105 PolarHBondContact O-N 2.93Å; T101-I105 VanDerWaalsContact O-N 3.1Å; V102-I105 PolarHBondContact O-N 3.07Å; I105-A108 PolarHBondContact O-N 3.46Å; I105-A109 WeakPolarHBondContact O-CB 3.09Å; I105-A109 PolarHBondContact O-N 3.44Å
106F93.7Very high91.4Very high1 Ų153.8 Ų53.80%0.00430%0.297CS..Hα-helixtrans-61.9-47.9-178.4173.9-90.3000111.7V102 Q103 A108 A109 S110 I118 C121 V122 M125 L140 H144 I146V102-F106 WeakPolarHBondContact O-CB 3.3Å; V102-F106 PolarHBondContact O-N 3.49Å; Q103-F106 PolarHBondContact O-N 3.27Å; F106-A108 PolarHBondContact O-N 2.89Å; F106-A109 PolarHBondContact O-N 2.96Å; F106-S110 WeakPolarHBondContact O-CB 3.22Å; F106-S110 PolarHBondContact O-N 3.03Å; F106-I118 HydrophobicContact CD2-CG2 4.34Å; F106-I118 HydrophobicContact CE2-CG2 3.82Å; F106-C121 HydrophobicContact CB-CB 3.98Å; F106-C121 HydrophobicContact CD2-CB 3.83Å; F106-C121 HydrophobicContact CG-CB 4.39Å; F106-V122 HydrophobicContact CD2-CG2 4.46Å; F106-V122 HydrophobicContact CE2-CG2 3.91Å; F106-M125 HydrophobicContact CD2-CE 3.68Å; F106-M125 HydrophobicContact CE2-CE 4.01Å; F106-M125 HydrophobicContact CG-CE 4.05Å; F106-L140 HydrophobicContact CD1-CD1 3.96Å; F106-L140 HydrophobicContact CD1-CD2 3.74Å; F106-L140 HydrophobicContact CD1-CG 3.94Å; F106-L140 HydrophobicContact CE1-CD1 3.87Å; F106-L140 HydrophobicContact CE1-CD2 4.01Å; F106-L140 HydrophobicContact CE1-CG 3.73Å; F106-L140 HydrophobicContact CG-CD2 4.4Å; F106-H144 HydrophobicContact CE1-CB 4.19Å; F106-H144 AromaticContact CE1-CD2 3.51Å; F106-H144 AromaticContact CE1-CE1 3.94Å; F106-H144 AromaticContact CE1-CG 3.6Å; F106-H144 AromaticContact CE1-ND1 3.87Å; F106-H144 AromaticContact CE1-NE2 3.73Å; F106-H144 HydrophobicContact CZ-CB 3.87Å; F106-H144 AromaticContact CZ-CG 3.76Å; F106-I146 HydrophobicContact CE2-CD1 3.51Å; F106-I146 HydrophobicContact CZ-CD1 3.4Å; F106-I146 VanDerWaalsContact CZ-CD1 3.4Å
107L92.7Very high91.8Very high66 Ų6648.1 Ų48.135%0.34627%0.271SS..Hα-helixtrans-61.1-44.6177.5-71.1173.9000111.4Q103 S110 L111 L140Q103-L107 HydrophobicContact CG-CD1 4.12Å; Q103-L107 WeakPolarHBondContact O-CB 3.17Å; Q103-L107 VanDerWaalsContact O-CG 3.31Å; Q103-L107 WeakPolarHBondContact O-CG 3.27Å; Q103-L107 PolarHBondContact O-N 3.27Å; L107-S110 PolarHBondContact O-N 3.12Å; L107-L111 WeakPolarHBondContact O-CB 3.44Å; L107-L111 PolarHBondContact O-N 2.99Å; L107-L140 HydrophobicContact CD2-CD1 3.74Å; L107-L140 HydrophobicContact CG-CD1 4.33Å
108A93.5Very high92.1Very high3 Ų348.3 Ų48.33%0.02527%0.272CS..Hα-helixtrans-65.3-41.1176.900000112.2I78 A82 L86 D104 I105 F106 L111 L112I78-A108 HydrophobicContact CG2-CB 3.73Å; A82-A108 HydrophobicContact CB-CB 3.81Å; L86-A108 HydrophobicContact CD1-CB 3.52Å; D104-A108 VanDerWaalsContact O-CB 3.27Å; D104-A108 WeakPolarHBondContact O-CB 3.37Å; D104-A108 PolarHBondContact O-N 3.31Å; I105-A108 PolarHBondContact O-N 3.46Å; F106-A108 PolarHBondContact O-N 2.89Å; A108-L111 PolarHBondContact O-N 3.27Å; A108-L112 WeakPolarHBondContact O-CB 3.46Å; A108-L112 WeakPolarHBondContact O-CG 3.47Å; A108-L112 PolarHBondContact O-N 2.88Å
109A95.4Very high92.4Very high0 Ų051.2 Ų51.20%028%0.28CS..Hα-helixtrans-66.8-38.7178.900000111.4L86 I105 F106 D113 Y114 A117 I118L86-A109 HydrophobicContact CD1-CB 4.36Å; L86-A109 HydrophobicContact CD2-CB 4.03Å; I105-A109 WeakPolarHBondContact O-CB 3.09Å; I105-A109 PolarHBondContact O-N 3.44Å; F106-A109 PolarHBondContact O-N 2.96Å; A109-D113 WeakPolarHBondContact O-CA 3.49Å; A109-D113 PolarHBondContact O-N 2.76Å; A109-Y114 PolarHBondContact O-N 3.4Å; A109-A117 HydrophobicContact CB-CB 3.92Å; A109-I118 HydrophobicContact CB-CG1 3.83Å
110S93.4Very high92.8Very high46 Ų4649.9 Ų49.932%0.32227%0.27SS..Hα-helixtrans-66.2-39.5174.5-172.50000112.1F106 L107 H144F106-S110 WeakPolarHBondContact O-CB 3.22Å; F106-S110 PolarHBondContact O-N 3.03Å; L107-S110 PolarHBondContact O-N 3.12Å; S110-H144 PolarHBondContact OG-CE1 3.02Å; S110-H144 VanDerWaalsContact OG-CE1 3.23Å; S110-H144 PolarHBondContact OG-ND1 3.28Å
111L93.1Very high93.3Very high80 Ų8045.5 Ų45.542%0.41923%0.233SC..Hα-helixtrans-72.1-40.5179.1179.858.9000112.3I78 L107 A108 D113I78-L111 HydrophobicContact CD1-CD2 3.78Å; I78-L111 HydrophobicContact CD1-CG 4.35Å; I78-L111 HydrophobicContact CG1-CD2 3.65Å; L107-L111 WeakPolarHBondContact O-CB 3.44Å; L107-L111 PolarHBondContact O-N 2.99Å; A108-L111 PolarHBondContact O-N 3.27Å; L111-D113 VanDerWaalsContact C-N 3.33Å
112L94.3Very high93.8Very high0 Ų045.8 Ų45.80%024%0.235CC..THydrogen-bonded Turntrans-90.98.2-178.1-61.6180000113.7S54 Y56 F57 L75 I78 L83 L86 A108 Y114S54-L112 WeakPolarHBondContact CB-O 3.46Å; S54-L112 PolarHBondContact OG-O 3.27Å; Y56-L112 WeakPolarHBondContact CB-O 3.36Å; Y56-L112 HydrophobicContact CD1-CD2 3.74Å; Y56-L112 HydrophobicContact CE1-CD2 3.64Å; Y56-L112 HydrophobicContact CG-CD2 4.49Å; F57-L112 HydrophobicContact CE1-CD2 4.42Å; F57-L112 HydrophobicContact CE2-CD1 4.32Å; F57-L112 HydrophobicContact CE2-CD2 4.29Å; F57-L112 HydrophobicContact CZ-CD1 4.17Å; F57-L112 HydrophobicContact CZ-CD2 3.81Å; F57-L112 HydrophobicContact CZ-CG 4.49Å; L75-L112 HydrophobicContact CD2-CD2 4.37Å; I78-L112 HydrophobicContact CD1-CD1 3.63Å; I78-L112 HydrophobicContact CD1-CD2 3.62Å; I78-L112 HydrophobicContact CD1-CG 3.51Å; L83-L112 HydrophobicContact CD1-CD1 3.82Å; L86-L112 HydrophobicContact CD1-CD1 4.05Å; A108-L112 WeakPolarHBondContact O-CB 3.46Å; A108-L112 WeakPolarHBondContact O-CG 3.47Å; A108-L112 PolarHBondContact O-N 2.88Å; L112-Y114 HydrophobicContact CB-CD2 3.75Å; L112-Y114 HydrophobicContact CB-CE2 3.76Å; L112-Y114 HydrophobicContact CD1-CE2 4.38Å
113D94.5Very high93.9Very high72 Ų7249.9 Ų49.939%0.38525%0.253SS..THydrogen-bonded Turntrans54.159.7177.5-162.29.6000113.9A55 A109 L111 P115A55-D113 WeakPolarHBondContact CB-OD2 3.27Å; A109-D113 WeakPolarHBondContact O-CA 3.49Å; A109-D113 PolarHBondContact O-N 2.76Å; L111-D113 VanDerWaalsContact C-N 3.33Å; D113-P115 VanDerWaalsContact C-CD 3.44Å; D113-P115 WeakPolarHBondContact O-CD 3.24Å
114Y96Very high94.2Very high6 Ų646.2 Ų46.22%0.02424%0.236CC..  trans-107.378.3171.1-76.3-81.1000111S53 F57 L86 F89 A90 A109 L112 I116 A117 I118S53-Y114 PolarHBondContact OG-OH 3.43Å; F57-Y114 HydrophobicContact CE2-CE2 4.3Å; L86-Y114 HydrophobicContact CB-CE2 4.4Å; L86-Y114 HydrophobicContact CD1-CD2 4.28Å; L86-Y114 HydrophobicContact CD2-CD2 4.32Å; L86-Y114 HydrophobicContact CD2-CG 4.46Å; F89-Y114 HydrophobicContact CD1-CD1 4.01Å; F89-Y114 HydrophobicContact CD1-CE1 4.44Å; F89-Y114 HydrophobicContact CE1-CD1 4.1Å; A90-Y114 HydrophobicContact CB-CE1 4.15Å; A109-Y114 PolarHBondContact O-N 3.4Å; L112-Y114 HydrophobicContact CB-CD2 3.75Å; L112-Y114 HydrophobicContact CB-CE2 3.76Å; L112-Y114 HydrophobicContact CD1-CE2 4.38Å; Y114-I116 VanDerWaalsContact C-N 3.27Å; Y114-I116 PolarHBondContact O-N 3.43Å; Y114-A117 WeakPolarHBondContact O-CB 3.38Å; Y114-A117 PolarHBondContact O-N 3.21Å; Y114-I118 WeakPolarHBondContact O-CG1 3.49Å; Y114-I118 PolarHBondContact O-N 3.09Å
115P94.2Very high94.4Very high82 Ų8242.9 Ų42.953%0.53222%0.218SC..Hα-helixtrans-60.6-32.1-172.822.4-34.3000114D113 I118 K119D113-P115 VanDerWaalsContact C-CD 3.44Å; D113-P115 WeakPolarHBondContact O-CD 3.24Å; P115-I118 PolarHBondContact O-N 2.86Å; P115-K119 PolarHBondContact O-N 3.36Å
116I94.9Very high94.4Very high100 Ų10048 Ų4851%0.51324%0.24SC..Hα-helixtrans-69-41.8176.9-58.6174.1000110.7F89 Y114 K119 Y120F89-I116 HydrophobicContact CE1-CB 4.43Å; F89-I116 HydrophobicContact CZ-CB 3.95Å; F89-I116 HydrophobicContact CZ-CG2 3.77Å; Y114-I116 VanDerWaalsContact C-N 3.27Å; Y114-I116 PolarHBondContact O-N 3.43Å; I116-K119 WeakPolarHBondContact O-CB 3.4Å; I116-K119 PolarHBondContact O-N 3.33Å; I116-Y120 HydrophobicContact CG2-CD2 3.95Å; I116-Y120 HydrophobicContact CG2-CE2 3.7Å; I116-Y120 VanDerWaalsContact O-CD2 3.22Å; I116-Y120 WeakPolarHBondContact O-CD2 3.36Å; I116-Y120 PolarHBondContact O-N 2.85Å
117A95.2Very high94.4Very high0 Ų052 Ų520%027%0.268CS..Hα-helixtrans-64.1-43.1175.800000110.8L86 F89 L95 A109 Y114 K119 Y120 C121L86-A117 HydrophobicContact CD2-CB 4.02Å; F89-A117 HydrophobicContact CD1-CB 4.31Å; F89-A117 HydrophobicContact CE1-CB 4.11Å; L95-A117 HydrophobicContact CD2-CB 3.72Å; A109-A117 HydrophobicContact CB-CB 3.92Å; Y114-A117 WeakPolarHBondContact O-CB 3.38Å; Y114-A117 PolarHBondContact O-N 3.21Å; A117-K119 VanDerWaalsContact C-N 3.33Å; A117-K119 PolarHBondContact O-N 3.24Å; A117-Y120 PolarHBondContact O-N 3.27Å; A117-C121 PolarHBondContact O-N 3.04Å; A117-C121 PolarHBondContact O-SG 2.94Å; A117-C121 VanDerWaalsContact O-SG 3.34Å
118I95Very high94.3Very high39 Ų3952.3 Ų52.320%0.227%0.268CS..Hα-helixtrans-55.2-48.3174.3-64.1171.3000110.5F106 A109 Y114 P115 Y120 C121 V122F106-I118 HydrophobicContact CD2-CG2 4.34Å; F106-I118 HydrophobicContact CE2-CG2 3.82Å; A109-I118 HydrophobicContact CB-CG1 3.83Å; Y114-I118 WeakPolarHBondContact O-CG1 3.49Å; Y114-I118 PolarHBondContact O-N 3.09Å; P115-I118 PolarHBondContact O-N 2.86Å; I118-Y120 VanDerWaalsContact C-N 3.35Å; I118-Y120 PolarHBondContact O-N 3.34Å; I118-C121 PolarHBondContact O-N 3.31Å; I118-V122 HydrophobicContact CG2-CG2 4.33Å; I118-V122 VanDerWaalsContact O-CG2 3.3Å; I118-V122 WeakPolarHBondContact O-CG2 3.33Å; I118-V122 PolarHBondContact O-N 2.83Å
119K94.9Very high94.1Very high116 Ų11654 Ų5450%0.50428%0.276SS..Hα-helixtrans-53.6-50177.8-179.8-172.3171.5-173.80111.8P115 I116 A117 V122 E123P115-K119 PolarHBondContact O-N 3.36Å; I116-K119 WeakPolarHBondContact O-CB 3.4Å; I116-K119 PolarHBondContact O-N 3.33Å; A117-K119 VanDerWaalsContact C-N 3.33Å; A117-K119 PolarHBondContact O-N 3.24Å; K119-V122 PolarHBondContact O-N 3.48Å; K119-E123 WeakPolarHBondContact CE-OE1 3.17Å; K119-E123 IonicContact NZ-OE1 3.93Å; K119-E123 WeakPolarHBondContact O-CG 3.31Å; K119-E123 PolarHBondContact O-N 3.08Å
120Y94.9Very high93.9Very high117 Ų11757.6 Ų57.646%0.45930%0.295SS..Hα-helixtrans-69.1-35.9-179.3-75.8-66.5000113I116 A117 I118 V122 E123 F124I116-Y120 HydrophobicContact CG2-CD2 3.95Å; I116-Y120 HydrophobicContact CG2-CE2 3.7Å; I116-Y120 VanDerWaalsContact O-CD2 3.22Å; I116-Y120 WeakPolarHBondContact O-CD2 3.36Å; I116-Y120 PolarHBondContact O-N 2.85Å; A117-Y120 PolarHBondContact O-N 3.27Å; I118-Y120 VanDerWaalsContact C-N 3.35Å; I118-Y120 PolarHBondContact O-N 3.34Å; Y120-V122 VanDerWaalsContact C-N 3.33Å; Y120-V122 PolarHBondContact O-N 3.45Å; Y120-E123 PolarHBondContact O-N 3.5Å; Y120-F124 VanDerWaalsContact O-CB 3.32Å; Y120-F124 WeakPolarHBondContact O-CB 3.48Å; Y120-F124 PolarHBondContact O-N 2.9Å
121C95Very high93.6Very high0 Ų056.1 Ų56.10%028%0.284CS..Hα-helixtrans-61-42.1171.8-710000111.6V102 F106 A117 I118 F124 M125V102-C121 HydrophobicContact CG2-CB 4.1Å; F106-C121 HydrophobicContact CB-CB 3.98Å; F106-C121 HydrophobicContact CD2-CB 3.83Å; F106-C121 HydrophobicContact CG-CB 4.39Å; A117-C121 PolarHBondContact O-N 3.04Å; A117-C121 PolarHBondContact O-SG 2.94Å; A117-C121 VanDerWaalsContact O-SG 3.34Å; I118-C121 PolarHBondContact O-N 3.31Å; C121-F124 PolarHBondContact O-N 2.7Å; C121-M125 HydrophobicContact CB-CE 4.42Å; C121-M125 WeakPolarHBondContact O-CB 3.49Å; C121-M125 WeakPolarHBondContact O-CE 3.15Å; C121-M125 WeakPolarHBondContact O-CG 3.35Å; C121-M125 PolarHBondContact O-N 3.17Å
122V95.3Very high93.5Very high28 Ų2855.5 Ų55.517%0.1728%0.284CS..Hα-helixtrans-65.9-44.7177.4171.50000111.7F106 I118 K119 Y120 F124 M125 K126 I146 L149F106-V122 HydrophobicContact CD2-CG2 4.46Å; F106-V122 HydrophobicContact CE2-CG2 3.91Å; I118-V122 HydrophobicContact CG2-CG2 4.33Å; I118-V122 VanDerWaalsContact O-CG2 3.3Å; I118-V122 WeakPolarHBondContact O-CG2 3.33Å; I118-V122 PolarHBondContact O-N 2.83Å; K119-V122 PolarHBondContact O-N 3.48Å; Y120-V122 VanDerWaalsContact C-N 3.33Å; Y120-V122 PolarHBondContact O-N 3.45Å; V122-F124 VanDerWaalsContact C-N 3.31Å; V122-F124 PolarHBondContact O-N 2.94Å; V122-M125 HydrophobicContact CG2-CE 4.27Å; V122-M125 PolarHBondContact O-N 3.45Å; V122-K126 WeakPolarHBondContact O-CB 3.5Å; V122-K126 PolarHBondContact O-N 3.39Å; V122-I146 HydrophobicContact CG1-CG2 4.16Å; V122-I146 HydrophobicContact CG2-CD1 3.66Å; V122-I146 HydrophobicContact CG2-CG2 4.29Å; V122-L149 HydrophobicContact CG1-CB 4.43Å; V122-L149 HydrophobicContact CG1-CD2 4.29Å
123E94.9Very high93.4Very high98 Ų9857.8 Ų57.846%0.45830%0.296SS..Hα-helixtrans-60.4-41.8175.1-74.3178.7176.100111.3K119 Y120 K126 S127K119-E123 WeakPolarHBondContact CE-OE1 3.17Å; K119-E123 IonicContact NZ-OE1 3.93Å; K119-E123 WeakPolarHBondContact O-CG 3.31Å; K119-E123 PolarHBondContact O-N 3.08Å; Y120-E123 PolarHBondContact O-N 3.5Å; E123-K126 PolarHBondContact O-N 3.47Å; E123-S127 PolarHBondContact O-N 3.12Å; E123-S127 PolarHBondContact O-OG 3.12Å
124F94.4Very high93.3Very high40 Ų4054.4 Ų54.418%0.17528%0.278CS..Hα-helixtrans-64.4-46.4176.7-174.3-84.7000112.5I97 E99 V102 Y120 C121 V122 K126 S127 H128I97-F124 HydrophobicContact CB-CD2 4.29Å; I97-F124 HydrophobicContact CB-CG 4.47Å; I97-F124 HydrophobicContact CG2-CB 4.13Å; I97-F124 HydrophobicContact CG2-CD1 3.81Å; I97-F124 HydrophobicContact CG2-CD2 3.92Å; I97-F124 HydrophobicContact CG2-CE1 4.2Å; I97-F124 HydrophobicContact CG2-CE2 4.3Å; I97-F124 HydrophobicContact CG2-CG 3.66Å; I97-F124 HydrophobicContact CG2-CZ 4.44Å; E99-F124 HydrophobicContact CG-CE1 4.14Å; E99-F124 HydrophobicContact CG-CZ 4.12Å; V102-F124 HydrophobicContact CB-CD1 4.06Å; V102-F124 HydrophobicContact CB-CE1 4.32Å; V102-F124 HydrophobicContact CG1-CD1 4.34Å; V102-F124 HydrophobicContact CG1-CE1 4.41Å; V102-F124 HydrophobicContact CG2-CD1 3.9Å; Y120-F124 VanDerWaalsContact O-CB 3.32Å; Y120-F124 WeakPolarHBondContact O-CB 3.48Å; Y120-F124 PolarHBondContact O-N 2.9Å; C121-F124 PolarHBondContact O-N 2.7Å; V122-F124 VanDerWaalsContact C-N 3.31Å; V122-F124 PolarHBondContact O-N 2.94Å; F124-K126 VanDerWaalsContact C-N 3.3Å; F124-K126 PolarHBondContact O-N 3.1Å; F124-S127 PolarHBondContact O-N 3.1Å; F124-S127 PolarHBondContact O-OG 3.03Å; F124-S127 VanDerWaalsContact O-OG 3.04Å; F124-H128 AromaticContact CD1-ND1 3.88Å; F124-H128 AromaticContact CD2-CE1 3.72Å; F124-H128 AromaticContact CD2-ND1 3.89Å; F124-H128 AromaticContact CE1-ND1 3.75Å; F124-H128 AromaticContact CE2-CE1 3.37Å; F124-H128 WeakPolarHBondContact CE2-CE1 3.42Å; F124-H128 AromaticContact CE2-ND1 3.77Å; F124-H128 AromaticContact CG-ND1 3.94Å; F124-H128 AromaticContact CZ-CE1 3.58Å; F124-H128 AromaticContact CZ-ND1 3.69Å; F124-H128 AromaticContact CZ-NE2 3.99Å; F124-H128 PolarHBondContact O-N 3.39Å; F124-H128 VanDerWaalsContact O-N 3.14Å; F124-H128 PolarHBondContact O-ND1 3.38Å
125M94.3Very high93.2Very high7 Ų754.2 Ų54.23%0.03428%0.277CS..Hα-helixtrans-62-39.5176.8-74.8-175.1-73.500111.4V102 F106 C121 V122 S127 H128 L129 I137 L140 L149V102-M125 HydrophobicContact CG1-CG 4.25Å; V102-M125 HydrophobicContact CG2-CG 3.79Å; V102-M125 HydrophobicContact CG2-SD 4.41Å; F106-M125 HydrophobicContact CD2-CE 3.68Å; F106-M125 HydrophobicContact CE2-CE 4.01Å; F106-M125 HydrophobicContact CG-CE 4.05Å; C121-M125 HydrophobicContact CB-CE 4.42Å; C121-M125 WeakPolarHBondContact O-CB 3.49Å; C121-M125 WeakPolarHBondContact O-CE 3.15Å; C121-M125 WeakPolarHBondContact O-CG 3.35Å; C121-M125 PolarHBondContact O-N 3.17Å; V122-M125 HydrophobicContact CG2-CE 4.27Å; V122-M125 PolarHBondContact O-N 3.45Å; M125-S127 PolarHBondContact O-N 3.34Å; M125-H128 CarbonylContact O-C 3.6Å; M125-H128 PolarHBondContact O-N 3.32Å; M125-L129 PolarHBondContact O-N 2.87Å; M125-L129 VanDerWaalsContact O-N 3.12Å; M125-I137 HydrophobicContact CB-CD1 4.3Å; M125-I137 HydrophobicContact CB-CG2 4.36Å; M125-L140 HydrophobicContact CE-CD2 4.37Å; M125-L140 HydrophobicContact SD-CD2 3.85Å; M125-L149 HydrophobicContact CB-CD1 4.38Å; M125-L149 HydrophobicContact CB-CD2 4.15Å; M125-L149 HydrophobicContact CE-CD2 3.88Å; M125-L149 HydrophobicContact SD-CD2 4.34Å
126K92.8Very high93.1Very high107 Ų10751.8 Ų51.847%0.46527%0.267SS..Hα-helixtrans-66.7-35.6178.1-167.1170.4-174.8169.80112.7V122 E123 F124 L149V122-K126 WeakPolarHBondContact O-CB 3.5Å; V122-K126 PolarHBondContact O-N 3.39Å; E123-K126 PolarHBondContact O-N 3.47Å; F124-K126 VanDerWaalsContact C-N 3.3Å; F124-K126 PolarHBondContact O-N 3.1Å; K126-L149 HydrophobicContact CB-CD1 4.12Å
127S93.5Very high93Very high86 Ų8647.9 Ų47.960%0.60125%0.247SC*.Hα-helixtrans-79.6-19.5179.269.40000114.2E123 F124 M125E123-S127 PolarHBondContact O-N 3.12Å; E123-S127 PolarHBondContact O-OG 3.12Å; F124-S127 PolarHBondContact O-N 3.1Å; F124-S127 PolarHBondContact O-OG 3.03Å; F124-S127 VanDerWaalsContact O-OG 3.04Å; M125-S127 PolarHBondContact O-N 3.34Å
128H90.4Very high93Very high72 Ų7248.3 Ų48.333%0.33325%0.249SC..THydrogen-bonded Turntrans-113.222.6178.9-59.683.3000112.1E99 F124 M125 D130 N133E99-H128 IonicContact OE1-CD2 3.43Å; E99-H128 PolarHBondContact OE1-CD2 2.93Å; F124-H128 AromaticContact CD1-ND1 3.88Å; F124-H128 AromaticContact CD2-CE1 3.72Å; F124-H128 AromaticContact CD2-ND1 3.89Å; F124-H128 AromaticContact CE1-ND1 3.75Å; F124-H128 AromaticContact CE2-CE1 3.37Å; F124-H128 WeakPolarHBondContact CE2-CE1 3.42Å; F124-H128 AromaticContact CE2-ND1 3.77Å; F124-H128 AromaticContact CG-ND1 3.94Å; F124-H128 AromaticContact CZ-CE1 3.58Å; F124-H128 AromaticContact CZ-ND1 3.69Å; F124-H128 AromaticContact CZ-NE2 3.99Å; F124-H128 PolarHBondContact O-N 3.39Å; F124-H128 VanDerWaalsContact O-N 3.14Å; F124-H128 PolarHBondContact O-ND1 3.38Å; M125-H128 CarbonylContact O-C 3.6Å; M125-H128 PolarHBondContact O-N 3.32Å; H128-D130 PolarHBondContact O-N 2.95Å; H128-N133 PolarHBondContact O-ND2 3.26Å
129L90.6Very high92.8Very high39 Ų3948.6 Ų48.620%0.20426%0.258CS..  trans-70.4126.7177.4-173.569.2000109.8M125 C134 I137 S153 L156M125-L129 PolarHBondContact O-N 2.87Å; M125-L129 VanDerWaalsContact O-N 3.12Å; L129-C134 HydrophobicContact CD1-CB 4.03Å; L129-I137 HydrophobicContact CD1-CB 4.21Å; L129-I137 HydrophobicContact CD1-CD1 3.83Å; L129-I137 HydrophobicContact CD1-CG2 4.17Å; L129-S153 WeakPolarHBondContact CD1-OG 3.3Å; L129-L156 HydrophobicContact CD2-CB 4.32Å; L129-L156 HydrophobicContact CD2-CD2 3.97Å; L129-L156 HydrophobicContact CG-CD2 3.68Å
130D90.2Very high92.7Very high74 Ų7443.8 Ų43.840%0.39624%0.237SC..  trans-141161.5-175.9-177.275000110.6H128 T132 N133 C134H128-D130 PolarHBondContact O-N 2.95Å; D130-T132 PolarHBondContact O-N 3.11Å; D130-T132 WeakPolarHBondContact OD2-CB 3.32Å; D130-T132 WeakPolarHBondContact OD2-CG2 3.34Å; D130-T132 PolarHBondContact OD2-N 2.86Å; D130-T132 PolarHBondContact OD2-OG1 3.44Å; D130-N133 PolarHBondContact N-OD1 3.42Å; D130-N133 PolarHBondContact O-N 2.83Å; D130-N133 VanDerWaalsContact O-N 3.15Å; D130-N133 PolarHBondContact O-OD1 3.36Å; D130-C134 VanDerWaalsContact O-CB 3.26Å; D130-C134 WeakPolarHBondContact O-CB 3.44Å; D130-C134 PolarHBondContact O-N 3.34Å
131V88.4Confident92.7Very high16 Ų1638.3 Ų38.310%0.09722%0.216CC..THydrogen-bonded Turntrans-56.3-32.8177.81790000111.9C134 N160 L164V131-C134 PolarHBondContact O-SG 3.41Å; V131-N160 HydrophobicContact CG2-CB 3.86Å; V131-L164 VanDerWaalsContact CG1-CA 3.41Å; V131-L164 HydrophobicContact CG1-CB 3.75Å
132T90.4Very high92.6Very high67 Ų6743.2 Ų43.241%0.41124%0.239SC..THydrogen-bonded Turntrans-73.1-26.3-179.356.50000114.5D130 E167D130-T132 PolarHBondContact O-N 3.11Å; D130-T132 WeakPolarHBondContact OD2-CB 3.32Å; D130-T132 WeakPolarHBondContact OD2-CG2 3.34Å; D130-T132 PolarHBondContact OD2-N 2.86Å; D130-T132 PolarHBondContact OD2-OG1 3.44Å; T132-E167 HydrophobicContact CG2-CB 4.33Å
133N91.2Very high92.4Very high48 Ų4848.5 Ų48.526%0.25726%0.264SS..THydrogen-bonded Turntrans-118-7.1-173.569.124.3000114.4H128 D130 L135 G136 I137H128-N133 PolarHBondContact O-ND2 3.26Å; D130-N133 PolarHBondContact N-OD1 3.42Å; D130-N133 PolarHBondContact O-N 2.83Å; D130-N133 VanDerWaalsContact O-N 3.15Å; D130-N133 PolarHBondContact O-OD1 3.36Å; N133-L135 PolarHBondContact O-N 3.48Å; N133-G136 PolarHBondContact O-N 2.97Å; N133-I137 HydrophobicContact CB-CD1 4.28Å; N133-I137 WeakPolarHBondContact O-CG1 3.47Å; N133-I137 PolarHBondContact O-N 2.83Å; N133-I137 WeakPolarHBondContact OD1-CD1 3.38Å
134C92.8Very high92.2Very high0 Ų046.2 Ų46.20%025%0.253CS..Hα-helixtrans-60.5-38.9-17260.30000113.9L129 D130 V131 I137 E138 S153 L156L129-C134 HydrophobicContact CD1-CB 4.03Å; D130-C134 VanDerWaalsContact O-CB 3.26Å; D130-C134 WeakPolarHBondContact O-CB 3.44Å; D130-C134 PolarHBondContact O-N 3.34Å; V131-C134 PolarHBondContact O-SG 3.41Å; C134-I137 PolarHBondContact O-N 3Å; C134-E138 VanDerWaalsContact O-CB 3.3Å; C134-E138 WeakPolarHBondContact O-CB 3.33Å; C134-E138 PolarHBondContact O-N 2.91Å; C134-S153 WeakPolarHBondContact O-CB 3.18Å; C134-L156 HydrophobicContact CB-CD2 4.13Å
135L93.8Very high92.1Very high2 Ų251.2 Ų51.21%0.0128%0.281CS..Hα-helixtrans-65.4-45.7179.6-66.5177.8000111.8N133 E138 A139 A157 L164 E170 W171 L174 Y182N133-L135 PolarHBondContact O-N 3.48Å; L135-E138 PolarHBondContact O-N 3.17Å; L135-A139 WeakPolarHBondContact O-CB 3.5Å; L135-A139 PolarHBondContact O-N 3.45Å; L135-A157 HydrophobicContact CD2-CB 4.32Å; L135-L164 HydrophobicContact CD1-CD1 4.23Å; L135-L164 HydrophobicContact CD1-CD2 3.96Å; L135-L164 HydrophobicContact CD1-CG 4.31Å; L135-L164 HydrophobicContact CD2-CD1 4.02Å; L135-L164 HydrophobicContact CG-CD1 3.97Å; L135-E170 HydrophobicContact CB-CB 4.19Å; L135-E170 WeakPolarHBondContact CB-OE2 3.31Å; L135-E170 HydrophobicContact CD1-CB 4Å; L135-W171 HydrophobicContact CD1-CB 4.34Å; L135-W171 HydrophobicContact CD1-CE3 4.41Å; L135-L174 HydrophobicContact CB-CD2 4.46Å; L135-L174 HydrophobicContact CD1-CD1 3.98Å; L135-L174 HydrophobicContact CD1-CG 4.49Å; L135-L174 HydrophobicContact CD2-CD1 4.07Å; L135-Y182 HydrophobicContact CD2-CE2 4.06Å
136G91.7Very high92Very high31 Ų3152.4 Ų52.432%0.3229%0.288SS..Hα-helixtrans-63.5-41.8176.100000112.5N133 A139 L140 E170N133-G136 PolarHBondContact O-N 2.97Å; G136-A139 PolarHBondContact O-N 3.41Å; G136-L140 WeakPolarHBondContact O-CB 3.28Å; G136-L140 PolarHBondContact O-N 3.12Å; G136-E170 WeakPolarHBondContact CA-OE2 3.25Å; G136-E170 PolarHBondContact N-OE2 3.38Å
137I93.4Very high92.1Very high19 Ų1951.6 Ų51.610%0.09729%0.291CS..Hα-helixtrans-67.1-40.7176.1-66.6176000111.2M125 L129 N133 C134 L140 A141 L149 S153M125-I137 HydrophobicContact CB-CD1 4.3Å; M125-I137 HydrophobicContact CB-CG2 4.36Å; L129-I137 HydrophobicContact CD1-CB 4.21Å; L129-I137 HydrophobicContact CD1-CD1 3.83Å; L129-I137 HydrophobicContact CD1-CG2 4.17Å; N133-I137 HydrophobicContact CB-CD1 4.28Å; N133-I137 WeakPolarHBondContact O-CG1 3.47Å; N133-I137 PolarHBondContact O-N 2.83Å; N133-I137 WeakPolarHBondContact OD1-CD1 3.38Å; C134-I137 PolarHBondContact O-N 3Å; I137-L140 PolarHBondContact O-N 3.42Å; I137-A141 VanDerWaalsContact O-CB 3.24Å; I137-A141 WeakPolarHBondContact O-CB 3.46Å; I137-A141 PolarHBondContact O-N 3.2Å; I137-L149 HydrophobicContact CG2-CD1 3.76Å; I137-L149 HydrophobicContact CG2-CD2 3.79Å; I137-L149 HydrophobicContact CG2-CG 3.72Å; I137-S153 WeakPolarHBondContact CG2-OG 3.4Å
138E94.6Very high92.1Very high8 Ų852.4 Ų52.44%0.03729%0.289CS..Hα-helixtrans-58.8-51.3174.3-174.8-174.3-164.800110.8C134 L135 L140 A141 E142 H154 Y182C134-E138 VanDerWaalsContact O-CB 3.3Å; C134-E138 WeakPolarHBondContact O-CB 3.33Å; C134-E138 PolarHBondContact O-N 2.91Å; L135-E138 PolarHBondContact O-N 3.17Å; E138-L140 VanDerWaalsContact C-N 3.3Å; E138-L140 PolarHBondContact O-N 3.49Å; E138-A141 PolarHBondContact O-N 2.89Å; E138-A141 VanDerWaalsContact O-N 3.11Å; E138-E142 HydrophobicContact CG-CG 4.5Å; E138-E142 WeakPolarHBondContact O-CG 3.41Å; E138-E142 PolarHBondContact O-N 3.04Å; E138-H154 WeakPolarHBondContact OE1-CB 3.38Å; E138-H154 IonicContact OE1-CE1 3.6Å; E138-H154 IonicContact OE1-CG 3.1Å; E138-H154 IonicContact OE1-ND1 2.65Å; E138-H154 PolarHBondContact OE1-ND1 3.43Å; E138-Y182 VanDerWaalsContact CD-OH 3.24Å; E138-Y182 PolarHBondContact OE1-OH 3.1Å; E138-Y182 PolarHBondContact OE2-OH 3.08Å
139A92.4Very high92.2Very high46 Ų4649 Ų4938%0.3827%0.274SS..Hα-helixtrans-59.8-40.5179.400000112.2L135 G136 M143L135-A139 WeakPolarHBondContact O-CB 3.5Å; L135-A139 PolarHBondContact O-N 3.45Å; G136-A139 PolarHBondContact O-N 3.41Å; A139-M143 WeakPolarHBondContact O-CB 3.37Å; A139-M143 PolarHBondContact O-N 3.06Å; A139-M143 VanDerWaalsContact O-N 3.08Å
140L91.9Very high92.4Very high15 Ų1547.8 Ų47.88%0.07927%0.269CS..Hα-helixtrans-65.9-42.5175.2-173.367000111.6Q103 F106 L107 M125 G136 I137 E138 M143 H144Q103-L140 HydrophobicContact CG-CD2 4.24Å; F106-L140 HydrophobicContact CD1-CD1 3.96Å; F106-L140 HydrophobicContact CD1-CD2 3.74Å; F106-L140 HydrophobicContact CD1-CG 3.94Å; F106-L140 HydrophobicContact CE1-CD1 3.87Å; F106-L140 HydrophobicContact CE1-CD2 4.01Å; F106-L140 HydrophobicContact CE1-CG 3.73Å; F106-L140 HydrophobicContact CG-CD2 4.4Å; L107-L140 HydrophobicContact CD2-CD1 3.74Å; L107-L140 HydrophobicContact CG-CD1 4.33Å; M125-L140 HydrophobicContact CE-CD2 4.37Å; M125-L140 HydrophobicContact SD-CD2 3.85Å; G136-L140 WeakPolarHBondContact O-CB 3.28Å; G136-L140 PolarHBondContact O-N 3.12Å; I137-L140 PolarHBondContact O-N 3.42Å; E138-L140 VanDerWaalsContact C-N 3.3Å; E138-L140 PolarHBondContact O-N 3.49Å; L140-M143 PolarHBondContact O-N 3.14Å; L140-H144 PolarHBondContact O-CD2 3.24Å; L140-H144 VanDerWaalsContact O-CD2 3.27Å; L140-H144 PolarHBondContact O-N 2.92Å
141A94.8Very high92.5Very high1 Ų150.4 Ų50.41%0.00828%0.279CS..Hα-helixtrans-66.4-42.9179.300000112.1I137 E138 H144 N145 I146 L149 A150I137-A141 VanDerWaalsContact O-CB 3.24Å; I137-A141 WeakPolarHBondContact O-CB 3.46Å; I137-A141 PolarHBondContact O-N 3.2Å; E138-A141 PolarHBondContact O-N 2.89Å; E138-A141 VanDerWaalsContact O-N 3.11Å; A141-H144 CarbonylContact O-C 3.49Å; A141-H144 PolarHBondContact O-N 2.75Å; A141-N145 PolarHBondContact O-N 3.12Å; A141-I146 HydrophobicContact CB-CB 4.27Å; A141-I146 PolarHBondContact O-N 3.08Å; A141-L149 HydrophobicContact CB-CB 3.94Å; A141-L149 HydrophobicContact CB-CD2 4.05Å; A141-L149 HydrophobicContact CB-CG 3.94Å; A141-A150 HydrophobicContact CB-CB 3.81Å
142E92.5Very high92.6Very high104 Ų10451.4 Ų51.449%0.48629%0.286SS..Hα-helixtrans-61.9-45.5175.3-73-171152.500111.6E138 H144 N145 A150E138-E142 HydrophobicContact CG-CG 4.5Å; E138-E142 WeakPolarHBondContact O-CG 3.41Å; E138-E142 PolarHBondContact O-N 3.04Å; E142-H144 PolarHBondContact O-N 3.45Å; E142-N145 PolarHBondContact O-N 3.3Å; E142-N145 VanDerWaalsContact O-N 3.09Å; E142-A150 HydrophobicContact CG-CB 4.07Å
143M91.5Very high92.7Very high139 Ų13948.2 Ų48.269%0.68527%0.267SS*.Hα-helixtrans-58.6-33.4179-173.7-179.7-55.200112.7A139 L140A139-M143 WeakPolarHBondContact O-CB 3.37Å; A139-M143 PolarHBondContact O-N 3.06Å; A139-M143 VanDerWaalsContact O-N 3.08Å; L140-M143 PolarHBondContact O-N 3.14Å
144H90.8Very high92.7Very high50 Ų5048.4 Ų48.423%0.23127%0.266CS..THydrogen-bonded Turntrans-101.710.4179.8-69.8-98.5000113.9F106 S110 L140 A141 E142 I146F106-H144 HydrophobicContact CE1-CB 4.19Å; F106-H144 AromaticContact CE1-CD2 3.51Å; F106-H144 AromaticContact CE1-CE1 3.94Å; F106-H144 AromaticContact CE1-CG 3.6Å; F106-H144 AromaticContact CE1-ND1 3.87Å; F106-H144 AromaticContact CE1-NE2 3.73Å; F106-H144 HydrophobicContact CZ-CB 3.87Å; F106-H144 AromaticContact CZ-CG 3.76Å; S110-H144 PolarHBondContact OG-CE1 3.02Å; S110-H144 VanDerWaalsContact OG-CE1 3.23Å; S110-H144 PolarHBondContact OG-ND1 3.28Å; L140-H144 PolarHBondContact O-CD2 3.24Å; L140-H144 VanDerWaalsContact O-CD2 3.27Å; L140-H144 PolarHBondContact O-N 2.92Å; A141-H144 CarbonylContact O-C 3.49Å; A141-H144 PolarHBondContact O-N 2.75Å; E142-H144 PolarHBondContact O-N 3.45Å; H144-I146 VanDerWaalsContact C-N 3.31Å; H144-I146 HydrophobicContact CB-CD1 4.09Å; H144-I146 HydrophobicContact CB-CG1 4.15Å; H144-I146 PolarHBondContact O-N 3.21Å
145N91.9Very high92.5Very high144 Ų14454.2 Ų54.277%0.7729%0.291SS*.THydrogen-bonded Turntrans56.536.3-179.3-57.5-73.3000114.7A141 E142 T147A141-N145 PolarHBondContact O-N 3.12Å; E142-N145 PolarHBondContact O-N 3.3Å; E142-N145 VanDerWaalsContact O-N 3.09Å; N145-T147 PolarHBondContact O-N 3.4Å
146I93.3Very high92.3Very high33 Ų3356 Ų5617%0.16930%0.301CS..  trans-9482177.8-54175.3000108.9F106 V122 A141 H144 D148 L149 A150F106-I146 HydrophobicContact CE2-CD1 3.51Å; F106-I146 HydrophobicContact CZ-CD1 3.4Å; F106-I146 VanDerWaalsContact CZ-CD1 3.4Å; V122-I146 HydrophobicContact CG1-CG2 4.16Å; V122-I146 HydrophobicContact CG2-CD1 3.66Å; V122-I146 HydrophobicContact CG2-CG2 4.29Å; A141-I146 HydrophobicContact CB-CB 4.27Å; A141-I146 PolarHBondContact O-N 3.08Å; H144-I146 VanDerWaalsContact C-N 3.31Å; H144-I146 HydrophobicContact CB-CD1 4.09Å; H144-I146 HydrophobicContact CB-CG1 4.15Å; H144-I146 PolarHBondContact O-N 3.21Å; I146-D148 PolarHBondContact O-N 2.79Å; I146-L149 HydrophobicContact CB-CB 4.48Å; I146-L149 HydrophobicContact CG2-CB 3.72Å; I146-L149 PolarHBondContact O-N 3.33Å; I146-A150 WeakPolarHBondContact O-CB 3.4Å; I146-A150 PolarHBondContact O-N 3.09Å
147T93.8Very high92.3Very high89 Ų8954.6 Ų54.655%0.54629%0.286SS..Hα-helixtrans-57.2-43.3-171.453.10000113.6N145 L149 A150 Q151N145-T147 PolarHBondContact O-N 3.4Å; T147-L149 VanDerWaalsContact C-N 3.34Å; T147-L149 PolarHBondContact O-N 3.03Å; T147-A150 PolarHBondContact O-N 3.07Å; T147-Q151 WeakPolarHBondContact O-CB 3.25Å; T147-Q151 VanDerWaalsContact O-CG 3.27Å; T147-Q151 WeakPolarHBondContact O-CG 3.39Å; T147-Q151 PolarHBondContact O-N 3.39Å
148D93.3Very high92Very high103 Ų10354.2 Ų54.255%0.55129%0.285SS*.Hα-helixtrans-67.5-37-174-65.70.5000112.2I146 S152I146-D148 PolarHBondContact O-N 2.79Å; D148-S152 WeakPolarHBondContact O-CB 3.36Å; D148-S152 PolarHBondContact O-N 3.44Å; D148-S152 VanDerWaalsContact O-N 3.17Å; D148-S152 PolarHBondContact O-OG 3.08Å
149L94.2Very high91.3Very high2 Ų258.3 Ų58.31%0.0130%0.304CS..Hα-helixtrans-73.5-45.5176.5-176.860.3000110V122 M125 K126 I137 A141 I146 T147 Q151 S152 S153V122-L149 HydrophobicContact CG1-CB 4.43Å; V122-L149 HydrophobicContact CG1-CD2 4.29Å; M125-L149 HydrophobicContact CB-CD1 4.38Å; M125-L149 HydrophobicContact CB-CD2 4.15Å; M125-L149 HydrophobicContact CE-CD2 3.88Å; M125-L149 HydrophobicContact SD-CD2 4.34Å; K126-L149 HydrophobicContact CB-CD1 4.12Å; I137-L149 HydrophobicContact CG2-CD1 3.76Å; I137-L149 HydrophobicContact CG2-CD2 3.79Å; I137-L149 HydrophobicContact CG2-CG 3.72Å; A141-L149 HydrophobicContact CB-CB 3.94Å; A141-L149 HydrophobicContact CB-CD2 4.05Å; A141-L149 HydrophobicContact CB-CG 3.94Å; I146-L149 HydrophobicContact CB-CB 4.48Å; I146-L149 HydrophobicContact CG2-CB 3.72Å; I146-L149 PolarHBondContact O-N 3.33Å; T147-L149 VanDerWaalsContact C-N 3.34Å; T147-L149 PolarHBondContact O-N 3.03Å; L149-Q151 PolarHBondContact O-N 3.13Å; L149-S152 PolarHBondContact O-N 2.73Å; L149-S153 WeakPolarHBondContact O-CB 3.43Å; L149-S153 PolarHBondContact O-N 3.3Å; L149-S153 PolarHBondContact O-OG 2.95Å; L149-S153 VanDerWaalsContact O-OG 3.1Å
150A94.5Very high90.8Very high12 Ų1258.6 Ų58.610%0.09930%0.299CS..Hα-helixtrans-56.6-47.9176.500000111.6A141 E142 I146 T147 S152 S153 H154A141-A150 HydrophobicContact CB-CB 3.81Å; E142-A150 HydrophobicContact CG-CB 4.07Å; I146-A150 WeakPolarHBondContact O-CB 3.4Å; I146-A150 PolarHBondContact O-N 3.09Å; T147-A150 PolarHBondContact O-N 3.07Å; A150-S152 PolarHBondContact O-N 3.17Å; A150-S153 PolarHBondContact O-N 3.36Å; A150-H154 VanDerWaalsContact O-CB 3.28Å; A150-H154 WeakPolarHBondContact O-CB 3.36Å; A150-H154 PolarHBondContact O-N 2.92Å
151Q91.8Very high90.6Very high130 Ų13057.9 Ų57.961%0.60730%0.295SS*.Hα-helixtrans-63.1-40177.1-73.6175.9-1.100112.8T147 L149 K155T147-Q151 WeakPolarHBondContact O-CB 3.25Å; T147-Q151 VanDerWaalsContact O-CG 3.27Å; T147-Q151 WeakPolarHBondContact O-CG 3.39Å; T147-Q151 PolarHBondContact O-N 3.39Å; L149-Q151 PolarHBondContact O-N 3.13Å; Q151-K155 VanDerWaalsContact O-CB 3.25Å; Q151-K155 WeakPolarHBondContact O-CB 3.35Å; Q151-K155 PolarHBondContact O-N 3.46Å
152S89.7Confident90Very high37 Ų3759.4 Ų59.426%0.25931%0.305SS..Hα-helixtrans-65.5-43.6178.4-58.30000111.1D148 L149 A150 L156D148-S152 WeakPolarHBondContact O-CB 3.36Å; D148-S152 PolarHBondContact O-N 3.44Å; D148-S152 VanDerWaalsContact O-N 3.17Å; D148-S152 PolarHBondContact O-OG 3.08Å; L149-S152 PolarHBondContact O-N 2.73Å; A150-S152 PolarHBondContact O-N 3.17Å; S152-L156 PolarHBondContact O-N 3.33Å; S152-L156 VanDerWaalsContact O-N 3.14Å
153S93.5Very high89.6Confident0 Ų056 Ų560%029%0.293CS..Hα-helixtrans-64.9-46.9175.7-60.10000112.3L129 C134 I137 L149 A150 K155 L156 A157L129-S153 WeakPolarHBondContact CD1-OG 3.3Å; C134-S153 WeakPolarHBondContact O-CB 3.18Å; I137-S153 WeakPolarHBondContact CG2-OG 3.4Å; L149-S153 WeakPolarHBondContact O-CB 3.43Å; L149-S153 PolarHBondContact O-N 3.3Å; L149-S153 PolarHBondContact O-OG 2.95Å; L149-S153 VanDerWaalsContact O-OG 3.1Å; A150-S153 PolarHBondContact O-N 3.36Å; S153-K155 PolarHBondContact O-N 3.26Å; S153-L156 PolarHBondContact O-N 3.34Å; S153-A157 PolarHBondContact O-N 3.41Å
154H92Very high89.6Confident51 Ų5149.4 Ų49.424%0.23626%0.261CS..Hα-helixtrans-58.5-47.2177.5-171.479.4000111.5E138 A150 L156 A157 V158 Y182E138-H154 WeakPolarHBondContact OE1-CB 3.38Å; E138-H154 IonicContact OE1-CE1 3.6Å; E138-H154 IonicContact OE1-CG 3.1Å; E138-H154 IonicContact OE1-ND1 2.65Å; E138-H154 PolarHBondContact OE1-ND1 3.43Å; A150-H154 VanDerWaalsContact O-CB 3.28Å; A150-H154 WeakPolarHBondContact O-CB 3.36Å; A150-H154 PolarHBondContact O-N 2.92Å; H154-L156 PolarHBondContact O-N 3.45Å; H154-A157 PolarHBondContact O-N 2.9Å; H154-V158 WeakPolarHBondContact O-CG2 3.46Å; H154-V158 PolarHBondContact O-N 3.23Å; H154-Y182 AromaticContact CE1-CE1 3.89Å; H154-Y182 AromaticContact CE1-CZ 3.88Å; H154-Y182 AromaticContact ND1-CZ 3.65Å; H154-Y182 PolarHBondContact ND1-OH 3.01Å
155K88.1Confident89.5Confident123 Ų12348.7 Ų48.754%0.53526%0.258SS..Hα-helixtrans-58.5-47.1177.8-179178.6175.5-179.90111.5Q151 S153 A157 V158 E159Q151-K155 VanDerWaalsContact O-CB 3.25Å; Q151-K155 WeakPolarHBondContact O-CB 3.35Å; Q151-K155 PolarHBondContact O-N 3.46Å; S153-K155 PolarHBondContact O-N 3.26Å; K155-A157 VanDerWaalsContact C-N 3.3Å; K155-A157 PolarHBondContact O-N 2.52Å; K155-V158 PolarHBondContact O-N 2.74Å; K155-E159 VanDerWaalsContact CE-CD 3.47Å; K155-E159 WeakPolarHBondContact CE-OE1 3.36Å; K155-E159 HydrophobicContact CG-CG 4.35Å; K155-E159 IonicContact NZ-OE1 3.9Å; K155-E159 WeakPolarHBondContact O-CB 3.22Å; K155-E159 WeakPolarHBondContact O-CG 2.79Å; K155-E159 PolarHBondContact O-N 3.33Å
156L89.2Confident89.2Confident39 Ų3950.6 Ų50.620%0.20426%0.255CS..Hα-helixtrans-60.4-42.3178.7-17668.7000111.7L129 C134 S152 S153 H154 N160L129-L156 HydrophobicContact CD2-CB 4.32Å; L129-L156 HydrophobicContact CD2-CD2 3.97Å; L129-L156 HydrophobicContact CG-CD2 3.68Å; C134-L156 HydrophobicContact CB-CD2 4.13Å; S152-L156 PolarHBondContact O-N 3.33Å; S152-L156 VanDerWaalsContact O-N 3.14Å; S153-L156 PolarHBondContact O-N 3.34Å; H154-L156 PolarHBondContact O-N 3.45Å; L156-N160 WeakPolarHBondContact CD1-ND2 3.19Å; L156-N160 WeakPolarHBondContact O-CB 3.44Å; L156-N160 PolarHBondContact O-N 3.44Å; L156-N160 VanDerWaalsContact O-N 3.08Å; L156-N160 PolarHBondContact O-ND2 3.47Å
157A91.8Very high88.8Confident1 Ų153.3 Ų53.31%0.00827%0.267CS..Hα-helixtrans-65.5-42.7178.500000112.5L135 S153 H154 K155 F161 L164 Y182L135-A157 HydrophobicContact CD2-CB 4.32Å; S153-A157 PolarHBondContact O-N 3.41Å; H154-A157 PolarHBondContact O-N 2.9Å; K155-A157 VanDerWaalsContact C-N 3.3Å; K155-A157 PolarHBondContact O-N 2.52Å; A157-F161 VanDerWaalsContact O-CA 3.24Å; A157-F161 WeakPolarHBondContact O-CA 3.26Å; A157-F161 WeakPolarHBondContact O-CB 3.39Å; A157-F161 PolarHBondContact O-N 3.14Å; A157-L164 HydrophobicContact CB-CD1 3.61Å; A157-Y182 HydrophobicContact CB-CE1 3.68Å; A157-Y182 WeakPolarHBondContact CB-OH 3.37Å
158V87.4Confident88.4Confident12 Ų1249.5 Ų49.57%0.07324%0.244CC..Hα-helixtrans-65.1-44.7176.41710000111.4H154 K155 N160 Y182 D187 D189H154-V158 WeakPolarHBondContact O-CG2 3.46Å; H154-V158 PolarHBondContact O-N 3.23Å; K155-V158 PolarHBondContact O-N 2.74Å; V158-N160 VanDerWaalsContact C-N 3.3Å; V158-N160 PolarHBondContact O-N 3.03Å; V158-Y182 HydrophobicContact CG2-CD1 4.12Å; V158-Y182 HydrophobicContact CG2-CE1 3.86Å; V158-D187 HydrophobicContact CG1-CB 3.99Å; V158-D187 VanDerWaalsContact CG1-O 3.22Å; V158-D187 WeakPolarHBondContact CG1-O 3.1Å; V158-D189 VanDerWaalsContact O-CB 3.24Å; V158-D189 WeakPolarHBondContact O-CB 3.37Å; V158-D189 PolarHBondContact O-N 3Å
159E80.1Confident88.1Confident94 Ų9451.3 Ų51.344%0.43925%0.253SS..Hα-helixtrans-71.7-19.6-179.2-72.5178.6165.100113.8K155K155-E159 VanDerWaalsContact CE-CD 3.47Å; K155-E159 WeakPolarHBondContact CE-OE1 3.36Å; K155-E159 HydrophobicContact CG-CG 4.35Å; K155-E159 IonicContact NZ-OE1 3.9Å; K155-E159 WeakPolarHBondContact O-CB 3.22Å; K155-E159 WeakPolarHBondContact O-CG 2.79Å; K155-E159 PolarHBondContact O-N 3.33Å
160N81.2Confident87.9Confident52 Ų5254.5 Ų54.528%0.27827%0.268SS..THydrogen-bonded Turntrans-126.526.6-177.2-63.1-87.9000112.4V131 L156 V158 S162 S163 L164V131-N160 HydrophobicContact CG2-CB 3.86Å; L156-N160 WeakPolarHBondContact CD1-ND2 3.19Å; L156-N160 WeakPolarHBondContact O-CB 3.44Å; L156-N160 PolarHBondContact O-N 3.44Å; L156-N160 VanDerWaalsContact O-N 3.08Å; L156-N160 PolarHBondContact O-ND2 3.47Å; V158-N160 VanDerWaalsContact C-N 3.3Å; V158-N160 PolarHBondContact O-N 3.03Å; N160-S162 VanDerWaalsContact C-N 3.28Å; N160-S162 PolarHBondContact O-N 3.4Å; N160-S163 PolarHBondContact O-N 2.93Å; N160-L164 WeakPolarHBondContact O-CB 3.49Å; N160-L164 PolarHBondContact O-N 2.81Å
161F88.2Confident87.9Confident0 Ų054.1 Ų54.10%026%0.264CS..Hα-helixtrans-56-40.7-170-167.5-105.2000113.2A157 S163 L164 L165 W171 Y182 L188 V190 A199A157-F161 VanDerWaalsContact O-CA 3.24Å; A157-F161 WeakPolarHBondContact O-CA 3.26Å; A157-F161 WeakPolarHBondContact O-CB 3.39Å; A157-F161 PolarHBondContact O-N 3.14Å; F161-S163 PolarHBondContact O-N 2.84Å; F161-L164 WeakPolarHBondContact O-CB 3.32Å; F161-L164 PolarHBondContact O-N 2.89Å; F161-L165 HydrophobicContact CD1-CD1 3.89Å; F161-L165 HydrophobicContact CD1-CG 4.26Å; F161-L165 HydrophobicContact CE1-CD1 3.63Å; F161-L165 HydrophobicContact CE1-CD2 4.17Å; F161-L165 HydrophobicContact CE1-CG 4.02Å; F161-L165 HydrophobicContact CZ-CD1 4.37Å; F161-L165 HydrophobicContact CZ-CD2 4.07Å; F161-L165 HydrophobicContact CZ-CG 4.34Å; F161-L165 WeakPolarHBondContact O-CG 3.5Å; F161-L165 PolarHBondContact O-N 2.56Å; F161-W171 HydrophobicContact CE2-CE3 4.01Å; F161-W171 AromaticContact CE2-CH2 3.54Å; F161-W171 HydrophobicContact CE2-CH2 3.54Å; F161-W171 HydrophobicContact CE2-CZ2 4.28Å; F161-W171 AromaticContact CE2-CZ3 3.39Å; F161-W171 HydrophobicContact CE2-CZ3 3.39Å; F161-W171 HydrophobicContact CZ-CE3 4.32Å; F161-W171 AromaticContact CZ-CH2 3.4Å; F161-W171 HydrophobicContact CZ-CH2 3.4Å; F161-W171 VanDerWaalsContact CZ-CH2 3.4Å; F161-W171 AromaticContact CZ-CZ2 3.74Å; F161-W171 HydrophobicContact CZ-CZ2 3.74Å; F161-W171 AromaticContact CZ-CZ3 3.73Å; F161-W171 HydrophobicContact CZ-CZ3 3.73Å; F161-Y182 HydrophobicContact CD2-CD1 4.3Å; F161-Y182 HydrophobicContact CE2-CD1 4.14Å; F161-Y182 HydrophobicContact CE2-CG 4.38Å; F161-L188 HydrophobicContact CB-CD1 3.92Å; F161-L188 HydrophobicContact CB-CG 4.1Å; F161-L188 HydrophobicContact CD1-CD1 4Å; F161-L188 HydrophobicContact CD1-CD2 3.73Å; F161-L188 HydrophobicContact CD1-CG 3.82Å; F161-L188 HydrophobicContact CD2-CD1 3.49Å; F161-L188 VanDerWaalsContact CD2-CD1 3.49Å; F161-L188 HydrophobicContact CD2-CG 4.23Å; F161-L188 HydrophobicContact CE1-CD1 4.36Å; F161-L188 HydrophobicContact CE1-CD2 3.69Å; F161-L188 HydrophobicContact CE1-CG 4.25Å; F161-L188 HydrophobicContact CE2-CD1 3.89Å; F161-L188 HydrophobicContact CG-CD1 3.52Å; F161-L188 HydrophobicContact CG-CD2 4.16Å; F161-L188 HydrophobicContact CG-CG 3.78Å; F161-L188 HydrophobicContact CZ-CD1 4.31Å; F161-L188 HydrophobicContact CZ-CD2 4.1Å; F161-V190 HydrophobicContact CB-CG1 4.44Å; F161-V190 HydrophobicContact CD1-CG1 3.56Å; F161-V190 HydrophobicContact CE1-CG1 4.32Å; F161-V190 HydrophobicContact CG-CG1 4.43Å; F161-A199 HydrophobicContact CE1-CB 4.19Å; F161-A199 HydrophobicContact CZ-CB 4.34Å
162S81.9Confident87.9Confident32 Ų3248.8 Ų48.822%0.22424%0.241CC..Hα-helixtrans-61.9-39.8176.958.10000114N160N160-S162 VanDerWaalsContact C-N 3.28Å; N160-S162 PolarHBondContact O-N 3.4Å
