A0A060VWH4_ONCMY Loading...

Cleavage and polyadenylation specificity factor subunit 3

AlphaFold DB , UniProt , Accession A0A060VWH4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene cpsf3, Length 690 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
1M36.6Very low41.2Very low246 Ų246156.2 Ų156.2100%1.21285%0.85SS**  0990-74.5-143.3-87.400108.6A3M1-A3 PolarHBondContact O-N 3.12Å
2A33Very low43.6Very low103 Ų103149.9 Ų149.985%0.85182%0.823SS**  trans-82.1111.1174.800000108.2K4A2-K4 PolarHBondContact O-N 2.83Å; A2-K4 VanDerWaalsContact O-N 3.12Å
3A38.4Very low45.6Very low100 Ų100143.4 Ų143.483%0.82680%