163S84.5Confident88Confident33 Ų3352.5 Ų52.523%0.23126%0.258CS..Hα-helixtrans-72.8-39.3174.7-600000111.3N160 F161 L165 R166 E167N160-S163 PolarHBondContact O-N 2.93Å; F161-S163 PolarHBondContact O-N 2.84Å; S163-L165 VanDerWaalsContact C-N 3.34Å; S163-L165 PolarHBondContact O-N 2.83Å; S163-R166 PolarHBondContact O-N 2.63Å; S163-E167 WeakPolarHBondContact O-CB 3.42Å; S163-E167 PolarHBondContact O-N 2.65Å
164L90Very high88Confident0 Ų053.3 Ų53.30%026%0.262CS..Hα-helixtrans-55.3-46.4177.2178157.8000111.8V131 L135 A157 N160 F161 R166 E167 S168 W171V131-L164 VanDerWaalsContact CG1-CA 3.41Å; V131-L164 HydrophobicContact CG1-CB 3.75Å; L135-L164 HydrophobicContact CD1-CD1 4.23Å; L135-L164 HydrophobicContact CD1-CD2 3.96Å; L135-L164 HydrophobicContact CD1-CG 4.31Å; L135-L164 HydrophobicContact CD2-CD1 4.02Å; L135-L164 HydrophobicContact CG-CD1 3.97Å; A157-L164 HydrophobicContact CB-CD1 3.61Å; N160-L164 WeakPolarHBondContact O-CB 3.49Å; N160-L164 PolarHBondContact O-N 2.81Å; F161-L164 WeakPolarHBondContact O-CB 3.32Å; F161-L164 PolarHBondContact O-N 2.89Å; L164-R166 PolarHBondContact O-N 3.5Å; L164-E167 PolarHBondContact O-N 3.22Å; L164-S168 WeakPolarHBondContact O-CB 3.47Å; L164-S168 PolarHBondContact O-N 3.23Å; L164-W171 HydrophobicContact CD2-CB 4.44Å; L164-W171 HydrophobicContact CD2-CE3 4.13Å
165L88.6Confident88.1Confident36 Ų3654.2 Ų54.219%0.18827%0.272CS..Hα-helixtrans-62.2-23.2178.3-67.9172.5000113.9F161 S163 W171 A199F161-L165 HydrophobicContact CD1-CD1 3.89Å; F161-L165 HydrophobicContact CD1-CG 4.26Å; F161-L165 HydrophobicContact CE1-CD1 3.63Å; F161-L165 HydrophobicContact CE1-CD2 4.17Å; F161-L165 HydrophobicContact CE1-CG 4.02Å; F161-L165 HydrophobicContact CZ-CD1 4.37Å; F161-L165 HydrophobicContact CZ-CD2 4.07Å; F161-L165 HydrophobicContact CZ-CG 4.34Å; F161-L165 WeakPolarHBondContact O-CG 3.5Å; F161-L165 PolarHBondContact O-N 2.56Å; S163-L165 VanDerWaalsContact C-N 3.34Å; S163-L165 PolarHBondContact O-N 2.83Å; L165-W171 HydrophobicContact CD2-CD2 3.85Å; L165-W171 HydrophobicContact CD2-CG 3.81Å; L165-A199 HydrophobicContact CD1-CB 3.73Å; L165-A199 HydrophobicContact CD2-CB 3.59Å; L165-A199 HydrophobicContact CG-CB 4.32Å
166R85.5Confident88.4Confident184 Ų18450 Ų5069%0.69426%0.255SS*.Hα-helixtrans-93.2-36.3-179.1-176-18065.9-156.1-3.9112.5S163 L164S163-R166 PolarHBondContact O-N 2.63Å; L164-R166 PolarHBondContact O-N 3.5Å
167E85Confident88.6Confident90 Ų9052.1 Ų52.142%0.42127%0.273SS..Hα-helixtrans-103.5-26.6-167.1-67171.8-153.300113T132 S163 L164T132-E167 HydrophobicContact CG2-CB 4.33Å; S163-E167 WeakPolarHBondContact O-CB 3.42Å; S163-E167 PolarHBondContact O-N 2.65Å; L164-E167 PolarHBondContact O-N 3.22Å
168S86Confident88.7Confident9 Ų953.3 Ų53.36%0.06328%0.281CS..  trans-99132.4178.1-176.90000112L164 E170L164-S168 WeakPolarHBondContact O-CB 3.47Å; L164-S168 PolarHBondContact O-N 3.23Å; S168-E170 VanDerWaalsContact C-N 3.31Å; S168-E170 WeakPolarHBondContact OG-CB 3.39Å; S168-E170 PolarHBondContact OG-N 3.35Å; S168-E170 VanDerWaalsContact OG-N 3.14Å
169N87.2Confident89.1Confident140 Ų14052.8 Ų52.875%0.74928%0.277SS*.SBendtrans-89.63.2171.6-65.5-13.4000112.5N173N169-N173 PolarHBondContact O-ND2 2.82Å
170E90.4Very high89.8Confident69 Ų6949.5 Ų49.532%0.32226%0.262SS..  trans-83.7-25.8-174.4-60.8-172.3162.100112.6L135 G136 S168 T172 N173 L174L135-E170 HydrophobicContact CB-CB 4.19Å; L135-E170 WeakPolarHBondContact CB-OE2 3.31Å; L135-E170 HydrophobicContact CD1-CB 4Å; G136-E170 WeakPolarHBondContact CA-OE2 3.25Å; G136-E170 PolarHBondContact N-OE2 3.38Å; S168-E170 VanDerWaalsContact C-N 3.31Å; S168-E170 WeakPolarHBondContact OG-CB 3.39Å; S168-E170 PolarHBondContact OG-N 3.35Å; S168-E170 VanDerWaalsContact OG-N 3.14Å; E170-T172 VanDerWaalsContact C-N 3.31Å; E170-T172 PolarHBondContact O-N 3.18Å; E170-N173 PolarHBondContact O-N 3.34Å; E170-L174 PolarHBondContact O-N 2.71Å
171W93.5Very high90.4Very high4 Ų449.9 Ų49.92%0.01527%0.269CS..G310 helixtrans-52.2-46.7-178.1178-102.2000112.8L135 F161 L164 L165 N173 L174 V179 Y182 A199L135-W171 HydrophobicContact CD1-CB 4.34Å; L135-W171 HydrophobicContact CD1-CE3 4.41Å; F161-W171 HydrophobicContact CE2-CE3 4.01Å; F161-W171 AromaticContact CE2-CH2 3.54Å; F161-W171 HydrophobicContact CE2-CH2 3.54Å; F161-W171 HydrophobicContact CE2-CZ2 4.28Å; F161-W171 AromaticContact CE2-CZ3 3.39Å; F161-W171 HydrophobicContact CE2-CZ3 3.39Å; F161-W171 HydrophobicContact CZ-CE3 4.32Å; F161-W171 AromaticContact CZ-CH2 3.4Å; F161-W171 HydrophobicContact CZ-CH2 3.4Å; F161-W171 VanDerWaalsContact CZ-CH2 3.4Å; F161-W171 AromaticContact CZ-CZ2 3.74Å; F161-W171 HydrophobicContact CZ-CZ2 3.74Å; F161-W171 AromaticContact CZ-CZ3 3.73Å; F161-W171 HydrophobicContact CZ-CZ3 3.73Å; L164-W171 HydrophobicContact CD2-CB 4.44Å; L164-W171 HydrophobicContact CD2-CE3 4.13Å; L165-W171 HydrophobicContact CD2-CD2 3.85Å; L165-W171 HydrophobicContact CD2-CG 3.81Å; W171-N173 PolarHBondContact O-N 3.23Å; W171-L174 HydrophobicContact CD2-CD1 4.4Å; W171-L174 HydrophobicContact CE3-CD1 3.66Å; W171-L174 HydrophobicContact CZ3-CD1 3.96Å; W171-L174 WeakPolarHBondContact O-CB 3.22Å; W171-L174 PolarHBondContact O-N 3.05Å; W171-V179 HydrophobicContact CH2-CG1 4.3Å; W171-V179 HydrophobicContact CZ2-CG1 3.99Å; W171-Y182 HydrophobicContact CH2-CG 4.33Å; W171-Y182 HydrophobicContact CZ3-CD2 4.07Å; W171-Y182 AromaticContact CZ3-CG 4Å; W171-Y182 HydrophobicContact CZ3-CG 4Å; W171-A199 HydrophobicContact CZ2-CB 4.12Å; W171-A199 PolarHBondContact NE1-O 3.03Å; W171-A199 VanDerWaalsContact NE1-O 3.12Å
172T92.1Very high90.6Very high19 Ų1950 Ų5012%0.11727%0.27CS..G310 helixtrans-70.1-12.7-178.557.90000113.2E170 Q206 R211E170-T172 VanDerWaalsContact C-N 3.31Å; E170-T172 PolarHBondContact O-N 3.18Å; T172-Q206 HydrophobicContact CG2-CB 4.45Å; T172-R211 VanDerWaalsContact O-CZ 3.26Å; T172-R211 PolarHBondContact O-NH1 2.91Å; T172-R211 PolarHBondContact O-NH2 3Å
173N91.9Very high91.1Very high115 Ų11548.4 Ų48.462%0.61526%0.259SS*.G310 helixtrans-97.6-6.7177.8-65.3-46.9000113.3N169 E170 W171N169-N173 PolarHBondContact O-ND2 2.82Å; E170-N173 PolarHBondContact O-N 3.34Å; W171-N173 PolarHBondContact O-N 3.23Å
174L93.5Very high91.5Very high17 Ų1749.3 Ų49.39%0.08927%0.265CS..SBendtrans-66.7147.4-178.9-65.9-179.7000112.8L135 E170 W171 T178 V179 W203L135-L174 HydrophobicContact CB-CD2 4.46Å; L135-L174 HydrophobicContact CD1-CD1 3.98Å; L135-L174 HydrophobicContact CD1-CG 4.49Å; L135-L174 HydrophobicContact CD2-CD1 4.07Å; E170-L174 PolarHBondContact O-N 2.71Å; W171-L174 HydrophobicContact CD2-CD1 4.4Å; W171-L174 HydrophobicContact CE3-CD1 3.66Å; W171-L174 HydrophobicContact CZ3-CD1 3.96Å; W171-L174 WeakPolarHBondContact O-CB 3.22Å; W171-L174 PolarHBondContact O-N 3.05Å; L174-T178 HydrophobicContact CD1-CG2 4.22Å; L174-T178 HydrophobicContact CD2-CG2 4.49Å; L174-V179 HydrophobicContact CB-CG2 3.73Å; L174-V179 HydrophobicContact CD1-CG2 4.45Å; L174-W203 PolarHBondContact O-NE1 3.21Å
175P94Very high91.4Very high70 Ų7050.5 Ų50.546%0.45527%0.273SS..  trans-69.2152.7171.730.3-34000111.2S177 T178 V179P175-S177 PolarHBondContact O-N 3.37Å; P175-S177 VanDerWaalsContact O-N 3.17Å; P175-T178 WeakPolarHBondContact CG-OG1 3.35Å; P175-T178 PolarHBondContact O-N 2.91Å; P175-T178 VanDerWaalsContact O-N 3.08Å; P175-V179 PolarHBondContact O-N 3.35Å; P175-V179 VanDerWaalsContact O-N 3.13Å
176I94.6Very high91.3Very high35 Ų3552.3 Ų52.318%0.17928%0.283CS..Hα-helixtrans-55.8-36.3-176.6-178.159.1000113.2T178 V179 I180 W203 Y214 L218I176-T178 VanDerWaalsContact C-N 3.34Å; I176-T178 PolarHBondContact O-N 2.89Å; I176-V179 PolarHBondContact O-N 2.95Å; I176-I180 HydrophobicContact CD1-CD1 3.85Å; I176-I180 HydrophobicContact CD1-CG1 3.92Å; I176-I180 HydrophobicContact CG1-CD1 3.75Å; I176-I180 HydrophobicContact CG1-CG1 4.26Å; I176-I180 WeakPolarHBondContact O-CB 3.24Å; I176-I180 WeakPolarHBondContact O-CG1 3.42Å; I176-I180 PolarHBondContact O-N 3.4Å; I176-W203 HydrophobicContact CB-CH2 3.89Å; I176-W203 HydrophobicContact CB-CZ2 4.15Å; I176-W203 HydrophobicContact CD1-CH2 3.77Å; I176-W203 HydrophobicContact CD1-CZ2 4.43Å; I176-W203 HydrophobicContact CD1-CZ3 3.94Å; I176-W203 HydrophobicContact CG1-CH2 4.3Å; I176-Y214 HydrophobicContact CD1-CD1 4.41Å; I176-Y214 HydrophobicContact CD1-CG 4.11Å; I176-Y214 HydrophobicContact CG1-CD1 3.85Å; I176-Y214 HydrophobicContact CG1-CE1 4.37Å; I176-Y214 HydrophobicContact CG1-CG 3.97Å; I176-Y214 HydrophobicContact CG2-CE1 4.28Å; I176-L218 HydrophobicContact CD1-CD2 3.83Å; I176-L218 HydrophobicContact CD1-CG 4.27Å
177S94.1Very high91.2Very high83 Ų8348.8 Ų48.858%0.5828%0.278SS*.Hα-helixtrans-60.5-43178.549.60000112.2P175 S181P175-S177 PolarHBondContact O-N 3.37Å; P175-S177 VanDerWaalsContact O-N 3.17Å; S177-S181 PolarHBondContact O-N 3.2Å
178T93.6Very high91.2Very high26 Ų2644.5 Ų44.516%0.1626%0.258CS..Hα-helixtrans-70.6-43.1178.7-54.30000110.5L174 P175 I176 I180 S181 Y182L174-T178 HydrophobicContact CD1-CG2 4.22Å; L174-T178 HydrophobicContact CD2-CG2 4.49Å; P175-T178 WeakPolarHBondContact CG-OG1 3.35Å; P175-T178 PolarHBondContact O-N 2.91Å; P175-T178 VanDerWaalsContact O-N 3.08Å; I176-T178 VanDerWaalsContact C-N 3.34Å; I176-T178 PolarHBondContact O-N 2.89Å; T178-I180 VanDerWaalsContact C-N 3.33Å; T178-I180 PolarHBondContact O-N 3.2Å; T178-S181 VanDerWaalsContact O-CB 3.25Å; T178-S181 WeakPolarHBondContact O-CB 3.46Å; T178-S181 PolarHBondContact O-N 3.4Å; T178-S181 VanDerWaalsContact O-N 3.09Å; T178-Y182 HydrophobicContact CG2-CD2 4.03Å; T178-Y182 HydrophobicContact CG2-CE2 3.9Å; T178-Y182 WeakPolarHBondContact O-CD2 3.48Å; T178-Y182 PolarHBondContact O-N 3.46Å; T178-Y182 VanDerWaalsContact O-N 3.07Å
179V95.3Very high90.9Very high0 Ų045.2 Ų45.20%026%0.261CS..Hα-helixtrans-59.4-43.6176.9172.80000111.6W171 L174 P175 I176 Y182 I183 W203 L218W171-V179 HydrophobicContact CH2-CG1 4.3Å; W171-V179 HydrophobicContact CZ2-CG1 3.99Å; L174-V179 HydrophobicContact CB-CG2 3.73Å; L174-V179 HydrophobicContact CD1-CG2 4.45Å; P175-V179 PolarHBondContact O-N 3.35Å; P175-V179 VanDerWaalsContact O-N 3.13Å; I176-V179 PolarHBondContact O-N 2.95Å; V179-Y182 PolarHBondContact O-N 3.42Å; V179-I183 HydrophobicContact CG1-CD1 3.41Å; V179-I183 VanDerWaalsContact CG1-CD1 3.41Å; V179-I183 HydrophobicContact CG1-CG1 4.43Å; V179-I183 WeakPolarHBondContact O-CD1 3.48Å; V179-I183 VanDerWaalsContact O-CG1 3.31Å; V179-I183 WeakPolarHBondContact O-CG1 3.24Å; V179-I183 PolarHBondContact O-N 3.04Å; V179-W203 HydrophobicContact CG1-CG 4.46Å; V179-W203 HydrophobicContact CG2-CD2 4.42Å; V179-W203 HydrophobicContact CG2-CG 4.27Å; V179-L218 HydrophobicContact CG1-CD2 3.9Å
180I94.6Very high90.5Very high25 Ų2538.6 Ų38.613%0.12823%0.226CC..Hα-helixtrans-64.2-40.4174.6-71172.5000111.4I176 T178 Y182 I183 S184 Q217 L218I176-I180 HydrophobicContact CD1-CD1 3.85Å; I176-I180 HydrophobicContact CD1-CG1 3.92Å; I176-I180 HydrophobicContact CG1-CD1 3.75Å; I176-I180 HydrophobicContact CG1-CG1 4.26Å; I176-I180 WeakPolarHBondContact O-CB 3.24Å; I176-I180 WeakPolarHBondContact O-CG1 3.42Å; I176-I180 PolarHBondContact O-N 3.4Å; T178-I180 VanDerWaalsContact C-N 3.33Å; T178-I180 PolarHBondContact O-N 3.2Å; I180-Y182 VanDerWaalsContact C-N 3.31Å; I180-Y182 PolarHBondContact O-N 3.24Å; I180-I183 PolarHBondContact O-N 3.37Å; I180-S184 WeakPolarHBondContact O-CB 3.47Å; I180-S184 PolarHBondContact O-N 3.47Å; I180-S184 PolarHBondContact O-OG 2.63Å; I180-Q217 HydrophobicContact CD1-CG 3.8Å; I180-L218 HydrophobicContact CG1-CD2 4.2Å
181S93Very high89.5Confident61 Ų6139.3 Ų39.343%0.42724%0.236SC..Hα-helixtrans-54.2-48.8175.7-171.80000111.2S177 T178 S184 S185S177-S181 PolarHBondContact O-N 3.2Å; T178-S181 VanDerWaalsContact O-CB 3.25Å; T178-S181 WeakPolarHBondContact O-CB 3.46Å; T178-S181 PolarHBondContact O-N 3.4Å; T178-S181 VanDerWaalsContact O-N 3.09Å; S181-S184 PolarHBondContact O-OG 2.83Å; S181-S184 VanDerWaalsContact O-OG 3.08Å; S181-S185 PolarHBondContact O-N 2.93Å
182Y93.7Very high88.9Confident1 Ų141 Ų410%0.00425%0.249CC..Hα-helixtrans-65-50.6176.2-83.3-77.8000113.2L135 E138 H154 A157 V158 F161 W171 T178 V179 I180 S184 S185 L188L135-Y182 HydrophobicContact CD2-CE2 4.06Å; E138-Y182 VanDerWaalsContact CD-OH 3.24Å; E138-Y182 PolarHBondContact OE1-OH 3.1Å; E138-Y182 PolarHBondContact OE2-OH 3.08Å; H154-Y182 AromaticContact CE1-CE1 3.89Å; H154-Y182 AromaticContact CE1-CZ 3.88Å; H154-Y182 AromaticContact ND1-CZ 3.65Å; H154-Y182 PolarHBondContact ND1-OH 3.01Å; A157-Y182 HydrophobicContact CB-CE1 3.68Å; A157-Y182 WeakPolarHBondContact CB-OH 3.37Å; V158-Y182 HydrophobicContact CG2-CD1 4.12Å; V158-Y182 HydrophobicContact CG2-CE1 3.86Å; F161-Y182 HydrophobicContact CD2-CD1 4.3Å; F161-Y182 HydrophobicContact CE2-CD1 4.14Å; F161-Y182 HydrophobicContact CE2-CG 4.38Å; W171-Y182 HydrophobicContact CH2-CG 4.33Å; W171-Y182 HydrophobicContact CZ3-CD2 4.07Å; W171-Y182 AromaticContact CZ3-CG 4Å; W171-Y182 HydrophobicContact CZ3-CG 4Å; T178-Y182 HydrophobicContact CG2-CD2 4.03Å; T178-Y182 HydrophobicContact CG2-CE2 3.9Å; T178-Y182 WeakPolarHBondContact O-CD2 3.48Å; T178-Y182 PolarHBondContact O-N 3.46Å; T178-Y182 VanDerWaalsContact O-N 3.07Å; V179-Y182 PolarHBondContact O-N 3.42Å; I180-Y182 VanDerWaalsContact C-N 3.31Å; I180-Y182 PolarHBondContact O-N 3.24Å; Y182-S184 VanDerWaalsContact C-N 3.28Å; Y182-S184 PolarHBondContact O-N 3.19Å; Y182-S185 WeakPolarHBondContact O-CB 3.5Å; Y182-S185 PolarHBondContact O-N 3.35Å; Y182-L188 HydrophobicContact CD1-CD1 4.1Å
183I92.9Very high88.7Confident0 Ų040.1 Ų40.10%024%0.244CC..Hα-helixtrans-67.1-31.4-176-64.5158000111.3V179 I180 S185 V196 C200 L218 H221 R276V179-I183 HydrophobicContact CG1-CD1 3.41Å; V179-I183 VanDerWaalsContact CG1-CD1 3.41Å; V179-I183 HydrophobicContact CG1-CG1 4.43Å; V179-I183 WeakPolarHBondContact O-CD1 3.48Å; V179-I183 VanDerWaalsContact O-CG1 3.31Å; V179-I183 WeakPolarHBondContact O-CG1 3.24Å; V179-I183 PolarHBondContact O-N 3.04Å; I180-I183 PolarHBondContact O-N 3.37Å; I183-S185 VanDerWaalsContact C-N 3.34Å; I183-V196 HydrophobicContact CG1-CG1 4.35Å; I183-V196 HydrophobicContact CG2-CG1 3.72Å; I183-C200 WeakPolarHBondContact CD1-SG 3.46Å; I183-L218 HydrophobicContact CD1-CD2 3.66Å; I183-H221 HydrophobicContact CG2-CB 3.72Å; I183-R276 VanDerWaalsContact O-CZ 3.25Å; I183-R276 PolarHBondContact O-NH1 3.25Å; I183-R276 PolarHBondContact O-NH2 3.14Å
184S91.6Very high88.5Confident52 Ų5238.7 Ų38.736%0.36423%0.233SC..Hα-helixtrans-74.8-21.4177.1650000113.8I180 S181 Y182 D186I180-S184 WeakPolarHBondContact O-CB 3.47Å; I180-S184 PolarHBondContact O-N 3.47Å; I180-S184 PolarHBondContact O-OG 2.63Å; S181-S184 PolarHBondContact O-OG 2.83Å; S181-S184 VanDerWaalsContact O-OG 3.08Å; Y182-S184 VanDerWaalsContact C-N 3.28Å; Y182-S184 PolarHBondContact O-N 3.19Å; S184-D186 PolarHBondContact O-N 3.29Å
185S89.4Confident88.2Confident24 Ų2441.7 Ų41.717%0.16825%0.246CC..  trans-67.3116.7-174.4178.30000114.1S181 Y182 I183 D187 L188 R276S181-S185 PolarHBondContact O-N 2.93Å; Y182-S185 WeakPolarHBondContact O-CB 3.5Å; Y182-S185 PolarHBondContact O-N 3.35Å; I183-S185 VanDerWaalsContact C-N 3.34Å; S185-D187 PolarHBondContact O-N 2.7Å; S185-D187 PolarHBondContact OG-N 3.17Å; S185-L188 WeakPolarHBondContact O-CB 3.43Å; S185-L188 PolarHBondContact O-N 3.06Å; S185-R276 PolarHBondContact O-NH1 3.35Å
186D84.7Confident88.1Confident75 Ų7538.4 Ų38.440%0.40122%0.224SC..THydrogen-bonded Turntrans-60-19.5177.9-70.3-40.7000114.3S184 R223 R276S184-D186 PolarHBondContact O-N 3.29Å; D186-R223 IonicContact OD1-CZ 2.79Å; D186-R223 IonicContact OD1-NH2 2.76Å; D186-R223 PolarHBondContact OD1-NH2 3.45Å; D186-R276 WeakPolarHBondContact O-CB 3.47Å
187D83.3Confident88Confident109 Ų10936.8 Ų36.858%0.58322%0.216SC*.THydrogen-bonded Turntrans-88.3-1.5-176-60.9-41.6000114V158 S185 D189V158-D187 HydrophobicContact CG1-CB 3.99Å; V158-D187 VanDerWaalsContact CG1-O 3.22Å; V158-D187 WeakPolarHBondContact CG1-O 3.1Å; S185-D187 PolarHBondContact O-N 2.7Å; S185-D187 PolarHBondContact OG-N 3.17Å; D187-D189 PolarHBondContact O-N 2.89Å
188L86.6Confident87.9Confident0 Ų036.3 Ų36.30%021%0.207CC..  trans-58.2120.2-177.5-159.372.2000111.9F161 Y182 S185 V190 V196 R276 A278F161-L188 HydrophobicContact CB-CD1 3.92Å; F161-L188 HydrophobicContact CB-CG 4.1Å; F161-L188 HydrophobicContact CD1-CD1 4Å; F161-L188 HydrophobicContact CD1-CD2 3.73Å; F161-L188 HydrophobicContact CD1-CG 3.82Å; F161-L188 HydrophobicContact CD2-CD1 3.49Å; F161-L188 VanDerWaalsContact CD2-CD1 3.49Å; F161-L188 HydrophobicContact CD2-CG 4.23Å; F161-L188 HydrophobicContact CE1-CD1 4.36Å; F161-L188 HydrophobicContact CE1-CD2 3.69Å; F161-L188 HydrophobicContact CE1-CG 4.25Å; F161-L188 HydrophobicContact CE2-CD1 3.89Å; F161-L188 HydrophobicContact CG-CD1 3.52Å; F161-L188 HydrophobicContact CG-CD2 4.16Å; F161-L188 HydrophobicContact CG-CG 3.78Å; F161-L188 HydrophobicContact CZ-CD1 4.31Å; F161-L188 HydrophobicContact CZ-CD2 4.1Å; Y182-L188 HydrophobicContact CD1-CD1 4.1Å; S185-L188 WeakPolarHBondContact O-CB 3.43Å; S185-L188 PolarHBondContact O-N 3.06Å; L188-V190 HydrophobicContact CD2-CG1 4.24Å; L188-V190 HydrophobicContact CG-CG1 4.3Å; L188-V190 PolarHBondContact O-N 3.15Å; L188-V190 VanDerWaalsContact O-N 3.15Å; L188-V196 HydrophobicContact CD2-CG2 4.09Å; L188-R276 WeakPolarHBondContact O-CD 3.36Å; L188-A278 WeakPolarHBondContact O-CB 3.38Å
189D78.6Confident88Confident25 Ų2535.2 Ų35.213%0.13420%0.2CC..  trans-83.294.8-177.9-171.426.6000112.5V158 D187 R306V158-D189 VanDerWaalsContact O-CB 3.24Å; V158-D189 WeakPolarHBondContact O-CB 3.37Å; V158-D189 PolarHBondContact O-N 3Å; D187-D189 PolarHBondContact O-N 2.89Å; D189-R306 IonicContact OD1-CZ 3.4Å; D189-R306 IonicContact OD1-NH1 2.85Å; D189-R306 PolarHBondContact OD1-NH1 2.92Å; D189-R306 IonicContact OD1-NH2 3.68Å; D189-R306 PolarHBondContact OD1-NH2 2.8Å; D189-R306 IonicContact OD2-CZ 3.68Å; D189-R306 IonicContact OD2-NH1 3.67Å; D189-R306 PolarHBondContact OD2-NH1 2.82Å; D189-R306 IonicContact OD2-NH2 2.63Å
190V79Confident87.9Confident0 Ų035.3 Ų35.30%020%0.201CC..  trans-131.5139.3178.6-71.10000111.1F161 L188 S192 F195 V196 T279F161-V190 HydrophobicContact CB-CG1 4.44Å; F161-V190 HydrophobicContact CD1-CG1 3.56Å; F161-V190 HydrophobicContact CE1-CG1 4.32Å; F161-V190 HydrophobicContact CG-CG1 4.43Å; L188-V190 HydrophobicContact CD2-CG1 4.24Å; L188-V190 HydrophobicContact CG-CG1 4.3Å; L188-V190 PolarHBondContact O-N 3.15Å; L188-V190 VanDerWaalsContact O-N 3.15Å; V190-S192 PolarHBondContact O-N 2.85Å; V190-F195 HydrophobicContact CB-CB 4.17Å; V190-F195 HydrophobicContact CG1-CB 4.05Å; V190-V196 HydrophobicContact CB-CG2 4.41Å; V190-V196 HydrophobicContact CG1-CG2 4.12Å; V190-V196 HydrophobicContact CG2-CG2 3.82Å; V190-T279 HydrophobicContact CG2-CG2 3.89Å
191P69.4Low87.9Confident84 Ų8435.3 Ų35.355%0.54520%0.201SC..SBendtrans-63.6-29176.2-2333000113.7F195P191-F195 HydrophobicContact CB-CD2 4.32Å; P191-F195 HydrophobicContact CB-CE2 4.02Å; P191-F195 HydrophobicContact CG-CD2 4.23Å; P191-F195 HydrophobicContact CG-CE2 3.9Å; P191-F195 HydrophobicContact CG-CZ 4.17Å
192S81Confident87.9Confident40 Ų4036 Ų3628%0.2820%0.2SC..SBendtrans-156.8158.7177.466.10000110.4V190 Q194 F195V190-S192 PolarHBondContact O-N 2.85Å; S192-Q194 PolarHBondContact O-N 2.86Å; S192-Q194 VanDerWaalsContact O-N 3.1Å; S192-Q194 WeakPolarHBondContact OG-CB 3.27Å; S192-Q194 PolarHBondContact OG-N 2.96Å; S192-F195 PolarHBondContact O-N 3.4Å; S192-F195 VanDerWaalsContact O-N 3.09Å
193E87.2Confident88Confident1 Ų136.2 Ų36.21%0.00520%0.201CC..Hα-helixtrans-62.6-14.8173.2-77.9-72.7134.900112.5F195 V196 W197 R223 L227 R276 T279E193-F195 VanDerWaalsContact C-N 3.28Å; E193-F195 PolarHBondContact O-N 2.94Å; E193-V196 WeakPolarHBondContact O-CB 3.42Å; E193-V196 PolarHBondContact O-N 2.8Å; E193-V196 VanDerWaalsContact O-N 3.15Å; E193-W197 PolarHBondContact O-N 2.93Å; E193-R223 HydrophobicContact CG-CB 4.06Å; E193-R223 IonicContact OE1-CZ 3.38Å; E193-R223 IonicContact OE1-NH1 3.88Å; E193-R223 PolarHBondContact OE1-NH1 2.71Å; E193-R223 VanDerWaalsContact OE1-NH1 3.1Å; E193-R223 PolarHBondContact OE2-N 2.75Å; E193-R223 IonicContact OE2-NH1 2.73Å; E193-L227 VanDerWaalsContact C-CD2 3.45Å; E193-L227 HydrophobicContact CB-CD2 3.79Å; E193-L227 HydrophobicContact CB-CG 4.19Å; E193-R276 WeakPolarHBondContact OE1-CD 3.4Å; E193-R276 WeakPolarHBondContact OE1-CG 3.28Å; E193-R276 IonicContact OE1-CZ 3.4Å; E193-R276 IonicContact OE1-NE 3.74Å; E193-R276 PolarHBondContact OE1-NE 3.35Å; E193-R276 IonicContact OE1-NH2 3.76Å; E193-R276 IonicContact OE2-NH2 3.41Å; E193-T279 HydrophobicContact CG-CG2 4.4Å
194Q87.8Confident88.1Confident85 Ų8536.2 Ų36.240%0.39720%0.201SC..Hα-helixtrans-61.7-36172.4176.4170.55.800111.7S192 V196 W197 D198 L227 M231S192-Q194 PolarHBondContact O-N 2.86Å; S192-Q194 VanDerWaalsContact O-N 3.1Å; S192-Q194 WeakPolarHBondContact OG-CB 3.27Å; S192-Q194 PolarHBondContact OG-N 2.96Å; Q194-V196 VanDerWaalsContact C-N 3.29Å; Q194-V196 PolarHBondContact O-N 2.68Å; Q194-W197 WeakPolarHBondContact O-CB 3.44Å; Q194-W197 PolarHBondContact O-N 3.46Å; Q194-D198 VanDerWaalsContact O-CG 3.23Å; Q194-D198 PolarHBondContact O-N 3.34Å; Q194-L227 HydrophobicContact CB-CD2 4.14Å; Q194-L227 VanDerWaalsContact N-CD2 3.33Å; Q194-M231 HydrophobicContact CB-CE 4.17Å; Q194-M231 HydrophobicContact CB-SD 4.05Å; Q194-M231 HydrophobicContact CG-CE 3.66Å; Q194-M231 HydrophobicContact CG-SD 3.85Å
195F87.6Confident88.2Confident80 Ų8038.4 Ų38.435%0.35121%0.208SC..Hα-helixtrans-63.9-36.4174.7-80-100.2000112.1V190 P191 S192 E193 D198 A199V190-F195 HydrophobicContact CB-CB 4.17Å; V190-F195 HydrophobicContact CG1-CB 4.05Å; P191-F195 HydrophobicContact CB-CD2 4.32Å; P191-F195 HydrophobicContact CB-CE2 4.02Å; P191-F195 HydrophobicContact CG-CD2 4.23Å; P191-F195 HydrophobicContact CG-CE2 3.9Å; P191-F195 HydrophobicContact CG-CZ 4.17Å; S192-F195 PolarHBondContact O-N 3.4Å; S192-F195 VanDerWaalsContact O-N 3.09Å; E193-F195 VanDerWaalsContact C-N 3.28Å; E193-F195 PolarHBondContact O-N 2.94Å; F195-D198 PolarHBondContact O-N 2.76Å; F195-A199 WeakPolarHBondContact O-CB 3.43Å; F195-A199 PolarHBondContact O-N 3.14Å
196V92.2Very high88.3Confident0 Ų042.2 Ų42.20%022%0.223CC..Hα-helixtrans-67.4-42.9175.7-174.10000110.1I183 L188 V190 E193 Q194 A199 C200 I222I183-V196 HydrophobicContact CG1-CG1 4.35Å; I183-V196 HydrophobicContact CG2-CG1 3.72Å; L188-V196 HydrophobicContact CD2-CG2 4.09Å; V190-V196 HydrophobicContact CB-CG2 4.41Å; V190-V196 HydrophobicContact CG1-CG2 4.12Å; V190-V196 HydrophobicContact CG2-CG2 3.82Å; E193-V196 WeakPolarHBondContact O-CB 3.42Å; E193-V196 PolarHBondContact O-N 2.8Å; E193-V196 VanDerWaalsContact O-N 3.15Å; Q194-V196 VanDerWaalsContact C-N 3.29Å; Q194-V196 PolarHBondContact O-N 2.68Å; V196-A199 WeakPolarHBondContact O-CB 3.36Å; V196-A199 PolarHBondContact O-N 2.84Å; V196-C200 PolarHBondContact O-N 2.88Å; V196-C200 PolarHBondContact O-SG 2.7Å; V196-I222 HydrophobicContact CG1-CG1 4.29Å
197W93.2Very high88.6Confident1 Ų140.8 Ų40.80%0.00422%0.22CC..Hα-helixtrans-56.5-52.6173.4176.5-80.2000111.5E193 Q194 A199 C200 I201 L219 I222 L224 L227 M231 L232 Q235 I242 I252E193-W197 PolarHBondContact O-N 2.93Å; Q194-W197 WeakPolarHBondContact O-CB 3.44Å; Q194-W197 PolarHBondContact O-N 3.46Å; W197-A199 VanDerWaalsContact C-N 3.29Å; W197-A199 PolarHBondContact O-N 3.17Å; W197-C200 WeakPolarHBondContact O-CB 3.4Å; W197-C200 PolarHBondContact O-N 2.71Å; W197-C200 VanDerWaalsContact O-N 3.11Å; W197-I201 HydrophobicContact CG-CG1 4.5Å; W197-I201 HydrophobicContact CZ2-CD1 4.38Å; W197-I201 WeakPolarHBondContact O-CG1 3.35Å; W197-I201 PolarHBondContact O-N 3.47Å; W197-L219 HydrophobicContact CE3-CD2 4.16Å; W197-L219 HydrophobicContact CH2-CD2 4Å; W197-L219 HydrophobicContact CZ3-CD2 3.54Å; W197-I222 HydrophobicContact CB-CD1 4.48Å; W197-I222 HydrophobicContact CE3-CD1 3.94Å; W197-L224 HydrophobicContact CE3-CD2 4.39Å; W197-L224 HydrophobicContact CZ3-CD2 4.07Å; W197-L227 HydrophobicContact CD2-CD1 4.46Å; W197-L227 HydrophobicContact CE3-CD1 3.76Å; W197-L227 HydrophobicContact CZ3-CD1 4.39Å; W197-M231 HydrophobicContact CB-CE 4.04Å; W197-M231 VanDerWaalsContact CD1-CE 3.45Å; W197-M231 HydrophobicContact CD2-CE 4.08Å; W197-M231 HydrophobicContact CG-CE 3.59Å; W197-L232 HydrophobicContact CH2-CD2 4.39Å; W197-L232 HydrophobicContact CZ3-CD2 4.03Å; W197-Q235 HydrophobicContact CH2-CB 4.34Å; W197-Q235 HydrophobicContact CZ2-CB 3.74Å; W197-Q235 HydrophobicContact CZ2-CG 3.66Å; W197-I242 HydrophobicContact CH2-CD1 4.08Å; W197-I242 HydrophobicContact CZ2-CD1 4.07Å; W197-I242 HydrophobicContact CZ2-CG1 4.26Å; W197-I252 HydrophobicContact CH2-CD1 3.82Å
198D92.3Very high88.9Confident74 Ų7437.7 Ų37.740%0.39621%0.206SC..Hα-helixtrans-61.5-39-179.2-66-22.7000111.3Q194 F195 C200 I201 N202Q194-D198 VanDerWaalsContact O-CG 3.23Å; Q194-D198 PolarHBondContact O-N 3.34Å; F195-D198 PolarHBondContact O-N 2.76Å; D198-C200 PolarHBondContact O-N 2.76Å; D198-I201 PolarHBondContact O-N 3.34Å; D198-N202 VanDerWaalsContact O-CB 3.22Å; D198-N202 WeakPolarHBondContact O-CB 3.46Å; D198-N202 PolarHBondContact O-N 3.24Å
199A93.9Very high89Confident3 Ų346.5 Ų46.53%0.02525%0.248CC..Hα-helixtrans-60.7-41.4174.400000113F161 L165 W171 F195 V196 W197 W203F161-A199 HydrophobicContact CE1-CB 4.19Å; F161-A199 HydrophobicContact CZ-CB 4.34Å; L165-A199 HydrophobicContact CD1-CB 3.73Å; L165-A199 HydrophobicContact CD2-CB 3.59Å; L165-A199 HydrophobicContact CG-CB 4.32Å; W171-A199 HydrophobicContact CZ2-CB 4.12Å; W171-A199 PolarHBondContact NE1-O 3.03Å; W171-A199 VanDerWaalsContact NE1-O 3.12Å; F195-A199 WeakPolarHBondContact O-CB 3.43Å; F195-A199 PolarHBondContact O-N 3.14Å; V196-A199 WeakPolarHBondContact O-CB 3.36Å; V196-A199 PolarHBondContact O-N 2.84Å; W197-A199 VanDerWaalsContact C-N 3.29Å; W197-A199 PolarHBondContact O-N 3.17Å; A199-W203 WeakPolarHBondContact O-CB 3.45Å; A199-W203 PolarHBondContact O-N 3.2Å; A199-W203 VanDerWaalsContact O-N 3.14Å
200C95.1Very high89.7Confident2 Ų249.9 Ų49.91%0.01427%0.269CS..Hα-helixtrans-66.8-47.8177-64.30000111.2I183 V196 W197 D198 W203 V204 L218 I222I183-C200 WeakPolarHBondContact CD1-SG 3.46Å; V196-C200 PolarHBondContact O-N 2.88Å; V196-C200 PolarHBondContact O-SG 2.7Å; W197-C200 WeakPolarHBondContact O-CB 3.4Å; W197-C200 PolarHBondContact O-N 2.71Å; W197-C200 VanDerWaalsContact O-N 3.11Å; D198-C200 PolarHBondContact O-N 2.76Å; C200-W203 PolarHBondContact O-N 3.18Å; C200-V204 WeakPolarHBondContact O-CG2 3.26Å; C200-V204 PolarHBondContact O-N 2.82Å; C200-L218 HydrophobicContact CB-CB 4.39Å; C200-L218 HydrophobicContact CB-CD1 4.39Å; C200-I222 HydrophobicContact CB-CD1 4.23Å
201I94.3Very high90.4Very high25 Ų2551.4 Ų51.413%0.12828%0.275CS..Hα-helixtrans-63.2-46.9-178.7-66.9-58.2000110.5W197 D198 W203 V204 D205 L215 L241 I242W197-I201 HydrophobicContact CG-CG1 4.5Å; W197-I201 HydrophobicContact CZ2-CD1 4.38Å; W197-I201 WeakPolarHBondContact O-CG1 3.35Å; W197-I201 PolarHBondContact O-N 3.47Å; D198-I201 PolarHBondContact O-N 3.34Å; I201-W203 VanDerWaalsContact C-N 3.33Å; I201-W203 PolarHBondContact O-N 2.93Å; I201-V204 PolarHBondContact O-N 3.2Å; I201-V204 VanDerWaalsContact O-N 3.16Å; I201-D205 WeakPolarHBondContact O-CB 3.33Å; I201-D205 PolarHBondContact O-N 3.12Å; I201-L215 HydrophobicContact CD1-CD1 4.15Å; I201-L241 HydrophobicContact CG2-CD1 4.18Å; I201-I242 HydrophobicContact CD1-CD1 4.19Å
202N93.3Very high91.5Very high76 Ų7648.7 Ų48.741%0.40626%0.256SS..Hα-helixtrans-60-41.7177.6-172.24.7000111.9D198 V204 D205 Q206D198-N202 VanDerWaalsContact O-CB 3.22Å; D198-N202 WeakPolarHBondContact O-CB 3.46Å; D198-N202 PolarHBondContact O-N 3.24Å; N202-V204 PolarHBondContact O-N 3.27Å; N202-D205 PolarHBondContact O-N 3.3Å; N202-Q206 PolarHBondContact O-N 3.33Å
203W95.5Very high92.1Very high5 Ų552.2 Ų52.22%0.01928%0.275CS..Hα-helixtrans-63.4-39.5176-17690.4000112.7L174 I176 V179 A199 C200 I201 R211 Y214 L218L174-W203 PolarHBondContact O-NE1 3.21Å; I176-W203 HydrophobicContact CB-CH2 3.89Å; I176-W203 HydrophobicContact CB-CZ2 4.15Å; I176-W203 HydrophobicContact CD1-CH2 3.77Å; I176-W203 HydrophobicContact CD1-CZ2 4.43Å; I176-W203 HydrophobicContact CD1-CZ3 3.94Å; I176-W203 HydrophobicContact CG1-CH2 4.3Å; V179-W203 HydrophobicContact CG1-CG 4.46Å; V179-W203 HydrophobicContact CG2-CD2 4.42Å; V179-W203 HydrophobicContact CG2-CG 4.27Å; A199-W203 WeakPolarHBondContact O-CB 3.45Å; A199-W203 PolarHBondContact O-N 3.2Å; A199-W203 VanDerWaalsContact O-N 3.14Å; C200-W203 PolarHBondContact O-N 3.18Å; I201-W203 VanDerWaalsContact C-N 3.33Å; I201-W203 PolarHBondContact O-N 2.93Å; W203-R211 HydrophobicContact CE3-CB 4.39Å; W203-R211 HydrophobicContact CE3-CG 4.5Å; W203-R211 HydrophobicContact CH2-CB 4.26Å; W203-R211 HydrophobicContact CH2-CG 3.84Å; W203-R211 HydrophobicContact CZ2-CG 4.41Å; W203-R211 HydrophobicContact CZ3-CB 3.83Å; W203-R211 HydrophobicContact CZ3-CG 3.89Å; W203-R211 WeakPolarHBondContact O-CD 3.42Å; W203-R211 PolarHBondContact O-NH1 3.4Å; W203-Y214 HydrophobicContact CH2-CD2 4.08Å; W203-Y214 HydrophobicContact CZ3-CD2 4.29Å; W203-L218 HydrophobicContact CE3-CD1 3.95Å; W203-L218 HydrophobicContact CZ3-CD1 4.2Å
204V94.7Very high92.4Very high0 Ų056.4 Ų56.40%029%0.291CS..Hα-helixtrans-69.6-41.7176.4175.90000111C200 I201 N202 Q206 S207 S208 R211 L215 L218 L241C200-V204 WeakPolarHBondContact O-CG2 3.26Å; C200-V204 PolarHBondContact O-N 2.82Å; I201-V204 PolarHBondContact O-N 3.2Å; I201-V204 VanDerWaalsContact O-N 3.16Å; N202-V204 PolarHBondContact O-N 3.27Å; V204-Q206 VanDerWaalsContact C-N 3.32Å; V204-Q206 PolarHBondContact O-N 2.99Å; V204-S207 CarbonylContact O-C 3.55Å; V204-S207 PolarHBondContact O-N 2.96Å; V204-S208 VanDerWaalsContact O-CA 3.28Å; V204-S208 WeakPolarHBondContact O-CA 3.41Å; V204-S208 PolarHBondContact O-N 3.19Å; V204-R211 HydrophobicContact CG1-CB 4.33Å; V204-L215 HydrophobicContact CG2-CD1 4.32Å; V204-L218 HydrophobicContact CG2-CD1 3.64Å; V204-L241 HydrophobicContact CB-CD1 4.29Å; V204-L241 HydrophobicContact CG1-CD1 4.04Å; V204-L241 HydrophobicContact CG1-CD2 4.33Å
205D93.1Very high92.7Very high97 Ų9752.4 Ų52.452%0.51927%0.273SS..Hα-helixtrans-60.9-37.8-175.7-162.844.6000112.7I201 N202 S207 S208 L241I201-D205 WeakPolarHBondContact O-CB 3.33Å; I201-D205 PolarHBondContact O-N 3.12Å; N202-D205 PolarHBondContact O-N 3.3Å; D205-S207 PolarHBondContact O-N 3.26Å; D205-S208 PolarHBondContact O-N 2.98Å; D205-L241 HydrophobicContact CB-CD1 4.05Å
206Q91.8Very high92.9Very high104 Ų10449.8 Ų49.849%0.48626%0.264SS..THydrogen-bonded Turntrans-53.4-29.5178.1-176.163.531.200114T172 N202 V204T172-Q206 HydrophobicContact CG2-CB 4.45Å; N202-Q206 PolarHBondContact O-N 3.33Å; V204-Q206 VanDerWaalsContact C-N 3.32Å; V204-Q206 PolarHBondContact O-N 2.99Å
207S91.1Very high92.9Very high46 Ų4654.1 Ų54.132%0.32228%0.284SS..THydrogen-bonded Turntrans-149.657.8176.7-60.50000110.5V204 D205 E209 T210 R211V204-S207 CarbonylContact O-C 3.55Å; V204-S207 PolarHBondContact O-N 2.96Å; D205-S207 PolarHBondContact O-N 3.26Å; S207-E209 PolarHBondContact O-N 3.29Å; S207-E209 VanDerWaalsContact O-N 3.14Å; S207-T210 PolarHBondContact O-N 2.94Å; S207-T210 PolarHBondContact O-OG1 3.11Å; S207-R211 WeakPolarHBondContact O-CB 2.99Å; S207-R211 PolarHBondContact O-N 2.65Å
208S89.8Confident92.9Very high43 Ų4354.1 Ų54.130%0.30128%0.284SS..Hα-helixtrans-48-43.8-173.457.10000113.4V204 D205 T210 R211 I212V204-S208 VanDerWaalsContact O-CA 3.28Å; V204-S208 WeakPolarHBondContact O-CA 3.41Å; V204-S208 PolarHBondContact O-N 3.19Å; D205-S208 PolarHBondContact O-N 2.98Å; S208-T210 PolarHBondContact O-N 3.06Å; S208-T210 VanDerWaalsContact O-N 3.17Å; S208-R211 PolarHBondContact O-N 3Å; S208-I212 VanDerWaalsContact O-CB 3.29Å; S208-I212 WeakPolarHBondContact O-CB 3.41Å; S208-I212 WeakPolarHBondContact O-CG2 3.49Å; S208-I212 PolarHBondContact O-N 3.1Å; S208-I212 VanDerWaalsContact O-N 3.1Å
209E89Confident92.9Very high186 Ų18650.6 Ų50.687%0.86927%0.265SS*.Hα-helixtrans-55.6-35179.9-63-176.4178.600114.1S207S207-E209 PolarHBondContact O-N 3.29Å; S207-E209 VanDerWaalsContact O-N 3.14Å
210T92.2Very high92.8Very high95 Ų9552.7 Ų52.758%0.58328%0.28SS*.Hα-helixtrans-104.7-27.1-176.660.30000112.8S207 S208S207-T210 PolarHBondContact O-N 2.94Å; S207-T210 PolarHBondContact O-OG1 3.11Å; S208-T210 PolarHBondContact O-N 3.06Å; S208-T210 VanDerWaalsContact O-N 3.17Å
211R94.2Very high92.6Very high33 Ų3354.9 Ų54.913%0.12529%0.29CS..Hα-helixtrans-96.7-17.7-170.7-66.8-177.7-178.1-176.5-0.9114.4T172 W203 V204 S207 S208 V213 Y214T172-R211 VanDerWaalsContact O-CZ 3.26Å; T172-R211 PolarHBondContact O-NH1 2.91Å; T172-R211 PolarHBondContact O-NH2 3Å; W203-R211 HydrophobicContact CE3-CB 4.39Å; W203-R211 HydrophobicContact CE3-CG 4.5Å; W203-R211 HydrophobicContact CH2-CB 4.26Å; W203-R211 HydrophobicContact CH2-CG 3.84Å; W203-R211 HydrophobicContact CZ2-CG 4.41Å; W203-R211 HydrophobicContact CZ3-CB 3.83Å; W203-R211 HydrophobicContact CZ3-CG 3.89Å; W203-R211 WeakPolarHBondContact O-CD 3.42Å; W203-R211 PolarHBondContact O-NH1 3.4Å; V204-R211 HydrophobicContact CG1-CB 4.33Å; S207-R211 WeakPolarHBondContact O-CB 2.99Å; S207-R211 PolarHBondContact O-N 2.65Å; S208-R211 PolarHBondContact O-N 3Å; R211-V213 PolarHBondContact O-N 3.42Å; R211-Y214 PolarHBondContact O-N 2.92Å
212I92.3Very high92.4Very high27 Ų2753.8 Ų53.814%0.13828%0.284CS..G310 helixtrans-56.8-27.6-179.7-165166.9000113.2S208 Y214 L215 E244S208-I212 VanDerWaalsContact O-CB 3.29Å; S208-I212 WeakPolarHBondContact O-CB 3.41Å; S208-I212 WeakPolarHBondContact O-CG2 3.49Å; S208-I212 PolarHBondContact O-N 3.1Å; S208-I212 VanDerWaalsContact O-N 3.1Å; I212-Y214 PolarHBondContact O-N 3.2Å; I212-L215 VanDerWaalsContact O-CB 3.26Å; I212-L215 WeakPolarHBondContact O-CB 3.49Å; I212-L215 PolarHBondContact O-N 3Å; I212-E244 HydrophobicContact CD1-CB 3.81Å; I212-E244 HydrophobicContact CD1-CG 3.65Å; I212-E244 WeakPolarHBondContact CD1-OE2 3.49Å
213V93.1Very high92.2Very high113 Ų11350.3 Ų50.369%0.68527%0.265SS*.G310 helixtrans-62.1-29.1176.9-177.90000112.3R211 P216R211-V213 PolarHBondContact O-N 3.42Å; V213-P216 WeakPolarHBondContact O-CD 3.49Å
214Y94Very high91.8Very high90 Ų9050.1 Ų50.135%0.35327%0.265SS..G310 helixtrans-87.3-10.9180-56.9-69.6000113.5I176 W203 R211 I212 Q217 L218I176-Y214 HydrophobicContact CD1-CD1 4.41Å; I176-Y214 HydrophobicContact CD1-CG 4.11Å; I176-Y214 HydrophobicContact CG1-CD1 3.85Å; I176-Y214 HydrophobicContact CG1-CE1 4.37Å; I176-Y214 HydrophobicContact CG1-CG 3.97Å; I176-Y214 HydrophobicContact CG2-CE1 4.28Å; W203-Y214 HydrophobicContact CH2-CD2 4.08Å; W203-Y214 HydrophobicContact CZ3-CD2 4.29Å; R211-Y214 PolarHBondContact O-N 2.92Å; I212-Y214 PolarHBondContact O-N 3.2Å; Y214-Q217 WeakPolarHBondContact O-CA 3.41Å; Y214-Q217 WeakPolarHBondContact O-CB 3.32Å; Y214-Q217 PolarHBondContact O-N 3.21Å; Y214-L218 PolarHBondContact O-N 3.17Å
215L93.4Very high91.2Very high1 Ų156.2 Ų56.21%0.00529%0.291CS..Hα-helixtrans-54.1-44.7-178.2178.966.9000113.2I201 V204 I212 Q217 L218 L219 I242 A248I201-L215 HydrophobicContact CD1-CD1 4.15Å; V204-L215 HydrophobicContact CG2-CD1 4.32Å; I212-L215 VanDerWaalsContact O-CB 3.26Å; I212-L215 WeakPolarHBondContact O-CB 3.49Å; I212-L215 PolarHBondContact O-N 3Å; L215-Q217 VanDerWaalsContact C-N 3.28Å; L215-Q217 PolarHBondContact O-N 2.89Å; L215-L218 PolarHBondContact O-N 3.14Å; L215-L219 HydrophobicContact CD1-CG 4.35Å; L215-L219 HydrophobicContact CG-CD1 4.35Å; L215-L219 WeakPolarHBondContact O-CG 3.42Å; L215-L219 PolarHBondContact O-N 2.69Å; L215-I242 HydrophobicContact CD1-CD1 4.46Å; L215-I242 HydrophobicContact CD2-CD1 4.09Å; L215-A248 HydrophobicContact CD2-CB 3.84Å; L215-A248 HydrophobicContact CG-CB 4.19Å
216P91.9Very high90.7Very high25 Ų2556.3 Ų56.316%0.16229%0.285CS..Hα-helixtrans-60.6-35.9175.8-24.436.4000113.6V213 S220 I247 I251V213-P216 WeakPolarHBondContact O-CD 3.49Å; P216-S220 PolarHBondContact O-N 3.12Å; P216-I247 HydrophobicContact CB-CB 4.48Å; P216-I247 HydrophobicContact CB-CG2 3.76Å; P216-I247 HydrophobicContact CG-CB 3.93Å; P216-I247 HydrophobicContact CG-CG2 3.74Å; P216-I251 HydrophobicContact CB-CD1 4.03Å
217Q92.7Very high90.3Very high90 Ų9051.8 Ų51.842%0.42126%0.264SS..Hα-helixtrans-68.9-43.4177.7-172.2176.6700110.7I180 Y214 L215 L219 S220 H221I180-Q217 HydrophobicContact CD1-CG 3.8Å; Y214-Q217 WeakPolarHBondContact O-CA 3.41Å; Y214-Q217 WeakPolarHBondContact O-CB 3.32Å; Y214-Q217 PolarHBondContact O-N 3.21Å; L215-Q217 VanDerWaalsContact C-N 3.28Å; L215-Q217 PolarHBondContact O-N 2.89Å; Q217-L219 PolarHBondContact O-N 3.19Å; Q217-S220 PolarHBondContact O-N 3.21Å; Q217-S220 PolarHBondContact O-OG 3.14Å; Q217-H221 PolarHBondContact O-CD2 3.46Å; Q217-H221 VanDerWaalsContact O-CD2 3.23Å
218L94.1Very high89.9Confident1 Ų155.6 Ų55.61%0.00528%0.276CS..Hα-helixtrans-59.9-47.1174.8-65.5171.1000111.4I176 V179 I180 I183 C200 W203 V204 Y214 L215 S220 H221 I222I176-L218 HydrophobicContact CD1-CD2 3.83Å; I176-L218 HydrophobicContact CD1-CG 4.27Å; V179-L218 HydrophobicContact CG1-CD2 3.9Å; I180-L218 HydrophobicContact CG1-CD2 4.2Å; I183-L218 HydrophobicContact CD1-CD2 3.66Å; C200-L218 HydrophobicContact CB-CB 4.39Å; C200-L218 HydrophobicContact CB-CD1 4.39Å; W203-L218 HydrophobicContact CE3-CD1 3.95Å; W203-L218 HydrophobicContact CZ3-CD1 4.2Å; V204-L218 HydrophobicContact CG2-CD1 3.64Å; Y214-L218 PolarHBondContact O-N 3.17Å; L215-L218 PolarHBondContact O-N 3.14Å; L218-S220 PolarHBondContact O-N 3.36Å; L218-H221 PolarHBondContact O-N 3.4Å; L218-I222 PolarHBondContact O-N 3.06Å
219L92.3Very high89.6Confident1 Ų157 Ų571%0.00528%0.277CS..Hα-helixtrans-58.9-31.5178-70.4178000113W197 L215 Q217 H221 I222 A248 N271W197-L219 HydrophobicContact CE3-CD2 4.16Å; W197-L219 HydrophobicContact CH2-CD2 4Å; W197-L219 HydrophobicContact CZ3-CD2 3.54Å; L215-L219 HydrophobicContact CD1-CG 4.35Å; L215-L219 HydrophobicContact CG-CD1 4.35Å; L215-L219 WeakPolarHBondContact O-CG 3.42Å; L215-L219 PolarHBondContact O-N 2.69Å; Q217-L219 PolarHBondContact O-N 3.19Å; L219-H221 PolarHBondContact O-N 2.85Å; L219-I222 HydrophobicContact CD2-CD1 3.93Å; L219-I222 PolarHBondContact O-N 3.1Å; L219-A248 HydrophobicContact CD1-CB 3.53Å; L219-N271 PolarHBondContact O-ND2 3.1Å
220S90.2Very high89.5Confident47 Ų4753.7 Ų53.733%0.32926%0.262SS..Hα-helixtrans-66.6-20.417776.70000113.6P216 Q217 L218 N271P216-S220 PolarHBondContact O-N 3.12Å; Q217-S220 PolarHBondContact O-N 3.21Å; Q217-S220 PolarHBondContact O-OG 3.14Å; L218-S220 PolarHBondContact O-N 3.36Å; S220-N271 PolarHBondContact O-ND2 3.49Å; S220-N271 PolarHBondContact O-OD1 3.11Å
221H91.3Very high89.3Confident48 Ų4850 Ų5022%0.22224%0.238CC..Hα-helixtrans-98.9-7.9176.8-63.7-69.5000113.8I183 Q217 L218 L219I183-H221 HydrophobicContact CG2-CB 3.72Å; Q217-H221 PolarHBondContact O-CD2 3.46Å; Q217-H221 VanDerWaalsContact O-CD2 3.23Å; L218-H221 PolarHBondContact O-N 3.4Å; L219-H221 PolarHBondContact O-N 2.85Å
222I91.4Very high89Confident1 Ų148.4 Ų48.41%0.00523%0.232CC..SBendtrans-81.6134.2173.1-57.4176.7000109.1V196 W197 C200 L218 L219 L224 L227 N271V196-I222 HydrophobicContact CG1-CG1 4.29Å; W197-I222 HydrophobicContact CB-CD1 4.48Å; W197-I222 HydrophobicContact CE3-CD1 3.94Å; C200-I222 HydrophobicContact CB-CD1 4.23Å; L218-I222 PolarHBondContact O-N 3.06Å; L219-I222 HydrophobicContact CD2-CD1 3.93Å; L219-I222 PolarHBondContact O-N 3.1Å; I222-L224 HydrophobicContact CB-CD2 4.2Å; I222-L224 HydrophobicContact CG2-CD2 3.95Å; I222-L224 PolarHBondContact O-N 3.12Å; I222-L227 HydrophobicContact CG2-CD1 4.02Å; I222-N271 PolarHBondContact O-ND2 3.41Å
223R88Confident88.9Confident3 Ų350.9 Ų50.91%0.01124%0.243CC..  trans-83.174.5178.4-53.4166.1179.562.78.2109.8D186 E193 K225 Y226 L273 P274D186-R223 IonicContact OD1-CZ 2.79Å; D186-R223 IonicContact OD1-NH2 2.76Å; D186-R223 PolarHBondContact OD1-NH2 3.45Å; E193-R223 HydrophobicContact CG-CB 4.06Å; E193-R223 IonicContact OE1-CZ 3.38Å; E193-R223 IonicContact OE1-NH1 3.88Å; E193-R223 PolarHBondContact OE1-NH1 2.71Å; E193-R223 VanDerWaalsContact OE1-NH1 3.1Å; E193-R223 PolarHBondContact OE2-N 2.75Å; E193-R223 IonicContact OE2-NH1 2.73Å; R223-K225 PolarHBondContact O-N 3.16Å; R223-Y226 HydrophobicContact CB-CD2 3.59Å; R223-Y226 HydrophobicContact CB-CE2 4.12Å; R223-Y226 HydrophobicContact CG-CD2 4.5Å; R223-Y226 PolarHBondContact O-N 3.02Å; R223-L273 HydrophobicContact CG-CB 3.78Å; R223-L273 HydrophobicContact CG-CD1 4.38Å; R223-P274 WeakPolarHBondContact CD-O 3.48Å; R223-P274 PolarHBondContact NE-O 3.46Å
224L87.3Confident88.7Confident2 Ų249.2 Ų49.21%0.0123%0.23CC..G310 helixtrans-50.4-27.8-175.9-59.1178.8000113.6W197 I222 Y226 L227 L232 I251 F255W197-L224 HydrophobicContact CE3-CD2 4.39Å; W197-L224 HydrophobicContact CZ3-CD2 4.07Å; I222-L224 HydrophobicContact CB-CD2 4.2Å; I222-L224 HydrophobicContact CG2-CD2 3.95Å; I222-L224 PolarHBondContact O-N 3.12Å; L224-Y226 PolarHBondContact O-N 3.24Å; L224-L227 HydrophobicContact CD2-CD1 3.93Å; L224-L227 PolarHBondContact O-N 3.25Å; L224-L232 HydrophobicContact CD2-CD2 4.39Å; L224-I251 HydrophobicContact CD1-CG2 4.11Å; L224-F255 HydrophobicContact CB-CD1 3.86Å; L224-F255 HydrophobicContact CB-CD2 3.99Å; L224-F255 HydrophobicContact CB-CE1 3.97Å; L224-F255 HydrophobicContact CB-CE2 4.1Å; L224-F255 HydrophobicContact CB-CG 3.92Å; L224-F255 HydrophobicContact CB-CZ 4.14Å; L224-F255 HydrophobicContact CD1-CB 4.12Å; L224-F255 HydrophobicContact CD1-CD1 4.48Å; L224-F255 HydrophobicContact CD1-CG 4.1Å; L224-F255 WeakPolarHBondContact O-CE1 3.02Å; L224-F255 WeakPolarHBondContact O-CZ 3.44Å
225K83Confident88.5Confident128 Ų12846.8 Ų46.856%0.55722%0.221SC*.G310 helixtrans-57.3-26.2174.2-172.3174.9177.91790115.2R223 F255R223-K225 PolarHBondContact O-N 3.16Å; K225-F255 VanDerWaalsContact CA-CZ 3.46Å; K225-F255 HydrophobicContact CB-CE2 4.19Å; K225-F255 HydrophobicContact CB-CZ 4.2Å
226Y81Confident88.4Confident99 Ų9947.9 Ų47.939%0.38823%0.227SC..G310 helixtrans-105.513.1-177.8-53.9-80.9000112.8R223 L224 A275R223-Y226 HydrophobicContact CB-CD2 3.59Å; R223-Y226 HydrophobicContact CB-CE2 4.12Å; R223-Y226 HydrophobicContact CG-CD2 4.5Å; R223-Y226 PolarHBondContact O-N 3.02Å; L224-Y226 PolarHBondContact O-N 3.24Å; Y226-A275 HydrophobicContact CD1-CB 4.28Å; Y226-A275 HydrophobicContact CD2-CB 4.36Å; Y226-A275 HydrophobicContact CE1-CB 3.7Å; Y226-A275 VanDerWaalsContact CE2-CA 3.45Å; Y226-A275 HydrophobicContact CE2-CB 3.81Å; Y226-A275 VanDerWaalsContact CZ-CB 3.43Å; Y226-A275 PolarHBondContact OH-N 3.5Å; Y226-A275 VanDerWaalsContact OH-N 3.11Å
227L84.5Confident88.2Confident9 Ų953.5 Ų53.55%0.04725%0.251CS..SBendtrans-94.1148.5167.9-66.4173.6000110.2E193 Q194 W197 I222 L224 M231 L232E193-L227 VanDerWaalsContact C-CD2 3.45Å; E193-L227 HydrophobicContact CB-CD2 3.79Å; E193-L227 HydrophobicContact CB-CG 4.19Å; Q194-L227 HydrophobicContact CB-CD2 4.14Å; Q194-L227 VanDerWaalsContact N-CD2 3.33Å; W197-L227 HydrophobicContact CD2-CD1 4.46Å; W197-L227 HydrophobicContact CE3-CD1 3.76Å; W197-L227 HydrophobicContact CZ3-CD1 4.39Å; I222-L227 HydrophobicContact CG2-CD1 4.02Å; L224-L227 HydrophobicContact CD2-CD1 3.93Å; L224-L227 PolarHBondContact O-N 3.25Å; L227-M231 HydrophobicContact CD2-CE 4.3Å; L227-M231 HydrophobicContact CD2-SD 3.94Å; L227-L232 HydrophobicContact CB-CD1 4.3Å; L227-L232 HydrophobicContact CB-CD2 4.34Å; L227-L232 HydrophobicContact CB-CG 4.18Å; L227-L232 HydrophobicContact CD1-CD2 3.84Å
228E82.1Confident88.1Confident125 Ų12555.9 Ų55.958%0.58426%0.262SS*.  trans-66.2141.5175.1-65.7-172164.300110.8E230 M231 L232E228-E230 VanDerWaalsContact C-N 3.31Å; E228-E230 PolarHBondContact O-N 2.95Å; E228-M231 HydrophobicContact CB-CB 4.21Å; E228-M231 WeakPolarHBondContact O-CB 3.42Å; E228-M231 PolarHBondContact O-N 2.73Å; E228-L232 PolarHBondContact O-N 3.15Å
229K83.9Confident87.8Confident73 Ų7356.7 Ų56.732%0.31727%0.267SS..Hα-helixtrans-59.6-46.4-179.2-174.8179.4167.4179.40110.8M231 L232 E233 L256 Y260K229-M231 VanDerWaalsContact C-N 3.27Å; K229-M231 PolarHBondContact O-N 3.23Å; K229-L232 PolarHBondContact O-N 3.15Å; K229-E233 WeakPolarHBondContact CE-OE1 3.42Å; K229-E233 IonicContact NZ-OE1 2.85Å; K229-E233 WeakPolarHBondContact O-CG 3.34Å; K229-E233 PolarHBondContact O-N 2.97Å; K229-L256 HydrophobicContact CG-CD2 4.11Å; K229-Y260 HydrophobicContact CB-CE1 4.33Å; K229-Y260 HydrophobicContact CB-CE2 4.08Å; K229-Y260 WeakPolarHBondContact CB-OH 3.42Å; K229-Y260 HydrophobicContact CD-CD1 4.08Å; K229-Y260 HydrophobicContact CD-CD2 4.05Å; K229-Y260 HydrophobicContact CD-CE1 3.94Å; K229-Y260 HydrophobicContact CD-CE2 3.92Å; K229-Y260 HydrophobicContact CD-CG 4.14Å; K229-Y260 HydrophobicContact CG-CD2 4.3Å; K229-Y260 HydrophobicContact CG-CE1 4.43Å; K229-Y260 HydrophobicContact CG-CE2 3.79Å
230E85.7Confident87.7Confident117 Ų11760.9 Ų60.955%0.54729%0.294SS..Hα-helixtrans-59.2-40.7-179.4-65.177.5-172.100110.8E228 E233 I234E228-E230 VanDerWaalsContact C-N 3.31Å; E228-E230 PolarHBondContact O-N 2.95Å; E230-E233 PolarHBondContact O-N 2.69Å; E230-I234 WeakPolarHBondContact O-CD1 3.41Å; E230-I234 VanDerWaalsContact O-CG1 3.22Å; E230-I234 WeakPolarHBondContact O-CG1 3.2Å; E230-I234 PolarHBondContact O-N 3.24Å
231M88.2Confident87.8Confident17 Ų1759 Ų598%0.08428%0.28CS..Hα-helixtrans-60.3-50.2175.4179.4-168.9168.400111Q194 W197 L227 E228 K229 E233 I234 Q235Q194-M231 HydrophobicContact CB-CE 4.17Å; Q194-M231 HydrophobicContact CB-SD 4.05Å; Q194-M231 HydrophobicContact CG-CE 3.66Å; Q194-M231 HydrophobicContact CG-SD 3.85Å; W197-M231 HydrophobicContact CB-CE 4.04Å; W197-M231 VanDerWaalsContact CD1-CE 3.45Å; W197-M231 HydrophobicContact CD2-CE 4.08Å; W197-M231 HydrophobicContact CG-CE 3.59Å; L227-M231 HydrophobicContact CD2-CE 4.3Å; L227-M231 HydrophobicContact CD2-SD 3.94Å; E228-M231 HydrophobicContact CB-CB 4.21Å; E228-M231 WeakPolarHBondContact O-CB 3.42Å; E228-M231 PolarHBondContact O-N 2.73Å; K229-M231 VanDerWaalsContact C-N 3.27Å; K229-M231 PolarHBondContact O-N 3.23Å; M231-E233 VanDerWaalsContact C-N 3.31Å; M231-E233 PolarHBondContact O-N 2.65Å; M231-I234 PolarHBondContact O-N 3.18Å; M231-Q235 HydrophobicContact CG-CG 4.37Å; M231-Q235 VanDerWaalsContact O-CG 3.23Å; M231-Q235 WeakPolarHBondContact O-CG 3.35Å; M231-Q235 PolarHBondContact O-N 3.01Å
232L88.1Confident87.8Confident0 Ų056.7 Ų56.70%027%0.269CS..Hα-helixtrans-62.1-38.1-179.3-69.6174.5000112.5W197 L224 L227 E228 K229 Q235 L236 I252 F255 L256W197-L232 HydrophobicContact CH2-CD2 4.39Å; W197-L232 HydrophobicContact CZ3-CD2 4.03Å; L224-L232 HydrophobicContact CD2-CD2 4.39Å; L227-L232 HydrophobicContact CB-CD1 4.3Å; L227-L232 HydrophobicContact CB-CD2 4.34Å; L227-L232 HydrophobicContact CB-CG 4.18Å; L227-L232 HydrophobicContact CD1-CD2 3.84Å; E228-L232 PolarHBondContact O-N 3.15Å; K229-L232 PolarHBondContact O-N 3.15Å; L232-Q235 PolarHBondContact O-N 3.49Å; L232-L236 PolarHBondContact O-N 3.39Å; L232-L236 VanDerWaalsContact O-N 3.11Å; L232-I252 HydrophobicContact CB-CG2 4.21Å; L232-I252 HydrophobicContact CD2-CG2 4.25Å; L232-F255 HydrophobicContact CD1-CD1 3.86Å; L232-F255 HydrophobicContact CD1-CE1 3.73Å; L232-L256 HydrophobicContact CB-CD1 4.37Å; L232-L256 HydrophobicContact CB-CD2 4.06Å; L232-L256 HydrophobicContact CD1-CD2 3.95Å
233E89.7Confident87.7Confident78 Ų7860.6 Ų60.636%0.36429%0.29SS..Hα-helixtrans-66.1-42.1176.1-72.3-180168.500112.1K229 E230 M231 L236 Q237 L256K229-E233 WeakPolarHBondContact CE-OE1 3.42Å; K229-E233 IonicContact NZ-OE1 2.85Å; K229-E233 WeakPolarHBondContact O-CG 3.34Å; K229-E233 PolarHBondContact O-N 2.97Å; E230-E233 PolarHBondContact O-N 2.69Å; M231-E233 VanDerWaalsContact C-N 3.31Å; M231-E233 PolarHBondContact O-N 2.65Å; E233-L236 PolarHBondContact O-N 3.18Å; E233-Q237 WeakPolarHBondContact O-CG 3.47Å; E233-Q237 PolarHBondContact O-N 2.85Å; E233-L256 HydrophobicContact CG-CD1 4.11Å
234I90.3Very high87.8Confident79 Ų7966.9 Ų66.941%0.40532%0.319SS..Hα-helixtrans-62.7-46.4174.6-69.2164.7000110.3E230 M231 L236 Q237 E238E230-I234 WeakPolarHBondContact O-CD1 3.41Å; E230-I234 VanDerWaalsContact O-CG1 3.22Å; E230-I234 WeakPolarHBondContact O-CG1 3.2Å; E230-I234 PolarHBondContact O-N 3.24Å; M231-I234 PolarHBondContact O-N 3.18Å; I234-L236 VanDerWaalsContact C-N 3.27Å; I234-L236 PolarHBondContact O-N 3.39Å; I234-Q237 PolarHBondContact O-N 2.93Å; I234-E238 HydrophobicContact CG2-CB 4.44Å; I234-E238 HydrophobicContact CG2-CG 4.27Å; I234-E238 WeakPolarHBondContact O-CB 3.47Å; I234-E238 PolarHBondContact O-N 3.46Å
235Q90.3Very high87.9Confident38 Ų3867.5 Ų67.518%0.17832%0.323CS..Hα-helixtrans-61.4-34.3179.7-66.4-64.3-47.100112.5W197 M231 L232 Q237 N239W197-Q235 HydrophobicContact CH2-CB 4.34Å; W197-Q235 HydrophobicContact CZ2-CB 3.74Å; W197-Q235 HydrophobicContact CZ2-CG 3.66Å; M231-Q235 HydrophobicContact CG-CG 4.37Å; M231-Q235 VanDerWaalsContact O-CG 3.23Å; M231-Q235 WeakPolarHBondContact O-CG 3.35Å; M231-Q235 PolarHBondContact O-N 3.01Å; L232-Q235 PolarHBondContact O-N 3.49Å; Q235-Q237 VanDerWaalsContact C-N 3.28Å; Q235-Q237 PolarHBondContact O-N 3.29Å; Q235-N239 VanDerWaalsContact O-CB 3.27Å; Q235-N239 WeakPolarHBondContact O-CB 3.35Å; Q235-N239 PolarHBondContact O-N 2.9Å; Q235-N239 PolarHBondContact OE1-ND2 3.05Å
236L89.4Confident88.3Confident24 Ų2469.3 Ų69.313%0.12633%0.331CS..Hα-helixtrans-67-25.6174.4-84.6170.9000113.9L232 E233 I234 I242 Q249 I252 R253 L256L232-L236 PolarHBondContact O-N 3.39Å; L232-L236 VanDerWaalsContact O-N 3.11Å; E233-L236 PolarHBondContact O-N 3.18Å; I234-L236 VanDerWaalsContact C-N 3.27Å; I234-L236 PolarHBondContact O-N 3.39Å; L236-I242 HydrophobicContact CD2-CG2 4.11Å; L236-Q249 HydrophobicContact CD2-CB 4.06Å; L236-Q249 HydrophobicContact CD2-CG 4.08Å; L236-I252 HydrophobicContact CD1-CB 4.3Å; L236-I252 HydrophobicContact CD1-CG2 3.66Å; L236-I252 HydrophobicContact CD2-CB 4.09Å; L236-I252 HydrophobicContact CD2-CD1 4.2Å; L236-I252 HydrophobicContact CD2-CG2 4.22Å; L236-I252 HydrophobicContact CG-CB 4.25Å; L236-I252 HydrophobicContact CG-CD1 4.46Å; L236-I252 HydrophobicContact CG-CG2 3.81Å; L236-R253 HydrophobicContact CD1-CG 4.04Å; L236-R253 HydrophobicContact CD2-CG 4.29Å; L236-L256 HydrophobicContact CD1-CD1 3.66Å
237Q88.4Confident88.8Confident143 Ų14369.6 Ų69.667%0.66834%0.339SS*.Hα-helixtrans-99-34.2-175.7-66.917824.600113E233 I234 Q235 I243E233-Q237 WeakPolarHBondContact O-CG 3.47Å; E233-Q237 PolarHBondContact O-N 2.85Å; I234-Q237 PolarHBondContact O-N 2.93Å; Q235-Q237 VanDerWaalsContact C-N 3.28Å; Q235-Q237 PolarHBondContact O-N 3.29Å; Q237-I243 WeakPolarHBondContact O-CD1 3.49Å
238E90.2Very high89Confident141 Ų14169.2 Ų69.266%0.65934%0.336SS*.Hα-helixtrans-114-24.8-166.9-60.6-172.4179.300114.1I234 P240I234-E238 HydrophobicContact CG2-CB 4.44Å; I234-E238 HydrophobicContact CG2-CG 4.27Å; I234-E238 WeakPolarHBondContact O-CB 3.47Å; I234-E238 PolarHBondContact O-N 3.46Å; E238-P240 WeakPolarHBondContact O-CD 3.42Å
239N88.9Confident89.5Confident17 Ų1764.4 Ų64.49%0.09131%0.314CS..  trans-82.8115.4-175.1-172.4-37.4000111.7Q235 L241 I242 I243Q235-N239 VanDerWaalsContact O-CB 3.27Å; Q235-N239 WeakPolarHBondContact O-CB 3.35Å; Q235-N239 PolarHBondContact O-N 2.9Å; Q235-N239 PolarHBondContact OE1-ND2 3.05Å; N239-L241 VanDerWaalsContact C-N 3.32Å; N239-L241 PolarHBondContact O-N 3.37Å; N239-L241 PolarHBondContact OD1-N 2.98Å; N239-I242 HydrophobicContact CB-CB 4.19Å; N239-I242 HydrophobicContact CB-CG1 3.87Å; N239-I242 PolarHBondContact O-N 3.13Å; N239-I243 WeakPolarHBondContact O-CD1 3.31Å; N239-I243 VanDerWaalsContact O-CG1 3.25Å; N239-I243 WeakPolarHBondContact O-CG1 3.18Å; N239-I243 PolarHBondContact O-N 2.99Å
240P90.8Very high89.8Confident89 Ų8965.7 Ų65.758%0.57832%0.324SS*.Hα-helixtrans-60.9-36.8-174.624.2-33.6000113.3E238 I242 I243 E244E238-P240 WeakPolarHBondContact O-CD 3.42Å; P240-I242 PolarHBondContact O-N 3.11Å; P240-I243 PolarHBondContact O-N 2.76Å; P240-E244 WeakPolarHBondContact O-CB 3.42Å; P240-E244 PolarHBondContact O-N 3.03Å
241L91Very high89.9Confident7 Ų762.3 Ų62.34%0.03731%0.31CS..Hα-helixtrans-67.8-36.8-179.2-60.8173.8000111.7I201 V204 D205 N239 S245I201-L241 HydrophobicContact CG2-CD1 4.18Å; V204-L241 HydrophobicContact CB-CD1 4.29Å; V204-L241 HydrophobicContact CG1-CD1 4.04Å; V204-L241 HydrophobicContact CG1-CD2 4.33Å; D205-L241 HydrophobicContact CB-CD1 4.05Å; N239-L241 VanDerWaalsContact C-N 3.32Å; N239-L241 PolarHBondContact O-N 3.37Å; N239-L241 PolarHBondContact OD1-N 2.98Å; L241-S245 PolarHBondContact O-N 2.92Å
242I90.5Very high90Very high0 Ų061.5 Ų61.50%031%0.306CS..Hα-helixtrans-70.1-44.2174.6-57.5-57.8000109.9W197 I201 L215 L236 N239 P240 E244 S245 A248 Q249 I252W197-I242 HydrophobicContact CH2-CD1 4.08Å; W197-I242 HydrophobicContact CZ2-CD1 4.07Å; W197-I242 HydrophobicContact CZ2-CG1 4.26Å; I201-I242 HydrophobicContact CD1-CD1 4.19Å; L215-I242 HydrophobicContact CD1-CD1 4.46Å; L215-I242 HydrophobicContact CD2-CD1 4.09Å; L236-I242 HydrophobicContact CD2-CG2 4.11Å; N239-I242 HydrophobicContact CB-CB 4.19Å; N239-I242 HydrophobicContact CB-CG1 3.87Å; N239-I242 PolarHBondContact O-N 3.13Å; P240-I242 PolarHBondContact O-N 3.11Å; I242-E244 VanDerWaalsContact C-N 3.26Å; I242-E244 PolarHBondContact O-N 2.95Å; I242-S245 PolarHBondContact O-N 2.82Å; I242-A248 HydrophobicContact CD1-CB 4.46Å; I242-Q249 HydrophobicContact CG2-CG 4Å; I242-Q249 WeakPolarHBondContact O-CG 3.46Å; I242-Q249 PolarHBondContact O-NE2 3.39Å; I242-I252 HydrophobicContact CD1-CD1 4.2Å; I242-I252 HydrophobicContact CG2-CD1 3.78Å
243I90.2Very high90Very high84 Ų8467.2 Ų67.243%0.43133%0.327SS..Hα-helixtrans-63.2-32.8-179.4-65.3163.1000111.9Q237 N239 P240 Q249Q237-I243 WeakPolarHBondContact O-CD1 3.49Å; N239-I243 WeakPolarHBondContact O-CD1 3.31Å; N239-I243 VanDerWaalsContact O-CG1 3.25Å; N239-I243 WeakPolarHBondContact O-CG1 3.18Å; N239-I243 PolarHBondContact O-N 2.99Å; P240-I243 PolarHBondContact O-N 2.76Å; I243-Q249 PolarHBondContact O-NE2 3.07Å
244E89.6Confident89.9Confident134 Ų13467 Ų6763%0.62632%0.323SS*.Hα-helixtrans-74.6-37.1177.1-173174-177.300112.5I212 P240 I242 K246I212-E244 HydrophobicContact CD1-CB 3.81Å; I212-E244 HydrophobicContact CD1-CG 3.65Å; I212-E244 WeakPolarHBondContact CD1-OE2 3.49Å; P240-E244 WeakPolarHBondContact O-CB 3.42Å; P240-E244 PolarHBondContact O-N 3.03Å; I242-E244 VanDerWaalsContact C-N 3.26Å; I242-E244 PolarHBondContact O-N 2.95Å; E244-K246 PolarHBondContact O-N 2.87Å
245S90.5Very high89.6Confident15 Ų1564 Ų6411%0.10531%0.308CS..  trans-89.498.9-178.4-176.80000113.2L241 I242 I247 A248 Q249L241-S245 PolarHBondContact O-N 2.92Å; I242-S245 PolarHBondContact O-N 2.82Å; S245-I247 PolarHBondContact O-N 3.06Å; S245-A248 PolarHBondContact O-N 3.13Å; S245-A248 VanDerWaalsContact O-N 3.15Å; S245-A248 WeakPolarHBondContact OG-CB 3.21Å; S245-A248 PolarHBondContact OG-N 2.69Å; S245-Q249 PolarHBondContact O-N 2.86Å; S245-Q249 VanDerWaalsContact O-N 3.08Å
246K90.5Very high89.4Confident166 Ų16663.3 Ų63.372%0.72231%0.305SS*.Hα-helixtrans-55.6-35.5175.4-68.8-178.4-177.7174.90113.1E244 N250E244-K246 PolarHBondContact O-N 2.87Å; K246-N250 PolarHBondContact O-N 2.9Å; K246-N250 VanDerWaalsContact O-N 3.09Å; K246-N250 PolarHBondContact O-ND2 3.44Å; K246-N250 PolarHBondContact O-OD1 2.77Å
247I91.1Very high89Confident106 Ų10666.9 Ų66.954%0.54432%0.321SS..Hα-helixtrans-67.8-46.3179.7-58175.2000109.9P216 S245 Q249 N250 I251P216-I247 HydrophobicContact CB-CB 4.48Å; P216-I247 HydrophobicContact CB-CG2 3.76Å; P216-I247 HydrophobicContact CG-CB 3.93Å; P216-I247 HydrophobicContact CG-CG2 3.74Å; S245-I247 PolarHBondContact O-N 3.06Å; I247-Q249 VanDerWaalsContact C-N 3.34Å; I247-Q249 PolarHBondContact O-N 3.48Å; I247-N250 PolarHBondContact O-N 3.46Å; I247-I251 HydrophobicContact CG2-CD1 4.23Å; I247-I251 WeakPolarHBondContact O-CG1 3.49Å; I247-I251 PolarHBondContact O-N 3.41Å
248A90Very high88.4Confident0 Ų061.6 Ų61.60%030%0.297CS..Hα-helixtrans-58.9-45176.800000111.8L215 L219 I242 S245 N250 I251 I252L215-A248 HydrophobicContact CD2-CB 3.84Å; L215-A248 HydrophobicContact CG-CB 4.19Å; L219-A248 HydrophobicContact CD1-CB 3.53Å; I242-A248 HydrophobicContact CD1-CB 4.46Å; S245-A248 PolarHBondContact O-N 3.13Å; S245-A248 VanDerWaalsContact O-N 3.15Å; S245-A248 WeakPolarHBondContact OG-CB 3.21Å; S245-A248 PolarHBondContact OG-N 2.69Å; A248-N250 VanDerWaalsContact C-N 3.31Å; A248-N250 PolarHBondContact O-N 2.97Å; A248-I251 PolarHBondContact O-N 2.82Å; A248-I252 WeakPolarHBondContact O-CG1 3.31Å; A248-I252 PolarHBondContact O-N 2.96Å; A248-I252 VanDerWaalsContact O-N 3.1Å
249Q91.5Very high87.4Confident24 Ų2457.4 Ų57.411%0.11229%0.287CS..Hα-helixtrans-61.6-40.4176.7-65.2169.846.800112.5L236 I242 I243 S245 I247 I251 I252 R253L236-Q249 HydrophobicContact CD2-CB 4.06Å; L236-Q249 HydrophobicContact CD2-CG 4.08Å; I242-Q249 HydrophobicContact CG2-CG 4Å; I242-Q249 WeakPolarHBondContact O-CG 3.46Å; I242-Q249 PolarHBondContact O-NE2 3.39Å; I243-Q249 PolarHBondContact O-NE2 3.07Å; S245-Q249 PolarHBondContact O-N 2.86Å; S245-Q249 VanDerWaalsContact O-N 3.08Å; I247-Q249 VanDerWaalsContact C-N 3.34Å; I247-Q249 PolarHBondContact O-N 3.48Å; Q249-I251 VanDerWaalsContact C-N 3.33Å; Q249-I252 PolarHBondContact O-N 3.47Å; Q249-R253 VanDerWaalsContact CB-NH1 3.31Å; Q249-R253 VanDerWaalsContact O-CB 3.32Å; Q249-R253 WeakPolarHBondContact O-CB 3.48Å; Q249-R253 VanDerWaalsContact O-CG 3.27Å; Q249-R253 WeakPolarHBondContact O-CG 3.4Å; Q249-R253 PolarHBondContact O-N 3.1Å; Q249-R253 VanDerWaalsContact OE1-CZ 3.3Å
250N90.4Very high86.1Confident100 Ų10061.5 Ų61.554%0.53530%0.302SS..Hα-helixtrans-64.1-39.9178.5-71.8-12.1000111.3K246 I247 A248 Y254K246-N250 PolarHBondContact O-N 2.9Å; K246-N250 VanDerWaalsContact O-N 3.09Å; K246-N250 PolarHBondContact O-ND2 3.44Å; K246-N250 PolarHBondContact O-OD1 2.77Å; I247-N250 PolarHBondContact O-N 3.46Å; A248-N250 VanDerWaalsContact C-N 3.31Å; A248-N250 PolarHBondContact O-N 2.97Å; N250-Y254 WeakPolarHBondContact O-CB 3.21Å; N250-Y254 PolarHBondContact O-N 3.5Å
251I88.8Confident84.7Confident47 Ų4762.2 Ų62.224%0.24130%0.3CS..Hα-helixtrans-59.5-50.4175.2-67166.7000110.5P216 L224 I247 A248 Q249 Y254 F255P216-I251 HydrophobicContact CB-CD1 4.03Å; L224-I251 HydrophobicContact CD1-CG2 4.11Å; I247-I251 HydrophobicContact CG2-CD1 4.23Å; I247-I251 WeakPolarHBondContact O-CG1 3.49Å; I247-I251 PolarHBondContact O-N 3.41Å; A248-I251 PolarHBondContact O-N 2.82Å; Q249-I251 VanDerWaalsContact C-N 3.33Å; I251-Y254 PolarHBondContact O-N 3.27Å; I251-F255 WeakPolarHBondContact O-CB 3.37Å; I251-F255 PolarHBondContact O-N 3.42Å
252I89.3Confident82.9Confident0 Ų064.9 Ų64.90%033%0.33CS..Hα-helixtrans-67.5-44.9-177.8-57.3161.9000111W197 L232 L236 I242 A248 Q249 Y254 F255 L256W197-I252 HydrophobicContact CH2-CD1 3.82Å; L232-I252 HydrophobicContact CB-CG2 4.21Å; L232-I252 HydrophobicContact CD2-CG2 4.25Å; L236-I252 HydrophobicContact CD1-CB 4.3Å; L236-I252 HydrophobicContact CD1-CG2 3.66Å; L236-I252 HydrophobicContact CD2-CB 4.09Å; L236-I252 HydrophobicContact CD2-CD1 4.2Å; L236-I252 HydrophobicContact CD2-CG2 4.22Å; L236-I252 HydrophobicContact CG-CB 4.25Å; L236-I252 HydrophobicContact CG-CD1 4.46Å; L236-I252 HydrophobicContact CG-CG2 3.81Å; I242-I252 HydrophobicContact CD1-CD1 4.2Å; I242-I252 HydrophobicContact CG2-CD1 3.78Å; A248-I252 WeakPolarHBondContact O-CG1 3.31Å; A248-I252 PolarHBondContact O-N 2.96Å; A248-I252 VanDerWaalsContact O-N 3.1Å; Q249-I252 PolarHBondContact O-N 3.47Å; I252-Y254 VanDerWaalsContact C-N 3.35Å; I252-Y254 PolarHBondContact O-N 3.4Å; I252-F255 PolarHBondContact O-N 3.24Å; I252-L256 HydrophobicContact CG2-CD1 4.06Å; I252-L256 HydrophobicContact CG2-CG 4.33Å; I252-L256 WeakPolarHBondContact O-CB 3.47Å; I252-L256 WeakPolarHBondContact O-CG 3.44Å; I252-L256 PolarHBondContact O-N 3.05Å
253R89.6Confident81.1Confident119 Ų11970.3 Ų70.345%0.44936%0.359SS..Hα-helixtrans-62.7-41.4178.1-73.4-177.2-171.5116.68.8112L236 Q249 L256 H257L236-R253 HydrophobicContact CD1-CG 4.04Å; L236-R253 HydrophobicContact CD2-CG 4.29Å; Q249-R253 VanDerWaalsContact CB-NH1 3.31Å; Q249-R253 VanDerWaalsContact O-CB 3.32Å; Q249-R253 WeakPolarHBondContact O-CB 3.48Å; Q249-R253 VanDerWaalsContact O-CG 3.27Å; Q249-R253 WeakPolarHBondContact O-CG 3.4Å; Q249-R253 PolarHBondContact O-N 3.1Å; Q249-R253 VanDerWaalsContact OE1-CZ 3.3Å; R253-L256 PolarHBondContact O-N 2.9Å; R253-H257 WeakPolarHBondContact O-CB 3.28Å; R253-H257 PolarHBondContact O-N 3.39Å
254Y85.9Confident79.1Confident73 Ų7374.2 Ų74.229%0.28638%0.381SS..Hα-helixtrans-63.2-44.1175.8178-99.8000111.2N250 I251 I252 H257 N258 S267 V270N250-Y254 WeakPolarHBondContact O-CB 3.21Å; N250-Y254 PolarHBondContact O-N 3.5Å; I251-Y254 PolarHBondContact O-N 3.27Å; I252-Y254 VanDerWaalsContact C-N 3.35Å; I252-Y254 PolarHBondContact O-N 3.4Å; Y254-H257 PolarHBondContact O-N 3.18Å; Y254-N258 VanDerWaalsContact CE1-ND2 3.33Å; Y254-N258 WeakPolarHBondContact CE1-ND2 3.1Å; Y254-N258 VanDerWaalsContact CE2-ND2 3.28Å; Y254-N258 WeakPolarHBondContact CE2-ND2 3.41Å; Y254-N258 PolarHBondContact O-N 3.2Å; Y254-N258 PolarHBondContact OH-ND2 3.36Å; Y254-S267 PolarHBondContact OH-O 3.23Å; Y254-S267 PolarHBondContact OH-OG 2.96Å; Y254-V270 HydrophobicContact CE1-CG2 3.9Å
255F85.6Confident77.3Confident17 Ų1773.6 Ų73.68%0.07538%0.381CS..Hα-helixtrans-60.5-49.3174.6173.9-96.9000112.1L224 K225 L232 I251 I252 H257 N258 A259L224-F255 HydrophobicContact CB-CD1 3.86Å; L224-F255 HydrophobicContact CB-CD2 3.99Å; L224-F255 HydrophobicContact CB-CE1 3.97Å; L224-F255 HydrophobicContact CB-CE2 4.1Å; L224-F255 HydrophobicContact CB-CG 3.92Å; L224-F255 HydrophobicContact CB-CZ 4.14Å; L224-F255 HydrophobicContact CD1-CB 4.12Å; L224-F255 HydrophobicContact CD1-CD1 4.48Å; L224-F255 HydrophobicContact CD1-CG 4.1Å; L224-F255 WeakPolarHBondContact O-CE1 3.02Å; L224-F255 WeakPolarHBondContact O-CZ 3.44Å; K225-F255 VanDerWaalsContact CA-CZ 3.46Å; K225-F255 HydrophobicContact CB-CE2 4.19Å; K225-F255 HydrophobicContact CB-CZ 4.2Å; L232-F255 HydrophobicContact CD1-CD1 3.86Å; L232-F255 HydrophobicContact CD1-CE1 3.73Å; I251-F255 WeakPolarHBondContact O-CB 3.37Å; I251-F255 PolarHBondContact O-N 3.42Å; I252-F255 PolarHBondContact O-N 3.24Å; F255-H257 VanDerWaalsContact C-N 3.31Å; F255-H257 PolarHBondContact O-N 3.43Å; F255-N258 PolarHBondContact O-N 3.09Å; F255-A259 HydrophobicContact CD2-CB 4.46Å; F255-A259 HydrophobicContact CE1-CB 4.16Å; F255-A259 HydrophobicContact CE2-CB 3.89Å; F255-A259 HydrophobicContact CZ-CB 3.66Å; F255-A259 WeakPolarHBondContact O-CB 3.42Å; F255-A259 PolarHBondContact O-N 3.08Å
256L85.4Confident75.1Confident23 Ų2378.2 Ų78.212%0.1241%0.411CS..Hα-helixtrans-61.1-38.1178.1-72.8175.4000112.4K229 L232 E233 L236 I252 R253 Y260K229-L256 HydrophobicContact CG-CD2 4.11Å; L232-L256 HydrophobicContact CB-CD1 4.37Å; L232-L256 HydrophobicContact CB-CD2 4.06Å; L232-L256 HydrophobicContact CD1-CD2 3.95Å; E233-L256 HydrophobicContact CG-CD1 4.11Å; L236-L256 HydrophobicContact CD1-CD1 3.66Å; I252-L256 HydrophobicContact CG2-CD1 4.06Å; I252-L256 HydrophobicContact CG2-CG 4.33Å; I252-L256 WeakPolarHBondContact O-CB 3.47Å; I252-L256 WeakPolarHBondContact O-CG 3.44Å; I252-L256 PolarHBondContact O-N 3.05Å; R253-L256 PolarHBondContact O-N 2.9Å; L256-Y260 HydrophobicContact CD2-CD2 4.17Å; L256-Y260 HydrophobicContact CD2-CE2 3.88Å; L256-Y260 WeakPolarHBondContact O-CD2 3.42Å
257H81.1Confident73.1Confident99 Ų9973 Ų7346%0.45840%0.396SS..Hα-helixtrans-64.9-49.1176.4-175.7-87.7000111.2R253 Y254 F255 N261R253-H257 WeakPolarHBondContact O-CB 3.28Å; R253-H257 PolarHBondContact O-N 3.39Å; Y254-H257 PolarHBondContact O-N 3.18Å; F255-H257 VanDerWaalsContact C-N 3.31Å; F255-H257 PolarHBondContact O-N 3.43Å; H257-N261 PolarHBondContact CD2-ND2 3.25Å; H257-N261 VanDerWaalsContact CD2-ND2 3.25Å; H257-N261 PolarHBondContact NE2-ND2 2.89Å; H257-N261 WeakPolarHBondContact O-CB 3.33Å; H257-N261 PolarHBondContact O-N 3.36Å; H257-N261 VanDerWaalsContact O-N 3.09Å; H257-N261 PolarHBondContact O-ND2 3.15Å
258N75.5Confident70.9Confident32 Ų3275.8 Ų75.817%0.17141%0.408CS..Hα-helixtrans-78.1-37.4-173.5-67.7-2.2000113.3Y254 F255 Y260Y254-N258 VanDerWaalsContact CE1-ND2 3.33Å; Y254-N258 WeakPolarHBondContact CE1-ND2 3.1Å; Y254-N258 VanDerWaalsContact CE2-ND2 3.28Å; Y254-N258 WeakPolarHBondContact CE2-ND2 3.41Å; Y254-N258 PolarHBondContact O-N 3.2Å; Y254-N258 PolarHBondContact OH-ND2 3.36Å; F255-N258 PolarHBondContact O-N 3.09Å; N258-Y260 VanDerWaalsContact C-N 3.32Å; N258-Y260 PolarHBondContact O-N 3.3Å
259A69.3Low69Low53 Ų5384.3 Ų84.344%0.43844%0.442SS..Hα-helixtrans-69.9-28.5-17800000113.1F255F255-A259 HydrophobicContact CD2-CB 4.46Å; F255-A259 HydrophobicContact CE1-CB 4.16Å; F255-A259 HydrophobicContact CE2-CB 3.89Å; F255-A259 HydrophobicContact CZ-CB 3.66Å; F255-A259 WeakPolarHBondContact O-CB 3.42Å; F255-A259 PolarHBondContact O-N 3.08Å
260Y62.1Low67.2Low104 Ų10485.5 Ų85.541%0.40845%0.451SS..Hα-helixtrans-112-15.2-173.9-64.6-76.1000114.8K229 L256 N258K229-Y260 HydrophobicContact CB-CE1 4.33Å; K229-Y260 HydrophobicContact CB-CE2 4.08Å; K229-Y260 WeakPolarHBondContact CB-OH 3.42Å; K229-Y260 HydrophobicContact CD-CD1 4.08Å; K229-Y260 HydrophobicContact CD-CD2 4.05Å; K229-Y260 HydrophobicContact CD-CE1 3.94Å; K229-Y260 HydrophobicContact CD-CE2 3.92Å; K229-Y260 HydrophobicContact CD-CG 4.14Å; K229-Y260 HydrophobicContact CG-CD2 4.3Å; K229-Y260 HydrophobicContact CG-CE1 4.43Å; K229-Y260 HydrophobicContact CG-CE2 3.79Å; L256-Y260 HydrophobicContact CD2-CD2 4.17Å; L256-Y260 HydrophobicContact CD2-CE2 3.88Å; L256-Y260 WeakPolarHBondContact O-CD2 3.42Å; N258-Y260 VanDerWaalsContact C-N 3.32Å; N258-Y260 PolarHBondContact O-N 3.3Å
261N61.1Low65.6Low103 Ų10382.1 Ų82.155%0.55143%0.433SS*.Hα-helixtrans-100.64.5179.5-61.6-27.1000115H257 D263H257-N261 PolarHBondContact CD2-ND2 3.25Å; H257-N261 VanDerWaalsContact CD2-ND2 3.25Å; H257-N261 PolarHBondContact NE2-ND2 2.89Å; H257-N261 WeakPolarHBondContact O-CB 3.33Å; H257-N261 PolarHBondContact O-N 3.36Å; H257-N261 VanDerWaalsContact O-N 3.09Å; H257-N261 PolarHBondContact O-ND2 3.15Å; N261-D263 VanDerWaalsContact C-N 3.32Å; N261-D263 PolarHBondContact O-N 3.22Å
262G54.1Low64.4Low63 Ų6385.9 Ų85.965%0.64945%0.453SS*.  trans70.317.5164.700000116.5D264G262-D264 PolarHBondContact O-N 2.91Å
263D51.2Low63.7Low114 Ų11488.6 Ų88.661%0.6147%0.467SS*.  trans-84.4104.1170-94.9-22.9000109.8N261 N265N261-D263 VanDerWaalsContact C-N 3.32Å; N261-D263 PolarHBondContact O-N 3.22Å; D263-N265 PolarHBondContact O-N 3.48Å
264D49.6Very low63.1Low167 Ų16786.6 Ų86.689%0.89347%0.47SS*.  trans-6959.7171.5-80.2-31.9000111.6G262G262-D264 PolarHBondContact O-N 2.91Å
265N51.5Low62.6Low120 Ų12083.7 Ų83.764%0.64246%0.461SS*.  trans-110.7104172.4-132.3-8.2000109.9D263 S267D263-N265 PolarHBondContact O-N 3.48Å; N265-S267 PolarHBondContact O-N 3.06Å
266P44.8Very low62.3Low112 Ų11282.9 Ų82.973%0.72746%0.458SS*.  trans-79.570.1179.832.5-32.2000109.9
267S46.7Very low61.6Low57 Ų5786.6 Ų86.640%0.39948%0.477SS..  trans-90.4106.9171.443.20000111.2Y254 N265 Y269Y254-S267 PolarHBondContact OH-O 3.23Å; Y254-S267 PolarHBondContact OH-OG 2.96Å; N265-S267 PolarHBondContact O-N 3.06Å; S267-Y269 PolarHBondContact O-N 3.4Å
268M46.5Very low60.8Low165 Ų16582.9 Ų82.981%0.81346%0.463SS*.SBendtrans36.5-6.6153.1-111.8179.994.300123.5
269Y50Low60.3Low178 Ų17882.9 Ų82.970%0.69846%0.464SS*.  trans-143.214.7-178-66.5-76.9000113.5S267 N271S267-Y269 PolarHBondContact O-N 3.4Å; Y269-N271 PolarHBondContact O-N 3.15Å
270V52.6Low60Low50 Ų5083.9 Ų83.930%0.30346%0.462SS..  trans-82.4109.3173.3-173.20000107.2Y254 N272Y254-V270 HydrophobicContact CE1-CG2 3.9Å; V270-N272 PolarHBondContact O-N 2.86Å
271N56.4Low60.2Low29 Ų2984.3 Ų84.316%0.15547%0.466CS..  trans-57.880.2172.2-85.32.5000110.2L219 S220 I222 Y269 L273L219-N271 PolarHBondContact O-ND2 3.1Å; S220-N271 PolarHBondContact O-ND2 3.49Å; S220-N271 PolarHBondContact O-OD1 3.11Å; I222-N271 PolarHBondContact O-ND2 3.41Å; Y269-N271 PolarHBondContact O-N 3.15Å; N271-L273 PolarHBondContact O-N 3.05Å; N271-L273 VanDerWaalsContact O-N 3.12Å
272N64.9Low60.9Low126 Ų12682.2 Ų82.267%0.67445%0.453SS*.  trans-81.736.7170.2-81.7-12.7000110.8V270V270-N272 PolarHBondContact O-N 2.86Å
273L74.4Confident62.4Low56 Ų5681.5 Ų81.529%0.29344%0.436SS..PPolyproline II helixtrans-70.1129.8173.6-67.3172.4000108.2R223 N271R223-L273 HydrophobicContact CG-CB 3.78Å; R223-L273 HydrophobicContact CG-CD1 4.38Å; N271-L273 PolarHBondContact O-N 3.05Å; N271-L273 VanDerWaalsContact O-N 3.12Å
274P76.4Confident64.2Low78 Ų7876.5 Ų76.551%0.50641%0.41SS..PPolyproline II helixtrans-62.6152.9176.529.2-35.1000109.7R223R223-P274 WeakPolarHBondContact CD-O 3.48Å; R223-P274 PolarHBondContact NE-O 3.46Å
275A75.2Confident66.3Low12 Ų1268.6 Ų68.610%0.09937%0.368CS..PPolyproline II helixtrans-51.9143.3172.600000110.9Y226 L277 L280Y226-A275 HydrophobicContact CD1-CB 4.28Å; Y226-A275 HydrophobicContact CD2-CB 4.36Å; Y226-A275 HydrophobicContact CE1-CB 3.7Å; Y226-A275 VanDerWaalsContact CE2-CA 3.45Å; Y226-A275 HydrophobicContact CE2-CB 3.81Å; Y226-A275 VanDerWaalsContact CZ-CB 3.43Å; Y226-A275 PolarHBondContact OH-N 3.5Å; Y226-A275 VanDerWaalsContact OH-N 3.11Å; A275-L277 PolarHBondContact O-N 3.36Å; A275-L280 HydrophobicContact CB-CD2 3.44Å; A275-L280 VanDerWaalsContact CB-CD2 3.44Å; A275-L280 HydrophobicContact CB-CG 3.79Å
276R79.5Confident68.4Low0 Ų062.9 Ų62.90%034%0.337CS..PPolyproline II helixtrans-60.7140.8165.1-64.6-166.3-152.8-95.1-1.1108.3I183 S185 D186 L188 E193 A278 T279 L280I183-R276 VanDerWaalsContact O-CZ 3.25Å; I183-R276 PolarHBondContact O-NH1 3.25Å; I183-R276 PolarHBondContact O-NH2 3.14Å; S185-R276 PolarHBondContact O-NH1 3.35Å; D186-R276 WeakPolarHBondContact O-CB 3.47Å; L188-R276 WeakPolarHBondContact O-CD 3.36Å; E193-R276 WeakPolarHBondContact OE1-CD 3.4Å; E193-R276 WeakPolarHBondContact OE1-CG 3.28Å; E193-R276 IonicContact OE1-CZ 3.4Å; E193-R276 IonicContact OE1-NE 3.74Å; E193-R276 PolarHBondContact OE1-NE 3.35Å; E193-R276 IonicContact OE1-NH2 3.76Å; E193-R276 IonicContact OE2-NH2 3.41Å; R276-A278 PolarHBondContact O-N 3.38Å; R276-T279 HydrophobicContact CB-CG2 4.02Å; R276-T279 PolarHBondContact N-OG1 2.96Å; R276-T279 WeakPolarHBondContact O-CA 3.29Å; R276-T279 PolarHBondContact O-N 2.89Å; R276-T279 PolarHBondContact O-OG1 2.87Å; R276-L280 PolarHBondContact O-N 3.39Å
277L70.7Confident70.8Confident101 Ų10157.7 Ų57.753%0.52930%0.304SS..G310 helixtrans-54.8-40.5177.2-68.3174.4000110.5A275 T279 L280 H282A275-L277 PolarHBondContact O-N 3.36Å; L277-T279 PolarHBondContact O-N 3.22Å; L277-L280 HydrophobicContact CD2-CD1 4.07Å; L277-L280 WeakPolarHBondContact O-CB 3.5Å; L277-L280 PolarHBondContact O-N 2.9Å; L277-L280 VanDerWaalsContact O-N 3.15Å; L277-H282 PolarHBondContact O-NE2 3.1Å
278A64.3Low73.1Confident20 Ų2055 Ų5517%0.16529%0.285CS..G310 helixtrans-61.2-26.6176.800000114.7L188 R276L188-A278 WeakPolarHBondContact O-CB 3.38Å; R276-A278 PolarHBondContact O-N 3.38Å
279T64.7Low75.4Confident32 Ų3247.1 Ų47.120%0.19625%0.246CC..G310 helixtrans-90.8-11.2179.363.20000113.5V190 E193 R276 L277V190-T279 HydrophobicContact CG2-CG2 3.89Å; E193-T279 HydrophobicContact CG-CG2 4.4Å; R276-T279 HydrophobicContact CB-CG2 4.02Å; R276-T279 PolarHBondContact N-OG1 2.96Å; R276-T279 WeakPolarHBondContact O-CA 3.29Å; R276-T279 PolarHBondContact O-N 2.89Å; R276-T279 PolarHBondContact O-OG1 2.87Å; L277-T279 PolarHBondContact O-N 3.22Å
280L62.7Low77.4Confident75 Ų7538.6 Ų38.639%0.39321%0.213SC..SBendtrans-73.4139.1171.2-68.5176.2000108.8A275 R276 L277 H282A275-L280 HydrophobicContact CB-CD2 3.44Å; A275-L280 VanDerWaalsContact CB-CD2 3.44Å; A275-L280 HydrophobicContact CB-CG 3.79Å; R276-L280 PolarHBondContact O-N 3.39Å; L277-L280 HydrophobicContact CD2-CD1 4.07Å; L277-L280 WeakPolarHBondContact O-CB 3.5Å; L277-L280 PolarHBondContact O-N 2.9Å; L277-L280 VanDerWaalsContact O-N 3.15Å; L280-H282 PolarHBondContact O-CD2 2.99Å; L280-H282 PolarHBondContact O-N 3.33Å; L280-H282 PolarHBondContact O-NE2 3.06Å
281K67.6Low79.1Confident113 Ų11338.4 Ų38.449%0.49121%0.21SC..PPolyproline II helixtrans-67.1120.2174.4-64.2178.4175.5172.60109.2N705 M706K281-N705 HydrophobicContact CB-CB 3.83Å; K281-N705 HydrophobicContact CD-CB 4.42Å; K281-M706 CarbonylContact C-O 3.54Å; K281-M706 VanDerWaalsContact CA-O 3.27Å; K281-M706 WeakPolarHBondContact CA-O 3.22Å
282H74.6Confident80.3Confident58 Ų5838.9 Ų38.927%0.26921%0.212SC..PPolyproline II helixtrans-102.4143.5177-67.7-71.4000110.3L277 L280 T284 N705 M706L277-H282 PolarHBondContact O-NE2 3.1Å; L280-H282 PolarHBondContact O-CD2 2.99Å; L280-H282 PolarHBondContact O-N 3.33Å; L280-H282 PolarHBondContact O-NE2 3.06Å; H282-T284 PolarHBondContact O-N 3.32Å; H282-T284 PolarHBondContact O-OG1 3.4Å; H282-N705 WeakPolarHBondContact O-CA 3.27Å; H282-M706 PolarHBondContact N-O 3.09Å; H282-M706 PolarHBondContact O-N 2.96Å; H282-M706 VanDerWaalsContact O-N 3.07Å
283P86Confident81.1Confident48 Ų4839.9 Ų39.931%0.31222%0.223SC..EExtended strand (participates in β ladder)trans-51.1113.6163.7-24.234.6000108.8V647P283-V647 HydrophobicContact CB-CG1 3.78Å; P283-V647 WeakPolarHBondContact O-CG1 3.45Å
284T89.6Confident81.6Confident10 Ų1040.5 Ų40.56%0.06123%0.231CC..EExtended strand (participates in β ladder)trans-129.9129.4-172.7-58.40000108.1H282 F302 C703 L704 M706H282-T284 PolarHBondContact O-N 3.32Å; H282-T284 PolarHBondContact O-OG1 3.4Å; T284-F302 WeakPolarHBondContact CG2-O 3.35Å; T284-C703 WeakPolarHBondContact O-CA 3.37Å; T284-L704 WeakPolarHBondContact CA-O 3.49Å; T284-L704 WeakPolarHBondContact CB-O 3.21Å; T284-L704 PolarHBondContact N-O 3.33Å; T284-L704 PolarHBondContact O-N 2.92Å; T284-L704 VanDerWaalsContact O-O 3.13Å; T284-M706 HydrophobicContact CG2-CE 3.24Å
285L93.6Very high82.2Confident0 Ų039.9 Ų39.90%022%0.223CC..EExtended strand (participates in β ladder)trans-74133.5179-164.747.7000109.2S301 F302 V647 Y652 I654L285-S301 CarbonylContact O-C 3.6Å; L285-S301 VanDerWaalsContact O-CA 3.22Å; L285-S301 WeakPolarHBondContact O-CA 3.34Å; L285-F302 HydrophobicContact CB-CB 4.24Å; L285-F302 HydrophobicContact CB-CD1 4.47Å; L285-F302 WeakPolarHBondContact CB-O 3.48Å; L285-F302 HydrophobicContact CD2-CD1 4.37Å; L285-F302 PolarHBondContact N-O 2.76Å; L285-F302 PolarHBondContact O-N 2.95Å; L285-V647 HydrophobicContact CB-CG2 3.9Å; L285-V647 HydrophobicContact CD1-CG2 3.85Å; L285-V647 HydrophobicContact CD2-CG2 4.31Å; L285-V647 HydrophobicContact CG-CG2 4.25Å; L285-Y652 HydrophobicContact CD2-CD1 4.1Å; L285-Y652 HydrophobicContact CD2-CG 3.91Å; L285-I654 HydrophobicContact CD1-CD1 4.23Å; L285-I654 HydrophobicContact CD2-CD1 3.18Å; L285-I654 HydrophobicContact CD2-CG1 4.05Å; L285-I654 HydrophobicContact CG-CD1 3.61Å
286V94.8Very high83.1Confident0 Ų040.1 Ų40.10%022%0.223CC..EExtended strand (participates in β ladder)trans-126125.7-179.6-176.60000109.4L288 M299 Q300 L332 C701 V702 L704 M706V286-L288 HydrophobicContact CG1-CD2 4.49Å; V286-M299 HydrophobicContact CG1-CG 3.62Å; V286-M299 HydrophobicContact CG1-SD 3.66Å; V286-Q300 WeakPolarHBondContact CA-O 3.4Å; V286-L332 HydrophobicContact CG1-CD1 4.05Å; V286-C701 WeakPolarHBondContact O-CA 3.14Å; V286-V702 HydrophobicContact CB-CG2 4.2Å; V286-V702 PolarHBondContact N-O 3.14Å; V286-V702 PolarHBondContact O-N 3.43Å; V286-L704 HydrophobicContact CG2-CB 4.02Å; V286-L704 HydrophobicContact CG2-CD1 3.96Å; V286-L704 HydrophobicContact CG2-CG 4.04Å; V286-M706 HydrophobicContact CG2-CE 3.34Å; V286-M706 HydrophobicContact CG2-SD 4.1Å
287V95.2Very high83.7Confident3 Ų343 Ų432%0.01824%0.238CC..EExtended strand (participates in β ladder)trans-114.9135.6173.3-55.70000109.7M299 Q300 W309 I654 F699 G700V287-M299 CarbonylContact O-C 3.58Å; V287-M299 VanDerWaalsContact O-CA 3.29Å; V287-M299 WeakPolarHBondContact O-CA 3.26Å; V287-Q300 HydrophobicContact CG2-CB 3.95Å; V287-Q300 PolarHBondContact N-O 2.91Å; V287-Q300 PolarHBondContact O-N 3.12Å; V287-W309 HydrophobicContact CB-CH2 4.44Å; V287-W309 HydrophobicContact CB-CZ3 4.22Å; V287-W309 HydrophobicContact CG1-CH2 3.65Å; V287-W309 HydrophobicContact CG1-CZ3 3.84Å; V287-W309 HydrophobicContact CG2-CE3 4.19Å; V287-W309 HydrophobicContact CG2-CH2 3.94Å; V287-W309 HydrophobicContact CG2-CZ3 3.43Å; V287-W309 VanDerWaalsContact CG2-CZ3 3.43Å; V287-I654 HydrophobicContact CG1-CD1 3.8Å; V287-F699 HydrophobicContact CB-CD2 3.8Å; V287-F699 HydrophobicContact CB-CE2 3.93Å; V287-F699 HydrophobicContact CG1-CD2 4Å; V287-F699 HydrophobicContact CG1-CE2 3.61Å; V287-G700 VanDerWaalsContact CA-O 3.28Å; V287-G700 WeakPolarHBondContact CA-O 3.35Å
288L96Very high84.9Confident0 Ų039.4 Ų39.40%022%0.221CC..EExtended strand (participates in β ladder)trans-143140.8-177.663.5159.6000112.8V286 C298 M299 M315 F323 V325 L332 V334 W357 F699 G700V286-L288 HydrophobicContact CG1-CD2 4.49Å; L288-C298 WeakPolarHBondContact CA-O 3.33Å; L288-M299 HydrophobicContact CB-CB 4.07Å; L288-M299 HydrophobicContact CB-CG 3.96Å; L288-M299 HydrophobicContact CB-SD 4.34Å; L288-M315 HydrophobicContact CD1-CG 4.32Å; L288-M315 HydrophobicContact CD1-SD 3.95Å; L288-F323 HydrophobicContact CD1-CE2 4.38Å; L288-F323 HydrophobicContact CG-CE2 4.37Å; L288-V325 HydrophobicContact CD1-CG2 4.23Å; L288-V325 HydrophobicContact CD2-CG1 4.25Å; L288-V325 HydrophobicContact CD2-CG2 4.2Å; L288-V325 HydrophobicContact CG-CG2 4.38Å; L288-L332 HydrophobicContact CD1-CD1 4.31Å; L288-L332 HydrophobicContact CD1-CD2 3.7Å; L288-L332 HydrophobicContact CD2-CD1 3.85Å; L288-V334 HydrophobicContact CD1-CG2 3.39Å; L288-W357 HydrophobicContact CD1-CH2 3.99Å; L288-F699 WeakPolarHBondContact O-CB 3.46Å; L288-G700 WeakPolarHBondContact CD2-O 3.46Å; L288-G700 PolarHBondContact N-O 2.92Å; L288-G700 PolarHBondContact O-N 2.77Å
289G94.5Very high86.3Confident0 Ų038.4 Ų38.40%021%0.213CC..EExtended strand (participates in β ladder)trans62.7-148.7-177.600000112.4L296 C298 R696 F699G289-L296 VanDerWaalsContact CA-O 3.24Å; G289-L296 WeakPolarHBondContact CA-O 3.4Å; G289-C298 PolarHBondContact N-O 2.8Å; G289-R696 PolarHBondContact O-NH1 3.3Å; G289-F699 WeakPolarHBondContact O-CB 3.44Å
290G91.4Very high87.7Confident0 Ų037.6 Ų37.60%021%0.207CC..EExtended strand (participates in β ladder)trans111.3-178.5-17900000113.9L296 A697 I698G290-L296 PolarHBondContact O-N 2.93Å; G290-A697 CarbonylContact C-O 3.59Å; G290-A697 WeakPolarHBondContact CA-O 3.15Å; G290-I698 WeakPolarHBondContact CA-O 3.43Å
291L88.2Confident89Confident46 Ų4634.3 Ų34.324%0.24119%0.19CC..EExtended strand (participates in β ladder)trans-125.2131.5-179.3-175.369000109.4I295 F657 A697 I698L291-I295 HydrophobicContact CD1-CG1 3.75Å; L291-F657 HydrophobicContact CB-CZ 4.37Å; L291-F657 HydrophobicContact CD2-CZ 4.04Å; L291-F657 HydrophobicContact CG-CZ 4.33Å; L291-A697 PolarHBondContact N-O 2.94Å; L291-A697 PolarHBondContact O-N 3.33Å; L291-A697 VanDerWaalsContact O-N 3.13Å; L291-I698 HydrophobicContact CB-CD1 4.35Å; L291-I698 HydrophobicContact CD2-CD1 3.97Å
292N82.9Confident90.1Very high38 Ų3828.9 Ų28.920%0.20317%0.166CC..SBendtrans-130.3-126.5161.463.97.8000109.1C294 P670 V694 P695N292-C294 PolarHBondContact N-O 3.07Å; N292-C294 PolarHBondContact O-N 3.03Å; N292-C294 PolarHBondContact OD1-N 2.95Å; N292-C294 PolarHBondContact OD1-O 3.33Å; N292-C294 PolarHBondContact OD1-SG 2.91Å; N292-C294 VanDerWaalsContact OD1-SG 3.34Å; N292-P670 HydrophobicContact CB-CG 3.68Å; N292-V694 WeakPolarHBondContact ND2-CG1 3.27Å; N292-P695 WeakPolarHBondContact CB-O 3.29Å
293T80.9Confident90.5Very high147 Ų14726.5 Ų26.590%0.90216%0.156SC*.SBendtrans-65.5-17166.2550000112.7
294C84.8Confident90.1Very high69 Ų6926 Ų2647%0.46615%0.153SC..SBendtrans-139170172.665.70000112.1N292N292-C294 PolarHBondContact N-O 3.07Å; N292-C294 PolarHBondContact O-N 3.03Å; N292-C294 PolarHBondContact OD1-N 2.95Å; N292-C294 PolarHBondContact OD1-O 3.33Å; N292-C294 PolarHBondContact OD1-SG 2.91Å; N292-C294 VanDerWaalsContact OD1-SG 3.34Å
295I89.6Confident89.4Confident65 Ų6530.1 Ų30.133%0.33318%0.182SC..EExtended strand (participates in β ladder)trans-84119.8171.8-57169.3000108.4L291 S319 L320 A321L291-I295 HydrophobicContact CD1-CG1 3.75Å; I295-S319 VanDerWaalsContact CG2-C 3.44Å; I295-L320 WeakPolarHBondContact CG2-O 3.43Å; I295-A321 HydrophobicContact CD1-CB 4.48Å; I295-A321 HydrophobicContact CG2-CB 4.21Å
296L92.5Very high88.5Confident18 Ų1833.4 Ų33.49%0.09419%0.194CC..EExtended strand (participates in β ladder)trans-87.4150.5-174.5-57.6173.3000111.4G289 G290 V694 R696G289-L296 VanDerWaalsContact CA-O 3.24Å; G289-L296 WeakPolarHBondContact CA-O 3.4Å; G290-L296 PolarHBondContact O-N 2.93Å; L296-V694 HydrophobicContact CD1-CG1 3.7Å; L296-V694 HydrophobicContact CD2-CG1 4.33Å; L296-R696 HydrophobicContact CD1-CB 4.05Å
297N94.1Very high87.8Confident59 Ų5935.4 Ų35.432%0.31621%0.207SC..EExtended strand (participates in β ladder)trans-118.7-4.1166.671.3-24.2000113.4S314 M315 V317N297-S314 WeakPolarHBondContact O-CB 3.31Å; N297-M315 HydrophobicContact CB-CB 4.46Å; N297-M315 HydrophobicContact CB-CE 4.31Å; N297-M315 PolarHBondContact O-N 2.85Å; N297-V317 WeakPolarHBondContact CB-O 3.09Å
298C94.2Very high87.1Confident26 Ų2637.5 Ų37.518%0.17622%0.219CC..EExtended strand (participates in β ladder)trans-70.8147-176.4630000111.8L288 G289 R696L288-C298 WeakPolarHBondContact CA-O 3.33Å; G289-C298 PolarHBondContact N-O 2.8Å; C298-R696 PolarHBondContact O-NH1 2.83Å; C298-R696 PolarHBondContact SG-NH2 2.8Å
299M94.9Very high86.7Confident0 Ų037.8 Ų37.80%022%0.221CC..EExtended strand (participates in β ladder)trans-114.9134.8173.6-176.2166.473.800109V286 V287 L288 C312 L332 Y350 W357V286-M299 HydrophobicContact CG1-CG 3.62Å; V286-M299 HydrophobicContact CG1-SD 3.66Å; V287-M299 CarbonylContact O-C 3.58Å; V287-M299 VanDerWaalsContact O-CA 3.29Å; V287-M299 WeakPolarHBondContact O-CA 3.26Å; L288-M299 HydrophobicContact CB-CB 4.07Å; L288-M299 HydrophobicContact CB-CG 3.96Å; L288-M299 HydrophobicContact CB-SD 4.34Å; M299-C312 HydrophobicContact CB-CB 4.06Å; M299-C312 HydrophobicContact CE-CB 3.27Å; M299-C312 HydrophobicContact CG-CB 3.89Å; M299-C312 PolarHBondContact O-N 2.87Å; M299-C312 HydrophobicContact SD-CB 4.41Å; M299-L332 HydrophobicContact SD-CD1 4.48Å; M299-Y350 HydrophobicContact CE-CD1 3.59Å; M299-Y350 HydrophobicContact CE-CD2 3.81Å; M299-Y350 HydrophobicContact CE-CE1 3.39Å; M299-Y350 HydrophobicContact CE-CE2 3.63Å; M299-Y350 HydrophobicContact CE-CG 3.8Å; M299-Y350 VanDerWaalsContact CE-CZ 3.4Å; M299-Y350 HydrophobicContact SD-CD1 4.28Å; M299-Y350 HydrophobicContact SD-CE1 4.48Å; M299-W357 HydrophobicContact CE-CZ2 4.1Å; M299-W357 HydrophobicContact SD-CH2 4.47Å; M299-W357 HydrophobicContact SD-CZ2 3.82Å
300Q92.8Very high86.3Confident15 Ų1542.2 Ų42.27%0.0724%0.241CC..EExtended strand (participates in β ladder)trans-128.6148.5174.4-55-176.1-84.700109.3V286 V287 W309 Q310V286-Q300 WeakPolarHBondContact CA-O 3.4Å; V287-Q300 HydrophobicContact CG2-CB 3.95Å; V287-Q300 PolarHBondContact N-O 2.91Å; V287-Q300 PolarHBondContact O-N 3.12Å; Q300-W309 HydrophobicContact CB-CE3 3.57Å; Q300-W309 HydrophobicContact CB-CZ3 4.15Å; Q300-Q310 CarbonylContact C-O 3.59Å; Q300-Q310 VanDerWaalsContact CA-O 3.27Å; Q300-Q310 WeakPolarHBondContact CA-O 3.23Å
301S91.8Very high86.2Confident5 Ų547.6 Ų47.64%0.03527%0.274CS..EExtended strand (participates in β ladder)trans-118.3148.9176.561.30000111.3L285 W309 Q310 C312L285-S301 CarbonylContact O-C 3.6Å; L285-S301 VanDerWaalsContact O-CA 3.22Å; L285-S301 WeakPolarHBondContact O-CA 3.34Å; S301-W309 CarbonylContact O-C 3.45Å; S301-W309 VanDerWaalsContact O-CA 3.23Å; S301-W309 WeakPolarHBondContact O-CA 3.31Å; S301-Q310 PolarHBondContact N-O 2.88Å; S301-Q310 PolarHBondContact O-N 2.83Å; S301-Q310 PolarHBondContact OG-O 3.5Å; S301-C312 PolarHBondContact OG-SG 2.87Å
302F89.4Confident86.3Confident0 Ų046.1 Ų46.10%027%0.268CS..EExtended strand (participates in β ladder)trans-139.5115.4-179.6177.9-98.6000109.8T284 L285 P304 W309 V674 I687 V689T284-F302 WeakPolarHBondContact CG2-O 3.35Å; L285-F302 HydrophobicContact CB-CB 4.24Å; L285-F302 HydrophobicContact CB-CD1 4.47Å; L285-F302 WeakPolarHBondContact CB-O 3.48Å; L285-F302 HydrophobicContact CD2-CD1 4.37Å; L285-F302 PolarHBondContact N-O 2.76Å; L285-F302 PolarHBondContact O-N 2.95Å; F302-P304 HydrophobicContact CE1-CG 4.36Å; F302-W309 HydrophobicContact CB-CD2 3.62Å; F302-W309 HydrophobicContact CB-CE3 3.59Å; F302-W309 HydrophobicContact CB-CG 4.34Å; F302-W309 HydrophobicContact CB-CH2 3.64Å; F302-W309 HydrophobicContact CB-CZ2 3.65Å; F302-W309 HydrophobicContact CB-CZ3 3.57Å; F302-W309 AromaticContact CD2-CD1 3.57Å; F302-W309 HydrophobicContact CD2-CD2 4.05Å; F302-W309 AromaticContact CD2-CE2 3.67Å; F302-W309 HydrophobicContact CD2-CG 4.07Å; F302-W309 HydrophobicContact CD2-CZ2 4.27Å; F302-W309 AromaticContact CD2-NE1 3.31Å; F302-W309 VanDerWaalsContact CD2-NE1 3.31Å; F302-W309 AromaticContact CE2-NE1 3.92Å; F302-W309 HydrophobicContact CG-CD2 4.21Å; F302-W309 AromaticContact CG-CE2 3.77Å; F302-W309 HydrophobicContact CG-CH2 4.39Å; F302-W309 AromaticContact CG-CZ2 3.95Å; F302-W309 HydrophobicContact CG-CZ2 3.95Å; F302-W309 AromaticContact CG-NE1 3.9Å; F302-V674 HydrophobicContact CE1-CG1 4.45Å; F302-I687 HydrophobicContact CE1-CG2 4.22Å; F302-I687 HydrophobicContact CZ-CG2 3.58Å; F302-V689 HydrophobicContact CE2-CG1 4.33Å; F302-V689 HydrophobicContact CE2-CG2 4.24Å
303S83.3Confident86.7Confident8 Ų846.5 Ų46.56%0.05627%0.272CS..  trans-96.4124.8170.3-179.70000108.9S305 R306 T307S303-S305 PolarHBondContact O-N 2.89Å; S303-S305 VanDerWaalsContact O-N 3.13Å; S303-S305 PolarHBondContact OG-OG 2.91Å; S303-R306 PolarHBondContact O-N 2.78Å; S303-T307 PolarHBondContact O-N 2.86Å; S303-T307 VanDerWaalsContact O-N 3.11Å
304P78.4Confident87.4Confident38 Ų3842 Ų4225%0.24725%0.246CC..THydrogen-bonded Turntrans-54.9-30177.4-2836000114F302 V647 Y652F302-P304 HydrophobicContact CE1-CG 4.36Å; P304-V647 HydrophobicContact CG-CG1 3.87Å; P304-Y652 VanDerWaalsContact CB-OH 3.31Å; P304-Y652 WeakPolarHBondContact CB-OH 3.19Å; P304-Y652 HydrophobicContact CG-CE1 4.2Å; P304-Y652 HydrophobicContact CG-CE2 4.22Å; P304-Y652 WeakPolarHBondContact CG-OH 3.46Å
305S74.5Confident87.9Confident95 Ų9538.9 Ų38.966%0.66423%0.225SC*.THydrogen-bonded Turntrans-72.1-27.8177.658.40000113.3S303S303-S305 PolarHBondContact O-N 2.89Å; S303-S305 VanDerWaalsContact O-N 3.13Å; S303-S305 PolarHBondContact OG-OG 2.91Å
306R74.5Confident88.1Confident69 Ų6939.3 Ų39.326%0.2623%0.232SC..THydrogen-bonded Turntrans-92.6-26.6-177.3-62.7175.7179.2-86.41.6112.7D189 S303 V308D189-R306 IonicContact OD1-CZ 3.4Å; D189-R306 IonicContact OD1-NH1 2.85Å; D189-R306 PolarHBondContact OD1-NH1 2.92Å; D189-R306 IonicContact OD1-NH2 3.68Å; D189-R306 PolarHBondContact OD1-NH2 2.8Å; D189-R306 IonicContact OD2-CZ 3.68Å; D189-R306 IonicContact OD2-NH1 3.67Å; D189-R306 PolarHBondContact OD2-NH1 2.82Å; D189-R306 IonicContact OD2-NH2 2.63Å; S303-R306 PolarHBondContact O-N 2.78Å; R306-V308 WeakPolarHBondContact O-CG2 3.29Å; R306-V308 PolarHBondContact O-N 2.84Å
307T79.7Confident88.2Confident43 Ų4338.7 Ų38.726%0.26423%0.229SC..  trans55.818.2-176.167.10000115S303 V689 L690S303-T307 PolarHBondContact O-N 2.86Å; S303-T307 VanDerWaalsContact O-N 3.11Å; T307-V689 WeakPolarHBondContact O-CA 3.42Å; T307-L690 PolarHBondContact O-N 3.06Å; T307-L690 WeakPolarHBondContact OG1-CD1 3.35Å; T307-L690 WeakPolarHBondContact OG1-CG 3.38Å
308V80.4Confident88Confident46 Ų4639.9 Ų39.928%0.27924%0.236SC..  trans-125.5137.1-178.4174.30000108.7R306 L690 N691R306-V308 WeakPolarHBondContact O-CG2 3.29Å; R306-V308 PolarHBondContact O-N 2.84Å; V308-L690 HydrophobicContact CG2-CB 3.9Å; V308-L690 HydrophobicContact CG2-CD1 3.92Å; V308-L690 HydrophobicContact CG2-CG 4.36Å; V308-N691 WeakPolarHBondContact CG1-ND2 3.44Å
309W87.8Confident87.9Confident7 Ų741 Ų413%0.02724%0.244CC..EExtended strand (participates in β ladder)trans-81.8132169-71.475.9000111.3V287 Q300 S301 F302 I654 V674 N691 T693V287-W309 HydrophobicContact CB-CH2 4.44Å; V287-W309 HydrophobicContact CB-CZ3 4.22Å; V287-W309 HydrophobicContact CG1-CH2 3.65Å; V287-W309 HydrophobicContact CG1-CZ3 3.84Å; V287-W309 HydrophobicContact CG2-CE3 4.19Å; V287-W309 HydrophobicContact CG2-CH2 3.94Å; V287-W309 HydrophobicContact CG2-CZ3 3.43Å; V287-W309 VanDerWaalsContact CG2-CZ3 3.43Å; Q300-W309 HydrophobicContact CB-CE3 3.57Å; Q300-W309 HydrophobicContact CB-CZ3 4.15Å; S301-W309 CarbonylContact O-C 3.45Å; S301-W309 VanDerWaalsContact O-CA 3.23Å; S301-W309 WeakPolarHBondContact O-CA 3.31Å; F302-W309 HydrophobicContact CB-CD2 3.62Å; F302-W309 HydrophobicContact CB-CE3 3.59Å; F302-W309 HydrophobicContact CB-CG 4.34Å; F302-W309 HydrophobicContact CB-CH2 3.64Å; F302-W309 HydrophobicContact CB-CZ2 3.65Å; F302-W309 HydrophobicContact CB-CZ3 3.57Å; F302-W309 AromaticContact CD2-CD1 3.57Å; F302-W309 HydrophobicContact CD2-CD2 4.05Å; F302-W309 AromaticContact CD2-CE2 3.67Å; F302-W309 HydrophobicContact CD2-CG 4.07Å; F302-W309 HydrophobicContact CD2-CZ2 4.27Å; F302-W309 AromaticContact CD2-NE1 3.31Å; F302-W309 VanDerWaalsContact CD2-NE1 3.31Å; F302-W309 AromaticContact CE2-NE1 3.92Å; F302-W309 HydrophobicContact CG-CD2 4.21Å; F302-W309 AromaticContact CG-CE2 3.77Å; F302-W309 HydrophobicContact CG-CH2 4.39Å; F302-W309 AromaticContact CG-CZ2 3.95Å; F302-W309 HydrophobicContact CG-CZ2 3.95Å; F302-W309 AromaticContact CG-NE1 3.9Å; W309-I654 HydrophobicContact CH2-CD1 3.75Å; W309-I654 HydrophobicContact CZ2-CD1 4.15Å; W309-I654 HydrophobicContact CZ2-CG2 4.46Å; W309-V674 HydrophobicContact CZ2-CG2 3.76Å; W309-N691 PolarHBondContact N-OD1 2.83Å; W309-N691 PolarHBondContact O-ND2 2.86Å; W309-T693 HydrophobicContact CD2-CG2 3.59Å; W309-T693 HydrophobicContact CG-CG2 3.52Å; W309-T693 HydrophobicContact CZ2-CG2 3.92Å
310Q86.3Confident87.9Confident92 Ų9241 Ų4143%0.4324%0.244SC..EExtended strand (participates in β ladder)trans-110.1136.6175.5-63.3179.7-16.400110Q300 S301Q300-Q310 CarbonylContact C-O 3.59Å; Q300-Q310 VanDerWaalsContact CA-O 3.27Å; Q300-Q310 WeakPolarHBondContact CA-O 3.23Å; S301-Q310 PolarHBondContact N-O 2.88Å; S301-Q310 PolarHBondContact O-N 2.83Å; S301-Q310 PolarHBondContact OG-O 3.5Å
311T89.5Confident87.9Confident114 Ų11440.9 Ų40.970%0.69925%0.245SC*.EExtended strand (participates in β ladder)trans-75.1132.2175.6-57.80000109.9
312C89.9Confident88Confident15 Ų1543.1 Ų43.110%0.10125%0.253CS..EExtended strand (participates in β ladder)trans-110166.5173.6-54.60000110.1M299 S301 S314M299-C312 HydrophobicContact CB-CB 4.06Å; M299-C312 HydrophobicContact CE-CB 3.27Å; M299-C312 HydrophobicContact CG-CB 3.89Å; M299-C312 PolarHBondContact O-N 2.87Å; M299-C312 HydrophobicContact SD-CB 4.41Å; S301-C312 PolarHBondContact OG-SG 2.87Å; C312-S314 PolarHBondContact O-N 2.96Å
313P92.3Very high88.4Confident45 Ų4544.2 Ų44.229%0.29226%0.258SS..PPolyproline II helixtrans-53123.5173.6-26.935.5000111.7Y350 S355 W357P313-Y350 HydrophobicContact CB-CE2 4.32Å; P313-Y350 HydrophobicContact CG-CE2 4.09Å; P313-S355 WeakPolarHBondContact CG-O 3.45Å; P313-S355 WeakPolarHBondContact CG-OG 3.49Å; P313-W357 PolarHBondContact O-NE1 3.19Å
314S95.2Very high89.1Confident52 Ų5244.2 Ų44.236%0.36426%0.257SS..PPolyproline II helixtrans-62155.4178.4-60.90000112N297 C312 W357N297-S314 WeakPolarHBondContact O-CB 3.31Å; C312-S314 PolarHBondContact O-N 2.96Å; S314-W357 VanDerWaalsContact O-CD1 3.27Å; S314-W357 PolarHBondContact O-NE1 2.81Å; S314-W357 VanDerWaalsContact O-NE1 3.09Å
315M95.2Very high90Very high4 Ų443.4 Ų43.42%0.0225%0.252CS..PPolyproline II helixtrans-55.3142.9173.2-66.7-175.6-68.400110.5L288 N297 V317 F323 V334 W357L288-M315 HydrophobicContact CD1-CG 4.32Å; L288-M315 HydrophobicContact CD1-SD 3.95Å; N297-M315 HydrophobicContact CB-CB 4.46Å; N297-M315 HydrophobicContact CB-CE 4.31Å; N297-M315 PolarHBondContact O-N 2.85Å; M315-V317 HydrophobicContact CB-CG1 4.35Å; M315-V317 PolarHBondContact O-N 3.22Å; M315-F323 HydrophobicContact CE-CE1 4.19Å; M315-F323 HydrophobicContact CE-CZ 4.1Å; M315-F323 HydrophobicContact SD-CZ 4.19Å; M315-V334 HydrophobicContact SD-CG1 4.11Å; M315-V334 HydrophobicContact SD-CG2 3.95Å; M315-W357 HydrophobicContact CB-CZ2 4.48Å; M315-W357 HydrophobicContact CG-CH2 3.79Å; M315-W357 HydrophobicContact CG-CZ2 3.76Å
316P94.2Very high91Very high74 Ų7439.1 Ų39.148%0.48122%0.222SC..SBendtrans-711.2179.731.1-37.2000113.3Y348 W357P316-Y348 HydrophobicContact CB-CD1 4.43Å; P316-Y348 HydrophobicContact CB-CE1 4.31Å; P316-Y348 HydrophobicContact CG-CD1 3.28Å; P316-Y348 HydrophobicContact CG-CD2 4.3Å; P316-Y348 HydrophobicContact CG-CE1 3.54Å; P316-Y348 HydrophobicContact CG-CG 3.69Å; P316-W357 HydrophobicContact CG-CB 4.16Å; P316-W357 HydrophobicContact CG-CG 4.43Å
317V93Very high92Very high5 Ų537.4 Ų37.43%0.0322%0.219CC..SBendtrans-124.5130.2178.860.20000109.5N297 M315 L320 K339 Y348N297-V317 WeakPolarHBondContact CB-O 3.09Å; M315-V317 HydrophobicContact CB-CG1 4.35Å; M315-V317 PolarHBondContact O-N 3.22Å; V317-L320 HydrophobicContact CG1-CB 4.1Å; V317-L320 HydrophobicContact CG1-CD2 3.76Å; V317-L320 HydrophobicContact CG1-CG 4.45Å; V317-L320 HydrophobicContact CG2-CB 4.35Å; V317-K339 HydrophobicContact CG2-CD 3.73Å; V317-Y348 HydrophobicContact CB-CE2 3.94Å; V317-Y348 HydrophobicContact CG1-CD2 4.05Å; V317-Y348 HydrophobicContact CG1-CE2 3.66Å
318D91Very high92.5Very high85 Ų8535.6 Ų35.646%0.45521%0.207SC..SBendtrans-89.5156.6176.163.6-27.5000111.9L320 K339D318-L320 PolarHBondContact O-N 3.03Å; D318-L320 VanDerWaalsContact O-N 3.1Å; D318-K339 WeakPolarHBondContact OD1-CE 3.25Å; D318-K339 IonicContact OD1-NZ 3.39Å; D318-K339 PolarHBondContact OD1-NZ 3.02Å
319S91Very high92.6Very high49 Ų4936.7 Ų36.734%0.34322%0.222SC..SBendtrans52.634173.3-54.10000114.9I295I295-S319 VanDerWaalsContact CG2-C 3.44Å
320L95.5Very high92.6Very high1 Ų137.9 Ų37.91%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-92.8123.9176.5-170.774.5000110.2I295 V317 D318 F323 V334 I338 K339 M344I295-L320 WeakPolarHBondContact CG2-O 3.43Å; V317-L320 HydrophobicContact CG1-CB 4.1Å; V317-L320 HydrophobicContact CG1-CD2 3.76Å; V317-L320 HydrophobicContact CG1-CG 4.45Å; V317-L320 HydrophobicContact CG2-CB 4.35Å; D318-L320 PolarHBondContact O-N 3.03Å; D318-L320 VanDerWaalsContact O-N 3.1Å; L320-F323 HydrophobicContact CB-CD1 4.43Å; L320-F323 HydrophobicContact CD2-CB 3.98Å; L320-F323 HydrophobicContact CD2-CD1 3.79Å; L320-F323 HydrophobicContact CD2-CG 4.02Å; L320-F323 HydrophobicContact CG-CB 4.36Å; L320-F323 HydrophobicContact CG-CD1 3.81Å; L320-F323 HydrophobicContact CG-CG 4.42Å; L320-F323 WeakPolarHBondContact O-CE1 3.33Å; L320-V334 HydrophobicContact CD2-CG1 3.85Å; L320-I338 WeakPolarHBondContact CA-O 3.48Å; L320-K339 HydrophobicContact CD1-CB 4.19Å; L320-M344 HydrophobicContact CD1-CB 4.32Å; L320-M344 HydrophobicContact CD1-CG 3.78Å
321A93.4Very high92.9Very high11 Ų1135 Ų359%0.09122%0.217CC..EExtended strand (participates in β ladder)trans-126.5166.7174.800000111I295 F323 G337 I338I295-A321 HydrophobicContact CD1-CB 4.48Å; I295-A321 HydrophobicContact CG2-CB 4.21Å; A321-F323 PolarHBondContact O-N 3.1Å; A321-F323 VanDerWaalsContact O-N 3.09Å; A321-G337 CarbonylContact O-C 3.44Å; A321-G337 WeakPolarHBondContact O-CA 3.49Å; A321-I338 PolarHBondContact N-O 3.43Å; A321-I338 PolarHBondContact O-N 3.47Å
322W94.2Very high93.2Very high53 Ų5329.6 Ų29.620%0.20118%0.184CC..SBendtrans55.628.4174.3-58.1105000115.2G337 I338 A368 R369 E469 H641 I698W322-G337 WeakPolarHBondContact O-CA 3.37Å; W322-I338 HydrophobicContact CB-CD1 4.26Å; W322-I338 HydrophobicContact CB-CG1 4.46Å; W322-I338 HydrophobicContact CG-CD1 4.28Å; W322-A368 HydrophobicContact CB-CB 4.31Å; W322-R369 HydrophobicContact CB-CG 3.84Å; W322-R369 HydrophobicContact CD2-CG 3.86Å; W322-R369 HydrophobicContact CE3-CG 3.78Å; W322-R369 HydrophobicContact CG-CG 3.93Å; W322-R369 PolarHBondContact O-N 2.86Å; W322-E469 HydrophobicContact CZ3-CG 3.96Å; W322-H641 AromaticContact CH2-CE1 3.53Å; W322-H641 AromaticContact CH2-NE2 3.35Å; W322-H641 VanDerWaalsContact CH2-NE2 3.35Å; W322-H641 WeakPolarHBondContact CH2-NE2 3.48Å; W322-H641 AromaticContact CZ3-CE1 3.6Å; W322-H641 AromaticContact CZ3-NE2 3.92Å; W322-I698 HydrophobicContact CD2-CG2 3.78Å; W322-I698 HydrophobicContact CE3-CG2 3.78Å; W322-I698 HydrophobicContact CG-CG2 4.37Å; W322-I698 HydrophobicContact CH2-CD1 4.14Å; W322-I698 HydrophobicContact CH2-CG1 4.47Å; W322-I698 HydrophobicContact CH2-CG2 4.27Å; W322-I698 HydrophobicContact CZ2-CD1 3.72Å; W322-I698 HydrophobicContact CZ2-CG1 4.48Å; W322-I698 HydrophobicContact CZ2-CG2 4.23Å; W322-I698 HydrophobicContact CZ3-CG2 4.03Å
323F97.1Very high93.6Very high23 Ų2329.1 Ų29.110%0.10118%0.18CC..  trans-82.4165.1169.357.8-91.3000110.1L288 M315 L320 A321 V325 V334 G336L288-F323 HydrophobicContact CD1-CE2 4.38Å; L288-F323 HydrophobicContact CG-CE2 4.37Å; M315-F323 HydrophobicContact CE-CE1 4.19Å; M315-F323 HydrophobicContact CE-CZ 4.1Å; M315-F323 HydrophobicContact SD-CZ 4.19Å; L320-F323 HydrophobicContact CB-CD1 4.43Å; L320-F323 HydrophobicContact CD2-CB 3.98Å; L320-F323 HydrophobicContact CD2-CD1 3.79Å; L320-F323 HydrophobicContact CD2-CG 4.02Å; L320-F323 HydrophobicContact CG-CB 4.36Å; L320-F323 HydrophobicContact CG-CD1 3.81Å; L320-F323 HydrophobicContact CG-CG 4.42Å; L320-F323 WeakPolarHBondContact O-CE1 3.33Å; A321-F323 PolarHBondContact O-N 3.1Å; A321-F323 VanDerWaalsContact O-N 3.09Å; F323-V325 HydrophobicContact CD2-CG2 3.66Å; F323-V325 HydrophobicContact CE2-CG2 3.44Å; F323-V325 VanDerWaalsContact CE2-CG2 3.44Å; F323-V334 HydrophobicContact CB-CG1 4.15Å; F323-V334 HydrophobicContact CD2-CG1 3.69Å; F323-V334 HydrophobicContact CE2-CG1 4.25Å; F323-V334 HydrophobicContact CG-CG1 3.96Å; F323-G336 WeakPolarHBondContact CB-O 3.17Å
324S97.3Very high93.9Very high7 Ų727 Ų275%0.04917%0.167CC..EExtended strand (participates in β ladder)trans-105.6155.316968.60000111I335 H370 S372S324-I335 PolarHBondContact N-O 3.09Å; S324-I335 PolarHBondContact O-N 2.79Å; S324-H370 PolarHBondContact OG-CD2 2.76Å; S324-H370 PolarHBondContact OG-NE2 3.01Å; S324-S372 VanDerWaalsContact CB-OG 3.23Å; S324-S372 WeakPolarHBondContact CB-OG 3.5Å; S324-S372 VanDerWaalsContact OG-CB 3.28Å; S324-S372 WeakPolarHBondContact OG-CB 3.49Å; S324-S372 PolarHBondContact OG-OG 2.88Å
325V97.4Very high94.1Very high22 Ų2224.6 Ų24.613%0.13315%0.149CC..EExtended strand (participates in β ladder)trans-125.1136.3176.7-174.90000110L288 F323 L332 F333 V334 V702L288-V325 HydrophobicContact CD1-CG2 4.23Å; L288-V325 HydrophobicContact CD2-CG1 4.25Å; L288-V325 HydrophobicContact CD2-CG2 4.2Å; L288-V325 HydrophobicContact CG-CG2 4.38Å; F323-V325 HydrophobicContact CD2-CG2 3.66Å; F323-V325 HydrophobicContact CE2-CG2 3.44Å; F323-V325 VanDerWaalsContact CE2-CG2 3.44Å; V325-L332 HydrophobicContact CG1-CD1 4.15Å; V325-L332 HydrophobicContact CG1-CD2 3.98Å; V325-L332 HydrophobicContact CG1-CG 3.78Å; V325-F333 VanDerWaalsContact CA-O 3.24Å; V325-F333 WeakPolarHBondContact CA-O 3.22Å; V325-F333 WeakPolarHBondContact CG1-O 3.32Å; V325-V334 HydrophobicContact CG2-CG2 4.45Å; V325-V702 HydrophobicContact CB-CG1 4.18Å; V325-V702 HydrophobicContact CG1-CG1 3.6Å; V325-V702 HydrophobicContact CG1-CG2 4.16Å
326S96.2Very high94.2Very high5 Ų524.4 Ų24.44%0.03515%0.148CC..EExtended strand (participates in β ladder)trans-134.2145.8174.4-800000110.3F333 S372 V373S326-F333 PolarHBondContact N-O 2.58Å; S326-F333 PolarHBondContact O-N 2.68Å; S326-S372 VanDerWaalsContact OG-C 3.24Å; S326-S372 VanDerWaalsContact OG-CB 3.27Å; S326-S372 WeakPolarHBondContact OG-CB 3.31Å; S326-S372 PolarHBondContact OG-O 2.99Å; S326-S372 PolarHBondContact OG-OG 2.91Å; S326-V373 PolarHBondContact OG-N 2.81Å
327V95.2Very high94.3Very high33 Ų3320.9 Ų20.920%0.213%0.126CC..EExtended strand (participates in β ladder)trans-112.2130.2171.8174.80000109.1T331 L332 S374 V702 L704V327-T331 WeakPolarHBondContact CA-O 3.3Å; V327-L332 HydrophobicContact CG2-CB 4.45Å; V327-S374 WeakPolarHBondContact O-CB 3.17Å; V327-S374 PolarHBondContact O-OG 3.1Å; V327-V702 HydrophobicContact CG2-CB 3.65Å; V327-V702 HydrophobicContact CG2-CG1 4.03Å; V327-V702 HydrophobicContact CG2-CG2 3.64Å; V327-L704 HydrophobicContact CB-CD2 4.35Å; V327-L704 HydrophobicContact CG1-CD2 3.59Å; V327-L704 HydrophobicContact CG2-CD2 3.76Å; V327-L704 HydrophobicContact CG2-CG 4.49Å
328I89.5Confident94.4Very high4 Ų422.5 Ų22.52%0.02113%0.134CC..EExtended strand (participates in β ladder)trans-142.9131.6175.7-165.8165.7000109.9N330 T331 F333 Y379 I380 I452I328-N330 PolarHBondContact O-N 3.21Å; I328-N330 VanDerWaalsContact O-N 3.15Å; I328-T331 PolarHBondContact N-O 3.47Å; I328-T331 WeakPolarHBondContact O-CB 3.23Å; I328-T331 PolarHBondContact O-N 2.72Å; I328-F333 HydrophobicContact CG2-CD2 3.74Å; I328-F333 HydrophobicContact CG2-CE2 3.32Å; I328-F333 HydrophobicContact CG2-CZ 4.15Å; I328-Y379 VanDerWaalsContact CD1-N 3.32Å; I328-Y379 WeakPolarHBondContact CD1-O 3.43Å; I328-I380 HydrophobicContact CD1-CG1 4.23Å; I328-I380 HydrophobicContact CG2-CD1 4.03Å; I328-I380 HydrophobicContact CG2-CG1 4.3Å; I328-I452 HydrophobicContact CD1-CD1 4.28Å; I328-I452 HydrophobicContact CD1-CG2 4.23Å; I328-I452 HydrophobicContact CG1-CD1 4.4Å; I328-I452 HydrophobicContact CG2-CD1 4.44Å; I328-I452 HydrophobicContact CG2-CG2 3.99Å
329A82.9Confident94.5Very high70 Ų7021.6 Ų21.658%0.57913%0.126SC*.THydrogen-bonded Turntrans46.645-176.500000113T331A329-T331 PolarHBondContact O-N 3.1Å; A329-T331 VanDerWaalsContact O-N 3.16Å
330N88.8Confident94.3Very high32 Ų3223.8 Ų23.817%0.17115%0.147CC..THydrogen-bonded Turntrans58.422-177.1-158.348.5000115.3I328 P352 N705I328-N330 PolarHBondContact O-N 3.21Å; I328-N330 VanDerWaalsContact O-N 3.15Å; N330-P352 WeakPolarHBondContact ND2-CG 3.33Å; N330-P352 WeakPolarHBondContact O-CD 3.48Å; N330-P352 WeakPolarHBondContact O-CG 3.43Å; N330-N705 PolarHBondContact ND2-O 3.45Å; N330-N705 WeakPolarHBondContact OD1-CA 3.28Å; N330-N705 WeakPolarHBondContact OD1-CB 3.34Å; N330-N705 PolarHBondContact OD1-N 3.22Å; N330-N705 PolarHBondContact OD1-O 2.74Å
331T91.7Very high93.7Very high32 Ų3227.1 Ų27.120%0.19618%0.182CC..EExtended strand (participates in β ladder)trans-113.1129.7173.7-57.60000108.1V327 I328 A329 F333 A349 Y350V327-T331 WeakPolarHBondContact CA-O 3.3Å; I328-T331 PolarHBondContact N-O 3.47Å; I328-T331 WeakPolarHBondContact O-CB 3.23Å; I328-T331 PolarHBondContact O-N 2.72Å; A329-T331 PolarHBondContact O-N 3.1Å; A329-T331 VanDerWaalsContact O-N 3.16Å; T331-F333 HydrophobicContact CG2-CD2 4.15Å; T331-F333 HydrophobicContact CG2-CE2 3.53Å; T331-F333 HydrophobicContact CG2-CZ 4.1Å; T331-A349 HydrophobicContact CG2-CB 4.03Å; T331-Y350 VanDerWaalsContact CG2-O 3.32Å; T331-Y350 WeakPolarHBondContact CG2-O 3.45Å
332L97.1Very high93.7Very high0 Ų030.9 Ų30.90%020%0.203CC..EExtended strand (participates in β ladder)trans-88.9134.9178.8179.7158.8000109.5V286 L288 M299 V325 V327 V334 A349 Y350 W357 V702 L704V286-L332 HydrophobicContact CG1-CD1 4.05Å; L288-L332 HydrophobicContact CD1-CD1 4.31Å; L288-L332 HydrophobicContact CD1-CD2 3.7Å; L288-L332 HydrophobicContact CD2-CD1 3.85Å; M299-L332 HydrophobicContact SD-CD1 4.48Å; V325-L332 HydrophobicContact CG1-CD1 4.15Å; V325-L332 HydrophobicContact CG1-CD2 3.98Å; V325-L332 HydrophobicContact CG1-CG 3.78Å; V327-L332 HydrophobicContact CG2-CB 4.45Å; L332-V334 HydrophobicContact CD2-CG2 3.82Å; L332-A349 CarbonylContact O-C 3.54Å; L332-A349 WeakPolarHBondContact O-CA 3.15Å; L332-Y350 PolarHBondContact N-O 2.79Å; L332-Y350 PolarHBondContact O-N 3.27Å; L332-W357 HydrophobicContact CD2-CH2 3.69Å; L332-W357 HydrophobicContact CD2-CZ3 4.06Å; L332-V702 HydrophobicContact CD1-CG2 3.46Å; L332-V702 VanDerWaalsContact CD1-CG2 3.46Å; L332-V702 HydrophobicContact CG-CG2 4.22Å; L332-L704 HydrophobicContact CB-CD1 4.03Å; L332-L704 HydrophobicContact CB-CD2 4.23Å; L332-L704 HydrophobicContact CD1-CD1 4.19Å
333F97.9Very high93.7Very high5 Ų529.6 Ų29.62%0.02220%0.2CC..EExtended strand (participates in β ladder)trans-117.9133.8177.1-73.7-105.5000110.7V325 S326 I328 T331 I335 V347 Y348 A349 R360 I380 Y450 I452V325-F333 VanDerWaalsContact CA-O 3.24Å; V325-F333 WeakPolarHBondContact CA-O 3.22Å; V325-F333 WeakPolarHBondContact CG1-O 3.32Å; S326-F333 PolarHBondContact N-O 2.58Å; S326-F333 PolarHBondContact O-N 2.68Å; I328-F333 HydrophobicContact CG2-CD2 3.74Å; I328-F333 HydrophobicContact CG2-CE2 3.32Å; I328-F333 HydrophobicContact CG2-CZ 4.15Å; T331-F333 HydrophobicContact CG2-CD2 4.15Å; T331-F333 HydrophobicContact CG2-CE2 3.53Å; T331-F333 HydrophobicContact CG2-CZ 4.1Å; F333-I335 HydrophobicContact CB-CD1 4.44Å; F333-I335 HydrophobicContact CB-CG1 4.43Å; F333-V347 HydrophobicContact CD1-CG1 4.12Å; F333-Y348 CarbonylContact C-O 3.59Å; F333-Y348 VanDerWaalsContact CA-O 3.28Å; F333-Y348 WeakPolarHBondContact CA-O 3.35Å; F333-A349 HydrophobicContact CD1-CB 3.92Å; F333-A349 HydrophobicContact CE1-CB 3.72Å; F333-A349 HydrophobicContact CE2-CB 4.37Å; F333-A349 HydrophobicContact CG-CB 4.35Å; F333-A349 HydrophobicContact CZ-CB 3.96Å; F333-R360 HydrophobicContact CE1-CG 4Å; F333-I380 HydrophobicContact CB-CD1 3.9Å; F333-I380 HydrophobicContact CD1-CD1 3.99Å; F333-I380 HydrophobicContact CD2-CD1 3.79Å; F333-I380 HydrophobicContact CE1-CD1 4.46Å; F333-I380 HydrophobicContact CE2-CD1 4.31Å; F333-I380 HydrophobicContact CG-CD1 3.62Å; F333-Y450 HydrophobicContact CD1-CE1 4.32Å; F333-Y450 AromaticContact CE1-CE1 3.71Å; F333-Y450 HydrophobicContact CE1-CE1 3.71Å; F333-Y450 HydrophobicContact CZ-CE1 4.43Å; F333-I452 HydrophobicContact CZ-CG2 4.07Å
334V98.2Very high93.7Very high1 Ų130.2 Ų30.21%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-109.8122.9171.4174.80000108L288 M315 L320 F323 V325 L332 V347 Y348 W357L288-V334 HydrophobicContact CD1-CG2 3.39Å; M315-V334 HydrophobicContact SD-CG1 4.11Å; M315-V334 HydrophobicContact SD-CG2 3.95Å; L320-V334 HydrophobicContact CD2-CG1 3.85Å; F323-V334 HydrophobicContact CB-CG1 4.15Å; F323-V334 HydrophobicContact CD2-CG1 3.69Å; F323-V334 HydrophobicContact CE2-CG1 4.25Å; F323-V334 HydrophobicContact CG-CG1 3.96Å; V325-V334 HydrophobicContact CG2-CG2 4.45Å; L332-V334 HydrophobicContact CD2-CG2 3.82Å; V334-V347 WeakPolarHBondContact O-CA 3.49Å; V334-Y348 PolarHBondContact N-O 3.27Å; V334-Y348 PolarHBondContact O-N 3.36Å; V334-W357 HydrophobicContact CB-CZ3 4.49Å; V334-W357 HydrophobicContact CG2-CH2 3.8Å; V334-W357 HydrophobicContact CG2-CZ3 3.82Å
335I98.4Very high93.8Very high0 Ų033 Ų330%022%0.218CC..EExtended strand (participates in β ladder)trans-125.6124.8-170-59.8168.1000110S324 F333 V347 M363 H370 I380 V382 W457S324-I335 PolarHBondContact N-O 3.09Å; S324-I335 PolarHBondContact O-N 2.79Å; F333-I335 HydrophobicContact CB-CD1 4.44Å; F333-I335 HydrophobicContact CB-CG1 4.43Å; I335-V347 HydrophobicContact CG1-CG1 4.07Å; I335-V347 HydrophobicContact CG2-CG2 4.4Å; I335-M363 HydrophobicContact CG2-CE 3.84Å; I335-M363 HydrophobicContact CG2-CG 4.09Å; I335-M363 HydrophobicContact CG2-SD 3.38Å; I335-M363 WeakPolarHBondContact CG2-SD 3.37Å; I335-H370 PolarHBondContact O-CE1 3.43Å; I335-H370 VanDerWaalsContact O-CE1 3.29Å; I335-H370 PolarHBondContact O-NE2 3.4Å; I335-I380 HydrophobicContact CD1-CD1 4.47Å; I335-I380 HydrophobicContact CD1-CG2 3.77Å; I335-V382 HydrophobicContact CD1-CG2 4.36Å; I335-V382 HydrophobicContact CG2-CG2 4.2Å; I335-W457 HydrophobicContact CD1-CH2 4.33Å; I335-W457 HydrophobicContact CG2-CH2 4.29Å
336G97.7Very high93.8Very high0 Ų032.1 Ų32.10%021%0.213CC..EExtended strand (participates in β ladder)trans61.3-147.2173.100000114.5F323 M344 S346 M363F323-G336 WeakPolarHBondContact CB-O 3.17Å; G336-M344 WeakPolarHBondContact CA-O 3.27Å; G336-S346 PolarHBondContact N-O 3.45Å; G336-M363 VanDerWaalsContact CA-CE 3.47Å
337G96.8Very high93.9Very high0 Ų031.9 Ų31.90%021%0.212CC..EExtended strand (participates in β ladder)trans111.8-167.217900000113.8A321 W322 M344 R367A321-G337 CarbonylContact O-C 3.44Å; A321-G337 WeakPolarHBondContact O-CA 3.49Å; W322-G337 WeakPolarHBondContact O-CA 3.37Å; G337-M344 PolarHBondContact O-N 2.92Å; G337-R367 PolarHBondContact N-O 3.28Å
338I95.3Very high94Very high40 Ų4031.9 Ų31.921%0.20521%0.208CC..EExtended strand (participates in β ladder)trans-118.6124.2179.6-59.1170.3000108.2L320 A321 W322 T342 L343 A368L320-I338 WeakPolarHBondContact CA-O 3.48Å; A321-I338 PolarHBondContact N-O 3.43Å; A321-I338 PolarHBondContact O-N 3.47Å; W322-I338 HydrophobicContact CB-CD1 4.26Å; W322-I338 HydrophobicContact CB-CG1 4.46Å; W322-I338 HydrophobicContact CG-CD1 4.28Å; I338-T342 WeakPolarHBondContact CA-O 3.46Å; I338-L343 HydrophobicContact CG1-CD2 3.96Å; I338-A368 HydrophobicContact CD1-CB 3.95Å; I338-A368 HydrophobicContact CG1-CB 3.45Å; I338-A368 VanDerWaalsContact CG1-CB 3.45Å
339K93.3Very high94.4Very high66 Ų6631.7 Ų31.729%0.28721%0.208SC..EExtended strand (participates in β ladder)trans-120.9120.2169.9175.9171.8169.6161.30109.1V317 D318 L320 G341 T342 M344V317-K339 HydrophobicContact CG2-CD 3.73Å; D318-K339 WeakPolarHBondContact OD1-CE 3.25Å; D318-K339 IonicContact OD1-NZ 3.39Å; D318-K339 PolarHBondContact OD1-NZ 3.02Å; L320-K339 HydrophobicContact CD1-CB 4.19Å; K339-G341 PolarHBondContact O-N 2.87Å; K339-G341 VanDerWaalsContact O-N 3.1Å; K339-T342 PolarHBondContact N-O 3.38Å; K339-T342 WeakPolarHBondContact O-CB 3.44Å; K339-T342 PolarHBondContact O-N 3.3Å; K339-M344 HydrophobicContact CB-CG 3.83Å; K339-M344 HydrophobicContact CB-SD 3.76Å; K339-M344 HydrophobicContact CD-CE 4.44Å
340A86.8Confident95Very high95 Ų9528.7 Ų28.779%0.78518%0.181SC*.THydrogen-bonded Turntrans4938.3178.300000114.2T342A340-T342 VanDerWaalsContact C-N 3.31Å; A340-T342 PolarHBondContact O-N 3.38Å
341G83.6Confident95Very high71 Ų7128.4 Ų28.473%0.73218%0.182SC*.THydrogen-bonded Turntrans84.6-6.1-178.900000115.3K339K339-G341 PolarHBondContact O-N 2.87Å; K339-G341 VanDerWaalsContact O-N 3.1Å
342T91.7Very high94.7Very high89 Ų8927.9 Ų27.955%0.54618%0.179SC..EExtended strand (participates in β ladder)trans-95.7134.3176.4-54.10000110.8I338 K339 A340I338-T342 WeakPolarHBondContact CA-O 3.46Å; K339-T342 PolarHBondContact N-O 3.38Å; K339-T342 WeakPolarHBondContact O-CB 3.44Å; K339-T342 PolarHBondContact O-N 3.3Å; A340-T342 VanDerWaalsContact C-N 3.31Å; A340-T342 PolarHBondContact O-N 3.38Å
343L95.8Very high93.8Very high26 Ų2632.2 Ų32.214%0.13621%0.205CC..EExtended strand (participates in β ladder)trans-69.3137.4169.8-63.6-177.6000110I338 A366 A368 V386 M388I338-L343 HydrophobicContact CG1-CD2 3.96Å; L343-A366 HydrophobicContact CB-CB 3.92Å; L343-A366 WeakPolarHBondContact O-CB 3.4Å; L343-A368 HydrophobicContact CD2-CB 3.56Å; L343-V386 WeakPolarHBondContact CD1-O 3.47Å; L343-V386 HydrophobicContact CD2-CG2 4.21Å; L343-M388 HydrophobicContact CD1-CB 4.23Å; L343-M388 HydrophobicContact CD1-CG 3.63Å; L343-M388 HydrophobicContact CG-CG 4.18Å
344M97.2Very high92.8Very high36 Ų3641.5 Ų41.518%0.17724%0.24CC..EExtended strand (participates in β ladder)trans-105.2144.4-178.2-59.3-62.2-6900111L320 G336 G337 K339 A366 R367L320-M344 HydrophobicContact CD1-CB 4.32Å; L320-M344 HydrophobicContact CD1-CG 3.78Å; G336-M344 WeakPolarHBondContact CA-O 3.27Å; G337-M344 PolarHBondContact O-N 2.92Å; K339-M344 HydrophobicContact CB-CG 3.83Å; K339-M344 HydrophobicContact CB-SD 3.76Å; K339-M344 HydrophobicContact CD-CE 4.44Å; M344-A366 WeakPolarHBondContact O-CA 3.44Å; M344-R367 PolarHBondContact O-N 3.29Å; M344-R367 VanDerWaalsContact O-N 3.09Å
345D97.6Very high92.2Very high65 Ų6544.5 Ų44.535%0.34826%0.261SS..EExtended strand (participates in β ladder)trans-104.4-4.3168.463.7-8000112.4C362 M363 A366D345-C362 HydrophobicContact CB-CB 4.19Å; D345-C362 CarbonylContact O-C 3.55Å; D345-C362 VanDerWaalsContact O-CA 3.29Å; D345-C362 WeakPolarHBondContact O-CA 3.37Å; D345-C362 WeakPolarHBondContact O-CB 3.48Å; D345-M363 HydrophobicContact CB-CB 4.34Å; D345-M363 PolarHBondContact O-N 3.32Å; D345-A366 HydrophobicContact CB-CB 4Å
346S97.8Very high91.8Very high5 Ų546.9 Ų46.94%0.03528%0.278CS..EExtended strand (participates in β ladder)trans-64.4143.8-172.658.70000112.6G336G336-S346 PolarHBondContact N-O 3.45Å
347V98.3Very high91.7Very high0 Ų049 Ų490%029%0.286CS..EExtended strand (participates in β ladder)trans-128.1125.2176.8-176.20000108.9F333 V334 I335 R360 K361 M363 W457F333-V347 HydrophobicContact CD1-CG1 4.12Å; V334-V347 WeakPolarHBondContact O-CA 3.49Å; I335-V347 HydrophobicContact CG1-CG1 4.07Å; I335-V347 HydrophobicContact CG2-CG2 4.4Å; V347-R360 HydrophobicContact CB-CB 4.08Å; V347-R360 HydrophobicContact CG1-CB 3.84Å; V347-R360 HydrophobicContact CG1-CG 4.45Å; V347-R360 PolarHBondContact O-N 3.15Å; V347-K361 WeakPolarHBondContact CG2-O 3.12Å; V347-M363 HydrophobicContact CG2-CG 4.24Å; V347-W457 HydrophobicContact CG2-CZ2 3.81Å
348Y98Very high91.6Very high32 Ų3251.2 Ų51.213%0.12530%0.302CS..EExtended strand (participates in β ladder)trans-121.2143.3177-60.6-76.8000110.5P316 V317 F333 V334 S358 Q359P316-Y348 HydrophobicContact CB-CD1 4.43Å; P316-Y348 HydrophobicContact CB-CE1 4.31Å; P316-Y348 HydrophobicContact CG-CD1 3.28Å; P316-Y348 HydrophobicContact CG-CD2 4.3Å; P316-Y348 HydrophobicContact CG-CE1 3.54Å; P316-Y348 HydrophobicContact CG-CG 3.69Å; V317-Y348 HydrophobicContact CB-CE2 3.94Å; V317-Y348 HydrophobicContact CG1-CD2 4.05Å; V317-Y348 HydrophobicContact CG1-CE2 3.66Å; F333-Y348 CarbonylContact C-O 3.59Å; F333-Y348 VanDerWaalsContact CA-O 3.28Å; F333-Y348 WeakPolarHBondContact CA-O 3.35Å; V334-Y348 PolarHBondContact N-O 3.27Å; V334-Y348 PolarHBondContact O-N 3.36Å; Y348-S358 CarbonylContact C-O 3.58Å; Y348-S358 WeakPolarHBondContact CA-O 3.23Å; Y348-Q359 HydrophobicContact CD1-CB 4.12Å; Y348-Q359 HydrophobicContact CD1-CG 4.25Å; Y348-Q359 HydrophobicContact CE1-CB 4.11Å; Y348-Q359 HydrophobicContact CE1-CG 4Å
349A97.2Very high91.7Very high1 Ų155.3 Ų55.31%0.00832%0.32CS..EExtended strand (participates in β ladder)trans-124.212717900000110.8T331 L332 F333 W357 S358 R360T331-A349 HydrophobicContact CG2-CB 4.03Å; L332-A349 CarbonylContact O-C 3.54Å; L332-A349 WeakPolarHBondContact O-CA 3.15Å; F333-A349 HydrophobicContact CD1-CB 3.92Å; F333-A349 HydrophobicContact CE1-CB 3.72Å; F333-A349 HydrophobicContact CE2-CB 4.37Å; F333-A349 HydrophobicContact CG-CB 4.35Å; F333-A349 HydrophobicContact CZ-CB 3.96Å; A349-W357 CarbonylContact O-C 3.51Å; A349-W357 WeakPolarHBondContact O-CA 3.23Å; A349-S358 PolarHBondContact N-O 3.07Å; A349-S358 PolarHBondContact O-N 2.86Å; A349-S358 PolarHBondContact O-OG 2.82Å; A349-R360 HydrophobicContact CB-CG 3.85Å
350Y96.5Very high91.9Very high6 Ų656.7 Ų56.72%0.02432%0.323CS..EExtended strand (participates in β ladder)trans-102.5126.2174.3176.5-107.2000110.8M299 P313 T331 L332 P352 S355 S356 W357 L704M299-Y350 HydrophobicContact CE-CD1 3.59Å; M299-Y350 HydrophobicContact CE-CD2 3.81Å; M299-Y350 HydrophobicContact CE-CE1 3.39Å; M299-Y350 HydrophobicContact CE-CE2 3.63Å; M299-Y350 HydrophobicContact CE-CG 3.8Å; M299-Y350 VanDerWaalsContact CE-CZ 3.4Å; M299-Y350 HydrophobicContact SD-CD1 4.28Å; M299-Y350 HydrophobicContact SD-CE1 4.48Å; P313-Y350 HydrophobicContact CB-CE2 4.32Å; P313-Y350 HydrophobicContact CG-CE2 4.09Å; T331-Y350 VanDerWaalsContact CG2-O 3.32Å; T331-Y350 WeakPolarHBondContact CG2-O 3.45Å; L332-Y350 PolarHBondContact N-O 2.79Å; L332-Y350 PolarHBondContact O-N 3.27Å; Y350-P352 HydrophobicContact CE1-CB 4.11Å; Y350-S355 PolarHBondContact OH-OG 3.48Å; Y350-S356 WeakPolarHBondContact CD2-O 3.22Å; Y350-W357 AromaticContact CD2-CD1 3.91Å; Y350-W357 HydrophobicContact CD2-CD2 4.07Å; Y350-W357 AromaticContact CD2-CE2 3.78Å; Y350-W357 HydrophobicContact CD2-CG 4.14Å; Y350-W357 HydrophobicContact CD2-CZ2 4.33Å; Y350-W357 AromaticContact CD2-NE1 3.65Å; Y350-W357 HydrophobicContact CG-CD2 4.34Å; Y350-W357 HydrophobicContact CG-CZ2 4.2Å; Y350-L704 HydrophobicContact CD1-CD1 4.17Å; Y350-L704 HydrophobicContact CE1-CD1 4.36Å
351S88.2Confident92.4Very high27 Ų2758 Ų5819%0.18931%0.311CS..EExtended strand (participates in β ladder)trans-100.1115.5171.8-1790000109.4V353 R354 S355 S356S351-V353 VanDerWaalsContact C-N 3.25Å; S351-V353 PolarHBondContact O-N 3.01Å; S351-R354 PolarHBondContact O-N 2.73Å; S351-R354 PolarHBondContact OG-N 3Å; S351-S355 WeakPolarHBondContact O-CA 3.44Å; S351-S355 PolarHBondContact O-N 3.33Å; S351-S356 PolarHBondContact N-O 3.46Å; S351-S356 PolarHBondContact O-N 2.87Å
352P85.6Confident93.1Very high20 Ų2056.5 Ų56.513%0.1329%0.29CS..THydrogen-bonded Turntrans-63.7-34.4175.624.5-32.4000111.6N330 Y350 R354 S355 L704 M706N330-P352 WeakPolarHBondContact ND2-CG 3.33Å; N330-P352 WeakPolarHBondContact O-CD 3.48Å; N330-P352 WeakPolarHBondContact O-CG 3.43Å; Y350-P352 HydrophobicContact CE1-CB 4.11Å; P352-R354 VanDerWaalsContact C-N 3.33Å; P352-R354 PolarHBondContact O-N 3.3Å; P352-S355 PolarHBondContact O-N 3.19Å; P352-L704 HydrophobicContact CG-CD1 4.4Å; P352-M706 HydrophobicContact CB-CG 3.75Å; P352-M706 HydrophobicContact CB-SD 4.18Å
353V77.1Confident93.4Very high92 Ų9252.5 Ų52.556%0.55827%0.265SS*.THydrogen-bonded Turntrans-60.4-42.2177.4179.30000111.7S351S351-V353 VanDerWaalsContact C-N 3.25Å; S351-V353 PolarHBondContact O-N 3.01Å
354R78.5Confident93.4Very high199 Ų19955.9 Ų55.975%0.75129%0.288SS*.THydrogen-bonded Turntrans-94.80.2-178.8-59.3-178.5178.3-179.3-1.9113.2S351 P352 S356S351-R354 PolarHBondContact O-N 2.73Å; S351-R354 PolarHBondContact OG-N 3Å; P352-R354 VanDerWaalsContact C-N 3.33Å; P352-R354 PolarHBondContact O-N 3.3Å; R354-S356 VanDerWaalsContact CB-OG 3.23Å; R354-S356 WeakPolarHBondContact CB-OG 3.47Å; R354-S356 WeakPolarHBondContact O-CB 3.43Å; R354-S356 PolarHBondContact O-N 3.28Å; R354-S356 PolarHBondContact O-OG 2.96Å
355S85.4Confident93.3Very high64 Ų6457.5 Ų57.545%0.44830%0.295SS..THydrogen-bonded Turntrans36.149-167.9-1590000113.3P313 Y350 S351 P352P313-S355 WeakPolarHBondContact CG-O 3.45Å; P313-S355 WeakPolarHBondContact CG-OG 3.49Å; Y350-S355 PolarHBondContact OH-OG 3.48Å; S351-S355 WeakPolarHBondContact O-CA 3.44Å; S351-S355 PolarHBondContact O-N 3.33Å; P352-S355 PolarHBondContact O-N 3.19Å
356S88.6Confident93.3Very high51 Ų5155.8 Ų55.836%0.35729%0.29SS..EExtended strand (participates in β ladder)trans-149.5152.3-173.950.40000113.4Y350 S351 R354Y350-S356 WeakPolarHBondContact CD2-O 3.22Å; S351-S356 PolarHBondContact N-O 3.46Å; S351-S356 PolarHBondContact O-N 2.87Å; R354-S356 VanDerWaalsContact CB-OG 3.23Å; R354-S356 WeakPolarHBondContact CB-OG 3.47Å; R354-S356 WeakPolarHBondContact O-CB 3.43Å; R354-S356 PolarHBondContact O-N 3.28Å; R354-S356 PolarHBondContact O-OG 2.96Å
357W96.2Very high93.2Very high43 Ų4355.7 Ų55.716%0.16329%0.289CS..EExtended strand (participates in β ladder)trans-95.1147.3177.2-69.793.1000111.3L288 M299 P313 S314 M315 P316 L332 V334 A349 Y350L288-W357 HydrophobicContact CD1-CH2 3.99Å; M299-W357 HydrophobicContact CE-CZ2 4.1Å; M299-W357 HydrophobicContact SD-CH2 4.47Å; M299-W357 HydrophobicContact SD-CZ2 3.82Å; P313-W357 PolarHBondContact O-NE1 3.19Å; S314-W357 VanDerWaalsContact O-CD1 3.27Å; S314-W357 PolarHBondContact O-NE1 2.81Å; S314-W357 VanDerWaalsContact O-NE1 3.09Å; M315-W357 HydrophobicContact CB-CZ2 4.48Å; M315-W357 HydrophobicContact CG-CH2 3.79Å; M315-W357 HydrophobicContact CG-CZ2 3.76Å; P316-W357 HydrophobicContact CG-CB 4.16Å; P316-W357 HydrophobicContact CG-CG 4.43Å; L332-W357 HydrophobicContact CD2-CH2 3.69Å; L332-W357 HydrophobicContact CD2-CZ3 4.06Å; V334-W357 HydrophobicContact CB-CZ3 4.49Å; V334-W357 HydrophobicContact CG2-CH2 3.8Å; V334-W357 HydrophobicContact CG2-CZ3 3.82Å; A349-W357 CarbonylContact O-C 3.51Å; A349-W357 WeakPolarHBondContact O-CA 3.23Å; Y350-W357 AromaticContact CD2-CD1 3.91Å; Y350-W357 HydrophobicContact CD2-CD2 4.07Å; Y350-W357 AromaticContact CD2-CE2 3.78Å; Y350-W357 HydrophobicContact CD2-CG 4.14Å; Y350-W357 HydrophobicContact CD2-CZ2 4.33Å; Y350-W357 AromaticContact CD2-NE1 3.65Å; Y350-W357 HydrophobicContact CG-CD2 4.34Å; Y350-W357 HydrophobicContact CG-CZ2 4.2Å
358S95.4Very high93.2Very high48 Ų4855.7 Ų55.734%0.33629%0.289SS..EExtended strand (participates in β ladder)trans-135.8144.9173.756.60000109.8Y348 A349Y348-S358 CarbonylContact C-O 3.58Å; Y348-S358 WeakPolarHBondContact CA-O 3.23Å; A349-S358 PolarHBondContact N-O 3.07Å; A349-S358 PolarHBondContact O-N 2.86Å; A349-S358 PolarHBondContact O-OG 2.82Å
359Q97Very high93Very high126 Ų12657.7 Ų57.759%0.58930%0.296SS*.EExtended strand (participates in β ladder)trans-85.3141.9172.2-171173.6-1.800109.9Y348Y348-Q359 HydrophobicContact CD1-CB 4.12Å; Y348-Q359 HydrophobicContact CD1-CG 4.25Å; Y348-Q359 HydrophobicContact CE1-CB 4.11Å; Y348-Q359 HydrophobicContact CE1-CG 4Å
360R97.4Very high93Very high94 Ų9458.1 Ų58.136%0.35530%0.298SS..EExtended strand (participates in β ladder)trans-117.2176.9178.7-62.1-61.8-174.9174.72.3110.9F333 V347 A349 C362F333-R360 HydrophobicContact CE1-CG 4Å; V347-R360 HydrophobicContact CB-CB 4.08Å; V347-R360 HydrophobicContact CG1-CB 3.84Å; V347-R360 HydrophobicContact CG1-CG 4.45Å; V347-R360 PolarHBondContact O-N 3.15Å; A349-R360 HydrophobicContact CB-CG 3.85Å; R360-C362 PolarHBondContact O-N 3.13Å
361K98Very high93Very high122 Ų12259.8 Ų59.853%0.5331%0.306SS..PPolyproline II helixtrans-56.3124.3176-170.371.2177.3-178.40111.2V347 Y450 D455 W457V347-K361 WeakPolarHBondContact CG2-O 3.12Å; K361-Y450 HydrophobicContact CB-CE2 4.24Å; K361-D455 VanDerWaalsContact CB-O 3.27Å; K361-D455 WeakPolarHBondContact CB-O 3.18Å; K361-D455 VanDerWaalsContact CB-OD1 3.22Å; K361-D455 WeakPolarHBondContact CB-OD1 3.4Å; K361-D455 WeakPolarHBondContact CG-O 3.39Å; K361-D455 PolarHBondContact N-OD1 2.9Å; K361-W457 PolarHBondContact O-NE1 3.34Å
362C98.2Very high93.5Very high41 Ų4158.6 Ų58.628%0.27730%0.298SS..PPolyproline II helixtrans-60.4150.7173.7-61.60000111.8D345 R360 W457D345-C362 HydrophobicContact CB-CB 4.19Å; D345-C362 CarbonylContact O-C 3.55Å; D345-C362 VanDerWaalsContact O-CA 3.29Å; D345-C362 WeakPolarHBondContact O-CA 3.37Å; D345-C362 WeakPolarHBondContact O-CB 3.48Å; R360-C362 PolarHBondContact O-N 3.13Å; C362-W457 PolarHBondContact O-NE1 3.33Å
363M97.8Very high94Very high5 Ų558.4 Ų58.43%0.02530%0.296CS..PPolyproline II helixtrans-60.5152.7172.4-68.5-175-68.100110.9I335 G336 D345 V347 Q365 R367 I448 W457I335-M363 HydrophobicContact CG2-CE 3.84Å; I335-M363 HydrophobicContact CG2-CG 4.09Å; I335-M363 HydrophobicContact CG2-SD 3.38Å; I335-M363 WeakPolarHBondContact CG2-SD 3.37Å; G336-M363 VanDerWaalsContact CA-CE 3.47Å; D345-M363 HydrophobicContact CB-CB 4.34Å; D345-M363 PolarHBondContact O-N 3.32Å; V347-M363 HydrophobicContact CG2-CG 4.24Å; M363-Q365 PolarHBondContact O-N 2.84Å; M363-R367 HydrophobicContact CE-CG 3.58Å; M363-R367 HydrophobicContact SD-CG 3.85Å; M363-I448 HydrophobicContact CB-CD1 4.28Å; M363-I448 HydrophobicContact CG-CD1 4.07Å; M363-I448 HydrophobicContact SD-CD1 3.98Å; M363-W457 HydrophobicContact CG-CD2 4.39Å; M363-W457 HydrophobicContact CG-CH2 3.91Å; M363-W457 HydrophobicContact CG-CZ2 3.66Å; M363-W457 HydrophobicContact CG-CZ3 4.39Å; M363-W457 HydrophobicContact SD-CH2 4.46Å
364P96.2Very high94.8Very high96 Ų9656 Ų5662%0.62328%0.283SS*.SBendtrans-62.4-22.4176.1-22.734000114.1W457P364-W457 HydrophobicContact CG-CB 3.73Å; P364-W457 HydrophobicContact CG-CG 4.38Å
365Q94.5Very high95.3Very high70 Ų7046.6 Ų46.633%0.32725%0.248SC..SBendtrans-146.4129-178.5-172.8-171.326.200109.4M363 R367 T387 E444M363-Q365 PolarHBondContact O-N 2.84Å; Q365-R367 PolarHBondContact O-N 3.22Å; Q365-T387 VanDerWaalsContact CD-CG2 3.47Å; Q365-T387 HydrophobicContact CG-CG2 3.97Å; Q365-T387 PolarHBondContact NE2-OG1 2.92Å; Q365-E444 PolarHBondContact NE2-OE2 3.21Å; Q365-E444 PolarHBondContact OE1-OE1 3.41Å; Q365-E444 PolarHBondContact OE1-OE2 2.76Å; Q365-E444 VanDerWaalsContact OE1-OE2 3.05Å
366A97.1Very high95Very high30 Ų3046 Ų4625%0.24825%0.252CS..  trans-63.2131.2176.900000111.4L343 M344 D345 T387L343-A366 HydrophobicContact CB-CB 3.92Å; L343-A366 WeakPolarHBondContact O-CB 3.4Å; M344-A366 WeakPolarHBondContact O-CA 3.44Å; D345-A366 HydrophobicContact CB-CB 4Å; A366-T387 WeakPolarHBondContact O-CG2 3.43Å
367R97.1Very high94.5Very high2 Ų248 Ų481%0.00827%0.265CS..  trans-150156.3-177.260.2178.569.1-1702.2113G337 M344 M363 Q365 H370 G384 V386 T387 E444 S446G337-R367 PolarHBondContact N-O 3.28Å; M344-R367 PolarHBondContact O-N 3.29Å; M344-R367 VanDerWaalsContact O-N 3.09Å; M363-R367 HydrophobicContact CE-CG 3.58Å; M363-R367 HydrophobicContact SD-CG 3.85Å; Q365-R367 PolarHBondContact O-N 3.22Å; R367-H370 PolarHBondContact O-CE1 3.37Å; R367-H370 PolarHBondContact O-ND1 2.77Å; R367-G384 PolarHBondContact NH1-O 3.48Å; R367-V386 VanDerWaalsContact CA-O 3.27Å; R367-V386 WeakPolarHBondContact CA-O 2.96Å; R367-T387 HydrophobicContact CB-CG2 3.78Å; R367-E444 VanDerWaalsContact NH2-CG 3.35Å; R367-E444 IonicContact NH2-OE1 3.57Å; R367-S446 PolarHBondContact NH1-O 2.93Å; R367-S446 PolarHBondContact NH2-OG 3.26Å
368A96.7Very high94.1Very high0 Ų051 Ų510%028%0.277CS..BIsolated β-bridgetrans-139.3168.4175.700000111.4W322 I338 L343 H370 G385 V386W322-A368 HydrophobicContact CB-CB 4.31Å; I338-A368 HydrophobicContact CD1-CB 3.95Å; I338-A368 HydrophobicContact CG1-CB 3.45Å; I338-A368 VanDerWaalsContact CG1-CB 3.45Å; L343-A368 HydrophobicContact CD2-CB 3.56Å; A368-H370 WeakPolarHBondContact CA-ND1 3.27Å; A368-H370 PolarHBondContact O-N 2.88Å; A368-H370 VanDerWaalsContact O-N 3.08Å; A368-G385 CarbonylContact O-C 3.54Å; A368-G385 WeakPolarHBondContact O-CA 3.47Å; A368-V386 HydrophobicContact CB-CG2 4.3Å; A368-V386 PolarHBondContact N-O 3.32Å; A368-V386 PolarHBondContact O-N 3Å
369R95.2Very high94Very high74 Ų7449.6 Ų49.628%0.27927%0.265SS..SBendtrans55.725.3179.9-55.2-174.9178.1-172.510.6113.8W322 L468 E469W322-R369 HydrophobicContact CB-CG 3.84Å; W322-R369 HydrophobicContact CD2-CG 3.86Å; W322-R369 HydrophobicContact CE3-CG 3.78Å; W322-R369 HydrophobicContact CG-CG 3.93Å; W322-R369 PolarHBondContact O-N 2.86Å; R369-L468 HydrophobicContact CB-CB 4.21Å; R369-E469 HydrophobicContact CB-CG 4.13Å; R369-E469 WeakPolarHBondContact CD-OE1 3.48Å; R369-E469 HydrophobicContact CG-CG 4.36Å; R369-E469 IonicContact CZ-OE1 3.62Å; R369-E469 IonicContact NE-OE1 2.68Å; R369-E469 IonicContact NH1-OE1 3.22Å; R369-E469 PolarHBondContact NH1-OE1 2.96Å; R369-E469 PolarHBondContact O-N 3.34Å
370H96.9Very high94Very high10 Ų1043.6 Ų43.65%0.04624%0.236CC..  trans-93.2167.417457.5-88.4000109.1S324 I335 R367 A368 V382 F383 G384S324-H370 PolarHBondContact OG-CD2 2.76Å; S324-H370 PolarHBondContact OG-NE2 3.01Å; I335-H370 PolarHBondContact O-CE1 3.43Å; I335-H370 VanDerWaalsContact O-CE1 3.29Å; I335-H370 PolarHBondContact O-NE2 3.4Å; R367-H370 PolarHBondContact O-CE1 3.37Å; R367-H370 PolarHBondContact O-ND1 2.77Å; A368-H370 WeakPolarHBondContact CA-ND1 3.27Å; A368-H370 PolarHBondContact O-N 2.88Å; A368-H370 VanDerWaalsContact O-N 3.08Å; H370-V382 HydrophobicContact CB-CG1 4.06Å; H370-V382 VanDerWaalsContact CD2-CG1 3.43Å; H370-V382 WeakPolarHBondContact CD2-CG1 3.37Å; H370-F383 WeakPolarHBondContact CA-O 3.46Å; H370-F383 VanDerWaalsContact CB-O 3.29Å; H370-F383 WeakPolarHBondContact CB-O 3.16Å; H370-G384 VanDerWaalsContact CB-O 3.29Å; H370-G384 WeakPolarHBondContact CB-O 3.28Å
371F96.9Very high94Very high41 Ų4139.1 Ų39.118%0.1822%0.22CC..EExtended strand (participates in β ladder)trans-112.5148.1172.1-155.6-94.7000111V382 F383 S470 H471 V472F371-V382 CarbonylContact O-C 3.51Å; F371-V382 WeakPolarHBondContact O-CA 3.44Å; F371-F383 PolarHBondContact N-O 3.19Å; F371-F383 PolarHBondContact O-N 3.03Å; F371-S470 WeakPolarHBondContact CD2-O 3.5Å; F371-H471 HydrophobicContact CE2-CB 4.45Å; F371-H471 AromaticContact CE2-CD2 3.57Å; F371-H471 AromaticContact CE2-CE1 3.18Å; F371-H471 WeakPolarHBondContact CE2-CE1 3.21Å; F371-H471 AromaticContact CE2-CG 3.54Å; F371-H471 AromaticContact CE2-ND1 3.31Å; F371-H471 VanDerWaalsContact CE2-ND1 3.31Å; F371-H471 WeakPolarHBondContact CE2-ND1 3.42Å; F371-H471 AromaticContact CE2-NE2 3.34Å; F371-H471 VanDerWaalsContact CE2-NE2 3.34Å; F371-H471 WeakPolarHBondContact CE2-NE2 3.34Å; F371-H471 AromaticContact CZ-CE1 3.39Å; F371-H471 WeakPolarHBondContact CZ-CE1 3.41Å; F371-H471 AromaticContact CZ-CG 3.99Å; F371-H471 AromaticContact CZ-ND1 3.34Å; F371-H471 VanDerWaalsContact CZ-ND1 3.34Å; F371-H471 WeakPolarHBondContact CZ-ND1 3.46Å; F371-V472 HydrophobicContact CB-CB 4.48Å; F371-V472 HydrophobicContact CB-CG2 4.08Å; F371-V472 HydrophobicContact CD1-CB 3.72Å; F371-V472 HydrophobicContact CD1-CG2 4.24Å; F371-V472 VanDerWaalsContact CD1-N 3.3Å; F371-V472 WeakPolarHBondContact CD1-O 3.14Å; F371-V472 HydrophobicContact CE1-CB 4.42Å; F371-V472 WeakPolarHBondContact CE1-O 3.23Å; F371-V472 HydrophobicContact CG-CB 4.36Å; F371-V472 HydrophobicContact CG-CG2 4.42Å
372S97.4Very high94.1Very high3 Ų333.3 Ų33.32%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-125.1143.4171.659.70000111.8S324 S326 F381S324-S372 VanDerWaalsContact CB-OG 3.23Å; S324-S372 WeakPolarHBondContact CB-OG 3.5Å; S324-S372 VanDerWaalsContact OG-CB 3.28Å; S324-S372 WeakPolarHBondContact OG-CB 3.49Å; S324-S372 PolarHBondContact OG-OG 2.88Å; S326-S372 VanDerWaalsContact OG-C 3.24Å; S326-S372 VanDerWaalsContact OG-CB 3.27Å; S326-S372 WeakPolarHBondContact OG-CB 3.31Å; S326-S372 PolarHBondContact OG-O 2.99Å; S326-S372 PolarHBondContact OG-OG 2.91Å; S372-F381 CarbonylContact C-O 3.55Å; S372-F381 WeakPolarHBondContact CA-O 3.27Å
373V95.9Very high94Very high16 Ų1631.5 Ų31.510%0.09718%0.182CC..EExtended strand (participates in β ladder)trans-138.5135.1-177.660.40000109.9S326 I380 F381 F383 V472 L474 F546S326-V373 PolarHBondContact OG-N 2.81Å; V373-I380 WeakPolarHBondContact O-CA 3.36Å; V373-F381 HydrophobicContact CG1-CB 4.05Å; V373-F381 PolarHBondContact N-O 2.84Å; V373-F381 PolarHBondContact O-N 3.27Å; V373-F383 HydrophobicContact CG1-CD2 4.31Å; V373-F383 HydrophobicContact CG1-CE2 3.9Å; V373-V472 HydrophobicContact CG1-CG1 4.29Å; V373-L474 HydrophobicContact CG2-CB 4.09Å; V373-F546 HydrophobicContact CG1-CD1 3.75Å; V373-F546 HydrophobicContact CG1-CE1 3.47Å; V373-F546 VanDerWaalsContact CG1-CE1 3.47Å
374S93.6Very high93.9Very high41 Ų4131.3 Ų31.329%0.28718%0.181SC..EExtended strand (participates in β ladder)trans-84.5142.7175.654.60000111.4V327 Y379V327-S374 WeakPolarHBondContact O-CB 3.17Å; V327-S374 PolarHBondContact O-OG 3.1Å; S374-Y379 WeakPolarHBondContact CA-O 3.32Å
375V90.2Very high93.8Very high2 Ų226.8 Ų26.81%0.01215%0.152CC..EExtended strand (participates in β ladder)trans-126.2111.7177.8179.30000108.7Y379 F381 L474 F546 L568 Y572V375-Y379 PolarHBondContact N-O 2.9Å; V375-Y379 PolarHBondContact O-N 2.8Å; V375-F381 HydrophobicContact CB-CD2 4.05Å; V375-F381 HydrophobicContact CB-CE2 3.77Å; V375-F381 HydrophobicContact CG1-CE2 4.36Å; V375-F381 HydrophobicContact CG2-CD2 3.39Å; V375-F381 HydrophobicContact CG2-CE2 3.47Å; V375-F381 VanDerWaalsContact CG2-CE2 3.47Å; V375-F381 HydrophobicContact CG2-CG 4.4Å; V375-L474 HydrophobicContact CB-CD2 4.3Å; V375-L474 HydrophobicContact CG1-CD2 4.17Å; V375-L474 HydrophobicContact CG2-CD1 4.41Å; V375-L474 HydrophobicContact CG2-CD2 3.92Å; V375-F546 HydrophobicContact CG2-CE1 3.69Å; V375-F546 HydrophobicContact CG2-CZ 3.66Å; V375-L568 HydrophobicContact CG1-CD2 3.73Å; V375-Y572 HydrophobicContact CG1-CD1 4.5Å; V375-Y572 HydrophobicContact CG1-CE1 4.17Å
376G78.9Confident93.9Very high52 Ų5224.1 Ų24.154%0.53614%0.14SC..THydrogen-bonded Turntrans59.5-145.5-173.400000111.7
377S78.9Confident93.8Very high91 Ų9122.8 Ų22.864%0.63613%0.129SC*.THydrogen-bonded Turntrans-100.66.8-178560000114.2I452S377-I452 WeakPolarHBondContact O-CD1 3.43Å
378R86.4Confident93.5Very high106 Ų10626.5 Ų26.540%0.415%0.147SC..THydrogen-bonded Turntrans-127.7-33.9-170.7-176.3172.6176.1-178.8-3.3116.7D451 I452R378-D451 IonicContact CZ-OD1 2.69Å; R378-D451 IonicContact CZ-OD2 3.46Å; R378-D451 VanDerWaalsContact CZ-OD2 3.22Å; R378-D451 VanDerWaalsContact NE-CG 3.32Å; R378-D451 IonicContact NE-OD1 3.64Å; R378-D451 PolarHBondContact NE-OD1 3.21Å; R378-D451 IonicContact NE-OD2 3.79Å; R378-D451 PolarHBondContact NE-OD2 3.42Å; R378-D451 IonicContact NH2-OD1 3.68Å; R378-D451 IonicContact NH2-OD2 2.97Å; R378-D451 PolarHBondContact NH2-OD2 2.9Å; R378-I452 HydrophobicContact CG-CG1 4.47Å; R378-I452 WeakPolarHBondContact O-CG1 3.41Å; R378-I452 WeakPolarHBondContact O-CG2 3.21Å; R378-I452 PolarHBondContact O-N 3.47Å; R378-I452 VanDerWaalsContact O-N 3.09Å
379Y93.9Very high92.8Very high20 Ų2028.3 Ų28.38%0.07816%0.16CC..EExtended strand (participates in β ladder)trans-115.3141.1-168.6-61.8-63.9000112.9I328 S374 V375 R449 Y450 D451 Y572I328-Y379 VanDerWaalsContact CD1-N 3.32Å; I328-Y379 WeakPolarHBondContact CD1-O 3.43Å; S374-Y379 WeakPolarHBondContact CA-O 3.32Å; V375-Y379 PolarHBondContact N-O 2.9Å; V375-Y379 PolarHBondContact O-N 2.8Å; Y379-R449 HydrophobicContact CD1-CG 3.9Å; Y379-R449 HydrophobicContact CG-CG 4.2Å; Y379-Y450 VanDerWaalsContact CA-O 3.31Å; Y379-Y450 WeakPolarHBondContact CA-O 3.29Å; Y379-D451 HydrophobicContact CD1-CB 4.02Å; Y379-D451 HydrophobicContact CE1-CB 3.7Å; Y379-D451 VanDerWaalsContact CE1-CG 3.49Å; Y379-D451 VanDerWaalsContact CE1-OD2 3.3Å; Y379-D451 WeakPolarHBondContact CE1-OD2 3.33Å; Y379-Y572 AromaticContact CD2-CD1 3.62Å; Y379-Y572 HydrophobicContact CD2-CD1 3.62Å; Y379-Y572 HydrophobicContact CD2-CD2 4.49Å; Y379-Y572 AromaticContact CD2-CE1 3.53Å; Y379-Y572 HydrophobicContact CD2-CE1 3.53Å; Y379-Y572 HydrophobicContact CD2-CE2 4.43Å; Y379-Y572 HydrophobicContact CD2-CG 4.11Å; Y379-Y572 AromaticContact CD2-CZ 3.97Å; Y379-Y572 AromaticContact CE2-CD1 3.88Å; Y379-Y572 HydrophobicContact CE2-CD1 3.88Å; Y379-Y572 AromaticContact CE2-CD2 3.91Å; Y379-Y572 HydrophobicContact CE2-CD2 3.91Å; Y379-Y572 AromaticContact CE2-CE1 3.75Å; Y379-Y572 HydrophobicContact CE2-CE1 3.75Å; Y379-Y572 AromaticContact CE2-CE2 3.78Å; Y379-Y572 HydrophobicContact CE2-CE2 3.78Å; Y379-Y572 AromaticContact CE2-CG 3.95Å; Y379-Y572 HydrophobicContact CE2-CG 3.95Å; Y379-Y572 AromaticContact CE2-CZ 3.7Å
380I97.4Very high91.6Very high0 Ų029 Ų290%017%0.173CC..EExtended strand (participates in β ladder)trans-115.7131.2165.8-59.8171.5000107.6I328 F333 I335 V373 R449 Y450I328-I380 HydrophobicContact CD1-CG1 4.23Å; I328-I380 HydrophobicContact CG2-CD1 4.03Å; I328-I380 HydrophobicContact CG2-CG1 4.3Å; F333-I380 HydrophobicContact CB-CD1 3.9Å; F333-I380 HydrophobicContact CD1-CD1 3.99Å; F333-I380 HydrophobicContact CD2-CD1 3.79Å; F333-I380 HydrophobicContact CE1-CD1 4.46Å; F333-I380 HydrophobicContact CE2-CD1 4.31Å; F333-I380 HydrophobicContact CG-CD1 3.62Å; I335-I380 HydrophobicContact CD1-CD1 4.47Å; I335-I380 HydrophobicContact CD1-CG2 3.77Å; V373-I380 WeakPolarHBondContact O-CA 3.36Å; I380-R449 CarbonylContact O-C 3.57Å; I380-R449 WeakPolarHBondContact O-CA 3.49Å; I380-Y450 HydrophobicContact CD1-CD1 4.31Å; I380-Y450 PolarHBondContact N-O 3.13Å; I380-Y450 PolarHBondContact O-N 3.3Å
381F97.9Very high89.4Confident0 Ų033.4 Ų33.40%020%0.197CC..EExtended strand (participates in β ladder)trans-107.2142.9175.2-70.5-108.9000109.3S372 V373 V375 F383 I447 I448 R449 V460 F546 L568 Y572 V574S372-F381 CarbonylContact C-O 3.55Å; S372-F381 WeakPolarHBondContact CA-O 3.27Å; V373-F381 HydrophobicContact CG1-CB 4.05Å; V373-F381 PolarHBondContact N-O 2.84Å; V373-F381 PolarHBondContact O-N 3.27Å; V375-F381 HydrophobicContact CB-CD2 4.05Å; V375-F381 HydrophobicContact CB-CE2 3.77Å; V375-F381 HydrophobicContact CG1-CE2 4.36Å; V375-F381 HydrophobicContact CG2-CD2 3.39Å; V375-F381 HydrophobicContact CG2-CE2 3.47Å; V375-F381 VanDerWaalsContact CG2-CE2 3.47Å; V375-F381 HydrophobicContact CG2-CG 4.4Å; F381-F383 HydrophobicContact CB-CD2 4.32Å; F381-F383 HydrophobicContact CB-CE2 3.68Å; F381-I447 HydrophobicContact CD1-CG2 4.39Å; F381-I448 CarbonylContact C-O 3.31Å; F381-I448 WeakPolarHBondContact CA-O 3.32Å; F381-R449 HydrophobicContact CD1-CB 4.09Å; F381-R449 HydrophobicContact CD1-CG 4.2Å; F381-R449 HydrophobicContact CD2-CG 4.11Å; F381-R449 HydrophobicContact CE1-CB 3.97Å; F381-R449 HydrophobicContact CE1-CG 3.86Å; F381-R449 HydrophobicContact CE2-CG 3.75Å; F381-R449 HydrophobicContact CG-CB 4.5Å; F381-R449 HydrophobicContact CG-CG 4.32Å; F381-R449 HydrophobicContact CZ-CB 4.26Å; F381-R449 VanDerWaalsContact CZ-CD 3.41Å; F381-R449 HydrophobicContact CZ-CG 3.63Å; F381-V460 HydrophobicContact CD1-CG2 3.92Å; F381-V460 HydrophobicContact CE1-CG2 3.83Å; F381-F546 HydrophobicContact CB-CE1 4.46Å; F381-F546 HydrophobicContact CB-CZ 4.29Å; F381-F546 HydrophobicContact CD1-CE2 4.44Å; F381-F546 HydrophobicContact CD1-CZ 4.03Å; F381-F546 HydrophobicContact CD2-CZ 4.02Å; F381-F546 HydrophobicContact CE1-CZ 4.33Å; F381-F546 HydrophobicContact CE2-CZ 4.33Å; F381-F546 HydrophobicContact CG-CE1 4.44Å; F381-F546 AromaticContact CG-CZ 3.86Å; F381-F546 HydrophobicContact CG-CZ 3.86Å; F381-F546 HydrophobicContact CZ-CZ 4.47Å; F381-L568 HydrophobicContact CE1-CD1 3.91Å; F381-L568 HydrophobicContact CZ-CD1 3.66Å; F381-Y572 HydrophobicContact CZ-CD1 4.27Å; F381-V574 HydrophobicContact CD1-CG2 3.87Å; F381-V574 HydrophobicContact CE1-CG2 3.63Å
382V98.1Very high86.8Confident0 Ų036.1 Ų36.10%022%0.221CC..EExtended strand (participates in β ladder)trans-122.5127.5178.2178.60000109I335 H370 F371 I447 I448 W457I335-V382 HydrophobicContact CD1-CG2 4.36Å; I335-V382 HydrophobicContact CG2-CG2 4.2Å; H370-V382 HydrophobicContact CB-CG1 4.06Å; H370-V382 VanDerWaalsContact CD2-CG1 3.43Å; H370-V382 WeakPolarHBondContact CD2-CG1 3.37Å; F371-V382 CarbonylContact O-C 3.51Å; F371-V382 WeakPolarHBondContact O-CA 3.44Å; V382-I447 WeakPolarHBondContact O-CA 3.43Å; V382-I448 HydrophobicContact CB-CD1 4.28Å; V382-I448 HydrophobicContact CB-CG1 3.71Å; V382-I448 HydrophobicContact CG1-CG1 4.4Å; V382-I448 HydrophobicContact CG2-CG1 4.33Å; V382-I448 PolarHBondContact N-O 3.19Å; V382-I448 PolarHBondContact O-N 2.84Å; V382-I448 VanDerWaalsContact O-N 3.13Å; V382-W457 HydrophobicContact CG2-CH2 3.75Å; V382-W457 HydrophobicContact CG2-CZ3 3.73Å
383F97.4Very high83.7Confident2 Ų242.6 Ų42.61%0.00926%0.255CS..EExtended strand (participates in β ladder)trans-116.3134.7-176.1-72.3-103.8000110.7H370 F371 V373 F381 I447 V472 F546 Y566 V574H370-F383 WeakPolarHBondContact CA-O 3.46Å; H370-F383 VanDerWaalsContact CB-O 3.29Å; H370-F383 WeakPolarHBondContact CB-O 3.16Å; F371-F383 PolarHBondContact N-O 3.19Å; F371-F383 PolarHBondContact O-N 3.03Å; V373-F383 HydrophobicContact CG1-CD2 4.31Å; V373-F383 HydrophobicContact CG1-CE2 3.9Å; F381-F383 HydrophobicContact CB-CD2 4.32Å; F381-F383 HydrophobicContact CB-CE2 3.68Å; F383-I447 HydrophobicContact CD1-CD1 3.84Å; F383-I447 HydrophobicContact CD1-CG1 3.76Å; F383-I447 HydrophobicContact CD1-CG2 4.07Å; F383-I447 HydrophobicContact CD2-CG2 4.32Å; F383-I447 HydrophobicContact CE1-CB 4.5Å; F383-I447 HydrophobicContact CE1-CD1 3.56Å; F383-I447 HydrophobicContact CE1-CG1 3.89Å; F383-I447 HydrophobicContact CE1-CG2 3.78Å; F383-I447 HydrophobicContact CE2-CG2 4.04Å; F383-I447 HydrophobicContact CG-CG1 4.48Å; F383-I447 HydrophobicContact CG-CG2 4.32Å; F383-I447 HydrophobicContact CZ-CD1 4.46Å; F383-I447 HydrophobicContact CZ-CG2 3.75Å; F383-V472 HydrophobicContact CB-CG2 3.99Å; F383-V472 HydrophobicContact CD2-CG1 4.2Å; F383-V472 HydrophobicContact CD2-CG2 4.31Å; F383-V472 HydrophobicContact CE2-CG1 4.17Å; F383-V472 HydrophobicContact CG-CG2 4.05Å; F383-V472 HydrophobicContact CZ-CG1 4.46Å; F383-F546 HydrophobicContact CE2-CD1 4.03Å; F383-F546 HydrophobicContact CE2-CE1 4.12Å; F383-F546 HydrophobicContact CE2-CG 4.21Å; F383-F546 HydrophobicContact CE2-CZ 4.38Å; F383-F546 HydrophobicContact CZ-CB 4.07Å; F383-F546 AromaticContact CZ-CD1 3.95Å; F383-F546 HydrophobicContact CZ-CD1 3.95Å; F383-F546 AromaticContact CZ-CD2 3.71Å; F383-F546 HydrophobicContact CZ-CD2 3.71Å; F383-F546 HydrophobicContact CZ-CE1 4.25Å; F383-F546 HydrophobicContact CZ-CE2 4.01Å; F383-F546 AromaticContact CZ-CG 3.65Å; F383-F546 HydrophobicContact CZ-CG 3.65Å; F383-F546 HydrophobicContact CZ-CZ 4.26Å; F383-Y566 HydrophobicContact CD1-CE2 4.43Å; F383-Y566 AromaticContact CE1-CD2 3.99Å; F383-Y566 HydrophobicContact CE1-CD2 3.99Å; F383-Y566 HydrophobicContact CE1-CE2 4.33Å; F383-Y566 HydrophobicContact CE1-CG 4.09Å; F383-V574 HydrophobicContact CE1-CG1 4.45Å; F383-V574 HydrophobicContact CZ-CG1 4.5Å
384G94.7Very high80.8Confident2 Ų249.3 Ų49.32%0.02129%0.285CS..  trans63.1-149.4166.600000114.8R367 H370 E444 R467R367-G384 PolarHBondContact NH1-O 3.48Å; H370-G384 VanDerWaalsContact CB-O 3.29Å; H370-G384 WeakPolarHBondContact CB-O 3.28Å; G384-E444 WeakPolarHBondContact CA-O 3.48Å; G384-R467 WeakPolarHBondContact CA-O 3.38Å
385G95.4Very high77.6Confident0 Ų059.6 Ų59.60%032%0.318CS..  trans95.9-166.3-17700000113.7A368 E444 R467A368-G385 CarbonylContact O-C 3.54Å; A368-G385 WeakPolarHBondContact O-CA 3.47Å; G385-E444 WeakPolarHBondContact O-CB 3.38Å; G385-E444 PolarHBondContact O-N 3.24Å; G385-R467 PolarHBondContact N-O 2.81Å
386V95.1Very high74.8Confident15 Ų1568.7 Ų68.79%0.09135%0.353CS..EExtended strand (participates in β ladder)trans-116.3140.8178.1-64.30000111.2L343 R367 A368 L441 N442 L468L343-V386 WeakPolarHBondContact CD1-O 3.47Å; L343-V386 HydrophobicContact CD2-CG2 4.21Å; R367-V386 VanDerWaalsContact CA-O 3.27Å; R367-V386 WeakPolarHBondContact CA-O 2.96Å; A368-V386 HydrophobicContact CB-CG2 4.3Å; A368-V386 PolarHBondContact N-O 3.32Å; A368-V386 PolarHBondContact O-N 3Å; V386-L441 HydrophobicContact CB-CD2 4.3Å; V386-L441 HydrophobicContact CG2-CD2 4.43Å; V386-N442 WeakPolarHBondContact CA-O 3.42Å; V386-L468 HydrophobicContact CG1-CB 4.23Å; V386-L468 HydrophobicContact CG1-CD2 3.58Å
387T95.5Very high72.4Confident2 Ų275.6 Ų75.61%0.01237%0.371CS..EExtended strand (participates in β ladder)trans-128.4162.4176.558.70000110.5Q365 A366 R367 L441 N442 E444Q365-T387 VanDerWaalsContact CD-CG2 3.47Å; Q365-T387 HydrophobicContact CG-CG2 3.97Å; Q365-T387 PolarHBondContact NE2-OG1 2.92Å; A366-T387 WeakPolarHBondContact O-CG2 3.43Å; R367-T387 HydrophobicContact CB-CG2 3.78Å; T387-L441 WeakPolarHBondContact O-CA 3.5Å; T387-N442 PolarHBondContact N-O 3.4Å; T387-N442 PolarHBondContact O-N 3.42Å; T387-E444 HydrophobicContact CG2-CB 3.87Å; T387-E444 HydrophobicContact CG2-CG 3.72Å; T387-E444 WeakPolarHBondContact CG2-OE2 3.29Å; T387-E444 PolarHBondContact OG1-OE2 3.24Å
388M90.6Very high70.1Confident79 Ų7976 Ų7639%0.38937%0.373SS..EExtended strand (participates in β ladder)trans-111.6131.5177-71.3-59-65.300110.2L343 P439 T440 L441L343-M388 HydrophobicContact CD1-CB 4.23Å; L343-M388 HydrophobicContact CD1-CG 3.63Å; L343-M388 HydrophobicContact CG-CG 4.18Å; M388-P439 HydrophobicContact CE-CB 3.02Å; M388-P439 HydrophobicContact CE-CG 4.41Å; M388-T440 WeakPolarHBondContact CA-O 3.27Å; M388-L441 HydrophobicContact CE-CG 4.47Å; M388-L441 HydrophobicContact CG-CD2 4.27Å; M388-L441 HydrophobicContact SD-CB 4.14Å; M388-L441 HydrophobicContact SD-CD2 3.2Å; M388-L441 WeakPolarHBondContact SD-CD2 3.22Å; M388-L441 HydrophobicContact SD-CG 3.37Å; M388-L441 WeakPolarHBondContact SD-CG 3.34Å
389S83Confident67.3Low38 Ų3876.1 Ų76.127%0.26639%0.391SS..EExtended strand (participates in β ladder)trans-115.4142.6167.359.90000111.8T440 N442S389-T440 PolarHBondContact N-O 2.86Å; S389-T440 PolarHBondContact O-N 2.91Å; S389-T440 VanDerWaalsContact O-N 3.1Å; S389-T440 PolarHBondContact O-OG1 3.03Å; S389-T440 PolarHBondContact OG-OG1 3.06Å; S389-N442 WeakPolarHBondContact CB-ND2 3.5Å; S389-N442 PolarHBondContact OG-ND2 3Å
390T70.3Confident64.3Low90 Ų9082 Ų8255%0.55242%0.424SS*.  trans-100.4124.8162.352.80000108.1S392T390-S392 VanDerWaalsContact C-N 3.26Å; T390-S392 PolarHBondContact O-N 3.08Å
391N50.9Low61.2Low102 Ų10293.5 Ų93.555%0.54547%0.467SS..  trans-71.780.5179.2-97.4-12.8000110.4N393N391-N393 PolarHBondContact O-N 3.25Å
392S41Very low57.9Low97 Ų9799 Ų9968%0.67850%0.5SS*.  trans-80.268.5170.137.90000110.3T390 H394T390-S392 VanDerWaalsContact C-N 3.26Å; T390-S392 PolarHBondContact O-N 3.08Å; S392-H394 PolarHBondContact O-N 3.48Å
393N33.3Very low54.6Low140 Ų140106.1 Ų106.175%0.74954%0.537SS*.  trans-75.656.3168.1-95.5-13.3000111.2N391N391-N393 PolarHBondContact O-N 3.25Å
394H34.9Very low51.4Low157 Ų157115.1 Ų115.173%0.72758%0.581SS**  trans-153.691.4157.9-87.6-57.1000109.5S392 Y396S392-H394 PolarHBondContact O-N 3.48Å; H394-Y396 VanDerWaalsContact C-N 3.32Å; H394-Y396 HydrophobicContact CB-CD2 4.2Å; H394-Y396 HydrophobicContact CB-CE2 4.49Å; H394-Y396 PolarHBondContact O-N 3.03Å
395R26.6Very low48.2Very low257 Ų257121.3 Ų121.397%0.9761%0.614SS**  trans-59.195.8158.2-78.3179.4174.8166.5-1.3108.5
396Y31.6Very low45.1Very low193 Ų193129 Ų12976%0.75765%0.649SS**  trans-103.2111.4155-87.4-81.4000108.6H394 S398H394-Y396 VanDerWaalsContact C-N 3.32Å; H394-Y396 HydrophobicContact CB-CD2 4.2Å; H394-Y396 HydrophobicContact CB-CE2 4.49Å; H394-Y396 PolarHBondContact O-N 3.03Å; Y396-S398 PolarHBondContact O-N 3.41Å
397H27.2Very low42Very low197 Ų197136.8 Ų136.891%0.91269%0.69SS**  trans-53114.5155.7-87.5-66.5000109.1
398S31.6Very low38.8Very low98 Ų98144.7 Ų144.769%0.68573%0.727SS**  trans-170.2108.3146.7530000109.7Y396 D400Y396-S398 PolarHBondContact O-N 3.41Å; S398-D400 PolarHBondContact O-N 3.38Å
399S27.8Very low35.9Very low109 Ų109148.7 Ų148.776%0.76274%0.744SS**  trans-29.1113.6141.638.80000111.8
400D30.2Very low33.4Very low145 Ų145152.1 Ų152.178%0.77576%0.764SS**  trans168.8128143.1-86.5-22.6000111.3S398S398-D400 PolarHBondContact O-N 3.38Å
401R31.7Very low31.5Very low241 Ų241154.7 Ų154.791%0.90977%0.774SS**  trans137.573.3163.5-79.3174.7-175.4-151.42.2108.5
402V29.7Very low30.5Very low115 Ų115154.8 Ų154.870%0.69778%0.783SS**  53.195.572-171.60000112.5
403I28.1Very low29.9Very low150 Ų150155.2 Ų155.277%0.76979%0.786SS**  48.3118.5129.6-50.4171.1000117.4
404M29.2Very low29.9Very low190 Ų190154.1 Ų154.194%0.93679%0.789SS**  -159.886.8127.5-92.9-107.8-110.800109.9
405N28.4Very low29.6Very low133 Ų133153.9 Ų153.971%0.71179%0.793SS**  trans-86.6153.4157.4-100.9-5.9000109
406H30Very low29.8Very low161 Ų161153.3 Ų153.375%0.74579%0.791SS**  trans75.1115.7161.7-63.1-54000118.4
407L31.4Very low29.6Very low178 Ų178155.3 Ų155.393%0.93280%0.797SS**  -156.9110.2117.6-97.3155.2000109.2
408Q27.3Very low29.8Very low169 Ų169153.3 Ų153.379%0.7979%0.793SS**  trans-92.4159.8163.4-141.21736.800107.2
409E30.4Very low29.7Very low162 Ų162158 Ų15876%0.75780%0.804SS**  trans101.1107.7158.9-69.3-173.5178.600121.1
410T29.4Very low29.8Very low111 Ų111158.8 Ų158.868%0.68180%0.804SS**  101.2118123.263.20000120.6
411N30.7Very low29.8Very low144 Ų144157 Ų15777%0.7780%0.802SS**  trans87.2118.5135.2-68.1-17.5000121.9
412S30.2Very low29.7Very low104 Ų104150.8 Ų150.873%0.72780%0.796SS**  89.8106.3129.864.20000119.4
413S28.8Very low29.6Very low105 Ų105156.4 Ų156.473%0.73481%0.805SS**  trans47.7109.5134.160.50000118.5
414S33.5Very low29.6Very low118 Ų118158 Ų15883%0.82581%0.814SS**  171.6140.5100.748.30000111.9
415N28.3Very low29.8Very low151 Ų151154.3 Ų154.381%0.80781%0.807SS**  trans-28.2131.4168.1-69.5-41.6000115.5
416R29.8Very low29.9Very low245 Ų245152.8 Ų152.893%0.92581%0.813SS**  -178.1132.2111.8-97164.8-166.7-155.84.6112.1
417R27.8Very low29.9Very low236 Ų236155 Ų15589%0.89182%0.821SS**  trans-40.7134.6164.2-66.5170174.1161-2.2111.1
418N31.4Very low30.1Very low155 Ų155152 Ų15283%0.82981%0.805SS**  trans-161.3119.5141.8-92.4-25.2000111.1
419H30.5Very low30.6Very low195 Ų195149.3 Ų149.390%0.90380%0.803SS**  trans-53.9128.5161.5-79.5-88.6000110.1
420V30Very low30.9Very low127 Ų127148.3 Ų148.377%0.7780%0.803SS**  trans-135.3103.6161.4-176.60000109.5
421S28.6Very low31.1Very low106 Ų106149.4 Ų149.474%0.74180%0.804SS**  trans-54127.4156.5171.80000110.1
422S30.7Very low31.2Very low112 Ų112147.7 Ų147.778%0.78380%0.8SS**  trans-118.887.5166.545.60000108.5
423R28.2Very low31.4Very low232 Ų232149.3 Ų149.388%0.87581%0.806SS**  50.891.1112.2-71.8-173.1178.6-175.20114.7S425R423-S425 PolarHBondContact O-N 3.18Å
424L27.2Very low31.9Very low183 Ų183149.5 Ų149.596%0.95880%0.803SS**  trans-52.6115.6149.2-74.6142.1000109.4
425S32.9Very low32.2Very low114 Ų114153.2 Ų153.280%0.79781%0.807SS**PPolyproline II helixtrans-88.3133.716753.40000110.2R423R423-S425 PolarHBondContact O-N 3.18Å
426A31.4Very low33Very low100 Ų100152.8 Ų152.883%0.82680%0.804SS**PPolyproline II helixtrans-56.2137.5-168.500000115.8
427F30.1Very low34Very low208 Ų208146.5 Ų146.591%0.91279%0.789SS**PPolyproline II helixtrans-67.6125.3162-109.9-96.4000109.7
428N35.4Very low35.6Very low114 Ų114142 Ų14261%0.6178%0.781SS**PPolyproline II helixtrans-101.1117.5170.4-167.6-3.2000108.5N430N428-N430 PolarHBondContact O-N 3.38Å; N428-N430 VanDerWaalsContact O-N 3.14Å
429P36.7Very low37.5Very low113 Ų113138.3 Ų138.373%0.73477%0.765SS**THydrogen-bonded Turntrans-786-168.1-11.327.4000115.9
430N36.5Very low40.1Very low141 Ų141131.6 Ų131.675%0.75474%0.738SS**THydrogen-bonded Turntrans-124.928.3-163.5-69.2-27.2000115.6N428N428-N430 PolarHBondContact O-N 3.38Å; N428-N430 VanDerWaalsContact O-N 3.14Å
431L34.2Very low42.8Very low135 Ų135131.2 Ų131.271%0.70773%0.731SS**SBendtrans-96.1140.1165.9-95.1100000111.3V433L431-V433 PolarHBondContact O-N 3.39Å
432P33.1Very low45.8Very low108 Ų108129 Ų12970%0.70171%0.711SS**  trans-67.7130.6174.118.1-10.6000109.3T434P432-T434 PolarHBondContact O-N 3.11Å
433V33.7Very low48.8Very low138 Ų138125.7 Ų125.784%0.83668%0.682SS**  trans-67.590.9176.9-177.40000109L431L431-V433 PolarHBondContact O-N 3.39Å
434T40.1Very low52Low109 Ų109115.6 Ų115.667%0.66965%0.645SS**  trans-67.8129.2154.945.60000107.5P432 L436P432-T434 PolarHBondContact O-N 3.11Å; T434-L436 PolarHBondContact O-N 3.28Å
435E38.9Very low55.2Low196 Ų196112.2 Ų112.292%0.91662%0.623SS**  trans-4195.9175.8-78174.9142.700111
436L45Very low58.2Low142 Ų142107.3 Ų107.374%0.74359%0.588SS**  trans-79.8122.6170-92130.7000106.4T434 I438T434-L436 PolarHBondContact O-N 3.28Å; L436-I438 WeakPolarHBondContact O-CG1 3.43Å; L436-I438 PolarHBondContact O-N 3.4Å
437D51.4Low61.3Low113 Ų113102.5 Ų102.560%0.60455%0.549SS*.  trans-39.392.8179.6-70.8-41.5000112.6P439D437-P439 WeakPolarHBondContact O-CD 3.44Å
438I61.6Low64.6Low141 Ų14192.9 Ų92.972%0.72351%0.507SS*.  trans-72117.8178.2-56.6178.6000106.9L436 T440L436-I438 WeakPolarHBondContact O-CG1 3.43Å; L436-I438 PolarHBondContact O-N 3.4Å; I438-T440 PolarHBondContact O-N 3.47Å
439P71.4Confident67.5Low78 Ų7888.7 Ų88.751%0.50648%0.482SS..  trans-59.7128.9177.4-23.236000110.1M388 D437M388-P439 HydrophobicContact CE-CB 3.02Å; M388-P439 HydrophobicContact CE-CG 4.41Å; D437-P439 WeakPolarHBondContact O-CD 3.44Å
440T84Confident70.5Confident53 Ų5383.3 Ų83.333%0.32545%0.448SS..EExtended strand (participates in β ladder)trans-105.1129.9-179.4380000110.6M388 S389 I438M388-T440 WeakPolarHBondContact CA-O 3.27Å; S389-T440 PolarHBondContact N-O 2.86Å; S389-T440 PolarHBondContact O-N 2.91Å; S389-T440 VanDerWaalsContact O-N 3.1Å; S389-T440 PolarHBondContact O-OG1 3.03Å; S389-T440 PolarHBondContact OG-OG1 3.06Å; I438-T440 PolarHBondContact O-N 3.47Å
441L86.6Confident73.2Confident120 Ų12077 Ų7763%0.62841%0.414SS*.EExtended strand (participates in β ladder)trans-79.8127.3171.1-80.8164.5000108.9V386 T387 M388V386-L441 HydrophobicContact CB-CD2 4.3Å; V386-L441 HydrophobicContact CG2-CD2 4.43Å; T387-L441 WeakPolarHBondContact O-CA 3.5Å; M388-L441 HydrophobicContact CE-CG 4.47Å; M388-L441 HydrophobicContact CG-CD2 4.27Å; M388-L441 HydrophobicContact SD-CB 4.14Å; M388-L441 HydrophobicContact SD-CD2 3.2Å; M388-L441 WeakPolarHBondContact SD-CD2 3.22Å; M388-L441 HydrophobicContact SD-CG 3.37Å; M388-L441 WeakPolarHBondContact SD-CG 3.34Å
442N92.9Very high75.9Confident59 Ų5972.5 Ų72.532%0.31639%0.39SS..EExtended strand (participates in β ladder)trans-121.3147.4177.2-54.9-59.9000111.1V386 T387 S389V386-N442 WeakPolarHBondContact CA-O 3.42Å; T387-N442 PolarHBondContact N-O 3.4Å; T387-N442 PolarHBondContact O-N 3.42Å; S389-N442 WeakPolarHBondContact CB-ND2 3.5Å; S389-N442 PolarHBondContact OG-ND2 3Å
443F93.8Very high78.3Confident42 Ų4272 Ų7218%0.18439%0.388CS..EExtended strand (participates in β ladder)trans-74.3126.2168.4-77.8-114000109.4P466 L468 I552 E554F443-P466 HydrophobicContact CB-CB 3.9Å; F443-P466 HydrophobicContact CB-CG 3.73Å; F443-P466 WeakPolarHBondContact CD1-O 3.49Å; F443-L468 HydrophobicContact CD1-CD2 4.02Å; F443-L468 HydrophobicContact CE1-CD2 3.33Å; F443-L468 HydrophobicContact CE1-CG 3.84Å; F443-L468 HydrophobicContact CE2-CD2 4.07Å; F443-L468 HydrophobicContact CZ-CD2 3.37Å; F443-L468 HydrophobicContact CZ-CG 4.28Å; F443-I552 HydrophobicContact CE1-CG1 4.23Å; F443-I552 WeakPolarHBondContact CE1-O 3.48Å; F443-I552 HydrophobicContact CZ-CG1 4.36Å; F443-E554 HydrophobicContact CB-CG 4.36Å; F443-E554 HydrophobicContact CD1-CG 4.36Å; F443-E554 HydrophobicContact CD2-CG 3.39Å; F443-E554 HydrophobicContact CE2-CG 3.62Å; F443-E554 HydrophobicContact CG-CG 3.8Å; F443-E554 HydrophobicContact CZ-CG 4.18Å
444E95.1Very high81.2Confident21 Ų2168.3 Ų68.310%0.09837%0.368CS..  trans-85121.8-170.9-171.647.3-131.400111.5Q365 R367 G384 G385 T387 S446 P466Q365-E444 PolarHBondContact NE2-OE2 3.21Å; Q365-E444 PolarHBondContact OE1-OE1 3.41Å; Q365-E444 PolarHBondContact OE1-OE2 2.76Å; Q365-E444 VanDerWaalsContact OE1-OE2 3.05Å; R367-E444 VanDerWaalsContact NH2-CG 3.35Å; R367-E444 IonicContact NH2-OE1 3.57Å; G384-E444 WeakPolarHBondContact CA-O 3.48Å; G385-E444 WeakPolarHBondContact O-CB 3.38Å; G385-E444 PolarHBondContact O-N 3.24Å; T387-E444 HydrophobicContact CG2-CB 3.87Å; T387-E444 HydrophobicContact CG2-CG 3.72Å; T387-E444 WeakPolarHBondContact CG2-OE2 3.29Å; T387-E444 PolarHBondContact OG1-OE2 3.24Å; E444-S446 VanDerWaalsContact OE1-CB 3.3Å; E444-S446 WeakPolarHBondContact OE1-CB 3.46Å; E444-S446 PolarHBondContact OE1-N 2.99Å; E444-S446 VanDerWaalsContact OE1-N 3.16Å; E444-S446 PolarHBondContact OE1-OG 3.26Å; E444-P466 WeakPolarHBondContact O-CB 3.43Å
445K94.9Very high83.8Confident111 Ų11165.9 Ų65.948%0.48335%0.351SS..  trans-89.4-24.7-177.8-63.2-178.2-177.4-174.70113.1E462 T463 P466K445-E462 CarbonylContact O-C 3.56Å; K445-E462 VanDerWaalsContact O-CA 3.26Å; K445-E462 WeakPolarHBondContact O-CA 3.39Å; K445-T463 WeakPolarHBondContact O-CG2 3.18Å; K445-T463 PolarHBondContact O-N 3.17Å; K445-P466 HydrophobicContact CG-CB 3.94Å; K445-P466 HydrophobicContact CG-CG 3.82Å
446S95.5Very high86.6Confident11 Ų1159.5 Ų59.58%0.07733%0.326CS..EExtended strand (participates in β ladder)trans-74.7135.2-173640000112.5R367 E444R367-S446 PolarHBondContact NH1-O 2.93Å; R367-S446 PolarHBondContact NH2-OG 3.26Å; E444-S446 VanDerWaalsContact OE1-CB 3.3Å; E444-S446 WeakPolarHBondContact OE1-CB 3.46Å; E444-S446 PolarHBondContact OE1-N 2.99Å; E444-S446 VanDerWaalsContact OE1-N 3.16Å; E444-S446 PolarHBondContact OE1-OG 3.26Å
447I97.3Very high89.1Confident0 Ų053.9 Ų53.90%030%0.295CS..EExtended strand (participates in β ladder)trans-99.6116.7167.8-56.1166.3000106.4F381 V382 F383 N459 V460 G461 Y566 V574F381-I447 HydrophobicContact CD1-CG2 4.39Å; V382-I447 WeakPolarHBondContact O-CA 3.43Å; F383-I447 HydrophobicContact CD1-CD1 3.84Å; F383-I447 HydrophobicContact CD1-CG1 3.76Å; F383-I447 HydrophobicContact CD1-CG2 4.07Å; F383-I447 HydrophobicContact CD2-CG2 4.32Å; F383-I447 HydrophobicContact CE1-CB 4.5Å; F383-I447 HydrophobicContact CE1-CD1 3.56Å; F383-I447 HydrophobicContact CE1-CG1 3.89Å; F383-I447 HydrophobicContact CE1-CG2 3.78Å; F383-I447 HydrophobicContact CE2-CG2 4.04Å; F383-I447 HydrophobicContact CG-CG1 4.48Å; F383-I447 HydrophobicContact CG-CG2 4.32Å; F383-I447 HydrophobicContact CZ-CD1 4.46Å; F383-I447 HydrophobicContact CZ-CG2 3.75Å; I447-N459 PolarHBondContact O-OD1 2.92Å; I447-V460 HydrophobicContact CB-CG2 4.43Å; I447-V460 HydrophobicContact CG2-CG2 3.98Å; I447-V460 WeakPolarHBondContact O-CG2 3.47Å; I447-V460 PolarHBondContact O-N 2.99Å; I447-G461 PolarHBondContact N-O 3.44Å; I447-G461 PolarHBondContact O-N 3.05Å; I447-Y566 HydrophobicContact CD1-CD1 3.99Å; I447-Y566 HydrophobicContact CD1-CE1 4.14Å; I447-V574 HydrophobicContact CD1-CB 4.31Å; I447-V574 HydrophobicContact CD1-CG1 3.84Å; I447-V574 HydrophobicContact CG2-CB 4.46Å; I447-V574 HydrophobicContact CG2-CG2 4.26Å
448I97.8Very high91.3Very high5 Ų553 Ų533%0.02629%0.289CS..EExtended strand (participates in β ladder)trans-112.4146.5-17862174.5000110.7M363 F381 V382 W457 L458 N459M363-I448 HydrophobicContact CB-CD1 4.28Å; M363-I448 HydrophobicContact CG-CD1 4.07Å; M363-I448 HydrophobicContact SD-CD1 3.98Å; F381-I448 CarbonylContact C-O 3.31Å; F381-I448 WeakPolarHBondContact CA-O 3.32Å; V382-I448 HydrophobicContact CB-CD1 4.28Å; V382-I448 HydrophobicContact CB-CG1 3.71Å; V382-I448 HydrophobicContact CG1-CG1 4.4Å; V382-I448 HydrophobicContact CG2-CG1 4.33Å; V382-I448 PolarHBondContact N-O 3.19Å; V382-I448 PolarHBondContact O-N 2.84Å; V382-I448 VanDerWaalsContact O-N 3.13Å; I448-W457 HydrophobicContact CB-CE3 4.15Å; I448-W457 HydrophobicContact CB-CZ3 4.47Å; I448-W457 HydrophobicContact CD1-CD2 4.48Å; I448-W457 HydrophobicContact CD1-CE3 3.68Å; I448-W457 HydrophobicContact CD1-CZ3 3.7Å; I448-W457 HydrophobicContact CG1-CE3 3.85Å; I448-W457 HydrophobicContact CG1-CZ3 3.75Å; I448-L458 CarbonylContact C-O 3.58Å; I448-L458 VanDerWaalsContact CA-O 3.29Å; I448-L458 WeakPolarHBondContact CA-O 3.04Å; I448-N459 HydrophobicContact CG2-CB 4.44Å
449R97.7Very high93Very high27 Ų2750.6 Ų50.610%0.10228%0.278CS..EExtended strand (participates in β ladder)trans-118.4131.5179.1-173.2-169.277.9-155.710.3110.4Y379 I380 F381 W457 L458 V460 Y572Y379-R449 HydrophobicContact CD1-CG 3.9Å; Y379-R449 HydrophobicContact CG-CG 4.2Å; I380-R449 CarbonylContact O-C 3.57Å; I380-R449 WeakPolarHBondContact O-CA 3.49Å; F381-R449 HydrophobicContact CD1-CB 4.09Å; F381-R449 HydrophobicContact CD1-CG 4.2Å; F381-R449 HydrophobicContact CD2-CG 4.11Å; F381-R449 HydrophobicContact CE1-CB 3.97Å; F381-R449 HydrophobicContact CE1-CG 3.86Å; F381-R449 HydrophobicContact CE2-CG 3.75Å; F381-R449 HydrophobicContact CG-CB 4.5Å; F381-R449 HydrophobicContact CG-CG 4.32Å; F381-R449 HydrophobicContact CZ-CB 4.26Å; F381-R449 VanDerWaalsContact CZ-CD 3.41Å; F381-R449 HydrophobicContact CZ-CG 3.63Å; R449-W457 CarbonylContact O-C 3.52Å; R449-W457 VanDerWaalsContact O-CA 3.32Å; R449-W457 WeakPolarHBondContact O-CA 3.33Å; R449-L458 PolarHBondContact N-O 2.84Å; R449-L458 PolarHBondContact O-N 3.03Å; R449-V460 HydrophobicContact CB-CB 4.38Å; R449-V460 HydrophobicContact CB-CG1 3.56Å; R449-V460 HydrophobicContact CB-CG2 3.91Å; R449-Y572 PolarHBondContact NH1-O 3.15Å
450Y98.1Very high94.2Very high0 Ų047.4 Ų47.40%026%0.257CS..EExtended strand (participates in β ladder)trans-99.7132.3169.8-178.1-118.9000110.7F333 K361 Y379 I380 I452 D455 T456 W457F333-Y450 HydrophobicContact CD1-CE1 4.32Å; F333-Y450 AromaticContact CE1-CE1 3.71Å; F333-Y450 HydrophobicContact CE1-CE1 3.71Å; F333-Y450 HydrophobicContact CZ-CE1 4.43Å; K361-Y450 HydrophobicContact CB-CE2 4.24Å; Y379-Y450 VanDerWaalsContact CA-O 3.31Å; Y379-Y450 WeakPolarHBondContact CA-O 3.29Å; I380-Y450 HydrophobicContact CD1-CD1 4.31Å; I380-Y450 PolarHBondContact N-O 3.13Å; I380-Y450 PolarHBondContact O-N 3.3Å; Y450-I452 HydrophobicContact CD1-CG2 3.97Å; Y450-I452 HydrophobicContact CE1-CB 4.36Å; Y450-I452 HydrophobicContact CE1-CG2 3.81Å; Y450-D455 WeakPolarHBondContact CE2-OD1 3.31Å; Y450-D455 VanDerWaalsContact CZ-OD1 3.3Å; Y450-D455 PolarHBondContact OH-OD1 2.83Å; Y450-T456 WeakPolarHBondContact CA-O 3.31Å; Y450-W457 AromaticContact CD2-CD1 3.87Å; Y450-W457 AromaticContact CD2-CD2 3.87Å; Y450-W457 HydrophobicContact CD2-CD2 3.87Å; Y450-W457 AromaticContact CD2-CE2 3.46Å; Y450-W457 VanDerWaalsContact CD2-CE2 3.46Å; Y450-W457 HydrophobicContact CD2-CG 4.11Å; Y450-W457 AromaticContact CD2-CZ2 3.87Å; Y450-W457 HydrophobicContact CD2-CZ2 3.87Å; Y450-W457 AromaticContact CD2-NE1 3.45Å; Y450-W457 AromaticContact CE2-NE1 3.93Å; Y450-W457 HydrophobicContact CG-CD2 4.26Å; Y450-W457 AromaticContact CG-CE2 3.87Å; Y450-W457 HydrophobicContact CG-CH2 4.21Å; Y450-W457 AromaticContact CG-CZ2 3.83Å; Y450-W457 HydrophobicContact CG-CZ2 3.83Å
451D94.4Very high94.7Very high8 Ų845.5 Ų45.54%0.04325%0.248CC..EExtended strand (participates in β ladder)trans-102.8111.9172-172.7-25.2000109.5R378 Y379 C453 S454 D455 T456R378-D451 IonicContact CZ-OD1 2.69Å; R378-D451 IonicContact CZ-OD2 3.46Å; R378-D451 VanDerWaalsContact CZ-OD2 3.22Å; R378-D451 VanDerWaalsContact NE-CG 3.32Å; R378-D451 IonicContact NE-OD1 3.64Å; R378-D451 PolarHBondContact NE-OD1 3.21Å; R378-D451 IonicContact NE-OD2 3.79Å; R378-D451 PolarHBondContact NE-OD2 3.42Å; R378-D451 IonicContact NH2-OD1 3.68Å; R378-D451 IonicContact NH2-OD2 2.97Å; R378-D451 PolarHBondContact NH2-OD2 2.9Å; Y379-D451 HydrophobicContact CD1-CB 4.02Å; Y379-D451 HydrophobicContact CE1-CB 3.7Å; Y379-D451 VanDerWaalsContact CE1-CG 3.49Å; Y379-D451 VanDerWaalsContact CE1-OD2 3.3Å; Y379-D451 WeakPolarHBondContact CE1-OD2 3.33Å; D451-C453 PolarHBondContact O-N 3.39Å; D451-C453 WeakPolarHBondContact OD1-CB 3.42Å; D451-C453 PolarHBondContact OD1-N 3.31Å; D451-S454 VanDerWaalsContact CB-OG 3.31Å; D451-S454 WeakPolarHBondContact CB-OG 3.04Å; D451-S454 PolarHBondContact OD1-N 3.41Å; D451-S454 PolarHBondContact OD2-OG 2.78Å; D451-D455 WeakPolarHBondContact O-CA 3.38Å; D451-D455 PolarHBondContact O-N 3.16Å; D451-T456 PolarHBondContact N-O 2.96Å; D451-T456 PolarHBondContact O-N 3.23Å
452I89.7Confident95.1Very high41 Ų4145.5 Ų45.521%0.2125%0.245CC..THydrogen-bonded Turntrans-66.4-25.9-176.672.3179000112.8I328 F333 S377 R378 Y450I328-I452 HydrophobicContact CD1-CD1 4.28Å; I328-I452 HydrophobicContact CD1-CG2 4.23Å; I328-I452 HydrophobicContact CG1-CD1 4.4Å; I328-I452 HydrophobicContact CG2-CD1 4.44Å; I328-I452 HydrophobicContact CG2-CG2 3.99Å; F333-I452 HydrophobicContact CZ-CG2 4.07Å; S377-I452 WeakPolarHBondContact O-CD1 3.43Å; R378-I452 HydrophobicContact CG-CG1 4.47Å; R378-I452 WeakPolarHBondContact O-CG1 3.41Å; R378-I452 WeakPolarHBondContact O-CG2 3.21Å; R378-I452 PolarHBondContact O-N 3.47Å; R378-I452 VanDerWaalsContact O-N 3.09Å; Y450-I452 HydrophobicContact CD1-CG2 3.97Å; Y450-I452 HydrophobicContact CE1-CB 4.36Å; Y450-I452 HydrophobicContact CE1-CG2 3.81Å
453C85.1Confident95.1Very high97 Ų9743 Ų4366%0.65523%0.231SC*.THydrogen-bonded Turntrans-79.9-39.3-175.3-65.30000111.3D451D451-C453 PolarHBondContact O-N 3.39Å; D451-C453 WeakPolarHBondContact OD1-CB 3.42Å; D451-C453 PolarHBondContact OD1-N 3.31Å
454S93.2Very high94.8Very high61 Ų6147.5 Ų47.543%0.42726%0.258SS..THydrogen-bonded Turntrans-94.8-9.5177.956.60000113.9D451 T456D451-S454 VanDerWaalsContact CB-OG 3.31Å; D451-S454 WeakPolarHBondContact CB-OG 3.04Å; D451-S454 PolarHBondContact OD1-N 3.41Å; D451-S454 PolarHBondContact OD2-OG 2.78Å; S454-T456 PolarHBondContact OG-OG1 2.93Å
455D95.3Very high94.6Very high58 Ų5848.7 Ų48.731%0.3127%0.265SS..THydrogen-bonded Turntrans55.946.7-175.3-166.230.9000112.3K361 Y450 D451K361-D455 VanDerWaalsContact CB-O 3.27Å; K361-D455 WeakPolarHBondContact CB-O 3.18Å; K361-D455 VanDerWaalsContact CB-OD1 3.22Å; K361-D455 WeakPolarHBondContact CB-OD1 3.4Å; K361-D455 WeakPolarHBondContact CG-O 3.39Å; K361-D455 PolarHBondContact N-OD1 2.9Å; Y450-D455 WeakPolarHBondContact CE2-OD1 3.31Å; Y450-D455 VanDerWaalsContact CZ-OD1 3.3Å; Y450-D455 PolarHBondContact OH-OD1 2.83Å; D451-D455 WeakPolarHBondContact O-CA 3.38Å; D451-D455 PolarHBondContact O-N 3.16Å
456T97.6Very high94.5Very high62 Ų6243.9 Ų43.938%0.3825%0.245SC..EExtended strand (participates in β ladder)trans-131.5147.5-175.355.20000112.9Y450 D451 S454Y450-T456 WeakPolarHBondContact CA-O 3.31Å; D451-T456 PolarHBondContact N-O 2.96Å; D451-T456 PolarHBondContact O-N 3.23Å; S454-T456 PolarHBondContact OG-OG1 2.93Å
457W98.3Very high94.4Very high24 Ų2443.4 Ų43.49%0.09124%0.241CC..EExtended strand (participates in β ladder)trans-104144.9172.9-69.795000111.8I335 V347 K361 C362 M363 P364 V382 I448 R449 Y450I335-W457 HydrophobicContact CD1-CH2 4.33Å; I335-W457 HydrophobicContact CG2-CH2 4.29Å; V347-W457 HydrophobicContact CG2-CZ2 3.81Å; K361-W457 PolarHBondContact O-NE1 3.34Å; C362-W457 PolarHBondContact O-NE1 3.33Å; M363-W457 HydrophobicContact CG-CD2 4.39Å; M363-W457 HydrophobicContact CG-CH2 3.91Å; M363-W457 HydrophobicContact CG-CZ2 3.66Å; M363-W457 HydrophobicContact CG-CZ3 4.39Å; M363-W457 HydrophobicContact SD-CH2 4.46Å; P364-W457 HydrophobicContact CG-CB 3.73Å; P364-W457 HydrophobicContact CG-CG 4.38Å; V382-W457 HydrophobicContact CG2-CH2 3.75Å; V382-W457 HydrophobicContact CG2-CZ3 3.73Å; I448-W457 HydrophobicContact CB-CE3 4.15Å; I448-W457 HydrophobicContact CB-CZ3 4.47Å; I448-W457 HydrophobicContact CD1-CD2 4.48Å; I448-W457 HydrophobicContact CD1-CE3 3.68Å; I448-W457 HydrophobicContact CD1-CZ3 3.7Å; I448-W457 HydrophobicContact CG1-CE3 3.85Å; I448-W457 HydrophobicContact CG1-CZ3 3.75Å; R449-W457 CarbonylContact O-C 3.52Å; R449-W457 VanDerWaalsContact O-CA 3.32Å; R449-W457 WeakPolarHBondContact O-CA 3.33Å; Y450-W457 AromaticContact CD2-CD1 3.87Å; Y450-W457 AromaticContact CD2-CD2 3.87Å; Y450-W457 HydrophobicContact CD2-CD2 3.87Å; Y450-W457 AromaticContact CD2-CE2 3.46Å; Y450-W457 VanDerWaalsContact CD2-CE2 3.46Å; Y450-W457 HydrophobicContact CD2-CG 4.11Å; Y450-W457 AromaticContact CD2-CZ2 3.87Å; Y450-W457 HydrophobicContact CD2-CZ2 3.87Å; Y450-W457 AromaticContact CD2-NE1 3.45Å; Y450-W457 AromaticContact CE2-NE1 3.93Å; Y450-W457 HydrophobicContact CG-CD2 4.26Å; Y450-W457 AromaticContact CG-CE2 3.87Å; Y450-W457 HydrophobicContact CG-CH2 4.21Å; Y450-W457 AromaticContact CG-CZ2 3.83Å; Y450-W457 HydrophobicContact CG-CZ2 3.83Å
458L97.4Very high94.1Very high93 Ų9343.8 Ų43.849%0.48724%0.243SC..EExtended strand (participates in β ladder)trans-136.9143171.5-68.4173.8000110.3I448 R449 V460I448-L458 CarbonylContact C-O 3.58Å; I448-L458 VanDerWaalsContact CA-O 3.29Å; I448-L458 WeakPolarHBondContact CA-O 3.04Å; R449-L458 PolarHBondContact N-O 2.84Å; R449-L458 PolarHBondContact O-N 3.03Å; L458-V460 HydrophobicContact CB-CG1 4.31Å
459N97.2Very high93.8Very high91 Ų9144.6 Ų44.649%0.48725%0.247SC..EExtended strand (participates in β ladder)trans-75.4126.6163.4-176.3-14.9000108.3I447 I448 G461I447-N459 PolarHBondContact O-OD1 2.92Å; I448-N459 HydrophobicContact CG2-CB 4.44Å; N459-G461 PolarHBondContact OD1-N 2.86Å; N459-G461 VanDerWaalsContact OD1-N 3.16Å; N459-G461 PolarHBondContact OD1-O 3.01Å
460V97Very high93.7Very high12 Ų1243.4 Ų43.47%0.07324%0.243CC..EExtended strand (participates in β ladder)trans-120.9-4.3-172.2-68.60000113.5F381 I447 R449 L458 T573 V574F381-V460 HydrophobicContact CD1-CG2 3.92Å; F381-V460 HydrophobicContact CE1-CG2 3.83Å; I447-V460 HydrophobicContact CB-CG2 4.43Å; I447-V460 HydrophobicContact CG2-CG2 3.98Å; I447-V460 WeakPolarHBondContact O-CG2 3.47Å; I447-V460 PolarHBondContact O-N 2.99Å; R449-V460 HydrophobicContact CB-CB 4.38Å; R449-V460 HydrophobicContact CB-CG1 3.56Å; R449-V460 HydrophobicContact CB-CG2 3.91Å; L458-V460 HydrophobicContact CB-CG1 4.31Å; V460-T573 WeakPolarHBondContact O-CA 3.28Å; V460-V574 HydrophobicContact CG2-CG2 4.09Å; V460-V574 PolarHBondContact O-N 2.97Å
461G94.9Very high93.5Very high13 Ų1344.9 Ų44.913%0.13425%0.25CC..EExtended strand (participates in β ladder)trans172.5173.3-17900000112.3I447 N459 V574I447-G461 PolarHBondContact N-O 3.44Å; I447-G461 PolarHBondContact O-N 3.05Å; N459-G461 PolarHBondContact OD1-N 2.86Å; N459-G461 VanDerWaalsContact OD1-N 3.16Å; N459-G461 PolarHBondContact OD1-O 3.01Å; G461-V574 WeakPolarHBondContact CA-O 3.41Å
462E94.5Very high93.6Very high119 Ų11944.6 Ų44.656%0.55625%0.248SC*.EExtended strand (participates in β ladder)trans-135.3153.3175.5-65.4-177.1178.900110K445K445-E462 CarbonylContact O-C 3.56Å; K445-E462 VanDerWaalsContact O-CA 3.26Å; K445-E462 WeakPolarHBondContact O-CA 3.39Å
463T91.5Very high93.8Very high6 Ų643.1 Ų43.14%0.03724%0.241CC..  trans-103.7140171.2178.60000111.1K445 N465 P466 Y566K445-T463 WeakPolarHBondContact O-CG2 3.18Å; K445-T463 PolarHBondContact O-N 3.17Å; T463-N465 VanDerWaalsContact C-N 3.29Å; T463-N465 PolarHBondContact OG1-N 2.73Å; T463-P466 HydrophobicContact CG2-CB 4.01Å; T463-Y566 WeakPolarHBondContact CB-OH 3.34Å; T463-Y566 PolarHBondContact OG1-OH 2.81Å
464D87.4Confident94.2Very high138 Ų13840.2 Ų40.274%0.73822%0.219SC*.SBendtrans-76-21.3175.4-63.4-43000112.2
465N90.7Very high94Very high45 Ų4537.7 Ų37.724%0.24120%0.201CC..SBendtrans-130.774.2-176.5-168.519000110T463 R467 T553T463-N465 VanDerWaalsContact C-N 3.29Å; T463-N465 PolarHBondContact OG1-N 2.73Å; N465-R467 VanDerWaalsContact O-CG 3.29Å; N465-R467 WeakPolarHBondContact O-CG 3.47Å; N465-T553 WeakPolarHBondContact OD1-CB 3.34Å; N465-T553 WeakPolarHBondContact OD1-CG2 3.31Å
466P92.9Very high93.3Very high10 Ų1037.8 Ų37.87%0.06520%0.201CC..  trans-62.2138.4-173.229.1-37.6000111.5F443 E444 K445 T463F443-P466 HydrophobicContact CB-CB 3.9Å; F443-P466 HydrophobicContact CB-CG 3.73Å; F443-P466 WeakPolarHBondContact CD1-O 3.49Å; E444-P466 WeakPolarHBondContact O-CB 3.43Å; K445-P466 HydrophobicContact CG-CB 3.94Å; K445-P466 HydrophobicContact CG-CG 3.82Å; T463-P466 HydrophobicContact CG2-CB 4.01Å
467R94.1Very high91.5Very high2 Ų239.4 Ų39.41%0.00820%0.204CC..  trans-122.4153.3-175.9-47-166.2-177.6-173.8-2.2111.8G384 G385 N465 E548 G550 I552 T553 Q562G384-R467 WeakPolarHBondContact CA-O 3.38Å; G385-R467 PolarHBondContact N-O 2.81Å; N465-R467 VanDerWaalsContact O-CG 3.29Å; N465-R467 WeakPolarHBondContact O-CG 3.47Å; R467-E548 WeakPolarHBondContact CB-OE1 3.42Å; R467-E548 IonicContact NE-OE2 2.66Å; R467-G550 WeakPolarHBondContact CD-O 3.34Å; R467-G550 PolarHBondContact NH1-O 2.78Å; R467-I552 VanDerWaalsContact CA-O 3.3Å; R467-I552 WeakPolarHBondContact CA-O 3.29Å; R467-T553 HydrophobicContact CG-CG2 4.08Å; R467-Q562 VanDerWaalsContact CZ-O 3.27Å; R467-Q562 PolarHBondContact NH1-O 2.81Å; R467-Q562 PolarHBondContact NH2-O 2.9Å
468L91.9Very high89.2Confident8 Ų841.8 Ų41.84%0.04223%0.225CC..EExtended strand (participates in β ladder)trans-122.4151164.76690.2000109.5R369 V386 F443 S470 G551 I552R369-L468 HydrophobicContact CB-CB 4.21Å; V386-L468 HydrophobicContact CG1-CB 4.23Å; V386-L468 HydrophobicContact CG1-CD2 3.58Å; F443-L468 HydrophobicContact CD1-CD2 4.02Å; F443-L468 HydrophobicContact CE1-CD2 3.33Å; F443-L468 HydrophobicContact CE1-CG 3.84Å; F443-L468 HydrophobicContact CE2-CD2 4.07Å; F443-L468 HydrophobicContact CZ-CD2 3.37Å; F443-L468 HydrophobicContact CZ-CG 4.28Å; L468-S470 PolarHBondContact O-N 2.72Å; L468-S470 VanDerWaalsContact O-N 3.17Å; L468-G551 CarbonylContact O-C 3.51Å; L468-G551 WeakPolarHBondContact O-CA 3.16Å; L468-I552 HydrophobicContact CD1-CD1 3.57Å; L468-I552 HydrophobicContact CD1-CG1 3.39Å; L468-I552 HydrophobicContact CD2-CD1 3.99Å; L468-I552 HydrophobicContact CD2-CG1 3.89Å; L468-I552 HydrophobicContact CG-CD1 3.93Å; L468-I552 HydrophobicContact CG-CG1 3.41Å; L468-I552 VanDerWaalsContact CG-CG1 3.41Å; L468-I552 PolarHBondContact N-O 3.36Å; L468-I552 VanDerWaalsContact N-O 3.17Å; L468-I552 PolarHBondContact O-N 3.31Å
469E91.7Very high86.1Confident21 Ų2143.4 Ų43.410%0.09823%0.234CC..EExtended strand (participates in β ladder)trans58.721.5-177.3-58165.1-157.900113.3W322 R369 G551 R588 Y589W322-E469 HydrophobicContact CZ3-CG 3.96Å; R369-E469 HydrophobicContact CB-CG 4.13Å; R369-E469 WeakPolarHBondContact CD-OE1 3.48Å; R369-E469 HydrophobicContact CG-CG 4.36Å; R369-E469 IonicContact CZ-OE1 3.62Å; R369-E469 IonicContact NE-OE1 2.68Å; R369-E469 IonicContact NH1-OE1 3.22Å; R369-E469 PolarHBondContact NH1-OE1 2.96Å; R369-E469 PolarHBondContact O-N 3.34Å; E469-G551 WeakPolarHBondContact O-CA 3.23Å; E469-R588 VanDerWaalsContact CD-NH2 3.28Å; E469-R588 IonicContact OE1-NH2 3.71Å; E469-R588 PolarHBondContact OE1-NH2 3.37Å; E469-R588 IonicContact OE2-CZ 2.91Å; E469-R588 IonicContact OE2-NE 3.93Å; E469-R588 PolarHBondContact OE2-NE 2.93Å; E469-R588 IonicContact OE2-NH2 3.04Å; E469-R588 PolarHBondContact OE2-NH2 3.29Å; E469-Y589 WeakPolarHBondContact OE2-CE1 3.39Å
470S94.1Very high83Confident3 Ų345.9 Ų45.92%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-80161.617058.10000110.8F371 L468 E548F371-S470 WeakPolarHBondContact CD2-O 3.5Å; L468-S470 PolarHBondContact O-N 2.72Å; L468-S470 VanDerWaalsContact O-N 3.17Å; S470-E548 VanDerWaalsContact CB-OE1 3.28Å; S470-E548 WeakPolarHBondContact CB-OE1 2.83Å; S470-E548 PolarHBondContact OG-OE1 3.29Å
471H95.2Very high79.7Confident30 Ų3053 Ų5314%0.13928%0.28CS..EExtended strand (participates in β ladder)trans-116.1138.4175.4-120.9-96.7000109.2F371 E548 I549 V590 N591 C592F371-H471 HydrophobicContact CE2-CB 4.45Å; F371-H471 AromaticContact CE2-CD2 3.57Å; F371-H471 AromaticContact CE2-CE1 3.18Å; F371-H471 WeakPolarHBondContact CE2-CE1 3.21Å; F371-H471 AromaticContact CE2-CG 3.54Å; F371-H471 AromaticContact CE2-ND1 3.31Å; F371-H471 VanDerWaalsContact CE2-ND1 3.31Å; F371-H471 WeakPolarHBondContact CE2-ND1 3.42Å; F371-H471 AromaticContact CE2-NE2 3.34Å; F371-H471 VanDerWaalsContact CE2-NE2 3.34Å; F371-H471 WeakPolarHBondContact CE2-NE2 3.34Å; F371-H471 AromaticContact CZ-CE1 3.39Å; F371-H471 WeakPolarHBondContact CZ-CE1 3.41Å; F371-H471 AromaticContact CZ-CG 3.99Å; F371-H471 AromaticContact CZ-ND1 3.34Å; F371-H471 VanDerWaalsContact CZ-ND1 3.34Å; F371-H471 WeakPolarHBondContact CZ-ND1 3.46Å; H471-E548 CarbonylContact O-C 3.54Å; H471-E548 WeakPolarHBondContact O-CA 3.32Å; H471-I549 PolarHBondContact N-O 3.29Å; H471-I549 PolarHBondContact O-N 2.98Å; H471-V590 HydrophobicContact CB-CG2 4.41Å; H471-V590 PolarHBondContact CD2-O 2.8Å; H471-N591 PolarHBondContact CE1-OD1 3.12Å; H471-N591 PolarHBondContact NE2-OD1 3.28Å; H471-C592 PolarHBondContact ND1-N 3.17Å; H471-C592 PolarHBondContact ND1-O 3.16Å
472V95.6Very high76.6Confident2 Ų256.5 Ų56.51%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-124.9126.1-178.6-174.30000110.5F371 V373 F383 F546 V547 E548F371-V472 HydrophobicContact CB-CB 4.48Å; F371-V472 HydrophobicContact CB-CG2 4.08Å; F371-V472 HydrophobicContact CD1-CB 3.72Å; F371-V472 HydrophobicContact CD1-CG2 4.24Å; F371-V472 VanDerWaalsContact CD1-N 3.3Å; F371-V472 WeakPolarHBondContact CD1-O 3.14Å; F371-V472 HydrophobicContact CE1-CB 4.42Å; F371-V472 WeakPolarHBondContact CE1-O 3.23Å; F371-V472 HydrophobicContact CG-CB 4.36Å; F371-V472 HydrophobicContact CG-CG2 4.42Å; V373-V472 HydrophobicContact CG1-CG1 4.29Å; F383-V472 HydrophobicContact CB-CG2 3.99Å; F383-V472 HydrophobicContact CD2-CG1 4.2Å; F383-V472 HydrophobicContact CD2-CG2 4.31Å; F383-V472 HydrophobicContact CE2-CG1 4.17Å; F383-V472 HydrophobicContact CG-CG2 4.05Å; F383-V472 HydrophobicContact CZ-CG1 4.46Å; V472-F546 HydrophobicContact CG1-CB 3.88Å; V472-F546 HydrophobicContact CG1-CD1 4.09Å; V472-F546 HydrophobicContact CG1-CG 4.39Å; V472-V547 VanDerWaalsContact CA-O 3.31Å; V472-V547 WeakPolarHBondContact CA-O 3.46Å; V472-E548 HydrophobicContact CG2-CB 4.04Å; V472-E548 HydrophobicContact CG2-CG 3.93Å
473V94.9Very high73.5Confident10 Ų1055.3 Ų55.36%0.06131%0.313CS..EExtended strand (participates in β ladder)trans-116.9152.8173.2-65.30000110.9F546 V547 C592 A594 V601V473-F546 CarbonylContact O-C 3.59Å; V473-F546 VanDerWaalsContact O-CA 3.31Å; V473-F546 WeakPolarHBondContact O-CA 3.4Å; V473-V547 HydrophobicContact CG2-CB 3.85Å; V473-V547 HydrophobicContact CG2-CG2 4.36Å; V473-V547 PolarHBondContact N-O 2.91Å; V473-V547 PolarHBondContact O-N 2.99Å; V473-C592 VanDerWaalsContact CG1-SG 3.53Å; V473-A594 HydrophobicContact CB-CB 4.1Å; V473-A594 HydrophobicContact CG2-CB 4.46Å; V473-V601 HydrophobicContact CG2-CG1 3.99Å; V473-V601 HydrophobicContact CG2-CG2 3.95Å
474L92.4Very high70.4Confident36 Ų3663.8 Ų63.819%0.18835%0.349CS..EExtended strand (participates in β ladder)trans-104.4133.9175.8-17873.5000109.7V373 V375 R544 F546V373-L474 HydrophobicContact CG2-CB 4.09Å; V375-L474 HydrophobicContact CB-CD2 4.3Å; V375-L474 HydrophobicContact CG1-CD2 4.17Å; V375-L474 HydrophobicContact CG2-CD1 4.41Å; V375-L474 HydrophobicContact CG2-CD2 3.92Å; L474-R544 HydrophobicContact CD1-CB 4.02Å; L474-F546 HydrophobicContact CB-CD1 4.39Å; L474-F546 HydrophobicContact CD1-CD1 3.74Å; L474-F546 HydrophobicContact CD1-CE1 3.63Å; L474-F546 HydrophobicContact CD1-CG 4.28Å; L474-F546 HydrophobicContact CD1-CZ 4.1Å
475I89.8Confident67.4Low9 Ų964.7 Ų64.75%0.04635%0.354CS..EExtended strand (participates in β ladder)trans-127.1141.3178-61.2171.3000109R544 V545 V547 A594 N599 V601 L616I475-R544 WeakPolarHBondContact O-CA 3.12Å; I475-V545 PolarHBondContact N-O 2.72Å; I475-V545 PolarHBondContact O-N 3.07Å; I475-V547 HydrophobicContact CD1-CG2 3.49Å; I475-V547 VanDerWaalsContact CD1-CG2 3.49Å; I475-V547 HydrophobicContact CG1-CG2 4.26Å; I475-A594 HydrophobicContact CG1-CB 4.4Å; I475-N599 HydrophobicContact CG2-CB 3.66Å; I475-N599 WeakPolarHBondContact CG2-OD1 3.36Å; I475-V601 HydrophobicContact CD1-CG2 3.32Å; I475-V601 HydrophobicContact CG1-CG2 4.21Å; I475-L616 HydrophobicContact CD1-CD1 3.27Å; I475-L616 HydrophobicContact CD1-CG 4.15Å
476N79.6Confident64.4Low59 Ų5971 Ų7132%0.31639%0.387SS..EExtended strand (participates in β ladder)trans-95116.4173.5-62.3-54.1000108.6S478 R544 N599N476-S478 PolarHBondContact O-N 2.92Å; N476-S478 VanDerWaalsContact O-N 3.13Å; N476-R544 WeakPolarHBondContact OD1-CD 3.39Å; N476-R544 WeakPolarHBondContact OD1-CG 3.42Å; N476-R544 PolarHBondContact OD1-NE 3.33Å; N476-N599 PolarHBondContact N-OD1 3.14Å; N476-N599 VanDerWaalsContact O-CG 3.27Å; N476-N599 PolarHBondContact O-ND2 2.76Å; N476-N599 PolarHBondContact O-OD1 3.13Å
477E60.8Low61.2Low97 Ų9779.5 Ų79.545%0.45343%0.426SS..EExtended strand (participates in β ladder)trans-72109.7169.1-66.5-172.8169.100109.1E543 V545E477-E543 VanDerWaalsContact CB-O 3.29Å; E477-E543 WeakPolarHBondContact CB-O 3.23Å; E477-E543 PolarHBondContact N-O 3.22Å; E477-V545 HydrophobicContact CG-CG2 4.02Å
478S49.3Very low58.1Low74 Ų7485.4 Ų85.452%0.51747%0.467SS..  trans-82.2117.5171.445.60000109.9N476 E480N476-S478 PolarHBondContact O-N 2.92Å; N476-S478 VanDerWaalsContact O-N 3.13Å; S478-E480 PolarHBondContact O-N 3.34Å; S478-E480 VanDerWaalsContact O-N 3.15Å
479N32.7Very low55.3Low127 Ų12790 Ų9068%0.67950%0.501SS*.  trans-70.5101.6160.6-105.7-31.2000107.8N481N479-N481 PolarHBondContact O-N 2.86Å
480E31.7Very low52.5Low143 Ų14397.1 Ų97.167%0.66854%0.539SS*.THydrogen-bonded Turntrans-64.218.1175.4-79.8-163.3155.600114.9S478S478-E480 PolarHBondContact O-N 3.34Å; S478-E480 VanDerWaalsContact O-N 3.15Å
481N28.5Very low49.5Very low160 Ų160100.3 Ų100.386%0.85657%0.573SS**THydrogen-bonded Turntrans-949.1171.4-74.8-28.2000113.9N479N479-N481 PolarHBondContact O-N 2.86Å
482A29.4Very low46.5Very low88 Ų88106.1 Ų106.173%0.72760%0.603SS**SBendtrans-112.7-0.6-177.600000115.8
483S28.9Very low43.5Very low94 Ų94113.2 Ų113.266%0.65764%0.636SS**SBendtrans-136.551.4-178.457.50000113.1
484F26.2Very low40.5Very low184 Ų184120.8 Ų120.881%0.80767%0.67SS**SBendtrans-131.874.7154.4-85-82.3000106.9
485N24.8Very low37.5Very low157 Ų157125 Ų12584%0.8470%0.698SS**SBendtrans173.574.4162.3-89-25.5000109
486L27.5Very low34.7Very low177 Ų177133 Ų13393%0.92774%0.741SS**  trans-169.762.6159.6-102.8147000108.8
487Q27Very low32.5Very low189 Ų189134.6 Ų134.688%0.88376%0.757SS**  trans-143141.5157.3-87-171.4-11.600109.2
488S28.4Very low31.2Very low125 Ų125137.6 Ų137.687%0.87477%0.771SS**  trans80.188.1170.671.20000117.7
489S33Very low30.5Very low106 Ų106141.4 Ų141.474%0.74178%0.78SS**  trans-130.9108.5134.264.40000108.6
490D31.9Very low30.6Very low169 Ų169141.9 Ų141.990%0.90478%0.783SS**  trans60115.8149-55.7-29.1000120.7
491G31.6Very low30.7Very low71 Ų71139.7 Ų139.773%0.73278%0.784SS**  trans170.25516700000117.2
492I32.4Very low31Very low151 Ų151139.2 Ų139.277%0.77478%0.78SS**  trans49.4115134.4-64.6175.5000119.5
493H32.6Very low31.1Very low151 Ų151145.6 Ų145.670%0.69979%0.785SS**  trans64.9140.8148.4-72.1-108.7000118.7
494E31.8Very low31.5Very low169 Ų169145.5 Ų145.579%0.7979%0.785SS**  cis-163.4133.40.2-128.1164.9-157.200105.2
495T28.9Very low31.9Very low126 Ų126143.5 Ų143.577%0.77378%0.782SS**  trans-100.5138.4167.944.50000108.4
496D31.2Very low32.5Very low176 Ų176143.2 Ų143.294%0.94178%0.78SS**  trans-130.5121.6151.7-97.9-22.7000110.4
497S33.3Very low33Very low93 Ų93139.2 Ų139.265%0.6577%0.767SS**  trans-114.1144.5178.947.90000109.2
498E34.2Very low33.4Very low160 Ų160137.1 Ų137.175%0.74876%0.762SS**  trans75119.3149-69.8-171.4157.900121.1
499Q35.5Very low33.8Very low153 Ų153137.6 Ų137.672%0.71576%0.755SS**  70.2118.7125.6-65.1-173.16.900120.8
500N34.1Very low34Very low138 Ų138138.2 Ų138.274%0.73875%0.754SS**  trans69.6106.2132.2-73.2-21.2000119.9
501S33.2Very low34.2Very low97 Ų97135.4 Ų135.468%0.67875%0.748SS**  76.9116.4124.569.60000119.7
502L34.7Very low34.5Very low149 Ų149138 Ų13878%0.7875%0.749SS**  trans77.1103137.1-66.3161.5000119.2
503R32.6Very low34.8Very low223 Ų223135.7 Ų135.784%0.84275%0.746SS**  76.1115.9128.1-80.1-175172.5-176.7-2.3120.5
504S36.2Very low35Very low92 Ų92136.4 Ų136.464%0.64375%0.75SS**  79.9116.3125.466.10000120.4
505D35.2Very low35.3Very low142 Ų142134 Ų13476%0.75974%0.743SS**  trans102.4106.4130.1-63.6-11.5000120.8
506L37.1Very low35.8Very low151 Ų151134.2 Ų134.279%0.79174%0.739SS**  84110.1124.9-66.3166.1000122.2
507S37.5Very low36.1Very low93 Ų93131.3 Ų131.365%0.6573%0.727SS**  75.7115.912369.20000123.4
508D36.3Very low36.2Very low145 Ų145132.5 Ų132.578%0.77573%0.731SS**  82129.3120.2-70.2-8.9000124.4
509N37.5Very low36.4Very low135 Ų135131.3 Ų131.372%0.72273%0.73SS**  trans107.497.2136.5-72.8-28.7000122.6
510T35.6Very low36.5Very low118 Ų118129.9 Ų129.972%0.72473%0.727SS**  60.5134.5113.950.60000125
511S37.2Very low36.6Very low111 Ų111130 Ų13078%0.77673%0.728SS**  trans93.8149.8140.8790000120
512V37.4Very low36.9Very low125 Ų125130.5 Ų130.576%0.75873%0.731SS**  cis179.6153.1-15.2142.50000106.9
513S38.5Very low37.1Very low103 Ų103131.4 Ų131.472%0.7274%0.737SS**  trans72.7157.6155.169.20000121.2
514E36.3Very low37.3Very low165 Ų165124 Ų12477%0.77173%0.73SS**  cis-177.9164.2-23.2-100.9-173.8168.800106.8
515N39Very low37.3Very low120 Ų120126.2 Ų126.264%0.64274%0.74SS**  trans99.9111.6146.7-67.6-35.1000124.1
516N38.2Very low37.2Very low130 Ų130126.9 Ų126.970%0.69574%0.743SS**  91.5122.1114.1-73.3-19.2000125.5
517T37.6Very low37.2Very low114 Ų114129 Ų12970%0.69975%0.749SS**  82.4112.2126.251.80000125.3
518T35.5Very low36.9Very low118 Ų118130.3 Ų130.372%0.72475%0.753SS**  44.1131.9121.955.50000124.5
519N38.9Very low36.8Very low135 Ų135130.5 Ų130.572%0.72275%0.754SS**  147.6131.4109.8-98.5-15.3000118.1
520N38.1Very low36.4Very low123 Ų123133.6 Ų133.666%0.65876%0.761SS**  trans69.5121.6131.3-68.3-21.1000126.9
521N36.8Very low36.3Very low141 Ų141135 Ų13575%0.75477%0.77SS**  55.5127.5125.1-66.1-17.6000123.6
522S39.3Very low36.1Very low107 Ų107141.9 Ų141.975%0.74878%0.779SS**  157.8135.699.254.20000116.8
523N37.6Very low35.9Very low169 Ų169147.6 Ų147.690%0.90479%0.787SS**  trans53.9133.8140.3-64.4-16.3000125.1
524G36.5Very low35.3Very low67 Ų67153.6 Ų153.669%0.69179%0.794SS**  trans148.898.8134.200000120.8
525T36.7Very low34.9Very low138 Ų138153.7 Ų153.785%0.84780%0.8SS**  trans75.1104.7138.650.70000124.5
526N32.5Very low34.3Very low156 Ų156156 Ų15683%0.83481%0.812SS**  31.4124.5125.8-70.4-14.6000122.7
527Q37.3Very low33.9Very low196 Ų196154.2 Ų154.292%0.91681%0.81SS**  -167.6151.7110.8-103.4177.227.500112.8
528T32.3Very low33.4Very low120 Ų120157.8 Ų157.874%0.73682%0.821SS**  trans-84.1142.8-158.948.30000115.4
529N33.2Very low33.1Very low149 Ų149158.5 Ų158.580%0.79782%0.82SS**  -170123126.6-96.9-27.8000114.7
530K30.4Very low32.7Very low201 Ų201157 Ų15787%0.87482%0.816SS**  trans-1.7115.4163.2-66169.9177.1172.70118.6
531T33.1Very low32.6Very low148 Ų148155.9 Ų155.991%0.90881%0.81SS**  trans-139.3134.2149.323.20000111
532R33.1Very low33Very low254 Ų254155.3 Ų155.396%0.95880%0.801SS**  trans-75.3149.1-173-113.3172.3158.2178.1-7.6111.3
533R32.4Very low34.5Very low245 Ų245154 Ų15493%0.92578%0.782SS**  trans-43.2137.9-179.7-76.3171162.6173.6-6.4116.9
534R26.8Very low36.8Very low229 Ų229149.4 Ų149.486%0.86475%0.753SS**  trans-18.9129.8153.5-76.9173.5166.5167-4.7116.7
535N28.4Very low39.4Very low168 Ų168146.5 Ų146.590%0.89872%0.721SS**  trans-132.4114.9135-99-7.8000107.2
536N26.6Very low42.2Very low167 Ų167139.9 Ų139.989%0.89368%0.681SS**  trans-77.2115.8167.7-98.12.6000107.9
537S29.1Very low45.1Very low93 Ų93132.5 Ų132.565%0.6564%0.641SS**  trans-136.2108.9160.4173.80000106.3N539S537-N539 PolarHBondContact O-N 3.01Å
538M27.3Very low47.9Very low189 Ų189123.2 Ų123.293%0.93160%0.598SS**  trans-67.2109.6168.8-74.9-178.6171.800107.9
539N28Very low50.9Low134 Ų134117.5 Ų117.572%0.71756%0.563SS**  trans-124.7102.2165-105.5-2.8000107.7S537 N541S537-N539 PolarHBondContact O-N 3.01Å; N539-N541 PolarHBondContact O-N 2.86Å
540V31Very low53.7Low103 Ų103110.4 Ų110.462%0.62453%0.525SS*.  trans-78.199.7166.8-176.30000106.3F542V540-F542 HydrophobicContact CB-CE2 4.11Å; V540-F542 HydrophobicContact CG1-CD2 3.94Å; V540-F542 HydrophobicContact CG1-CE1 4.3Å; V540-F542 HydrophobicContact CG1-CE2 3.41Å; V540-F542 VanDerWaalsContact CG1-CE2 3.41Å; V540-F542 HydrophobicContact CG1-CZ 3.62Å; V540-F542 PolarHBondContact O-N 3.38Å
541N36.6Very low56.7Low100 Ų100100.9 Ų100.954%0.53548%0.484SS..  trans-77.9101.6173.7-100.12.5000108.8N539N539-N541 PolarHBondContact O-N 2.86Å
542F45.8Very low59.6Low129 Ų12994.6 Ų94.657%0.56644%0.444SS*.  trans-82.6108.3159.8-63.7-82.4000107.3V540 R544V540-F542 HydrophobicContact CB-CE2 4.11Å; V540-F542 HydrophobicContact CG1-CD2 3.94Å; V540-F542 HydrophobicContact CG1-CE1 4.3Å; V540-F542 HydrophobicContact CG1-CE2 3.41Å; V540-F542 VanDerWaalsContact CG1-CE2 3.41Å; V540-F542 HydrophobicContact CG1-CZ 3.62Å; V540-F542 PolarHBondContact O-N 3.38Å; F542-R544 PolarHBondContact O-N 3.2Å
543E69.9Low62.4Low78 Ų7882.6 Ų82.636%0.36440%0.399SS..EExtended strand (participates in β ladder)trans-74.8114.4169-75-165.3-171.900107.8E477 R567E477-E543 VanDerWaalsContact CB-O 3.29Å; E477-E543 WeakPolarHBondContact CB-O 3.23Å; E477-E543 PolarHBondContact N-O 3.22Å; E543-R567 IonicContact OE2-CZ 3.61Å; E543-R567 IonicContact OE2-NE 2.99Å; E543-R567 IonicContact OE2-NH1 3.42Å; E543-R567 PolarHBondContact OE2-NH1 3.01Å
544R86Confident65.1Low73 Ų7377.6 Ų77.628%0.27539%0.386SS..EExtended strand (participates in β ladder)trans-92.6136.6174.2-65.5-173174.8157.74.5109.2L474 I475 N476 F542 L568L474-R544 HydrophobicContact CD1-CB 4.02Å; I475-R544 WeakPolarHBondContact O-CA 3.12Å; N476-R544 WeakPolarHBondContact OD1-CD 3.39Å; N476-R544 WeakPolarHBondContact OD1-CG 3.42Å; N476-R544 PolarHBondContact OD1-NE 3.33Å; F542-R544 PolarHBondContact O-N 3.2Å; R544-L568 HydrophobicContact CB-CB 4.16Å; R544-L568 HydrophobicContact CB-CD2 4.15Å; R544-L568 WeakPolarHBondContact O-CB 3.48Å; R544-L568 PolarHBondContact O-N 3.24Å
545V91.4Very high68.2Low6 Ų671.1 Ų71.14%0.03638%0.376CS..EExtended strand (participates in β ladder)trans-124.7128.7-175.9-175.20000109.4I475 E477 F565 Y566 R567I475-V545 PolarHBondContact N-O 2.72Å; I475-V545 PolarHBondContact O-N 3.07Å; E477-V545 HydrophobicContact CG-CG2 4.02Å; V545-F565 HydrophobicContact CG1-CB 3.97Å; V545-F565 HydrophobicContact CG1-CD1 3.9Å; V545-F565 HydrophobicContact CG1-CG 4.4Å; V545-Y566 WeakPolarHBondContact CA-O 3.46Å; V545-R567 HydrophobicContact CG2-CG 4.34Å
546F94.3Very high71.1Confident0 Ų064.9 Ų64.90%034%0.342CS..EExtended strand (participates in β ladder)trans-85135.4165.5-58.7-80000109.4V373 V375 F381 F383 V472 V473 L474 F565 Y566 L568 V574V373-F546 HydrophobicContact CG1-CD1 3.75Å; V373-F546 HydrophobicContact CG1-CE1 3.47Å; V373-F546 VanDerWaalsContact CG1-CE1 3.47Å; V375-F546 HydrophobicContact CG2-CE1 3.69Å; V375-F546 HydrophobicContact CG2-CZ 3.66Å; F381-F546 HydrophobicContact CB-CE1 4.46Å; F381-F546 HydrophobicContact CB-CZ 4.29Å; F381-F546 HydrophobicContact CD1-CE2 4.44Å; F381-F546 HydrophobicContact CD1-CZ 4.03Å; F381-F546 HydrophobicContact CD2-CZ 4.02Å; F381-F546 HydrophobicContact CE1-CZ 4.33Å; F381-F546 HydrophobicContact CE2-CZ 4.33Å; F381-F546 HydrophobicContact CG-CE1 4.44Å; F381-F546 AromaticContact CG-CZ 3.86Å; F381-F546 HydrophobicContact CG-CZ 3.86Å; F381-F546 HydrophobicContact CZ-CZ 4.47Å; F383-F546 HydrophobicContact CE2-CD1 4.03Å; F383-F546 HydrophobicContact CE2-CE1 4.12Å; F383-F546 HydrophobicContact CE2-CG 4.21Å; F383-F546 HydrophobicContact CE2-CZ 4.38Å; F383-F546 HydrophobicContact CZ-CB 4.07Å; F383-F546 AromaticContact CZ-CD1 3.95Å; F383-F546 HydrophobicContact CZ-CD1 3.95Å; F383-F546 AromaticContact CZ-CD2 3.71Å; F383-F546 HydrophobicContact CZ-CD2 3.71Å; F383-F546 HydrophobicContact CZ-CE1 4.25Å; F383-F546 HydrophobicContact CZ-CE2 4.01Å; F383-F546 AromaticContact CZ-CG 3.65Å; F383-F546 HydrophobicContact CZ-CG 3.65Å; F383-F546 HydrophobicContact CZ-CZ 4.26Å; V472-F546 HydrophobicContact CG1-CB 3.88Å; V472-F546 HydrophobicContact CG1-CD1 4.09Å; V472-F546 HydrophobicContact CG1-CG 4.39Å; V473-F546 CarbonylContact O-C 3.59Å; V473-F546 VanDerWaalsContact O-CA 3.31Å; V473-F546 WeakPolarHBondContact O-CA 3.4Å; L474-F546 HydrophobicContact CB-CD1 4.39Å; L474-F546 HydrophobicContact CD1-CD1 3.74Å; L474-F546 HydrophobicContact CD1-CE1 3.63Å; L474-F546 HydrophobicContact CD1-CG 4.28Å; L474-F546 HydrophobicContact CD1-CZ 4.1Å; F546-F565 WeakPolarHBondContact O-CA 3.41Å; F546-Y566 HydrophobicContact CB-CD2 4.34Å; F546-Y566 PolarHBondContact N-O 2.87Å; F546-Y566 PolarHBondContact O-N 3.32Å; F546-L568 HydrophobicContact CE2-CB 3.95Å; F546-L568 HydrophobicContact CE2-CD1 3.98Å; F546-L568 HydrophobicContact CE2-CG 4.38Å; F546-L568 HydrophobicContact CZ-CD1 4.35Å; F546-V574 HydrophobicContact CD2-CG1 4.29Å; F546-V574 HydrophobicContact CE2-CG1 4.43Å; F546-V574 HydrophobicContact CE2-CG2 3.87Å
547V94.1Very high74Confident0 Ų060.2 Ų60.20%032%0.32CS..EExtended strand (participates in β ladder)trans-116.9116.9178.3-171.80000108.1V472 V473 I475 I549 V563 F565 L616V472-V547 VanDerWaalsContact CA-O 3.31Å; V472-V547 WeakPolarHBondContact CA-O 3.46Å; V473-V547 HydrophobicContact CG2-CB 3.85Å; V473-V547 HydrophobicContact CG2-CG2 4.36Å; V473-V547 PolarHBondContact N-O 2.91Å; V473-V547 PolarHBondContact O-N 2.99Å; I475-V547 HydrophobicContact CD1-CG2 3.49Å; I475-V547 VanDerWaalsContact CD1-CG2 3.49Å; I475-V547 HydrophobicContact CG1-CG2 4.26Å; V547-I549 HydrophobicContact CG1-CD1 4.11Å; V547-I549 HydrophobicContact CG1-CG1 3.95Å; V547-V563 HydrophobicContact CG1-CG1 3.33Å; V547-F565 HydrophobicContact CB-CD1 4.46Å; V547-F565 HydrophobicContact CB-CE1 4.47Å; V547-F565 HydrophobicContact CG1-CD1 4.27Å; V547-F565 HydrophobicContact CG1-CE1 3.9Å; V547-F565 HydrophobicContact CG2-CD1 3.93Å; V547-F565 HydrophobicContact CG2-CE1 3.95Å; V547-L616 HydrophobicContact CG2-CD1 3.82Å
548E95.6Very high76.7Confident2 Ų262.6 Ų62.61%0.00932%0.321CS..EExtended strand (participates in β ladder)trans-104.5121.2179.1-176.9175.8-156.600110.6R467 S470 H471 V472 V563 A564 Y566R467-E548 WeakPolarHBondContact CB-OE1 3.42Å; R467-E548 IonicContact NE-OE2 2.66Å; S470-E548 VanDerWaalsContact CB-OE1 3.28Å; S470-E548 WeakPolarHBondContact CB-OE1 2.83Å; S470-E548 PolarHBondContact OG-OE1 3.29Å; H471-E548 CarbonylContact O-C 3.54Å; H471-E548 WeakPolarHBondContact O-CA 3.32Å; V472-E548 HydrophobicContact CG2-CB 4.04Å; V472-E548 HydrophobicContact CG2-CG 3.93Å; E548-V563 WeakPolarHBondContact O-CA 3.49Å; E548-A564 HydrophobicContact CB-CB 4.4Å; E548-A564 PolarHBondContact N-O 2.92Å; E548-A564 PolarHBondContact O-N 2.85Å; E548-Y566 HydrophobicContact CB-CE2 3.79Å; E548-Y566 VanDerWaalsContact OE2-CE2 3.23Å; E548-Y566 WeakPolarHBondContact OE2-CE2 3.33Å; E548-Y566 VanDerWaalsContact OE2-CZ 3.3Å; E548-Y566 PolarHBondContact OE2-OH 3.06Å
549I94.9Very high79.7Confident0 Ų053.6 Ų53.60%028%0.277CS..EExtended strand (participates in β ladder)trans-123.6138.6-173.7-49.7179.9000109.3H471 V547 V563 L583 V590 C592 V601 I603 L614H471-I549 PolarHBondContact N-O 3.29Å; H471-I549 PolarHBondContact O-N 2.98Å; V547-I549 HydrophobicContact CG1-CD1 4.11Å; V547-I549 HydrophobicContact CG1-CG1 3.95Å; I549-V563 HydrophobicContact CG1-CG1 3.94Å; I549-V563 HydrophobicContact CG1-CG2 4.2Å; I549-V563 HydrophobicContact CG2-CG2 4.27Å; I549-L583 HydrophobicContact CG2-CD1 4.26Å; I549-V590 HydrophobicContact CB-CG2 4.35Å; I549-V590 HydrophobicContact CG2-CG2 4.02Å; I549-C592 HydrophobicContact CD1-CB 4.49Å; I549-V601 HydrophobicContact CD1-CG1 3.92Å; I549-I603 HydrophobicContact CD1-CD1 3.87Å; I549-I603 HydrophobicContact CD1-CG1 4.09Å; I549-L614 HydrophobicContact CD1-CD2 4.46Å
550G93.5Very high82.8Confident0 Ų047.2 Ų47.20%024%0.243CC..EExtended strand (participates in β ladder)trans70-155175.500000113.9R467 T560 V587R467-G550 WeakPolarHBondContact CD-O 3.34Å; R467-G550 PolarHBondContact NH1-O 2.78Å; G550-T560 WeakPolarHBondContact O-CG2 3.35Å; G550-V587 WeakPolarHBondContact CA-O 3.36Å
551G92.9Very high85.7Confident0 Ų043.4 Ų43.40%022%0.219CC..EExtended strand (participates in β ladder)trans79.7-173.3-171.800000113.5L468 E469 G559 T560 R588L468-G551 CarbonylContact O-C 3.51Å; L468-G551 WeakPolarHBondContact O-CA 3.16Å; E469-G551 WeakPolarHBondContact O-CA 3.23Å; G551-G559 WeakPolarHBondContact O-CA 3.27Å; G551-T560 PolarHBondContact O-N 2.94Å; G551-R588 PolarHBondContact N-O 2.78Å
552I93.6Very high88.3Confident17 Ų1741.2 Ų41.29%0.08721%0.205CC..EExtended strand (participates in β ladder)trans-123.6157.617469.9176.6000110.5F443 R467 L468 Q556 P557 R588F443-I552 HydrophobicContact CE1-CG1 4.23Å; F443-I552 WeakPolarHBondContact CE1-O 3.48Å; F443-I552 HydrophobicContact CZ-CG1 4.36Å; R467-I552 VanDerWaalsContact CA-O 3.3Å; R467-I552 WeakPolarHBondContact CA-O 3.29Å; L468-I552 HydrophobicContact CD1-CD1 3.57Å; L468-I552 HydrophobicContact CD1-CG1 3.39Å; L468-I552 HydrophobicContact CD2-CD1 3.99Å; L468-I552 HydrophobicContact CD2-CG1 3.89Å; L468-I552 HydrophobicContact CG-CD1 3.93Å; L468-I552 HydrophobicContact CG-CG1 3.41Å; L468-I552 VanDerWaalsContact CG-CG1 3.41Å; L468-I552 PolarHBondContact N-O 3.36Å; L468-I552 VanDerWaalsContact N-O 3.17Å; L468-I552 PolarHBondContact O-N 3.31Å; I552-Q556 WeakPolarHBondContact CB-O 3.28Å; I552-P557 WeakPolarHBondContact CG2-O 3.21Å; I552-R588 HydrophobicContact CG2-CB 4.09Å; I552-R588 VanDerWaalsContact CG2-CD 3.49Å; I552-R588 HydrophobicContact CG2-CG 3.6Å
553T92.7Very high90.5Very high1 Ų135 Ų351%0.00618%0.178CC..  trans-123.4168.8174.368.80000108.8N465 R467 S555 Q556N465-T553 WeakPolarHBondContact OD1-CB 3.34Å; N465-T553 WeakPolarHBondContact OD1-CG2 3.31Å; R467-T553 HydrophobicContact CG-CG2 4.08Å; T553-S555 PolarHBondContact O-N 2.94Å; T553-S555 PolarHBondContact OG1-N 2.81Å; T553-S555 PolarHBondContact OG1-OG 3.02Å; T553-Q556 PolarHBondContact N-O 2.86Å; T553-Q556 CarbonylContact O-C 3.55Å; T553-Q556 VanDerWaalsContact O-C 3.31Å; T553-Q556 PolarHBondContact O-N 3.01Å; T553-Q556 WeakPolarHBondContact OG1-CB 3.24Å; T553-Q556 PolarHBondContact OG1-N 2.97Å
554E89Confident91.6Very high140 Ų14032 Ų3265%0.65417%0.166SC*.SBendtrans-57.8-35.6174.2-68.9-176.817600112.5F443F443-E554 HydrophobicContact CB-CG 4.36Å; F443-E554 HydrophobicContact CD1-CG 4.36Å; F443-E554 HydrophobicContact CD2-CG 3.39Å; F443-E554 HydrophobicContact CE2-CG 3.62Å; F443-E554 HydrophobicContact CG-CG 3.8Å; F443-E554 HydrophobicContact CZ-CG 4.18Å
555S90.6Very high91.9Very high94 Ų9429.7 Ų29.766%0.65716%0.158SC*.SBendtrans-84.4-21.3179.861.80000113.8T553T553-S555 PolarHBondContact O-N 2.94Å; T553-S555 PolarHBondContact OG1-N 2.81Å; T553-S555 PolarHBondContact OG1-OG 3.02Å
556Q89.9Confident92.1Very high36 Ų3629.5 Ų29.517%0.16816%0.157CC..  trans-12973.8-177.5-58.9-177.2-60.700111.1I552 T553 H558 G559 T560I552-Q556 WeakPolarHBondContact CB-O 3.28Å; T553-Q556 PolarHBondContact N-O 2.86Å; T553-Q556 CarbonylContact O-C 3.55Å; T553-Q556 VanDerWaalsContact O-C 3.31Å; T553-Q556 PolarHBondContact O-N 3.01Å; T553-Q556 WeakPolarHBondContact OG1-CB 3.24Å; T553-Q556 PolarHBondContact OG1-N 2.97Å; Q556-H558 PolarHBondContact O-N 2.97Å; Q556-H558 VanDerWaalsContact O-N 3.16Å; Q556-G559 WeakPolarHBondContact CB-O 3.17Å; Q556-G559 PolarHBondContact O-N 3.04Å; Q556-T560 PolarHBondContact OE1-OG1 3.41Å
557P87.1Confident92Very high69 Ų6933.4 Ų33.445%0.44817%0.172SC..THydrogen-bonded Turntrans-69.7-12.9-174.328-36.1000114.4I552I552-P557 WeakPolarHBondContact CG2-O 3.21Å
558H86.5Confident91.9Very high144 Ų14434.2 Ų34.267%0.66718%0.176SC*.THydrogen-bonded Turntrans-97.6-8.3-179.9-63.1-66.5000113.9Q556Q556-H558 PolarHBondContact O-N 2.97Å; Q556-H558 VanDerWaalsContact O-N 3.16Å
559G91.2Very high91.7Very high0 Ų039.8 Ų39.80%020%0.197CC..  trans132.9160-175.900000111.8G551 Q556G551-G559 WeakPolarHBondContact O-CA 3.27Å; Q556-G559 WeakPolarHBondContact CB-O 3.17Å; Q556-G559 PolarHBondContact O-N 3.04Å
560T92.6Very high91.3Very high0 Ų044.9 Ų44.90%023%0.23CC..EExtended strand (participates in β ladder)trans-116.4147178-174.10000110.8G550 G551 Q556 Q562 V587G550-T560 WeakPolarHBondContact O-CG2 3.35Å; G551-T560 PolarHBondContact O-N 2.94Å; Q556-T560 PolarHBondContact OE1-OG1 3.41Å; T560-Q562 PolarHBondContact OG1-N 3.06Å; T560-V587 PolarHBondContact N-O 2.76Å; T560-V587 VanDerWaalsContact N-O 3.12Å; T560-V587 PolarHBondContact O-N 2.77Å
561D91.6Very high91.1Very high23 Ų2349.4 Ų49.412%0.12325%0.254CS..EExtended strand (participates in β ladder)trans-96.45.1170.958.3-13.2000111.7K582 L583 Q586D561-K582 HydrophobicContact CB-CG 4.46Å; D561-K582 CarbonylContact O-C 3.51Å; D561-K582 WeakPolarHBondContact O-CA 3.47Å; D561-K582 WeakPolarHBondContact OD2-CE 3.44Å; D561-K582 IonicContact OD2-NZ 2.65Å; D561-L583 HydrophobicContact CB-CB 4.45Å; D561-L583 PolarHBondContact O-N 3.4Å; D561-Q586 HydrophobicContact CB-CG 4.06Å
562Q91.8Very high91Very high53 Ų5353.2 Ų53.225%0.24827%0.269CS..EExtended strand (participates in β ladder)trans-98.5122.6-177.6-61.9-174.7-1900111.7R467 T560 Y580R467-Q562 VanDerWaalsContact CZ-O 3.27Å; R467-Q562 PolarHBondContact NH1-O 2.81Å; R467-Q562 PolarHBondContact NH2-O 2.9Å; T560-Q562 PolarHBondContact OG1-N 3.06Å; Q562-Y580 HydrophobicContact CB-CD2 4Å; Q562-Y580 HydrophobicContact CB-CG 4.44Å; Q562-Y580 HydrophobicContact CG-CD2 3.72Å; Q562-Y580 HydrophobicContact CG-CE2 3.86Å; Q562-Y580 HydrophobicContact CG-CG 4.36Å
563V92.4Very high91.1Very high0 Ų054.1 Ų54.10%028%0.275CS..EExtended strand (participates in β ladder)trans-88.2111.7163.91770000108.4V547 E548 I549 F565 Y580 I581 L583V547-V563 HydrophobicContact CG1-CG1 3.33Å; E548-V563 WeakPolarHBondContact O-CA 3.49Å; I549-V563 HydrophobicContact CG1-CG1 3.94Å; I549-V563 HydrophobicContact CG1-CG2 4.2Å; I549-V563 HydrophobicContact CG2-CG2 4.27Å; V563-F565 HydrophobicContact CG1-CE1 4.29Å; V563-F565 HydrophobicContact CG1-CE2 4.45Å; V563-F565 HydrophobicContact CG1-CZ 3.98Å; V563-Y580 CarbonylContact O-C 3.52Å; V563-Y580 WeakPolarHBondContact O-CA 3.1Å; V563-Y580 VanDerWaalsContact O-CB 3.22Å; V563-Y580 WeakPolarHBondContact O-CB 3.22Å; V563-I581 HydrophobicContact CB-CB 4.11Å; V563-I581 PolarHBondContact N-O 2.75Å; V563-I581 PolarHBondContact O-N 3.17Å; V563-L583 HydrophobicContact CG2-CD1 4.03Å; V563-L583 HydrophobicContact CG2-CD2 3.78Å; V563-L583 HydrophobicContact CG2-CG 3.8Å
564A92.7Very high91.1Very high13 Ų1354.4 Ų54.411%0.10728%0.277CS..EExtended strand (participates in β ladder)trans-92149.2-178.400000111.4E548 Y566E548-A564 HydrophobicContact CB-CB 4.4Å; E548-A564 PolarHBondContact N-O 2.92Å; E548-A564 PolarHBondContact O-N 2.85Å; A564-Y566 HydrophobicContact CB-CE2 4.17Å
565F92.7Very high91.2Very high25 Ų2551.1 Ų51.111%0.1126%0.261CS..EExtended strand (participates in β ladder)trans-118.4141.9176.7-54.4-85.6000111.4V545 F546 V547 V563 T577 I581 L616V545-F565 HydrophobicContact CG1-CB 3.97Å; V545-F565 HydrophobicContact CG1-CD1 3.9Å; V545-F565 HydrophobicContact CG1-CG 4.4Å; F546-F565 WeakPolarHBondContact O-CA 3.41Å; V547-F565 HydrophobicContact CB-CD1 4.46Å; V547-F565 HydrophobicContact CB-CE1 4.47Å; V547-F565 HydrophobicContact CG1-CD1 4.27Å; V547-F565 HydrophobicContact CG1-CE1 3.9Å; V547-F565 HydrophobicContact CG2-CD1 3.93Å; V547-F565 HydrophobicContact CG2-CE1 3.95Å; V563-F565 HydrophobicContact CG1-CE1 4.29Å; V563-F565 HydrophobicContact CG1-CE2 4.45Å; V563-F565 HydrophobicContact CG1-CZ 3.98Å; F565-T577 WeakPolarHBondContact CB-OG1 3.42Å; F565-T577 PolarHBondContact O-N 3.46Å; F565-T577 PolarHBondContact O-OG1 2.79Å; F565-I581 HydrophobicContact CE2-CB 4.43Å; F565-I581 HydrophobicContact CE2-CD1 4.29Å; F565-I581 HydrophobicContact CE2-CG1 3.87Å; F565-I581 HydrophobicContact CZ-CB 4.42Å; F565-I581 HydrophobicContact CZ-CD1 3.68Å; F565-I581 HydrophobicContact CZ-CG1 3.78Å; F565-L616 HydrophobicContact CE1-CD1 3.92Å; F565-L616 HydrophobicContact CE1-CD2 3.71Å; F565-L616 HydrophobicContact CE1-CG 4.49Å; F565-L616 HydrophobicContact CZ-CD2 3.89Å
566Y93.9Very high91.1Very high2 Ų248.5 Ų48.51%0.00824%0.242CC..EExtended strand (participates in β ladder)trans-130.7126.1173.2-49.9-97.2000109.5F383 I447 T463 V545 F546 E548 A564 V574 F575 C576F383-Y566 HydrophobicContact CD1-CE2 4.43Å; F383-Y566 AromaticContact CE1-CD2 3.99Å; F383-Y566 HydrophobicContact CE1-CD2 3.99Å; F383-Y566 HydrophobicContact CE1-CE2 4.33Å; F383-Y566 HydrophobicContact CE1-CG 4.09Å; I447-Y566 HydrophobicContact CD1-CD1 3.99Å; I447-Y566 HydrophobicContact CD1-CE1 4.14Å; T463-Y566 WeakPolarHBondContact CB-OH 3.34Å; T463-Y566 PolarHBondContact OG1-OH 2.81Å; V545-Y566 WeakPolarHBondContact CA-O 3.46Å; F546-Y566 HydrophobicContact CB-CD2 4.34Å; F546-Y566 PolarHBondContact N-O 2.87Å; F546-Y566 PolarHBondContact O-N 3.32Å; E548-Y566 HydrophobicContact CB-CE2 3.79Å; E548-Y566 VanDerWaalsContact OE2-CE2 3.23Å; E548-Y566 WeakPolarHBondContact OE2-CE2 3.33Å; E548-Y566 VanDerWaalsContact OE2-CZ 3.3Å; E548-Y566 PolarHBondContact OE2-OH 3.06Å; A564-Y566 HydrophobicContact CB-CE2 4.17Å; Y566-V574 HydrophobicContact CD1-CG1 4.35Å; Y566-V574 HydrophobicContact CG-CG1 4.27Å; Y566-F575 WeakPolarHBondContact CA-O 3.24Å; Y566-C576 HydrophobicContact CD1-CB 4Å; Y566-C576 HydrophobicContact CE1-CB 4.04Å
567R92.6Very high91Very high83 Ų8347.7 Ų47.731%0.31324%0.239SC..EExtended strand (participates in β ladder)trans-88.8132.6179.6-72.5-172.9-170.5-163.810110.5E543 V545 F575 T577E543-R567 IonicContact OE2-CZ 3.61Å; E543-R567 IonicContact OE2-NE 2.99Å; E543-R567 IonicContact OE2-NH1 3.42Å; E543-R567 PolarHBondContact OE2-NH1 3.01Å; V545-R567 HydrophobicContact CG2-CG 4.34Å; R567-F575 HydrophobicContact CB-CD1 4.02Å; R567-F575 HydrophobicContact CB-CE1 3.42Å; R567-F575 VanDerWaalsContact CB-CE1 3.42Å; R567-F575 HydrophobicContact CB-CE2 4.05Å; R567-F575 HydrophobicContact CB-CZ 3.46Å; R567-F575 VanDerWaalsContact CB-CZ 3.46Å; R567-F575 HydrophobicContact CG-CE1 4.49Å; R567-F575 HydrophobicContact CG-CE2 4.46Å; R567-F575 HydrophobicContact CG-CZ 4.07Å; R567-F575 PolarHBondContact N-O 2.86Å; R567-F575 WeakPolarHBondContact O-CD1 3.38Å; R567-F575 PolarHBondContact O-N 2.92Å; R567-T577 HydrophobicContact CG-CG2 3.76Å
568L92.8Very high90.7Very high16 Ų1649.1 Ų49.18%0.08426%0.257CS..EExtended strand (participates in β ladder)trans-89.9118.1174.4-17867.9000109.5V375 F381 R544 F546 Y572 V574V375-L568 HydrophobicContact CG1-CD2 3.73Å; F381-L568 HydrophobicContact CE1-CD1 3.91Å; F381-L568 HydrophobicContact CZ-CD1 3.66Å; R544-L568 HydrophobicContact CB-CB 4.16Å; R544-L568 HydrophobicContact CB-CD2 4.15Å; R544-L568 WeakPolarHBondContact O-CB 3.48Å; R544-L568 PolarHBondContact O-N 3.24Å; F546-L568 HydrophobicContact CE2-CB 3.95Å; F546-L568 HydrophobicContact CE2-CD1 3.98Å; F546-L568 HydrophobicContact CE2-CG 4.38Å; F546-L568 HydrophobicContact CZ-CD1 4.35Å; L568-Y572 HydrophobicContact CD1-CD1 4.32Å; L568-Y572 HydrophobicContact CD2-CD1 4.16Å; L568-V574 HydrophobicContact CD1-CG2 4.1Å
569R91.1Very high90.5Very high120 Ų12047.3 Ų47.345%0.45325%0.252SS..PPolyproline II helixtrans-77.6160.9175.8-68.2-172.2-172.6143.80.2111.6D571 Y572 T573 F575R569-D571 WeakPolarHBondContact CB-OD1 3.45Å; R569-D571 PolarHBondContact O-N 2.77Å; R569-D571 VanDerWaalsContact O-N 3.14Å; R569-Y572 WeakPolarHBondContact O-CA 3.46Å; R569-Y572 PolarHBondContact O-N 3.09Å; R569-T573 WeakPolarHBondContact CD-OG1 3.48Å; R569-T573 PolarHBondContact N-O 2.77Å; R569-F575 HydrophobicContact CG-CD1 3.75Å; R569-F575 HydrophobicContact CG-CE1 3.73Å
570P85.4Confident90.3Very high106 Ų10653 Ų5369%0.68828%0.275SS*.THydrogen-bonded Turntrans-58.3-24.5176.4-2735.8000115.2Y572P570-Y572 PolarHBondContact O-N 2.82Å
571D89.7Confident90.1Very high96 Ų9654.8 Ų54.851%0.51328%0.284SS..THydrogen-bonded Turntrans-84.45.9174.368.2-7.2000113.4R569 T573R569-D571 WeakPolarHBondContact CB-OD1 3.45Å; R569-D571 PolarHBondContact O-N 2.77Å; R569-D571 VanDerWaalsContact O-N 3.14Å; D571-T573 PolarHBondContact O-N 2.87Å; D571-T573 WeakPolarHBondContact OD1-CB 3.34Å; D571-T573 PolarHBondContact OD1-N 2.88Å; D571-T573 PolarHBondContact OD1-OG1 3.26Å; D571-T573 PolarHBondContact OD2-OG1 2.97Å
572Y91.4Very high90Very high80 Ų8060.3 Ų60.331%0.31431%0.307SS..SBendtrans61.427.2-176.9-62.3-93.3000114V375 Y379 F381 R449 L568 R569 P570V375-Y572 HydrophobicContact CG1-CD1 4.5Å; V375-Y572 HydrophobicContact CG1-CE1 4.17Å; Y379-Y572 AromaticContact CD2-CD1 3.62Å; Y379-Y572 HydrophobicContact CD2-CD1 3.62Å; Y379-Y572 HydrophobicContact CD2-CD2 4.49Å; Y379-Y572 AromaticContact CD2-CE1 3.53Å; Y379-Y572 HydrophobicContact CD2-CE1 3.53Å; Y379-Y572 HydrophobicContact CD2-CE2 4.43Å; Y379-Y572 HydrophobicContact CD2-CG 4.11Å; Y379-Y572 AromaticContact CD2-CZ 3.97Å; Y379-Y572 AromaticContact CE2-CD1 3.88Å; Y379-Y572 HydrophobicContact CE2-CD1 3.88Å; Y379-Y572 AromaticContact CE2-CD2 3.91Å; Y379-Y572 HydrophobicContact CE2-CD2 3.91Å; Y379-Y572 AromaticContact CE2-CE1 3.75Å; Y379-Y572 HydrophobicContact CE2-CE1 3.75Å; Y379-Y572 AromaticContact CE2-CE2 3.78Å; Y379-Y572 HydrophobicContact CE2-CE2 3.78Å; Y379-Y572 AromaticContact CE2-CG 3.95Å; Y379-Y572 HydrophobicContact CE2-CG 3.95Å; Y379-Y572 AromaticContact CE2-CZ 3.7Å; F381-Y572 HydrophobicContact CZ-CD1 4.27Å; R449-Y572 PolarHBondContact NH1-O 3.15Å; L568-Y572 HydrophobicContact CD1-CD1 4.32Å; L568-Y572 HydrophobicContact CD2-CD1 4.16Å; R569-Y572 WeakPolarHBondContact O-CA 3.46Å; R569-Y572 PolarHBondContact O-N 3.09Å; P570-Y572 PolarHBondContact O-N 2.82Å
573T94.6Very high89.9Confident36 Ų3658.2 Ų58.222%0.22130%0.297CS..  trans-85.8153.6161.263.30000110.7V460 R569 D571V460-T573 WeakPolarHBondContact O-CA 3.28Å; R569-T573 WeakPolarHBondContact CD-OG1 3.48Å; R569-T573 PolarHBondContact N-O 2.77Å; D571-T573 PolarHBondContact O-N 2.87Å; D571-T573 WeakPolarHBondContact OD1-CB 3.34Å; D571-T573 PolarHBondContact OD1-N 2.88Å; D571-T573 PolarHBondContact OD1-OG1 3.26Å; D571-T573 PolarHBondContact OD2-OG1 2.97Å
574V94Very high89.6Confident7 Ų763.7 Ų63.74%0.04233%0.333CS..EExtended strand (participates in β ladder)trans-117.5133.5-175.2-175.30000108.8F381 F383 I447 V460 G461 F546 Y566 L568F381-V574 HydrophobicContact CD1-CG2 3.87Å; F381-V574 HydrophobicContact CE1-CG2 3.63Å; F383-V574 HydrophobicContact CE1-CG1 4.45Å; F383-V574 HydrophobicContact CZ-CG1 4.5Å; I447-V574 HydrophobicContact CD1-CB 4.31Å; I447-V574 HydrophobicContact CD1-CG1 3.84Å; I447-V574 HydrophobicContact CG2-CB 4.46Å; I447-V574 HydrophobicContact CG2-CG2 4.26Å; V460-V574 HydrophobicContact CG2-CG2 4.09Å; V460-V574 PolarHBondContact O-N 2.97Å; G461-V574 WeakPolarHBondContact CA-O 3.41Å; F546-V574 HydrophobicContact CD2-CG1 4.29Å; F546-V574 HydrophobicContact CE2-CG1 4.43Å; F546-V574 HydrophobicContact CE2-CG2 3.87Å; Y566-V574 HydrophobicContact CD1-CG1 4.35Å; Y566-V574 HydrophobicContact CG-CG1 4.27Å; L568-V574 HydrophobicContact CD1-CG2 4.1Å
575F91.3Very high89.4Confident71 Ų7167.8 Ų67.831%0.31135%0.349SS..EExtended strand (participates in β ladder)trans-126.7136.9170.470.1-83.7000111Y566 R567 R569 T577Y566-F575 WeakPolarHBondContact CA-O 3.24Å; R567-F575 HydrophobicContact CB-CD1 4.02Å; R567-F575 HydrophobicContact CB-CE1 3.42Å; R567-F575 VanDerWaalsContact CB-CE1 3.42Å; R567-F575 HydrophobicContact CB-CE2 4.05Å; R567-F575 HydrophobicContact CB-CZ 3.46Å; R567-F575 VanDerWaalsContact CB-CZ 3.46Å; R567-F575 HydrophobicContact CG-CE1 4.49Å; R567-F575 HydrophobicContact CG-CE2 4.46Å; R567-F575 HydrophobicContact CG-CZ 4.07Å; R567-F575 PolarHBondContact N-O 2.86Å; R567-F575 WeakPolarHBondContact O-CD1 3.38Å; R567-F575 PolarHBondContact O-N 2.92Å; R569-F575 HydrophobicContact CG-CD1 3.75Å; R569-F575 HydrophobicContact CG-CE1 3.73Å; F575-T577 HydrophobicContact CE2-CG2 4.45Å
576C88.6Confident89.3Confident38 Ų3871.8 Ų71.826%0.25737%0.369SS..EExtended strand (participates in β ladder)trans-65.8132.4174.4-171.20000109.7Y566Y566-C576 HydrophobicContact CD1-CB 4Å; Y566-C576 HydrophobicContact CE1-CB 4.04Å
577T86.6Confident89.1Confident19 Ų1972 Ų7212%0.11737%0.37CS..EExtended strand (participates in β ladder)trans-90.2143.7167.764.70000109.2F565 R567 F575 D579F565-T577 WeakPolarHBondContact CB-OG1 3.42Å; F565-T577 PolarHBondContact O-N 3.46Å; F565-T577 PolarHBondContact O-OG1 2.79Å; R567-T577 HydrophobicContact CG-CG2 3.76Å; F575-T577 HydrophobicContact CE2-CG2 4.45Å; T577-D579 PolarHBondContact O-N 2.61Å; T577-D579 PolarHBondContact OG1-O 3.22Å
578A82.2Confident89Confident100 Ų10069.5 Ų69.583%0.82636%0.361SS*.EExtended strand (participates in β ladder)trans-68.4-15.5172.600000112.9
579D80.6Confident88.8Confident106 Ų10670.3 Ų70.357%0.56736%0.363SS*.EExtended strand (participates in β ladder)trans-73.7142179.2-56.8-42.2000111.2T577T577-D579 PolarHBondContact O-N 2.61Å; T577-D579 PolarHBondContact OG1-O 3.22Å
580Y87Confident88.9Confident120 Ų12064.8 Ų64.847%0.47134%0.343SS..EExtended strand (participates in β ladder)trans-147.3154.1172.469.4-86.3000110.3Q562 V563 K582Q562-Y580 HydrophobicContact CB-CD2 4Å; Q562-Y580 HydrophobicContact CB-CG 4.44Å; Q562-Y580 HydrophobicContact CG-CD2 3.72Å; Q562-Y580 HydrophobicContact CG-CE2 3.86Å; Q562-Y580 HydrophobicContact CG-CG 4.36Å; V563-Y580 CarbonylContact O-C 3.52Å; V563-Y580 WeakPolarHBondContact O-CA 3.1Å; V563-Y580 VanDerWaalsContact O-CB 3.22Å; V563-Y580 WeakPolarHBondContact O-CB 3.22Å; Y580-K582 HydrophobicContact CE2-CB 4.12Å
581I88.7Confident89.3Confident36 Ų3660.4 Ų60.419%0.18531%0.313CS..EExtended strand (participates in β ladder)trans-96.8133.1167.2-67.7175.8000108.2V563 F565 L614 L616V563-I581 HydrophobicContact CB-CB 4.11Å; V563-I581 PolarHBondContact N-O 2.75Å; V563-I581 PolarHBondContact O-N 3.17Å; F565-I581 HydrophobicContact CE2-CB 4.43Å; F565-I581 HydrophobicContact CE2-CD1 4.29Å; F565-I581 HydrophobicContact CE2-CG1 3.87Å; F565-I581 HydrophobicContact CZ-CB 4.42Å; F565-I581 HydrophobicContact CZ-CD1 3.68Å; F565-I581 HydrophobicContact CZ-CG1 3.78Å; I581-L614 HydrophobicContact CD1-CD1 4.45Å; I581-L616 HydrophobicContact CD1-CD2 3.81Å
582K90.6Very high89.5Confident140 Ų14056 Ų5661%0.60929%0.29SS*.EExtended strand (participates in β ladder)trans-89.6120.6174.6-165.7178.7-174.7-178.80110.5D561 Y580D561-K582 HydrophobicContact CB-CG 4.46Å; D561-K582 CarbonylContact O-C 3.51Å; D561-K582 WeakPolarHBondContact O-CA 3.47Å; D561-K582 WeakPolarHBondContact OD2-CE 3.44Å; D561-K582 IonicContact OD2-NZ 2.65Å; Y580-K582 HydrophobicContact CE2-CB 4.12Å
583L89.7Confident89.6Confident8 Ų853.1 Ų53.14%0.04228%0.281CS..EExtended strand (participates in β ladder)trans-74.3156.4172.7-62.8177.6000111I549 D561 V563 Q585 W605 L621I549-L583 HydrophobicContact CG2-CD1 4.26Å; D561-L583 HydrophobicContact CB-CB 4.45Å; D561-L583 PolarHBondContact O-N 3.4Å; V563-L583 HydrophobicContact CG2-CD1 4.03Å; V563-L583 HydrophobicContact CG2-CD2 3.78Å; V563-L583 HydrophobicContact CG2-CG 3.8Å; L583-Q585 PolarHBondContact O-N 2.98Å; L583-W605 HydrophobicContact CD1-CH2 4.11Å; L583-W605 HydrophobicContact CD1-CZ3 4.23Å; L583-W605 HydrophobicContact CD2-CH2 4.21Å; L583-L621 HydrophobicContact CD2-CD2 4.4Å
584P86.4Confident89.5Confident115 Ų11552.4 Ų52.475%0.74728%0.279SS*.EExtended strand (participates in β ladder)trans-61.5-23.7178.8-2434.4000114.6L621P584-L621 HydrophobicContact CG-CD2 4.27Å
585Q87.6Confident89.3Confident99 Ų9953.1 Ų53.146%0.46328%0.282SS..EExtended strand (participates in β ladder)trans-145.7157-177.964.4-175.920.700110.8L583 V587L583-Q585 PolarHBondContact O-N 2.98Å; Q585-V587 HydrophobicContact CG-CG2 3.73Å
586Q90.8Very high88.5Confident109 Ų10957.9 Ų57.951%0.50931%0.305SS..EExtended strand (participates in β ladder)trans-70.5130.2171.5-72.1177.1-0.100109.7D561D561-Q586 HydrophobicContact CB-CG 4.06Å
587V90.1Very high88Confident6 Ų662 Ų624%0.03632%0.324CS..EExtended strand (participates in β ladder)trans-132.4132.8-179.6-168.50000110.5G550 T560 Q585 Y589 V590 W605G550-V587 WeakPolarHBondContact CA-O 3.36Å; T560-V587 PolarHBondContact N-O 2.76Å; T560-V587 VanDerWaalsContact N-O 3.12Å; T560-V587 PolarHBondContact O-N 2.77Å; Q585-V587 HydrophobicContact CG-CG2 3.73Å; V587-Y589 WeakPolarHBondContact CG1-O 3.41Å; V587-V590 HydrophobicContact CB-CG1 4.16Å; V587-V590 HydrophobicContact CG1-CG1 3.37Å; V587-W605 HydrophobicContact CB-CZ3 4.24Å; V587-W605 HydrophobicContact CG1-CE3 4.16Å; V587-W605 HydrophobicContact CG1-CZ3 4.34Å; V587-W605 HydrophobicContact CG2-CE3 3.94Å; V587-W605 HydrophobicContact CG2-CZ3 3.6Å
588R90.5Very high87.9Confident32 Ų3264.5 Ų64.512%0.12134%0.34CS..SBendtrans-95.3-53.7171.8173.4174-178.5157.6-7.7111.1E469 G551 I552 R665E469-R588 VanDerWaalsContact CD-NH2 3.28Å; E469-R588 IonicContact OE1-NH2 3.71Å; E469-R588 PolarHBondContact OE1-NH2 3.37Å; E469-R588 IonicContact OE2-CZ 2.91Å; E469-R588 IonicContact OE2-NE 3.93Å; E469-R588 PolarHBondContact OE2-NE 2.93Å; E469-R588 IonicContact OE2-NH2 3.04Å; E469-R588 PolarHBondContact OE2-NH2 3.29Å; G551-R588 PolarHBondContact N-O 2.78Å; I552-R588 HydrophobicContact CG2-CB 4.09Å; I552-R588 VanDerWaalsContact CG2-CD 3.49Å; I552-R588 HydrophobicContact CG2-CG 3.6Å; R588-R665 VanDerWaalsContact CZ-NH1 3.25Å
589Y87.9Confident88Confident32 Ų3261.4 Ų61.413%0.12531%0.309CS..  trans-98.6104.8-171.2-58-54.4000110.5E469 V587 E606 I640 H641 F660 R665E469-Y589 WeakPolarHBondContact OE2-CE1 3.39Å; V587-Y589 WeakPolarHBondContact CG1-O 3.41Å; Y589-E606 WeakPolarHBondContact CB-OE2 3.34Å; Y589-I640 HydrophobicContact CD1-CG2 4Å; Y589-I640 HydrophobicContact CD2-CD1 4.41Å; Y589-I640 HydrophobicContact CD2-CG2 3.76Å; Y589-I640 HydrophobicContact CE1-CG2 4.3Å; Y589-I640 HydrophobicContact CE2-CG2 4.06Å; Y589-I640 HydrophobicContact CG-CG2 3.73Å; Y589-H641 AromaticContact CD1-CE1 3.62Å; Y589-H641 AromaticContact CD1-NE2 3.96Å; Y589-H641 AromaticContact CE1-CE1 3.53Å; Y589-H641 AromaticContact CE1-NE2 3.51Å; Y589-F660 AromaticContact CE2-CE2 3.75Å; Y589-F660 HydrophobicContact CE2-CE2 3.75Å; Y589-F660 AromaticContact CZ-CE2 3.99Å; Y589-R665 PolarHBondContact OH-NH1 2.99Å
590V92.5Very high88.5Confident5 Ų557.9 Ų57.93%0.0329%0.29CS..EExtended strand (participates in β ladder)trans-135.7150.3171.1-63.40000108.5H471 I549 V587 I603 F604 W605H471-V590 HydrophobicContact CB-CG2 4.41Å; H471-V590 PolarHBondContact CD2-O 2.8Å; I549-V590 HydrophobicContact CB-CG2 4.35Å; I549-V590 HydrophobicContact CG2-CG2 4.02Å; V587-V590 HydrophobicContact CB-CG1 4.16Å; V587-V590 HydrophobicContact CG1-CG1 3.37Å; V590-I603 HydrophobicContact CB-CG2 4.32Å; V590-I603 HydrophobicContact CG1-CG2 4.21Å; V590-F604 WeakPolarHBondContact CA-O 3.3Å; V590-W605 HydrophobicContact CG1-CE3 3.97Å; V590-W605 HydrophobicContact CG1-CZ3 4.14Å
591N94Very high88.9Confident13 Ų1352.2 Ų52.27%0.0727%0.268CS..EExtended strand (participates in β ladder)trans-119.4136162.2-159-33.9000107.6H471 F604 A642 L644H471-N591 PolarHBondContact CE1-OD1 3.12Å; H471-N591 PolarHBondContact NE2-OD1 3.28Å; N591-F604 PolarHBondContact N-O 2.77Å; N591-F604 VanDerWaalsContact N-O 3.1Å; N591-F604 PolarHBondContact O-N 3.17Å; N591-A642 PolarHBondContact ND2-O 2.68Å; N591-L644 HydrophobicContact CB-CB 3.99Å; N591-L644 HydrophobicContact CB-CD2 4.11Å; N591-L644 WeakPolarHBondContact ND2-CB 3.29Å; N591-L644 PolarHBondContact ND2-N 3.36Å; N591-L644 WeakPolarHBondContact OD1-CB 3.18Å
592C94.6Very high89.2Confident3 Ų351.2 Ų51.22%0.0226%0.262CS..EExtended strand (participates in β ladder)trans-139146.4-179.670.40000113H471 V473 I549 V601 Y602 I603H471-C592 PolarHBondContact ND1-N 3.17Å; H471-C592 PolarHBondContact ND1-O 3.16Å; V473-C592 VanDerWaalsContact CG1-SG 3.53Å; I549-C592 HydrophobicContact CD1-CB 4.49Å; C592-V601 HydrophobicContact CB-CG1 4.16Å; C592-Y602 CarbonylContact C-O 3.5Å; C592-Y602 WeakPolarHBondContact CA-O 3.39Å; C592-Y602 VanDerWaalsContact CB-O 3.23Å; C592-Y602 WeakPolarHBondContact CB-O 3.17Å; C592-I603 HydrophobicContact CB-CG1 4.38Å
593C93.6Very high89.5Confident20 Ų2044.6 Ų44.614%0.13523%0.233CC..EExtended strand (participates in β ladder)trans-135.6133.9177.4-75.40000109.2Y602 L644 L651C593-Y602 PolarHBondContact N-O 3.09Å; C593-Y602 PolarHBondContact O-N 3.05Å; C593-L644 HydrophobicContact CB-CD2 4.23Å; C593-L651 HydrophobicContact CB-CD1 4.26Å
594A92.3Very high89.7Confident21 Ų2144.2 Ų44.217%0.17423%0.231CC..EExtended strand (participates in β ladder)trans-84.8140169.500000109.9V473 I475 L600 W646V473-A594 HydrophobicContact CB-CB 4.1Å; V473-A594 HydrophobicContact CG2-CB 4.46Å; I475-A594 HydrophobicContact CG1-CB 4.4Å; A594-L600 WeakPolarHBondContact CA-O 3.44Å; A594-W646 PolarHBondContact O-NE1 2.65Å
595H89.1Confident90Very high23 Ų2339.3 Ų39.311%0.10620%0.198CC..  trans-81.8125.6168.3-171.7-59.7000108.9D597 T598 N599 L600 Y602 W646H595-D597 IonicContact CE1-OD2 2.77Å; H595-D597 PolarHBondContact ND1-N 3.47Å; H595-D597 IonicContact ND1-OD2 2.76Å; H595-D597 PolarHBondContact O-N 3.22Å; H595-T598 WeakPolarHBondContact CB-OG1 3.35Å; H595-N599 PolarHBondContact O-N 3.04Å; H595-N599 VanDerWaalsContact O-N 3.1Å; H595-L600 PolarHBondContact N-O 2.86Å; H595-Y602 HydrophobicContact CB-CD2 4.46Å; H595-Y602 HydrophobicContact CB-CE2 4.06Å; H595-W646 HydrophobicContact CB-CZ2 4.09Å; H595-W646 AromaticContact CD2-CH2 3.53Å; H595-W646 AromaticContact CD2-CZ2 3.7Å; H595-W646 AromaticContact CD2-CZ3 3.98Å
596Q75.3Confident90.2Very high171 Ų17134.9 Ų34.980%0.79918%0.177SC*.THydrogen-bonded Turntrans-63.5-38.4-167.8-65.6-173.9-0.200113.2
597D78.4Confident89.9Confident124 Ų12432.5 Ų32.566%0.66317%0.172SC*.THydrogen-bonded Turntrans-84.9-36-176.5-52.3-53.3000114.4H595H595-D597 IonicContact CE1-OD2 2.77Å; H595-D597 PolarHBondContact ND1-N 3.47Å; H595-D597 IonicContact ND1-OD2 2.76Å; H595-D597 PolarHBondContact O-N 3.22Å
598T84.9Confident89.8Confident71 Ų7134 Ų3444%0.43618%0.182SC..THydrogen-bonded Turntrans-94.7-10.1-172.761.70000113.3H595 L600H595-T598 WeakPolarHBondContact CB-OG1 3.35Å; T598-L600 PolarHBondContact O-N 2.91Å
599N83.3Confident89.7Confident35 Ų3532.6 Ų32.619%0.18718%0.177CC..  trans57.713.8-173.4-72.7-47.9000114.4I475 N476 H595I475-N599 HydrophobicContact CG2-CB 3.66Å; I475-N599 WeakPolarHBondContact CG2-OD1 3.36Å; N476-N599 PolarHBondContact N-OD1 3.14Å; N476-N599 VanDerWaalsContact O-CG 3.27Å; N476-N599 PolarHBondContact O-ND2 2.76Å; N476-N599 PolarHBondContact O-OD1 3.13Å; H595-N599 PolarHBondContact O-N 3.04Å; H595-N599 VanDerWaalsContact O-N 3.1Å
600L92.3Very high89.9Confident33 Ų3334.4 Ų34.417%0.17319%0.187CC..PPolyproline II helixtrans-78.5137.7176.2-65.2176.9000110.5A594 H595 T598 Y602 V613 D615A594-L600 WeakPolarHBondContact CA-O 3.44Å; H595-L600 PolarHBondContact N-O 2.86Å; T598-L600 PolarHBondContact O-N 2.91Å; L600-Y602 HydrophobicContact CB-CE2 4.11Å; L600-V613 HydrophobicContact CB-CG2 3.73Å; L600-V613 HydrophobicContact CD1-CG2 4.11Å; L600-V613 HydrophobicContact CD2-CG2 4.28Å; L600-V613 HydrophobicContact CG-CG2 4.26Å; L600-D615 HydrophobicContact CD2-CB 3.64Å
601V94.6Very high90Very high0 Ų034.2 Ų34.20%019%0.185CC..EExtended strand (participates in β ladder)trans-99.5116.7177.2-176.70000109.8V473 I475 I549 C592 I603 V613 L614V473-V601 HydrophobicContact CG2-CG1 3.99Å; V473-V601 HydrophobicContact CG2-CG2 3.95Å; I475-V601 HydrophobicContact CD1-CG2 3.32Å; I475-V601 HydrophobicContact CG1-CG2 4.21Å; I549-V601 HydrophobicContact CD1-CG1 3.92Å; C592-V601 HydrophobicContact CB-CG1 4.16Å; V601-I603 HydrophobicContact CG1-CG1 4.1Å; V601-V613 CarbonylContact O-C 3.51Å; V601-V613 WeakPolarHBondContact O-CA 3.39Å; V601-L614 HydrophobicContact CB-CB 4.23Å; V601-L614 PolarHBondContact N-O 2.9Å; V601-L614 PolarHBondContact O-N 3.07Å
602Y95.7Very high90Very high16 Ų1634 Ų346%0.06319%0.185CC..EExtended strand (participates in β ladder)trans-88.1125.8173.1-72.1-103.7000108.9C592 C593 H595 L600 L611 S612 V613 L624 W646 L651 Y677C592-Y602 CarbonylContact C-O 3.5Å; C592-Y602 WeakPolarHBondContact CA-O 3.39Å; C592-Y602 VanDerWaalsContact CB-O 3.23Å; C592-Y602 WeakPolarHBondContact CB-O 3.17Å; C593-Y602 PolarHBondContact N-O 3.09Å; C593-Y602 PolarHBondContact O-N 3.05Å; H595-Y602 HydrophobicContact CB-CD2 4.46Å; H595-Y602 HydrophobicContact CB-CE2 4.06Å; L600-Y602 HydrophobicContact CB-CE2 4.11Å; Y602-L611 HydrophobicContact CD1-CD2 4.2Å; Y602-L611 HydrophobicContact CD1-CG 4.45Å; Y602-S612 CarbonylContact C-O 3.33Å; Y602-S612 WeakPolarHBondContact CA-O 3.35Å; Y602-V613 HydrophobicContact CD2-CG2 4.4Å; Y602-V613 HydrophobicContact CE1-CB 4.41Å; Y602-V613 HydrophobicContact CE1-CG2 4.44Å; Y602-V613 HydrophobicContact CE2-CG2 4.17Å; Y602-L624 HydrophobicContact CD1-CD1 3.74Å; Y602-L624 HydrophobicContact CE1-CD1 3.55Å; Y602-W646 AromaticContact CD2-CZ2 3.69Å; Y602-W646 HydrophobicContact CD2-CZ2 3.69Å; Y602-W646 HydrophobicContact CE2-CH2 4.19Å; Y602-W646 AromaticContact CE2-CZ2 3.74Å; Y602-W646 HydrophobicContact CE2-CZ2 3.74Å; Y602-W646 HydrophobicContact CG-CZ2 4.13Å; Y602-L651 HydrophobicContact CD1-CD2 4.19Å; Y602-L651 HydrophobicContact CG-CD2 4.32Å; Y602-Y677 AromaticContact CE1-CE1 3.97Å; Y602-Y677 HydrophobicContact CE1-CE1 3.97Å
603I95.2Very high90.1Very high0 Ų034.1 Ų34.10%019%0.185CC..EExtended strand (participates in β ladder)trans-116.1115.1-178-54.6174.2000107.4I549 V590 C592 V601 W605 S612 L614 L621I549-I603 HydrophobicContact CD1-CD1 3.87Å; I549-I603 HydrophobicContact CD1-CG1 4.09Å; V590-I603 HydrophobicContact CB-CG2 4.32Å; V590-I603 HydrophobicContact CG1-CG2 4.21Å; C592-I603 HydrophobicContact CB-CG1 4.38Å; V601-I603 HydrophobicContact CG1-CG1 4.1Å; I603-W605 HydrophobicContact CB-CZ2 4.39Å; I603-W605 HydrophobicContact CG2-CD2 4.06Å; I603-W605 HydrophobicContact CG2-CE3 4.21Å; I603-W605 HydrophobicContact CG2-CH2 4.07Å; I603-W605 HydrophobicContact CG2-CZ2 3.91Å; I603-W605 HydrophobicContact CG2-CZ3 4.2Å; I603-S612 PolarHBondContact N-O 2.85Å; I603-S612 PolarHBondContact O-N 2.58Å; I603-L614 HydrophobicContact CD1-CB 3.91Å; I603-L614 HydrophobicContact CD1-CD2 4.23Å; I603-L621 HydrophobicContact CD1-CD1 4.16Å
604F94.8Very high90Very high1 Ų133.3 Ų33.30%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-93.5116.6171-174.8-104.4000109.3V590 N591 E606 L611 R639 L644 V653V590-F604 WeakPolarHBondContact CA-O 3.3Å; N591-F604 PolarHBondContact N-O 2.77Å; N591-F604 VanDerWaalsContact N-O 3.1Å; N591-F604 PolarHBondContact O-N 3.17Å; F604-E606 HydrophobicContact CD1-CG 4.11Å; F604-E606 HydrophobicContact CE1-CG 4.39Å; F604-E606 PolarHBondContact O-N 3.05Å; F604-L611 HydrophobicContact CB-CD1 4.19Å; F604-L611 HydrophobicContact CD2-CD1 4.32Å; F604-R639 HydrophobicContact CE1-CB 4Å; F604-R639 HydrophobicContact CZ-CB 4.18Å; F604-L644 HydrophobicContact CB-CD1 4.29Å; F604-L644 HydrophobicContact CB-CD2 4.07Å; F604-V653 HydrophobicContact CD2-CG2 4.04Å; F604-V653 HydrophobicContact CE1-CG1 4.1Å; F604-V653 HydrophobicContact CE2-CG1 4.35Å; F604-V653 HydrophobicContact CE2-CG2 4.09Å; F604-V653 HydrophobicContact CG-CG2 4.35Å; F604-V653 HydrophobicContact CZ-CG1 3.94Å; F604-V653 HydrophobicContact CZ-CG2 4.44Å
605W92.9Very high90Very high12 Ų1233.7 Ų33.75%0.04518%0.179CC..EExtended strand (participates in β ladder)trans-8595.7-178.9-53.298.7000109.2L583 V587 V590 I603 S607 T608 S609 E610 S612 L621L583-W605 HydrophobicContact CD1-CH2 4.11Å; L583-W605 HydrophobicContact CD1-CZ3 4.23Å; L583-W605 HydrophobicContact CD2-CH2 4.21Å; V587-W605 HydrophobicContact CB-CZ3 4.24Å; V587-W605 HydrophobicContact CG1-CE3 4.16Å; V587-W605 HydrophobicContact CG1-CZ3 4.34Å; V587-W605 HydrophobicContact CG2-CE3 3.94Å; V587-W605 HydrophobicContact CG2-CZ3 3.6Å; V590-W605 HydrophobicContact CG1-CE3 3.97Å; V590-W605 HydrophobicContact CG1-CZ3 4.14Å; I603-W605 HydrophobicContact CB-CZ2 4.39Å; I603-W605 HydrophobicContact CG2-CD2 4.06Å; I603-W605 HydrophobicContact CG2-CE3 4.21Å; I603-W605 HydrophobicContact CG2-CH2 4.07Å; I603-W605 HydrophobicContact CG2-CZ2 3.91Å; I603-W605 HydrophobicContact CG2-CZ3 4.2Å; W605-S607 PolarHBondContact O-N 3.15Å; W605-S607 VanDerWaalsContact O-N 3.1Å; W605-T608 WeakPolarHBondContact CB-OG1 3.31Å; W605-T608 PolarHBondContact O-N 2.8Å; W605-S609 WeakPolarHBondContact O-CA 3.42Å; W605-S609 PolarHBondContact O-N 3Å; W605-E610 HydrophobicContact CB-CB 4.38Å; W605-E610 VanDerWaalsContact CD1-O 3.25Å; W605-E610 HydrophobicContact CG-CB 4.43Å; W605-E610 PolarHBondContact N-O 2.8Å; W605-S612 PolarHBondContact NE1-OG 3.24Å; W605-L621 HydrophobicContact CH2-CD2 4.44Å; W605-L621 HydrophobicContact CZ2-CD1 4.32Å; W605-L621 HydrophobicContact CZ2-CD2 4.03Å
606E90.4Very high89.8Confident6 Ų634.2 Ų34.23%0.02818%0.182CC..THydrogen-bonded Turntrans-59.2-29.5-171.3-68.6-167.6170.800113.8Y589 F604 A638 R639 I640 H641Y589-E606 WeakPolarHBondContact CB-OE2 3.34Å; F604-E606 HydrophobicContact CD1-CG 4.11Å; F604-E606 HydrophobicContact CE1-CG 4.39Å; F604-E606 PolarHBondContact O-N 3.05Å; E606-A638 CarbonylContact O-C 3.51Å; E606-A638 WeakPolarHBondContact O-CA 3.3Å; E606-R639 VanDerWaalsContact CB-O 3.29Å; E606-R639 WeakPolarHBondContact CB-O 3.39Å; E606-R639 WeakPolarHBondContact CG-O 3.47Å; E606-R639 CarbonylContact O-C 3.54Å; E606-R639 PolarHBondContact O-N 3.46Å; E606-I640 WeakPolarHBondContact OE2-CA 3.49Å; E606-H641 VanDerWaalsContact CD-N 3.32Å; E606-H641 PolarHBondContact OE2-N 3.13Å
607S86.1Confident90.1Very high58 Ų5833.6 Ų33.641%0.40618%0.179SC..THydrogen-bonded Turntrans-73.2-25.4178.3540000114.4W605 A638W605-S607 PolarHBondContact O-N 3.15Å; W605-S607 VanDerWaalsContact O-N 3.1Å; S607-A638 WeakPolarHBondContact O-CB 3.38Å
608T86.8Confident90.4Very high39 Ų3936.5 Ų36.524%0.23918%0.181CC..THydrogen-bonded Turntrans-118.5-8.5-175.556.80000113.1W605 E610 N636W605-T608 WeakPolarHBondContact CB-OG1 3.31Å; W605-T608 PolarHBondContact O-N 2.8Å; T608-E610 WeakPolarHBondContact CB-OE2 3.28Å; T608-E610 PolarHBondContact O-N 2.94Å; T608-E610 WeakPolarHBondContact OG1-CG 3.36Å; T608-E610 PolarHBondContact OG1-OE2 2.79Å; T608-N636 WeakPolarHBondContact O-CB 3.47Å
609S89.2Confident90.3Very high1 Ų139.9 Ų39.91%0.00719%0.191CC..THydrogen-bonded Turntrans54.726.1-169.9-68.40000114.1W605 E637 R639W605-S609 WeakPolarHBondContact O-CA 3.42Å; W605-S609 PolarHBondContact O-N 3Å; S609-E637 VanDerWaalsContact CB-O 3.31Å; S609-E637 WeakPolarHBondContact CB-O 3.42Å; S609-E637 PolarHBondContact OG-O 2.82Å; S609-R639 WeakPolarHBondContact OG-CD 3.33Å; S609-R639 WeakPolarHBondContact OG-CG 3.42Å
610E91.6Very high90.6Very high71 Ų7141.4 Ų41.433%0.33220%0.202SC..EExtended strand (participates in β ladder)trans-85.8152.2174.6-67.7171.6142.700110.4W605 T608W605-E610 HydrophobicContact CB-CB 4.38Å; W605-E610 VanDerWaalsContact CD1-O 3.25Å; W605-E610 HydrophobicContact CG-CB 4.43Å; W605-E610 PolarHBondContact N-O 2.8Å; T608-E610 WeakPolarHBondContact CB-OE2 3.28Å; T608-E610 PolarHBondContact O-N 2.94Å; T608-E610 WeakPolarHBondContact OG1-CG 3.36Å; T608-E610 PolarHBondContact OG1-OE2 2.79Å
611L94.5Very high90.6Very high1 Ų142.9 Ų42.91%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-116.9130.6173.2-172.972.1000108.9Y602 F604 L624 L651 Y677 W684Y602-L611 HydrophobicContact CD1-CD2 4.2Å; Y602-L611 HydrophobicContact CD1-CG 4.45Å; F604-L611 HydrophobicContact CB-CD1 4.19Å; F604-L611 HydrophobicContact CD2-CD1 4.32Å; L611-L624 HydrophobicContact CB-CB 4.37Å; L611-L624 HydrophobicContact CD2-CB 4.39Å; L611-L624 HydrophobicContact CD2-CD1 3.73Å; L611-L624 HydrophobicContact CG-CB 4.46Å; L611-L624 HydrophobicContact CG-CD1 3.89Å; L611-L624 WeakPolarHBondContact O-CB 3.46Å; L611-L624 PolarHBondContact O-N 3.08Å; L611-L651 HydrophobicContact CD1-CD2 3.97Å; L611-L651 HydrophobicContact CD2-CD2 4.15Å; L611-Y677 HydrophobicContact CD2-CD1 3.63Å; L611-Y677 HydrophobicContact CD2-CD2 3.85Å; L611-Y677 HydrophobicContact CD2-CE1 3.77Å; L611-Y677 HydrophobicContact CD2-CE2 3.97Å; L611-Y677 HydrophobicContact CD2-CG 3.67Å; L611-W684 HydrophobicContact CB-CZ2 3.99Å; L611-W684 HydrophobicContact CD2-CH2 4.46Å; L611-W684 HydrophobicContact CD2-CZ2 3.8Å; L611-W684 HydrophobicContact CG-CZ2 4.37Å
612S95Very high90.6Very high9 Ų950 Ų506%0.06324%0.237CC..EExtended strand (participates in β ladder)trans-125.1157.2172-63.20000110.7Y602 I603 W605 R622Y602-S612 CarbonylContact C-O 3.33Å; Y602-S612 WeakPolarHBondContact CA-O 3.35Å; I603-S612 PolarHBondContact N-O 2.85Å; I603-S612 PolarHBondContact O-N 2.58Å; W605-S612 PolarHBondContact NE1-OG 3.24Å; S612-R622 CarbonylContact C-O 3.57Å; S612-R622 WeakPolarHBondContact CA-O 3.38Å; S612-R622 WeakPolarHBondContact CB-O 3.29Å
613V94.9Very high90.5Very high4 Ų453 Ų532%0.02426%0.259CS..EExtended strand (participates in β ladder)trans-114.6126.3170.463.80000109.8L600 V601 Y602 L621 R622 L624L600-V613 HydrophobicContact CB-CG2 3.73Å; L600-V613 HydrophobicContact CD1-CG2 4.11Å; L600-V613 HydrophobicContact CD2-CG2 4.28Å; L600-V613 HydrophobicContact CG-CG2 4.26Å; V601-V613 CarbonylContact O-C 3.51Å; V601-V613 WeakPolarHBondContact O-CA 3.39Å; Y602-V613 HydrophobicContact CD2-CG2 4.4Å; Y602-V613 HydrophobicContact CE1-CB 4.41Å; Y602-V613 HydrophobicContact CE1-CG2 4.44Å; Y602-V613 HydrophobicContact CE2-CG2 4.17Å; V613-L621 WeakPolarHBondContact O-CA 3.41Å; V613-R622 HydrophobicContact CG1-CB 4.01Å; V613-R622 PolarHBondContact N-O 3.05Å; V613-R622 PolarHBondContact O-N 2.87Å; V613-L624 HydrophobicContact CB-CD1 4.09Å; V613-L624 HydrophobicContact CG1-CD1 4.34Å; V613-L624 HydrophobicContact CG1-CD2 4.1Å; V613-L624 HydrophobicContact CG1-CG 4.31Å
614L93.5Very high90.4Very high3 Ų353.9 Ų53.92%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-99.9114.9173.3175.266.4000108.5I549 I581 V601 I603 L616 L621I549-L614 HydrophobicContact CD1-CD2 4.46Å; I581-L614 HydrophobicContact CD1-CD1 4.45Å; V601-L614 HydrophobicContact CB-CB 4.23Å; V601-L614 PolarHBondContact N-O 2.9Å; V601-L614 PolarHBondContact O-N 3.07Å; I603-L614 HydrophobicContact CD1-CB 3.91Å; I603-L614 HydrophobicContact CD1-CD2 4.23Å; L614-L616 HydrophobicContact CD1-CD2 4.47Å; L614-L616 HydrophobicContact CD2-CD2 3.78Å; L614-L616 HydrophobicContact CG-CD2 3.93Å; L614-L621 HydrophobicContact CB-CD1 4.05Å; L614-L621 HydrophobicContact CD1-CB 4.48Å; L614-L621 HydrophobicContact CD1-CD1 4.49Å
615D90.8Very high90.2Very high30 Ų3054.8 Ų54.816%0.1627%0.272CS..EExtended strand (participates in β ladder)trans-97.5109.4171.1-175.7-29000108.1L600 H617 R618 H619 T620L600-D615 HydrophobicContact CD2-CB 3.64Å; D615-H617 WeakPolarHBondContact OD1-CB 3.29Å; D615-H617 PolarHBondContact OD1-N 3.29Å; D615-R618 HydrophobicContact CB-CB 4.21Å; D615-R618 PolarHBondContact OD1-N 3.33Å; D615-R618 WeakPolarHBondContact OD2-CD 3.43Å; D615-R618 VanDerWaalsContact OD2-CG 3.26Å; D615-R618 WeakPolarHBondContact OD2-CG 3.43Å; D615-R618 IonicContact OD2-NE 3.95Å; D615-H619 WeakPolarHBondContact O-CA 3.23Å; D615-H619 PolarHBondContact O-N 3.05Å; D615-T620 PolarHBondContact N-O 2.89Å; D615-T620 PolarHBondContact O-N 2.92Å; D615-T620 VanDerWaalsContact O-N 3.12Å
616L85Confident89.9Confident33 Ų3357.7 Ų57.717%0.17329%0.292CS..THydrogen-bonded Turntrans-71.8-30.1-179.2-66.4-173.6000113.2I475 V547 F565 I581 L614 H619I475-L616 HydrophobicContact CD1-CD1 3.27Å; I475-L616 HydrophobicContact CD1-CG 4.15Å; V547-L616 HydrophobicContact CG2-CD1 3.82Å; F565-L616 HydrophobicContact CE1-CD1 3.92Å; F565-L616 HydrophobicContact CE1-CD2 3.71Å; F565-L616 HydrophobicContact CE1-CG 4.49Å; F565-L616 HydrophobicContact CZ-CD2 3.89Å; I581-L616 HydrophobicContact CD1-CD2 3.81Å; L614-L616 HydrophobicContact CD1-CD2 4.47Å; L614-L616 HydrophobicContact CD2-CD2 3.78Å; L614-L616 HydrophobicContact CG-CD2 3.93Å; L616-H619 PolarHBondContact O-CE1 3.02Å
617H82.1Confident89.7Confident159 Ų15957.8 Ų57.874%0.73629%0.293SS*.THydrogen-bonded Turntrans-72.6-40.8179.9-17976.1000110.7D615D615-H617 WeakPolarHBondContact OD1-CB 3.29Å; D615-H617 PolarHBondContact OD1-N 3.29Å
618R85.1Confident89Confident185 Ų18559.5 Ų59.570%0.69830%0.301SS*.THydrogen-bonded Turntrans-87.2-9.1178.5-61-174.6-178.5-144.8-3.3113.6D615 T620D615-R618 HydrophobicContact CB-CB 4.21Å; D615-R618 PolarHBondContact OD1-N 3.33Å; D615-R618 WeakPolarHBondContact OD2-CD 3.43Å; D615-R618 VanDerWaalsContact OD2-CG 3.26Å; D615-R618 WeakPolarHBondContact OD2-CG 3.43Å; D615-R618 IonicContact OD2-NE 3.95Å; R618-T620 HydrophobicContact CB-CG2 4.07Å; R618-T620 PolarHBondContact O-N 3.14Å
619H82.6Confident87.7Confident142 Ų14258.4 Ų58.466%0.65730%0.295SS*.THydrogen-bonded Turntrans51.940.6-171-61.9-74.1000112.9D615 L616D615-H619 WeakPolarHBondContact O-CA 3.23Å; D615-H619 PolarHBondContact O-N 3.05Å; L616-H619 PolarHBondContact O-CE1 3.02Å
620T89.6Confident85.9Confident66 Ų6663.4 Ų63.441%0.40533%0.329SS..EExtended strand (participates in β ladder)trans-116.7136.9-17957.60000111.6D615 R618D615-T620 PolarHBondContact N-O 2.89Å; D615-T620 PolarHBondContact O-N 2.92Å; D615-T620 VanDerWaalsContact O-N 3.12Å; R618-T620 HydrophobicContact CB-CG2 4.07Å; R618-T620 PolarHBondContact O-N 3.14Å
621L92.7Very high83.8Confident65 Ų6564.4 Ų64.434%0.3434%0.344SS..EExtended strand (participates in β ladder)trans-109.7117.2167.6-178.668.6000108.3L583 P584 I603 W605 V613 L614L583-L621 HydrophobicContact CD2-CD2 4.4Å; P584-L621 HydrophobicContact CG-CD2 4.27Å; I603-L621 HydrophobicContact CD1-CD1 4.16Å; W605-L621 HydrophobicContact CH2-CD2 4.44Å; W605-L621 HydrophobicContact CZ2-CD1 4.32Å; W605-L621 HydrophobicContact CZ2-CD2 4.03Å; V613-L621 WeakPolarHBondContact O-CA 3.41Å; L614-L621 HydrophobicContact CB-CD1 4.05Å; L614-L621 HydrophobicContact CD1-CB 4.48Å; L614-L621 HydrophobicContact CD1-CD1 4.49Å
622R93.6Very high81.3Confident150 Ų15066.8 Ų66.857%0.56636%0.359SS*.EExtended strand (participates in β ladder)trans-118.4130.3-178178.6178.864.5-158.1-1.6110.3S612 V613S612-R622 CarbonylContact C-O 3.57Å; S612-R622 WeakPolarHBondContact CA-O 3.38Å; S612-R622 WeakPolarHBondContact CB-O 3.29Å; V613-R622 HydrophobicContact CG1-CB 4.01Å; V613-R622 PolarHBondContact N-O 3.05Å; V613-R622 PolarHBondContact O-N 2.87Å
623S93.2Very high78.5Confident77 Ų7772.6 Ų72.654%0.53840%0.4SS..EExtended strand (participates in β ladder)trans-72.3142.1171.3-169.10000110.9
624L94.3Very high76.2Confident19 Ų1974.5 Ų74.510%0.09941%0.413CS..  trans-106.6-177.5178.2-63.4173.1000110.3Y602 L611 V613 Y677Y602-L624 HydrophobicContact CD1-CD1 3.74Å; Y602-L624 HydrophobicContact CE1-CD1 3.55Å; L611-L624 HydrophobicContact CB-CB 4.37Å; L611-L624 HydrophobicContact CD2-CB 4.39Å; L611-L624 HydrophobicContact CD2-CD1 3.73Å; L611-L624 HydrophobicContact CG-CB 4.46Å; L611-L624 HydrophobicContact CG-CD1 3.89Å; L611-L624 WeakPolarHBondContact O-CB 3.46Å; L611-L624 PolarHBondContact O-N 3.08Å; V613-L624 HydrophobicContact CB-CD1 4.09Å; V613-L624 HydrophobicContact CG1-CD1 4.34Å; V613-L624 HydrophobicContact CG1-CD2 4.1Å; V613-L624 HydrophobicContact CG1-CG 4.31Å; L624-Y677 HydrophobicContact CB-CE2 4.37Å; L624-Y677 HydrophobicContact CD1-CE1 4.18Å; L624-Y677 WeakPolarHBondContact CD1-OH 3.33Å
625A91.3Very high74.1Confident20 Ų2078.2 Ų78.217%0.16544%0.438CS..  trans-57.3138.2-179.400000111.8N682 W684A625-N682 WeakPolarHBondContact CB-O 3.43Å; A625-N682 PolarHBondContact N-OD1 3.37Å; A625-W684 PolarHBondContact O-NE1 2.92Å
626P86.2Confident72.6Confident74 Ų7480.2 Ų80.248%0.48145%0.448SS..  trans-70.3147.6179.629.7-34.6000111V628 W684P626-V628 HydrophobicContact CG-CG2 4.47Å; P626-V628 PolarHBondContact O-N 2.9Å; P626-V628 VanDerWaalsContact O-N 3.17Å; P626-W684 VanDerWaalsContact O-CD1 3.27Å
627L86.1Confident72.1Confident7 Ų781.6 Ų81.64%0.03745%0.454CS..  trans-74.8101.5173.5-17772.2000109.8R639 H675 W684L627-R639 VanDerWaalsContact CD2-NE 3.34Å; L627-H675 HydrophobicContact CD1-CB 3.69Å; L627-W684 HydrophobicContact CB-CD2 4.45Å; L627-W684 HydrophobicContact CD1-CB 4.15Å; L627-W684 HydrophobicContact CD1-CD2 3.38Å; L627-W684 HydrophobicContact CD1-CE3 3.35Å; L627-W684 HydrophobicContact CD1-CG 3.76Å; L627-W684 HydrophobicContact CD1-CH2 4.35Å; L627-W684 HydrophobicContact CD1-CZ2 4.38Å; L627-W684 HydrophobicContact CD1-CZ3 3.86Å
628V70.9Confident72Confident95 Ų9574.9 Ų74.958%0.57643%0.426SS*.  trans-92.7112.5176-171.30000109.3P626 S630P626-V628 HydrophobicContact CG-CG2 4.47Å; P626-V628 PolarHBondContact O-N 2.9Å; P626-V628 VanDerWaalsContact O-N 3.17Å; V628-S630 PolarHBondContact O-N 2.77Å
629S59.4Low72.2Confident16 Ų1666.4 Ų66.411%0.11239%0.394CS..  trans-70.1127.1170.849.90000109.7S631 T632S629-S631 PolarHBondContact O-N 3.42Å; S629-S631 VanDerWaalsContact O-N 3.14Å; S629-T632 PolarHBondContact OG-OG1 2.95Å
630S51Low72.4Confident105 Ų10560.3 Ų60.373%0.73437%0.366SS*.THydrogen-bonded Turntrans-70.4-4.2176.2580000113.7V628V628-S630 PolarHBondContact O-N 2.77Å
631S48.7Very low72.5Confident92 Ų9258.4 Ų58.464%0.64335%0.352SS*.THydrogen-bonded Turntrans-127-0.1-166.854.50000115.9S629S629-S631 PolarHBondContact O-N 3.42Å; S629-S631 VanDerWaalsContact O-N 3.14Å
632T40.9Very low72.5Confident52 Ų5255.6 Ų55.632%0.31934%0.338SS..  trans-136.4141.2175.752.30000111.2S629 S634S629-T632 PolarHBondContact OG-OG1 2.95Å; T632-S634 PolarHBondContact O-N 3.09Å
633S37.7Very low72.5Confident130 Ų13048.5 Ų48.591%0.90931%0.312SS*.SBendtrans-70.26.8179.650.70000114.3
634S46.2Very low72.6Confident44 Ų4445.1 Ų45.131%0.30829%0.288SS..  trans-118.490.9-178.732.90000109.5T632 N636 E637T632-S634 PolarHBondContact O-N 3.09Å; S634-N636 PolarHBondContact O-N 3.1Å; S634-E637 PolarHBondContact OG-OE1 3.19Å
635P49.7Very low72.7Confident82 Ų8244.9 Ų44.953%0.53229%0.288SS..THydrogen-bonded Turntrans-58.1135.7161.225.3-31000108.4
636N58.8Low72.8Confident71 Ų7145.8 Ų45.838%0.3829%0.287SS..THydrogen-bonded Turntrans84.137.2174-49.1-15000118.4T608 S634T608-N636 WeakPolarHBondContact O-CB 3.47Å; S634-N636 PolarHBondContact O-N 3.1Å
637E73.6Confident73Confident63 Ų6342.6 Ų42.629%0.29427%0.267SS..  trans-64.1142.3163.3-76.6171.9-164.300111.2S609 S634 R671S609-E637 VanDerWaalsContact CB-O 3.31Å; S609-E637 WeakPolarHBondContact CB-O 3.42Å; S609-E637 PolarHBondContact OG-O 2.82Å; S634-E637 PolarHBondContact OG-OE1 3.19Å; E637-R671 IonicContact OE2-CZ 3.96Å; E637-R671 IonicContact OE2-NH1 2.69Å; E637-R671 PolarHBondContact OE2-NH1 2.87Å
638A81.5Confident73Confident18 Ų1844.4 Ų44.415%0.14929%0.287CS..  trans-62.8152.6177.100000111.3E606 S607 I640 F657 S658E606-A638 CarbonylContact O-C 3.51Å; E606-A638 WeakPolarHBondContact O-CA 3.3Å; S607-A638 WeakPolarHBondContact O-CB 3.38Å; A638-I640 HydrophobicContact CB-CD1 4.37Å; A638-I640 HydrophobicContact CB-CG1 4.19Å; A638-F657 CarbonylContact C-O 3.53Å; A638-S658 WeakPolarHBondContact CB-O 3.42Å; A638-S658 VanDerWaalsContact O-CA 3.28Å; A638-S658 WeakPolarHBondContact O-CA 3.46Å
639R88.1Confident73.9Confident7 Ų745.5 Ų45.53%0.02629%0.285CS..  trans-136.475.2177.3-76.1-179.8-177-85.8-3.3109.3F604 E606 S609 L627 A642 G655 F657 D673 H675F604-R639 HydrophobicContact CE1-CB 4Å; F604-R639 HydrophobicContact CZ-CB 4.18Å; E606-R639 VanDerWaalsContact CB-O 3.29Å; E606-R639 WeakPolarHBondContact CB-O 3.39Å; E606-R639 WeakPolarHBondContact CG-O 3.47Å; E606-R639 CarbonylContact O-C 3.54Å; E606-R639 PolarHBondContact O-N 3.46Å; S609-R639 WeakPolarHBondContact OG-CD 3.33Å; S609-R639 WeakPolarHBondContact OG-CG 3.42Å; L627-R639 VanDerWaalsContact CD2-NE 3.34Å; R639-A642 HydrophobicContact CB-CB 4.1Å; R639-G655 PolarHBondContact NH1-O 2.88Å; R639-F657 WeakPolarHBondContact CA-O 3.48Å; R639-D673 IonicContact CZ-OD1 3.73Å; R639-D673 IonicContact CZ-OD2 2.78Å; R639-D673 IonicContact NH1-OD1 3.21Å; R639-D673 PolarHBondContact NH1-OD1 2.99Å; R639-D673 IonicContact NH1-OD2 3.16Å; R639-D673 PolarHBondContact NH1-OD2 3.06Å; R639-D673 IonicContact NH2-OD1 3.84Å; R639-D673 PolarHBondContact NH2-OD1 3.36Å; R639-D673 IonicContact NH2-OD2 3.72Å; R639-D673 PolarHBondContact NH2-OD2 3.17Å; R639-H675 PolarHBondContact NH2-CD2 3.26Å; R639-H675 PolarHBondContact NH2-NE2 2.97Å; R639-H675 VanDerWaalsContact NH2-NE2 3.13Å
640I87.8Confident75.5Confident13 Ų1348 Ų487%0.06730%0.295CS..BIsolated β-bridgetrans-85.1132.7-172.9-50.7172.8000110.8Y589 E606 A638 A642 G656 F657 F660Y589-I640 HydrophobicContact CD1-CG2 4Å; Y589-I640 HydrophobicContact CD2-CD1 4.41Å; Y589-I640 HydrophobicContact CD2-CG2 3.76Å; Y589-I640 HydrophobicContact CE1-CG2 4.3Å; Y589-I640 HydrophobicContact CE2-CG2 4.06Å; Y589-I640 HydrophobicContact CG-CG2 3.73Å; E606-I640 WeakPolarHBondContact OE2-CA 3.49Å; A638-I640 HydrophobicContact CB-CD1 4.37Å; A638-I640 HydrophobicContact CB-CG1 4.19Å; I640-A642 VanDerWaalsContact C-N 3.31Å; I640-G656 CarbonylContact O-C 3.54Å; I640-G656 WeakPolarHBondContact O-CA 3.49Å; I640-F657 PolarHBondContact N-O 2.83Å; I640-F657 PolarHBondContact O-N 3.22Å; I640-F660 HydrophobicContact CB-CE2 4.03Å; I640-F660 HydrophobicContact CB-CZ 4.26Å; I640-F660 HydrophobicContact CD1-CD2 3.43Å; I640-F660 VanDerWaalsContact CD1-CD2 3.43Å; I640-F660 HydrophobicContact CD1-CE2 3.32Å; I640-F660 HydrophobicContact CD1-CZ 4.32Å; I640-F660 HydrophobicContact CG1-CE2 4.24Å; I640-F660 HydrophobicContact CG2-CE2 3.61Å; I640-F660 HydrophobicContact CG2-CZ 3.77Å
641H90.6Very high77.6Confident26 Ų2643 Ų4312%0.1226%0.26CS..THydrogen-bonded Turntrans54.944.3-170.6-57.2-57.8000113.2W322 Y589 E606 A697 I698W322-H641 AromaticContact CH2-CE1 3.53Å; W322-H641 AromaticContact CH2-NE2 3.35Å; W322-H641 VanDerWaalsContact CH2-NE2 3.35Å; W322-H641 WeakPolarHBondContact CH2-NE2 3.48Å; W322-H641 AromaticContact CZ3-CE1 3.6Å; W322-H641 AromaticContact CZ3-NE2 3.92Å; Y589-H641 AromaticContact CD1-CE1 3.62Å; Y589-H641 AromaticContact CD1-NE2 3.96Å; Y589-H641 AromaticContact CE1-CE1 3.53Å; Y589-H641 AromaticContact CE1-NE2 3.51Å; E606-H641 VanDerWaalsContact CD-N 3.32Å; E606-H641 PolarHBondContact OE2-N 3.13Å; H641-A697 HydrophobicContact CB-CB 4.41Å; H641-I698 HydrophobicContact CB-CB 4.3Å; H641-I698 HydrophobicContact CB-CG1 3.62Å; H641-I698 PolarHBondContact O-N 3.29Å; H641-I698 VanDerWaalsContact O-N 3.07Å
642A92.9Very high79.8Confident6 Ų639.2 Ų39.25%0.0523%0.232CC..  trans-78155.5171.800000111.2N591 R639 I640 V653 I654N591-A642 PolarHBondContact ND2-O 2.68Å; R639-A642 HydrophobicContact CB-CB 4.1Å; I640-A642 VanDerWaalsContact C-N 3.31Å; A642-V653 HydrophobicContact CB-CG1 4.33Å; A642-I654 WeakPolarHBondContact CB-O 3.44Å
643G93.9Very high82.3Confident2 Ų236.7 Ų36.72%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-81.6140.6170.900000110.9V653 I654 F699 C701G643-V653 VanDerWaalsContact O-CA 3.31Å; G643-V653 WeakPolarHBondContact O-CA 3.4Å; G643-I654 PolarHBondContact N-O 2.99Å; G643-I654 PolarHBondContact O-N 3.29Å; G643-F699 VanDerWaalsContact N-CZ 3.34Å; G643-C701 VanDerWaalsContact CA-CB 3.44Å
644L95.4Very high84.9Confident5 Ų530.7 Ų30.73%0.02617%0.174CC..EExtended strand (participates in β ladder)trans-134.5127.4173.8-174.774.6000109N591 C593 F604 L651 Y652 V653N591-L644 HydrophobicContact CB-CB 3.99Å; N591-L644 HydrophobicContact CB-CD2 4.11Å; N591-L644 WeakPolarHBondContact ND2-CB 3.29Å; N591-L644 PolarHBondContact ND2-N 3.36Å; N591-L644 WeakPolarHBondContact OD1-CB 3.18Å; C593-L644 HydrophobicContact CB-CD2 4.23Å; F604-L644 HydrophobicContact CB-CD1 4.29Å; F604-L644 HydrophobicContact CB-CD2 4.07Å; L644-L651 HydrophobicContact CD1-CD1 3.81Å; L644-L651 HydrophobicContact CD1-CD2 3.98Å; L644-L651 HydrophobicContact CD1-CG 3.78Å; L644-L651 HydrophobicContact CG-CD1 3.95Å; L644-L651 HydrophobicContact CG-CG 4.46Å; L644-Y652 VanDerWaalsContact CA-O 3.29Å; L644-Y652 WeakPolarHBondContact CA-O 3.48Å; L644-V653 HydrophobicContact CD1-CG2 3.42Å; L644-V653 VanDerWaalsContact CD1-CG2 3.42Å
645S95.2Very high87Confident15 Ų1528.6 Ų28.611%0.10516%0.16CC..EExtended strand (participates in β ladder)trans-157.9149.2174.4-145.80000112.7Y652 V702 C703S645-Y652 PolarHBondContact N-O 2.98Å; S645-Y652 PolarHBondContact O-N 3.47Å; S645-V702 WeakPolarHBondContact OG-CA 3.47Å; S645-C703 PolarHBondContact OG-N 3.33Å
646W93.5Very high88.8Confident38 Ų3824.7 Ų24.714%0.14413%0.134CC..EExtended strand (participates in β ladder)trans-77.1135.7169.1-7399.7000110.5A594 H595 Y602 E649 H650 L651 P679 C703A594-W646 PolarHBondContact O-NE1 2.65Å; H595-W646 HydrophobicContact CB-CZ2 4.09Å; H595-W646 AromaticContact CD2-CH2 3.53Å; H595-W646 AromaticContact CD2-CZ2 3.7Å; H595-W646 AromaticContact CD2-CZ3 3.98Å; Y602-W646 AromaticContact CD2-CZ2 3.69Å; Y602-W646 HydrophobicContact CD2-CZ2 3.69Å; Y602-W646 HydrophobicContact CE2-CH2 4.19Å; Y602-W646 AromaticContact CE2-CZ2 3.74Å; Y602-W646 HydrophobicContact CE2-CZ2 3.74Å; Y602-W646 HydrophobicContact CG-CZ2 4.13Å; W646-E649 WeakPolarHBondContact CZ3-O 3.32Å; W646-H650 CarbonylContact C-O 3.53Å; W646-H650 WeakPolarHBondContact CA-O 3.36Å; W646-H650 VanDerWaalsContact CE3-C 3.45Å; W646-L651 HydrophobicContact CD2-CB 4.3Å; W646-L651 HydrophobicContact CD2-CD1 3.98Å; W646-L651 HydrophobicContact CE3-CB 4.12Å; W646-L651 HydrophobicContact CG-CD1 4.11Å; W646-L651 HydrophobicContact CH2-CB 4.11Å; W646-L651 HydrophobicContact CZ2-CB 4.3Å; W646-L651 HydrophobicContact CZ2-CD1 4.3Å; W646-L651 HydrophobicContact CZ3-CB 4.02Å; W646-P679 HydrophobicContact CH2-CB 4.46Å; W646-P679 HydrophobicContact CH2-CG 3.39Å; W646-P679 HydrophobicContact CZ3-CG 3.54Å; W646-C703 WeakPolarHBondContact O-CB 3.49Å
647V91.5Very high90.1Very high8 Ų821.5 Ų21.55%0.04812%0.117CC..EExtended strand (participates in β ladder)trans-132.8104.8170.8-174.80000107.5P283 L285 P304 E649 H650 Y652 C703P283-V647 HydrophobicContact CB-CG1 3.78Å; P283-V647 WeakPolarHBondContact O-CG1 3.45Å; L285-V647 HydrophobicContact CB-CG2 3.9Å; L285-V647 HydrophobicContact CD1-CG2 3.85Å; L285-V647 HydrophobicContact CD2-CG2 4.31Å; L285-V647 HydrophobicContact CG-CG2 4.25Å; P304-V647 HydrophobicContact CG-CG1 3.87Å; V647-E649 PolarHBondContact O-N 3.42Å; V647-H650 PolarHBondContact N-O 2.74Å; V647-H650 PolarHBondContact O-N 3.43Å; V647-Y652 HydrophobicContact CB-CD2 3.73Å; V647-Y652 HydrophobicContact CB-CE2 3.62Å; V647-Y652 HydrophobicContact CG1-CE2 4.48Å; V647-Y652 HydrophobicContact CG2-CD2 3.71Å; V647-Y652 HydrophobicContact CG2-CE2 4.09Å; V647-Y652 HydrophobicContact CG2-CG 4.4Å; V647-C703 HydrophobicContact CG2-CB 4.49Å
648G86.7Confident90.2Very high44 Ų4419.8 Ų19.845%0.45411%0.112SC..THydrogen-bonded Turntrans60-134-16400000110.8H650G648-H650 VanDerWaalsContact C-N 3.27Å; G648-H650 PolarHBondContact O-N 3.29Å
649E88.7Confident89.5Confident118 Ų11824.3 Ų24.355%0.55113%0.13SC*.THydrogen-bonded Turntrans-83.96-178.8-58.1-58.3131.900114.2W646 V647 P679W646-E649 WeakPolarHBondContact CZ3-O 3.32Å; V647-E649 PolarHBondContact O-N 3.42Å; E649-P679 VanDerWaalsContact O-CD 3.31Å; E649-P679 WeakPolarHBondContact O-CD 3.45Å
650H92.9Very high88.2Confident69 Ų6926.5 Ų26.532%0.31914%0.14SC..EExtended strand (participates in β ladder)trans-119.9146.4-172.8-62.287000111.8W646 V647 G648 Y652W646-H650 CarbonylContact C-O 3.53Å; W646-H650 WeakPolarHBondContact CA-O 3.36Å; W646-H650 VanDerWaalsContact CE3-C 3.45Å; V647-H650 PolarHBondContact N-O 2.74Å; V647-H650 PolarHBondContact O-N 3.43Å; G648-H650 VanDerWaalsContact C-N 3.27Å; G648-H650 PolarHBondContact O-N 3.29Å; H650-Y652 HydrophobicContact CB-CD2 4.43Å; H650-Y652 HydrophobicContact CB-CE2 3.71Å
651L95Very high86.4Confident0 Ų030 Ų300%016%0.161CC..EExtended strand (participates in β ladder)trans-102.4126.3-179.9-176.267.8000109.9C593 Y602 L611 L644 W646 C676 Y677C593-L651 HydrophobicContact CB-CD1 4.26Å; Y602-L651 HydrophobicContact CD1-CD2 4.19Å; Y602-L651 HydrophobicContact CG-CD2 4.32Å; L611-L651 HydrophobicContact CD1-CD2 3.97Å; L611-L651 HydrophobicContact CD2-CD2 4.15Å; L644-L651 HydrophobicContact CD1-CD1 3.81Å; L644-L651 HydrophobicContact CD1-CD2 3.98Å; L644-L651 HydrophobicContact CD1-CG 3.78Å; L644-L651 HydrophobicContact CG-CD1 3.95Å; L644-L651 HydrophobicContact CG-CG 4.46Å; W646-L651 HydrophobicContact CD2-CB 4.3Å; W646-L651 HydrophobicContact CD2-CD1 3.98Å; W646-L651 HydrophobicContact CE3-CB 4.12Å; W646-L651 HydrophobicContact CG-CD1 4.11Å; W646-L651 HydrophobicContact CH2-CB 4.11Å; W646-L651 HydrophobicContact CZ2-CB 4.3Å; W646-L651 HydrophobicContact CZ2-CD1 4.3Å; W646-L651 HydrophobicContact CZ3-CB 4.02Å; L651-C676 CarbonylContact O-C 3.6Å; L651-Y677 HydrophobicContact CB-CD1 4.31Å; L651-Y677 HydrophobicContact CD2-CD1 4.5Å; L651-Y677 PolarHBondContact N-O 2.66Å; L651-Y677 PolarHBondContact O-N 2.82Å
652Y94.6Very high84.2Confident12 Ų1231.3 Ų31.35%0.04718%0.183CC..EExtended strand (participates in β ladder)trans-109.5135.8-177.3-72.1-100.6000111.8L285 P304 L644 S645 V647 H650 V674 H675 C676 I687L285-Y652 HydrophobicContact CD2-CD1 4.1Å; L285-Y652 HydrophobicContact CD2-CG 3.91Å; P304-Y652 VanDerWaalsContact CB-OH 3.31Å; P304-Y652 WeakPolarHBondContact CB-OH 3.19Å; P304-Y652 HydrophobicContact CG-CE1 4.2Å; P304-Y652 HydrophobicContact CG-CE2 4.22Å; P304-Y652 WeakPolarHBondContact CG-OH 3.46Å; L644-Y652 VanDerWaalsContact CA-O 3.29Å; L644-Y652 WeakPolarHBondContact CA-O 3.48Å; S645-Y652 PolarHBondContact N-O 2.98Å; S645-Y652 PolarHBondContact O-N 3.47Å; V647-Y652 HydrophobicContact CB-CD2 3.73Å; V647-Y652 HydrophobicContact CB-CE2 3.62Å; V647-Y652 HydrophobicContact CG1-CE2 4.48Å; V647-Y652 HydrophobicContact CG2-CD2 3.71Å; V647-Y652 HydrophobicContact CG2-CE2 4.09Å; V647-Y652 HydrophobicContact CG2-CG 4.4Å; H650-Y652 HydrophobicContact CB-CD2 4.43Å; H650-Y652 HydrophobicContact CB-CE2 3.71Å; Y652-V674 HydrophobicContact CD1-CG1 3.95Å; Y652-H675 CarbonylContact C-O 3.46Å; Y652-H675 VanDerWaalsContact CA-O 3.31Å; Y652-H675 WeakPolarHBondContact CA-O 3.45Å; Y652-C676 HydrophobicContact CD1-CB 4.02Å; Y652-C676 HydrophobicContact CE1-CB 3.66Å; Y652-I687 HydrophobicContact CE1-CD1 4.48Å; Y652-I687 HydrophobicContact CE1-CG1 4.14Å
653V93.8Very high81.7Confident0 Ų039 Ų390%022%0.223CC..EExtended strand (participates in β ladder)trans-115.1130.4170.21760000109.3F604 A642 G643 L644 H675 W684F604-V653 HydrophobicContact CD2-CG2 4.04Å; F604-V653 HydrophobicContact CE1-CG1 4.1Å; F604-V653 HydrophobicContact CE2-CG1 4.35Å; F604-V653 HydrophobicContact CE2-CG2 4.09Å; F604-V653 HydrophobicContact CG-CG2 4.35Å; F604-V653 HydrophobicContact CZ-CG1 3.94Å; F604-V653 HydrophobicContact CZ-CG2 4.44Å; A642-V653 HydrophobicContact CB-CG1 4.33Å; G643-V653 VanDerWaalsContact O-CA 3.31Å; G643-V653 WeakPolarHBondContact O-CA 3.4Å; L644-V653 HydrophobicContact CD1-CG2 3.42Å; L644-V653 VanDerWaalsContact CD1-CG2 3.42Å; V653-H675 PolarHBondContact N-O 2.89Å; V653-H675 PolarHBondContact O-N 2.97Å; V653-W684 HydrophobicContact CB-CH2 4.36Å; V653-W684 HydrophobicContact CB-CZ3 4.27Å; V653-W684 HydrophobicContact CG2-CH2 3.61Å; V653-W684 HydrophobicContact CG2-CZ3 3.96Å
654I92.1Very high79.5Confident4 Ų445.1 Ų45.12%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-132.9139.2-177.3-51.4165000111L285 V287 W309 A642 G643 V674 F699L285-I654 HydrophobicContact CD1-CD1 4.23Å; L285-I654 HydrophobicContact CD2-CD1 3.18Å; L285-I654 HydrophobicContact CD2-CG1 4.05Å; L285-I654 HydrophobicContact CG-CD1 3.61Å; V287-I654 HydrophobicContact CG1-CD1 3.8Å; W309-I654 HydrophobicContact CH2-CD1 3.75Å; W309-I654 HydrophobicContact CZ2-CD1 4.15Å; W309-I654 HydrophobicContact CZ2-CG2 4.46Å; A642-I654 WeakPolarHBondContact CB-O 3.44Å; G643-I654 PolarHBondContact N-O 2.99Å; G643-I654 PolarHBondContact O-N 3.29Å; I654-V674 HydrophobicContact CG1-CG1 4.17Å; I654-V674 HydrophobicContact CG1-CG2 4.23Å; I654-V674 HydrophobicContact CG2-CG2 4.15Å; I654-F699 HydrophobicContact CB-CZ 4.27Å; I654-F699 HydrophobicContact CG2-CZ 4.36Å; I654-F699 WeakPolarHBondContact O-CZ 3.44Å
655G90Very high77.4Confident0 Ų049.4 Ų49.40%027%0.271CS..  trans62.2-142.8165.200000113.9R639 R671 D673R639-G655 PolarHBondContact NH1-O 2.88Å; G655-R671 WeakPolarHBondContact CA-O 3.2Å; G655-D673 PolarHBondContact N-O 3.23Å
656G89.1Confident75.1Confident0 Ų057 Ų570%030%0.297CS..  trans90.8172.7-173.800000113I640 P670 R671 R696I640-G656 CarbonylContact O-C 3.54Å; I640-G656 WeakPolarHBondContact O-CA 3.49Å; G656-P670 WeakPolarHBondContact O-CA 3.47Å; G656-R671 PolarHBondContact O-N 3.24Å; G656-R696 PolarHBondContact N-O 3.18Å
657F85Confident73.2Confident3 Ų357.7 Ų57.71%0.01331%0.307CS..BIsolated β-bridgetrans-93.3138.3177-64.2-58.3000111.3L291 A638 R639 I640 F660 P667 T668 P670 A697 I698L291-F657 HydrophobicContact CB-CZ 4.37Å; L291-F657 HydrophobicContact CD2-CZ 4.04Å; L291-F657 HydrophobicContact CG-CZ 4.33Å; A638-F657 CarbonylContact C-O 3.53Å; R639-F657 WeakPolarHBondContact CA-O 3.48Å; I640-F657 PolarHBondContact N-O 2.83Å; I640-F657 PolarHBondContact O-N 3.22Å; F657-F660 HydrophobicContact CD2-CE1 4.44Å; F657-P667 HydrophobicContact CB-CB 4.23Å; F657-P667 HydrophobicContact CD1-CB 3.25Å; F657-P667 HydrophobicContact CD1-CG 4.31Å; F657-P667 HydrophobicContact CD2-CB 3.6Å; F657-P667 HydrophobicContact CD2-CG 4.05Å; F657-P667 HydrophobicContact CE1-CB 3.19Å; F657-P667 HydrophobicContact CE1-CG 3.88Å; F657-P667 HydrophobicContact CE2-CB 3.53Å; F657-P667 HydrophobicContact CE2-CG 3.57Å; F657-P667 HydrophobicContact CG-CB 3.44Å; F657-P667 VanDerWaalsContact CG-CB 3.44Å; F657-P667 HydrophobicContact CG-CG 4.38Å; F657-P667 HydrophobicContact CZ-CB 3.32Å; F657-P667 HydrophobicContact CZ-CG 3.46Å; F657-P667 VanDerWaalsContact CZ-CG 3.46Å; F657-T668 WeakPolarHBondContact CD1-O 3.44Å; F657-P670 HydrophobicContact CD1-CB 3.85Å; F657-P670 HydrophobicContact CE1-CB 3.74Å; F657-P670 HydrophobicContact CE1-CG 4.16Å; F657-A697 HydrophobicContact CD1-CB 3.81Å; F657-A697 HydrophobicContact CD2-CB 3.39Å; F657-A697 HydrophobicContact CE1-CB 3.7Å; F657-A697 HydrophobicContact CE2-CB 3.28Å; F657-A697 HydrophobicContact CG-CB 3.68Å; F657-A697 HydrophobicContact CZ-CB 3.45Å; F657-A697 VanDerWaalsContact CZ-CB 3.45Å; F657-I698 HydrophobicContact CE2-CD1 3.96Å; F657-I698 HydrophobicContact CE2-CG1 4.03Å
658S76.3Confident71.7Confident27 Ų2758.6 Ų58.619%0.18931%0.312CS..SBendtrans-74.5-35.5-178.761.30000113.5A638 T668A638-S658 WeakPolarHBondContact CB-O 3.42Å; A638-S658 VanDerWaalsContact O-CA 3.28Å; A638-S658 WeakPolarHBondContact O-CA 3.46Å; S658-T668 PolarHBondContact N-OG1 2.92Å; S658-T668 PolarHBondContact OG-OG1 2.8Å
659E67.3Low70.8Confident113 Ų11359.3 Ų59.353%0.52832%0.32SS..  trans-159.8158.817861.5-171.4168.300109.9V661 T668E659-V661 HydrophobicContact CG-CG2 4.32Å; E659-T668 HydrophobicContact CG-CG2 3.23Å; E659-T668 PolarHBondContact N-OG1 2.9Å; E659-T668 VanDerWaalsContact N-OG1 3.08Å; E659-T668 PolarHBondContact O-N 2.94Å; E659-T668 PolarHBondContact O-OG1 2.5Å; E659-T668 WeakPolarHBondContact OE1-CG2 3.36Å
660F60.7Low70.5Confident54 Ų5454.9 Ų54.924%0.23730%0.301CS..EExtended strand (participates in β ladder)trans-99.1122.5166.3-73.9-62.1000108.4Y589 I640 F657 R665 P667Y589-F660 AromaticContact CE2-CE2 3.75Å; Y589-F660 HydrophobicContact CE2-CE2 3.75Å; Y589-F660 AromaticContact CZ-CE2 3.99Å; I640-F660 HydrophobicContact CB-CE2 4.03Å; I640-F660 HydrophobicContact CB-CZ 4.26Å; I640-F660 HydrophobicContact CD1-CD2 3.43Å; I640-F660 VanDerWaalsContact CD1-CD2 3.43Å; I640-F660 HydrophobicContact CD1-CE2 3.32Å; I640-F660 HydrophobicContact CD1-CZ 4.32Å; I640-F660 HydrophobicContact CG1-CE2 4.24Å; I640-F660 HydrophobicContact CG2-CE2 3.61Å; I640-F660 HydrophobicContact CG2-CZ 3.77Å; F657-F660 HydrophobicContact CD2-CE1 4.44Å; F660-R665 HydrophobicContact CB-CB 4.22Å; F660-R665 HydrophobicContact CD1-CB 3.87Å; F660-R665 VanDerWaalsContact CD1-O 3.23Å; F660-R665 WeakPolarHBondContact CD1-O 3.4Å; F660-R665 HydrophobicContact CE1-CB 4.4Å; F660-R665 HydrophobicContact CG-CB 4.04Å; F660-P667 HydrophobicContact CD1-CB 4.49Å; F660-P667 HydrophobicContact CE1-CB 4.44Å; F660-P667 HydrophobicContact CE1-CG 4.28Å
661V49.1Very low70.1Confident85 Ų8553.5 Ų53.552%0.51529%0.293SS..EExtended strand (participates in β ladder)trans-91.5123.3176.7-172.60000109.6E659 R666 T668E659-V661 HydrophobicContact CG-CG2 4.32Å; V661-R666 PolarHBondContact N-O 3.03Å; V661-R666 PolarHBondContact O-N 3.43Å; V661-T668 HydrophobicContact CG2-CG2 3.63Å
662G45.3Very low69.6Low55 Ų5556.8 Ų56.857%0.56731%0.311SS*.THydrogen-bonded Turntrans80.5168.3174.600000115.3D664 R665G662-D664 PolarHBondContact O-N 3.01Å; G662-R665 PolarHBondContact O-N 2.88Å
663D40.8Very low69.1Low168 Ų16857.5 Ų57.590%0.89832%0.315SS*.THydrogen-bonded Turntrans-59-28.1176.6-75.5-27.1000112.4R665D663-R665 PolarHBondContact O-N 3.16Å
664D46.1Very low68.9Low129 Ų12957.5 Ų57.569%0.6932%0.315SS*.THydrogen-bonded Turntrans-70.9-6.6177-69.9-5.2000113.7G662 R666G662-D664 PolarHBondContact O-N 3.01Å; D664-R666 HydrophobicContact CB-CG 4.49Å; D664-R666 PolarHBondContact O-N 2.81Å
665R52.5Low68.9Low95 Ų9557.4 Ų57.436%0.35832%0.315SS..THydrogen-bonded Turntrans52.746.3-178.2-55.8-178-179.1-1710.3113.5R588 Y589 F660 G662 D663 P667R588-R665 VanDerWaalsContact CZ-NH1 3.25Å; Y589-R665 PolarHBondContact OH-NH1 2.99Å; F660-R665 HydrophobicContact CB-CB 4.22Å; F660-R665 HydrophobicContact CD1-CB 3.87Å; F660-R665 VanDerWaalsContact CD1-O 3.23Å; F660-R665 WeakPolarHBondContact CD1-O 3.4Å; F660-R665 HydrophobicContact CE1-CB 4.4Å; F660-R665 HydrophobicContact CG-CB 4.04Å; G662-R665 PolarHBondContact O-N 2.88Å; D663-R665 PolarHBondContact O-N 3.16Å; R665-P667 WeakPolarHBondContact O-CD 3.31Å
666R46.4Very low69.1Low175 Ų17557.7 Ų57.766%0.6632%0.317SS*.EExtended strand (participates in β ladder)trans-71.6122.5173.9-74.8-171.7-172.3-178.74.3108.8V661 D664V661-R666 PolarHBondContact N-O 3.03Å; V661-R666 PolarHBondContact O-N 3.43Å; D664-R666 HydrophobicContact CB-CG 4.49Å; D664-R666 PolarHBondContact O-N 2.81Å
667P52.5Low69.4Low53 Ų5357.8 Ų57.834%0.34432%0.317SS..EExtended strand (participates in β ladder)trans-65.3142.4179.9-10.722.3000111.4F657 F660 R665F657-P667 HydrophobicContact CB-CB 4.23Å; F657-P667 HydrophobicContact CD1-CB 3.25Å; F657-P667 HydrophobicContact CD1-CG 4.31Å; F657-P667 HydrophobicContact CD2-CB 3.6Å; F657-P667 HydrophobicContact CD2-CG 4.05Å; F657-P667 HydrophobicContact CE1-CB 3.19Å; F657-P667 HydrophobicContact CE1-CG 3.88Å; F657-P667 HydrophobicContact CE2-CB 3.53Å; F657-P667 HydrophobicContact CE2-CG 3.57Å; F657-P667 HydrophobicContact CG-CB 3.44Å; F657-P667 VanDerWaalsContact CG-CB 3.44Å; F657-P667 HydrophobicContact CG-CG 4.38Å; F657-P667 HydrophobicContact CZ-CB 3.32Å; F657-P667 HydrophobicContact CZ-CG 3.46Å; F657-P667 VanDerWaalsContact CZ-CG 3.46Å; F660-P667 HydrophobicContact CD1-CB 4.49Å; F660-P667 HydrophobicContact CE1-CB 4.44Å; F660-P667 HydrophobicContact CE1-CG 4.28Å; R665-P667 WeakPolarHBondContact O-CD 3.31Å
668T60.8Low69.8Low27 Ų2759.1 Ų59.117%0.16632%0.324CS..PPolyproline II helixtrans-65.3168.8159.846.80000111.3F657 S658 E659 V661F657-T668 WeakPolarHBondContact CD1-O 3.44Å; S658-T668 PolarHBondContact N-OG1 2.92Å; S658-T668 PolarHBondContact OG-OG1 2.8Å; E659-T668 HydrophobicContact CG-CG2 3.23Å; E659-T668 PolarHBondContact N-OG1 2.9Å; E659-T668 VanDerWaalsContact N-OG1 3.08Å; E659-T668 PolarHBondContact O-N 2.94Å; E659-T668 PolarHBondContact O-OG1 2.5Å; E659-T668 WeakPolarHBondContact OE1-CG2 3.36Å; V661-T668 HydrophobicContact CG2-CG2 3.63Å
669G68.7Low70.5Confident59 Ų5959.3 Ų59.361%0.60833%0.325SS*.PPolyproline II helixtrans-50.6125.317600000110.3
670P80.7Confident71.7Confident24 Ų2459.7 Ų59.716%0.15634%0.335CS..BIsolated β-bridgetrans-65.1158.6-17927.4-33.3000110.5N292 G656 F657 P695 A697N292-P670 HydrophobicContact CB-CG 3.68Å; G656-P670 WeakPolarHBondContact O-CA 3.47Å; F657-P670 HydrophobicContact CD1-CB 3.85Å; F657-P670 HydrophobicContact CE1-CB 3.74Å; F657-P670 HydrophobicContact CE1-CG 4.16Å; P670-P695 HydrophobicContact CB-CB 4.46Å; P670-P695 HydrophobicContact CG-CB 4.07Å; P670-P695 WeakPolarHBondContact O-CB 3.44Å; P670-A697 HydrophobicContact CB-CB 4.3Å
671R84.7Confident73.3Confident40 Ų4060.8 Ų60.815%0.15135%0.346CS..PPolyproline II helixtrans-91.3160.9179.5-51.1177.273.5104.1-1.2111.4E637 G655 G656 D673 P695 R696E637-R671 IonicContact OE2-CZ 3.96Å; E637-R671 IonicContact OE2-NH1 2.69Å; E637-R671 PolarHBondContact OE2-NH1 2.87Å; G655-R671 WeakPolarHBondContact CA-O 3.2Å; G656-R671 PolarHBondContact O-N 3.24Å; R671-D673 VanDerWaalsContact CB-OD1 3.3Å; R671-D673 WeakPolarHBondContact CB-OD1 3.32Å; R671-D673 IonicContact CZ-OD2 3.81Å; R671-D673 IonicContact NE-OD1 2.78Å; R671-D673 PolarHBondContact NE-OD1 2.94Å; R671-D673 VanDerWaalsContact NE-OD1 3.1Å; R671-D673 IonicContact NE-OD2 3.91Å; R671-D673 PolarHBondContact NE-OD2 3.16Å; R671-D673 IonicContact NH2-OD2 3.59Å; R671-D673 PolarHBondContact NH2-OD2 3.5Å; R671-D673 VanDerWaalsContact NH2-OD2 3.07Å; R671-P695 WeakPolarHBondContact O-CA 3.29Å; R671-R696 PolarHBondContact O-N 3.39Å
672D84.6Confident75.4Confident70 Ų7060 Ų6037%0.37434%0.339SS..  trans-122.60.8175.958.4-10.3000113.1T693 P695D672-T693 WeakPolarHBondContact CB-OG1 3.46Å; D672-T693 PolarHBondContact O-OG1 3.03Å; D672-P695 HydrophobicContact CB-CB 4.05Å; D672-P695 HydrophobicContact CB-CG 3.95Å
673D85.5Confident77.7Confident26 Ų2660.8 Ų60.814%0.13933%0.333CS..  trans-75.6145.2-176.760.2-17.7000112.7R639 G655 R671 H675R639-D673 IonicContact CZ-OD1 3.73Å; R639-D673 IonicContact CZ-OD2 2.78Å; R639-D673 IonicContact NH1-OD1 3.21Å; R639-D673 PolarHBondContact NH1-OD1 2.99Å; R639-D673 IonicContact NH1-OD2 3.16Å; R639-D673 PolarHBondContact NH1-OD2 3.06Å; R639-D673 IonicContact NH2-OD1 3.84Å; R639-D673 PolarHBondContact NH2-OD1 3.36Å; R639-D673 IonicContact NH2-OD2 3.72Å; R639-D673 PolarHBondContact NH2-OD2 3.17Å; G655-D673 PolarHBondContact N-O 3.23Å; R671-D673 VanDerWaalsContact CB-OD1 3.3Å; R671-D673 WeakPolarHBondContact CB-OD1 3.32Å; R671-D673 IonicContact CZ-OD2 3.81Å; R671-D673 IonicContact NE-OD1 2.78Å; R671-D673 PolarHBondContact NE-OD1 2.94Å; R671-D673 VanDerWaalsContact NE-OD1 3.1Å; R671-D673 IonicContact NE-OD2 3.91Å; R671-D673 PolarHBondContact NE-OD2 3.16Å; R671-D673 IonicContact NH2-OD2 3.59Å; R671-D673 PolarHBondContact NH2-OD2 3.5Å; R671-D673 VanDerWaalsContact NH2-OD2 3.07Å; D673-H675 IonicContact OD2-CD2 3.1Å; D673-H675 IonicContact OD2-NE2 3.99Å; D673-H675 PolarHBondContact OD2-NE2 2.93Å
674V89.3Confident80.2Confident1 Ų154.6 Ų54.61%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-118.4122-176.8-178.80000108.6F302 W309 Y652 I654 I687 V689F302-V674 HydrophobicContact CE1-CG1 4.45Å; W309-V674 HydrophobicContact CZ2-CG2 3.76Å; Y652-V674 HydrophobicContact CD1-CG1 3.95Å; I654-V674 HydrophobicContact CG1-CG1 4.17Å; I654-V674 HydrophobicContact CG1-CG2 4.23Å; I654-V674 HydrophobicContact CG2-CG2 4.15Å; V674-I687 HydrophobicContact CB-CB 4.25Å; V674-I687 HydrophobicContact CG1-CB 4.14Å; V674-I687 HydrophobicContact CG1-CG1 4.16Å; V674-I687 PolarHBondContact O-N 3.47Å; V674-V689 HydrophobicContact CB-CG2 4.37Å; V674-V689 HydrophobicContact CG2-CG2 4.02Å
675H91.7Very high82.3Confident2 Ų251.1 Ų51.11%0.00928%0.283CS..EExtended strand (participates in β ladder)trans-117.9140177.7-65.3-89.9000110.1L627 R639 Y652 V653 D673 W684 S685L627-H675 HydrophobicContact CD1-CB 3.69Å; R639-H675 PolarHBondContact NH2-CD2 3.26Å; R639-H675 PolarHBondContact NH2-NE2 2.97Å; R639-H675 VanDerWaalsContact NH2-NE2 3.13Å; Y652-H675 CarbonylContact C-O 3.46Å; Y652-H675 VanDerWaalsContact CA-O 3.31Å; Y652-H675 WeakPolarHBondContact CA-O 3.45Å; V653-H675 PolarHBondContact N-O 2.89Å; V653-H675 PolarHBondContact O-N 2.97Å; D673-H675 IonicContact OD2-CD2 3.1Å; D673-H675 IonicContact OD2-NE2 3.99Å; D673-H675 PolarHBondContact OD2-NE2 2.93Å; H675-W684 HydrophobicContact CB-CE3 3.88Å; H675-W684 HydrophobicContact CB-CZ3 3.96Å; H675-S685 WeakPolarHBondContact CA-O 3.39Å
676C93.3Very high84Confident6 Ų649.5 Ų49.54%0.04129%0.285CS..EExtended strand (participates in β ladder)trans-117.3126.5179.8175.10000109.1L651 Y652 W684 S685 I687L651-C676 CarbonylContact O-C 3.6Å; Y652-C676 HydrophobicContact CD1-CB 4.02Å; Y652-C676 HydrophobicContact CE1-CB 3.66Å; C676-W684 CarbonylContact O-C 3.52Å; C676-W684 WeakPolarHBondContact O-CA 3.48Å; C676-S685 PolarHBondContact N-O 3.34Å; C676-S685 PolarHBondContact O-N 3.09Å; C676-S685 PolarHBondContact O-OG 2.98Å; C676-I687 HydrophobicContact CB-CD1 3.76Å; C676-I687 HydrophobicContact CB-CG1 3.9Å
677Y95.3Very high85.9Confident2 Ų242.8 Ų42.81%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-103127.9172.1175.9-99.1000109.8Y602 L611 L624 L651 P679 N682 T683 W684Y602-Y677 AromaticContact CE1-CE1 3.97Å; Y602-Y677 HydrophobicContact CE1-CE1 3.97Å; L611-Y677 HydrophobicContact CD2-CD1 3.63Å; L611-Y677 HydrophobicContact CD2-CD2 3.85Å; L611-Y677 HydrophobicContact CD2-CE1 3.77Å; L611-Y677 HydrophobicContact CD2-CE2 3.97Å; L611-Y677 HydrophobicContact CD2-CG 3.67Å; L624-Y677 HydrophobicContact CB-CE2 4.37Å; L624-Y677 HydrophobicContact CD1-CE1 4.18Å; L624-Y677 WeakPolarHBondContact CD1-OH 3.33Å; L651-Y677 HydrophobicContact CB-CD1 4.31Å; L651-Y677 HydrophobicContact CD2-CD1 4.5Å; L651-Y677 PolarHBondContact N-O 2.66Å; L651-Y677 PolarHBondContact O-N 2.82Å; Y677-P679 HydrophobicContact CD1-CG 4.18Å; Y677-P679 HydrophobicContact CE1-CB 4.05Å; Y677-P679 HydrophobicContact CE1-CG 4.02Å; Y677-P679 WeakPolarHBondContact O-CD 3.35Å; Y677-N682 PolarHBondContact OH-OD1 3.05Å; Y677-T683 WeakPolarHBondContact CA-O 3.44Å; Y677-T683 WeakPolarHBondContact CD2-O 3.27Å; Y677-W684 AromaticContact CD2-CD1 3.97Å; Y677-W684 AromaticContact CD2-CD2 3.98Å; Y677-W684 HydrophobicContact CD2-CD2 3.98Å; Y677-W684 AromaticContact CD2-CE2 3.65Å; Y677-W684 HydrophobicContact CD2-CG 4.2Å; Y677-W684 HydrophobicContact CD2-CZ2 4.1Å; Y677-W684 AromaticContact CD2-NE1 3.62Å; Y677-W684 HydrophobicContact CG-CD2 4.38Å; Y677-W684 HydrophobicContact CG-CH2 4.47Å; Y677-W684 HydrophobicContact CG-CZ2 4.19Å
678D93.9Very high87.3Confident30 Ų3048.7 Ų48.716%0.1628%0.282CS..EExtended strand (participates in β ladder)trans-99.6111.5173.5175.21000109.5T680 T681 N682 T683D678-T680 VanDerWaalsContact C-N 3.25Å; D678-T680 VanDerWaalsContact CG-OG1 3.29Å; D678-T680 PolarHBondContact O-N 2.88Å; D678-T680 WeakPolarHBondContact OD1-CB 3.49Å; D678-T680 PolarHBondContact OD1-N 3.1Å; D678-T680 PolarHBondContact OD1-OG1 3.18Å; D678-T680 PolarHBondContact OD2-OG1 2.85Å; D678-T681 WeakPolarHBondContact CB-OG1 3.34Å; D678-T681 PolarHBondContact OD1-N 2.54Å; D678-T681 WeakPolarHBondContact OD2-CB 3.22Å; D678-T681 VanDerWaalsContact OD2-CG2 3.22Å; D678-T681 WeakPolarHBondContact OD2-CG2 3.26Å; D678-T681 PolarHBondContact OD2-OG1 2.91Å; D678-N682 VanDerWaalsContact O-CA 3.27Å; D678-N682 WeakPolarHBondContact O-CA 3.35Å; D678-N682 PolarHBondContact O-N 2.82Å; D678-T683 PolarHBondContact N-O 2.79Å; D678-T683 PolarHBondContact O-N 3.48Å
679P91.9Very high88.3Confident32 Ų3249.1 Ų49.121%0.20829%0.285CS..THydrogen-bonded Turntrans-65.9-24.9179-17.730.7000114.3W646 E649 Y677W646-P679 HydrophobicContact CH2-CB 4.46Å; W646-P679 HydrophobicContact CH2-CG 3.39Å; W646-P679 HydrophobicContact CZ3-CG 3.54Å; E649-P679 VanDerWaalsContact O-CD 3.31Å; E649-P679 WeakPolarHBondContact O-CD 3.45Å; Y677-P679 HydrophobicContact CD1-CG 4.18Å; Y677-P679 HydrophobicContact CE1-CB 4.05Å; Y677-P679 HydrophobicContact CE1-CG 4.02Å; Y677-P679 WeakPolarHBondContact O-CD 3.35Å
680T92Very high88.6Confident121 Ų12152.1 Ų52.174%0.74229%0.286SS*.THydrogen-bonded Turntrans-75.3-41.1-176.769.70000111.2D678D678-T680 VanDerWaalsContact C-N 3.25Å; D678-T680 VanDerWaalsContact CG-OG1 3.29Å; D678-T680 PolarHBondContact O-N 2.88Å; D678-T680 WeakPolarHBondContact OD1-CB 3.49Å; D678-T680 PolarHBondContact OD1-N 3.1Å; D678-T680 PolarHBondContact OD1-OG1 3.18Å; D678-T680 PolarHBondContact OD2-OG1 2.85Å
681T93.8Very high88.5Confident77 Ų7753.9 Ų53.947%0.47229%0.294SS..THydrogen-bonded Turntrans-93.1-14.2177.659.80000113D678 T683D678-T681 WeakPolarHBondContact CB-OG1 3.34Å; D678-T681 PolarHBondContact OD1-N 2.54Å; D678-T681 WeakPolarHBondContact OD2-CB 3.22Å; D678-T681 VanDerWaalsContact OD2-CG2 3.22Å; D678-T681 WeakPolarHBondContact OD2-CG2 3.26Å; D678-T681 PolarHBondContact OD2-OG1 2.91Å; T681-T683 PolarHBondContact OG1-OG1 3.3Å
682N93.9Very high87.7Confident68 Ų6857.6 Ų57.636%0.36432%0.322SS..THydrogen-bonded Turntrans53.352.4-170.8-179.437.8000110.7A625 Y677 D678A625-N682 WeakPolarHBondContact CB-O 3.43Å; A625-N682 PolarHBondContact N-OD1 3.37Å; Y677-N682 PolarHBondContact OH-OD1 3.05Å; D678-N682 VanDerWaalsContact O-CA 3.27Å; D678-N682 WeakPolarHBondContact O-CA 3.35Å; D678-N682 PolarHBondContact O-N 2.82Å
683T93.7Very high87.2Confident71 Ų7154.8 Ų54.844%0.43631%0.307SS..EExtended strand (participates in β ladder)trans-133.6155.6-179.666.10000112.4Y677 D678 T681Y677-T683 WeakPolarHBondContact CA-O 3.44Å; Y677-T683 WeakPolarHBondContact CD2-O 3.27Å; D678-T683 PolarHBondContact N-O 2.79Å; D678-T683 PolarHBondContact O-N 3.48Å; T681-T683 PolarHBondContact OG1-OG1 3.3Å
684W92.9Very high87.1Confident39 Ų3955.8 Ų55.815%0.14831%0.314CS..EExtended strand (participates in β ladder)trans-105.2143.1172.1-7396000110.7L611 A625 P626 L627 V653 H675 C676 Y677L611-W684 HydrophobicContact CB-CZ2 3.99Å; L611-W684 HydrophobicContact CD2-CH2 4.46Å; L611-W684 HydrophobicContact CD2-CZ2 3.8Å; L611-W684 HydrophobicContact CG-CZ2 4.37Å; A625-W684 PolarHBondContact O-NE1 2.92Å; P626-W684 VanDerWaalsContact O-CD1 3.27Å; L627-W684 HydrophobicContact CB-CD2 4.45Å; L627-W684 HydrophobicContact CD1-CB 4.15Å; L627-W684 HydrophobicContact CD1-CD2 3.38Å; L627-W684 HydrophobicContact CD1-CE3 3.35Å; L627-W684 HydrophobicContact CD1-CG 3.76Å; L627-W684 HydrophobicContact CD1-CH2 4.35Å; L627-W684 HydrophobicContact CD1-CZ2 4.38Å; L627-W684 HydrophobicContact CD1-CZ3 3.86Å; V653-W684 HydrophobicContact CB-CH2 4.36Å; V653-W684 HydrophobicContact CB-CZ3 4.27Å; V653-W684 HydrophobicContact CG2-CH2 3.61Å; V653-W684 HydrophobicContact CG2-CZ3 3.96Å; H675-W684 HydrophobicContact CB-CE3 3.88Å; H675-W684 HydrophobicContact CB-CZ3 3.96Å; C676-W684 CarbonylContact O-C 3.52Å; C676-W684 WeakPolarHBondContact O-CA 3.48Å; Y677-W684 AromaticContact CD2-CD1 3.97Å; Y677-W684 AromaticContact CD2-CD2 3.98Å; Y677-W684 HydrophobicContact CD2-CD2 3.98Å; Y677-W684 AromaticContact CD2-CE2 3.65Å; Y677-W684 HydrophobicContact CD2-CG 4.2Å; Y677-W684 HydrophobicContact CD2-CZ2 4.1Å; Y677-W684 AromaticContact CD2-NE1 3.62Å; Y677-W684 HydrophobicContact CG-CD2 4.38Å; Y677-W684 HydrophobicContact CG-CH2 4.47Å; Y677-W684 HydrophobicContact CG-CZ2 4.19Å
685S90.3Very high87Confident55 Ų5558 Ų5839%0.38533%0.328SS..EExtended strand (participates in β ladder)trans-128.2135.5169.759.80000110.2H675 C676H675-S685 WeakPolarHBondContact CA-O 3.39Å; C676-S685 PolarHBondContact N-O 3.34Å; C676-S685 PolarHBondContact O-N 3.09Å; C676-S685 PolarHBondContact O-OG 2.98Å
686C88.3Confident86.9Confident61 Ų6158.1 Ų58.141%0.41233%0.329SS..EExtended strand (participates in β ladder)trans-82.9123.5170.4-176.70000108.2K688C686-K688 PolarHBondContact O-N 2.9Å
687I86.3Confident86.8Confident34 Ų3457.8 Ų57.817%0.17433%0.327CS..  trans-84.4117.7-178.5-56.5-63.5000108.8F302 Y652 V674 C676 V689F302-I687 HydrophobicContact CE1-CG2 4.22Å; F302-I687 HydrophobicContact CZ-CG2 3.58Å; Y652-I687 HydrophobicContact CE1-CD1 4.48Å; Y652-I687 HydrophobicContact CE1-CG1 4.14Å; V674-I687 HydrophobicContact CB-CB 4.25Å; V674-I687 HydrophobicContact CG1-CB 4.14Å; V674-I687 HydrophobicContact CG1-CG1 4.16Å; V674-I687 PolarHBondContact O-N 3.47Å; C676-I687 HydrophobicContact CB-CD1 3.76Å; C676-I687 HydrophobicContact CB-CG1 3.9Å; I687-V689 PolarHBondContact O-N 2.78Å
688K82.3Confident86.5Confident177 Ų17758.9 Ų58.977%0.7733%0.332SS*.  trans-74.898.7175.3-171.6179.2-179.8-176.40109.4C686C686-K688 PolarHBondContact O-N 2.9Å
689V80.8Confident86.5Confident36 Ų3658.5 Ų58.522%0.21833%0.329CS..  trans-78132.4176.5-169.70000109.9F302 T307 V674 I687 N691F302-V689 HydrophobicContact CE2-CG1 4.33Å; F302-V689 HydrophobicContact CE2-CG2 4.24Å; T307-V689 WeakPolarHBondContact O-CA 3.42Å; V674-V689 HydrophobicContact CB-CG2 4.37Å; V674-V689 HydrophobicContact CG2-CG2 4.02Å; I687-V689 PolarHBondContact O-N 2.78Å; V689-N691 WeakPolarHBondContact CG1-O 3.36Å
690L74.8Confident86.6Confident122 Ų12257.3 Ų57.364%0.63932%0.323SS*.SBendtrans-77.5-21.1-177.3-63.1178.7000113.5T307 V308T307-L690 PolarHBondContact O-N 3.06Å; T307-L690 WeakPolarHBondContact OG1-CD1 3.35Å; T307-L690 WeakPolarHBondContact OG1-CG 3.38Å; V308-L690 HydrophobicContact CG2-CB 3.9Å; V308-L690 HydrophobicContact CG2-CD1 3.92Å; V308-L690 HydrophobicContact CG2-CG 4.36Å
691N78.5Confident86.8Confident61 Ų6152.5 Ų52.533%0.32629%0.294SS..SBendtrans-128.6157.6175.266.5-15.2000111.9V308 W309 V689V308-N691 WeakPolarHBondContact CG1-ND2 3.44Å; W309-N691 PolarHBondContact N-OD1 2.83Å; W309-N691 PolarHBondContact O-ND2 2.86Å; V689-N691 WeakPolarHBondContact CG1-O 3.36Å
692T67.7Low86.9Confident119 Ų11949.6 Ų49.673%0.7328%0.276SS*.PPolyproline II helixtrans-72.5133.1179.953.60000111
693T75.7Confident86.9Confident11 Ų1147.9 Ų47.97%0.06727%0.269CS..PPolyproline II helixtrans-81.9162163.781.90000109.8W309 D672 P695W309-T693 HydrophobicContact CD2-CG2 3.59Å; W309-T693 HydrophobicContact CG-CG2 3.52Å; W309-T693 HydrophobicContact CZ2-CG2 3.92Å; D672-T693 WeakPolarHBondContact CB-OG1 3.46Å; D672-T693 PolarHBondContact O-OG1 3.03Å; T693-P695 VanDerWaalsContact O-CD 3.23Å; T693-P695 WeakPolarHBondContact O-CD 3.46Å
694V83.6Confident86.8Confident47 Ų4744.5 Ų44.529%0.28525%0.249SC..PPolyproline II helixtrans-74.4116.9166.2-177.80000107.2N292 L296 R696N292-V694 WeakPolarHBondContact ND2-CG1 3.27Å; L296-V694 HydrophobicContact CD1-CG1 3.7Å; L296-V694 HydrophobicContact CD2-CG1 4.33Å; V694-R696 WeakPolarHBondContact O-CG 3.3Å; V694-R696 PolarHBondContact O-N 3Å; V694-R696 PolarHBondContact O-NE 3.1Å; V694-R696 VanDerWaalsContact O-NE 3.13Å
695P87.2Confident86.3Confident46 Ų4646.1 Ų46.130%0.29926%0.26SS..PPolyproline II helixtrans-59.1131.3176.8-15.827.5000109.4N292 P670 R671 D672 T693N292-P695 WeakPolarHBondContact CB-O 3.29Å; P670-P695 HydrophobicContact CB-CB 4.46Å; P670-P695 HydrophobicContact CG-CB 4.07Å; P670-P695 WeakPolarHBondContact O-CB 3.44Å; R671-P695 WeakPolarHBondContact O-CA 3.29Å; D672-P695 HydrophobicContact CB-CB 4.05Å; D672-P695 HydrophobicContact CB-CG 3.95Å; T693-P695 VanDerWaalsContact O-CD 3.23Å; T693-P695 WeakPolarHBondContact O-CD 3.46Å
696R89.7Confident85.7Confident5 Ų546.9 Ų46.92%0.01926%0.258CS..  trans-154.2153.8-171.361.5-178.675.8-150.113.1113.2G289 L296 C298 G656 R671 V694 F699G289-R696 PolarHBondContact O-NH1 3.3Å; L296-R696 HydrophobicContact CD1-CB 4.05Å; C298-R696 PolarHBondContact O-NH1 2.83Å; C298-R696 PolarHBondContact SG-NH2 2.8Å; G656-R696 PolarHBondContact N-O 3.18Å; R671-R696 PolarHBondContact O-N 3.39Å; V694-R696 WeakPolarHBondContact O-CG 3.3Å; V694-R696 PolarHBondContact O-N 3Å; V694-R696 PolarHBondContact O-NE 3.1Å; V694-R696 VanDerWaalsContact O-NE 3.13Å; R696-F699 HydrophobicContact CB-CD1 4.12Å; R696-F699 HydrophobicContact CG-CB 4.44Å; R696-F699 HydrophobicContact CG-CD1 3.61Å; R696-F699 HydrophobicContact CG-CD2 4.3Å; R696-F699 HydrophobicContact CG-CE1 3.82Å; R696-F699 HydrophobicContact CG-CE2 4.48Å; R696-F699 HydrophobicContact CG-CG 3.88Å; R696-F699 HydrophobicContact CG-CZ 4.25Å; R696-F699 VanDerWaalsContact O-CE1 3.27Å; R696-F699 WeakPolarHBondContact O-CE1 3.2Å
697A89.9Confident85.6Confident0 Ų046.2 Ų46.20%025%0.251CS..BIsolated β-bridgetrans-139.4168169.200000109.7G290 L291 H641 F657 P670 F699G290-A697 CarbonylContact C-O 3.59Å; G290-A697 WeakPolarHBondContact CA-O 3.15Å; L291-A697 PolarHBondContact N-O 2.94Å; L291-A697 PolarHBondContact O-N 3.33Å; L291-A697 VanDerWaalsContact O-N 3.13Å; H641-A697 HydrophobicContact CB-CB 4.41Å; F657-A697 HydrophobicContact CD1-CB 3.81Å; F657-A697 HydrophobicContact CD2-CB 3.39Å; F657-A697 HydrophobicContact CE1-CB 3.7Å; F657-A697 HydrophobicContact CE2-CB 3.28Å; F657-A697 HydrophobicContact CG-CB 3.68Å; F657-A697 HydrophobicContact CZ-CB 3.45Å; F657-A697 VanDerWaalsContact CZ-CB 3.45Å; P670-A697 HydrophobicContact CB-CB 4.3Å; A697-F699 VanDerWaalsContact C-N 3.26Å; A697-F699 VanDerWaalsContact CA-CD1 3.49Å; A697-F699 PolarHBondContact O-N 2.92Å
698I90Very high85.6Confident24 Ų2446.8 Ų46.812%0.12326%0.255CS..SBendtrans56.540.7-178.7-41.6171.4000111.7G290 L291 W322 H641 F657G290-I698 WeakPolarHBondContact CA-O 3.43Å; L291-I698 HydrophobicContact CB-CD1 4.35Å; L291-I698 HydrophobicContact CD2-CD1 3.97Å; W322-I698 HydrophobicContact CD2-CG2 3.78Å; W322-I698 HydrophobicContact CE3-CG2 3.78Å; W322-I698 HydrophobicContact CG-CG2 4.37Å; W322-I698 HydrophobicContact CH2-CD1 4.14Å; W322-I698 HydrophobicContact CH2-CG1 4.47Å; W322-I698 HydrophobicContact CH2-CG2 4.27Å; W322-I698 HydrophobicContact CZ2-CD1 3.72Å; W322-I698 HydrophobicContact CZ2-CG1 4.48Å; W322-I698 HydrophobicContact CZ2-CG2 4.23Å; W322-I698 HydrophobicContact CZ3-CG2 4.03Å; H641-I698 HydrophobicContact CB-CB 4.3Å; H641-I698 HydrophobicContact CB-CG1 3.62Å; H641-I698 PolarHBondContact O-N 3.29Å; H641-I698 VanDerWaalsContact O-N 3.07Å; F657-I698 HydrophobicContact CE2-CD1 3.96Å; F657-I698 HydrophobicContact CE2-CG1 4.03Å
699F93.3Very high85.8Confident22 Ų2239.6 Ų39.610%0.09623%0.226CC..  trans-113.2161-177.560.4-81.3000110.7V287 L288 G289 G643 I654 R696 A697 C701V287-F699 HydrophobicContact CB-CD2 3.8Å; V287-F699 HydrophobicContact CB-CE2 3.93Å; V287-F699 HydrophobicContact CG1-CD2 4Å; V287-F699 HydrophobicContact CG1-CE2 3.61Å; L288-F699 WeakPolarHBondContact O-CB 3.46Å; G289-F699 WeakPolarHBondContact O-CB 3.44Å; G643-F699 VanDerWaalsContact N-CZ 3.34Å; I654-F699 HydrophobicContact CB-CZ 4.27Å; I654-F699 HydrophobicContact CG2-CZ 4.36Å; I654-F699 WeakPolarHBondContact O-CZ 3.44Å; R696-F699 HydrophobicContact CB-CD1 4.12Å; R696-F699 HydrophobicContact CG-CB 4.44Å; R696-F699 HydrophobicContact CG-CD1 3.61Å; R696-F699 HydrophobicContact CG-CD2 4.3Å; R696-F699 HydrophobicContact CG-CE1 3.82Å; R696-F699 HydrophobicContact CG-CE2 4.48Å; R696-F699 HydrophobicContact CG-CG 3.88Å; R696-F699 HydrophobicContact CG-CZ 4.25Å; R696-F699 VanDerWaalsContact O-CE1 3.27Å; R696-F699 WeakPolarHBondContact O-CE1 3.2Å; A697-F699 VanDerWaalsContact C-N 3.26Å; A697-F699 VanDerWaalsContact CA-CD1 3.49Å; A697-F699 PolarHBondContact O-N 2.92Å; F699-C701 HydrophobicContact CD2-CB 4.34Å; F699-C701 HydrophobicContact CE2-CB 3.98Å
700G94.4Very high86Confident8 Ų839.8 Ų39.88%0.08223%0.226CC..EExtended strand (participates in β ladder)trans-75.1135.2168.700000110.4V287 L288V287-G700 VanDerWaalsContact CA-O 3.28Å; V287-G700 WeakPolarHBondContact CA-O 3.35Å; L288-G700 WeakPolarHBondContact CD2-O 3.46Å; L288-G700 PolarHBondContact N-O 2.92Å; L288-G700 PolarHBondContact O-N 2.77Å
701C95.7Very high86.8Confident20 Ų2034.6 Ų34.614%0.13520%0.201CC..EExtended strand (participates in β ladder)trans-132.7117.7175-172.50000109V286 G643 F699V286-C701 WeakPolarHBondContact O-CA 3.14Å; G643-C701 VanDerWaalsContact CA-CB 3.44Å; F699-C701 HydrophobicContact CD2-CB 4.34Å; F699-C701 HydrophobicContact CE2-CB 3.98Å
702V95.5Very high87.3Confident16 Ų1632.9 Ų32.910%0.09719%0.192CC..EExtended strand (participates in β ladder)trans-147.3163.1-177.1-650000111.3V286 V325 V327 L332 S645V286-V702 HydrophobicContact CB-CG2 4.2Å; V286-V702 PolarHBondContact N-O 3.14Å; V286-V702 PolarHBondContact O-N 3.43Å; V325-V702 HydrophobicContact CB-CG1 4.18Å; V325-V702 HydrophobicContact CG1-CG1 3.6Å; V325-V702 HydrophobicContact CG1-CG2 4.16Å; V327-V702 HydrophobicContact CG2-CB 3.65Å; V327-V702 HydrophobicContact CG2-CG1 4.03Å; V327-V702 HydrophobicContact CG2-CG2 3.64Å; L332-V702 HydrophobicContact CD1-CG2 3.46Å; L332-V702 VanDerWaalsContact CD1-CG2 3.46Å; L332-V702 HydrophobicContact CG-CG2 4.22Å; S645-V702 WeakPolarHBondContact OG-CA 3.47Å
703C94Very high88.7Confident31 Ų3126.7 Ų26.721%0.20915%0.154CC..EExtended strand (participates in β ladder)trans-98.4132.9169-175.20000110.9T284 S645 W646 V647T284-C703 WeakPolarHBondContact O-CA 3.37Å; S645-C703 PolarHBondContact OG-N 3.33Å; W646-C703 WeakPolarHBondContact O-CB 3.49Å; V647-C703 HydrophobicContact CG2-CB 4.49Å
704L91.1Very high89.7Confident1 Ų127.9 Ų27.91%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-121.4147168.1-72-178.4000109.3T284 V286 V327 L332 Y350 P352 M706T284-L704 WeakPolarHBondContact CA-O 3.49Å; T284-L704 WeakPolarHBondContact CB-O 3.21Å; T284-L704 PolarHBondContact N-O 3.33Å; T284-L704 PolarHBondContact O-N 2.92Å; T284-L704 VanDerWaalsContact O-O 3.13Å; V286-L704 HydrophobicContact CG2-CB 4.02Å; V286-L704 HydrophobicContact CG2-CD1 3.96Å; V286-L704 HydrophobicContact CG2-CG 4.04Å; V327-L704 HydrophobicContact CB-CD2 4.35Å; V327-L704 HydrophobicContact CG1-CD2 3.59Å; V327-L704 HydrophobicContact CG2-CD2 3.76Å; V327-L704 HydrophobicContact CG2-CG 4.49Å; L332-L704 HydrophobicContact CB-CD1 4.03Å; L332-L704 HydrophobicContact CB-CD2 4.23Å; L332-L704 HydrophobicContact CD1-CD1 4.19Å; Y350-L704 HydrophobicContact CD1-CD1 4.17Å; Y350-L704 HydrophobicContact CE1-CD1 4.36Å; P352-L704 HydrophobicContact CG-CD1 4.4Å; L704-M706 HydrophobicContact CB-CG 3.77Å; L704-M706 HydrophobicContact CB-SD 4.32Å; L704-M706 HydrophobicContact CD1-SD 4.25Å; L704-M706 PolarHBondContact O-N 3.25Å
705N83.3Confident90.2Very high72 Ų7226.3 Ų26.339%0.38515%0.15SC..EExtended strand (participates in β ladder)trans-83.898166.6-66.7-23.2000107.5K281 H282 N330K281-N705 HydrophobicContact CB-CB 3.83Å; K281-N705 HydrophobicContact CD-CB 4.42Å; H282-N705 WeakPolarHBondContact O-CA 3.27Å; N330-N705 PolarHBondContact ND2-O 3.45Å; N330-N705 WeakPolarHBondContact OD1-CA 3.28Å; N330-N705 WeakPolarHBondContact OD1-CB 3.34Å; N330-N705 PolarHBondContact OD1-N 3.22Å; N330-N705 PolarHBondContact OD1-O 2.74Å
706M78.3Confident90.5Very high71 Ų7124.5 Ų24.535%0.3514%0.137SC..  trans-1060-177.1-68.9-164.1-66.600112.4K281 H282 T284 V286 P352 L704K281-M706 CarbonylContact C-O 3.54Å; K281-M706 VanDerWaalsContact CA-O 3.27Å; K281-M706 WeakPolarHBondContact CA-O 3.22Å; H282-M706 PolarHBondContact N-O 3.09Å; H282-M706 PolarHBondContact O-N 2.96Å; H282-M706 VanDerWaalsContact O-N 3.07Å; T284-M706 HydrophobicContact CG2-CE 3.24Å; V286-M706 HydrophobicContact CG2-CE 3.34Å; V286-M706 HydrophobicContact CG2-SD 4.1Å; P352-M706 HydrophobicContact CB-CG 3.75Å; P352-M706 HydrophobicContact CB-SD 4.18Å; L704-M706 HydrophobicContact CB-CG 3.77Å; L704-M706 HydrophobicContact CB-SD 4.32Å; L704-M706 HydrophobicContact CD1-SD 4.25Å; L704-M706 PolarHBondContact O-N 3.25Å

Retrieved 706 of 706 residues in 736.7 ms (Link to these results)

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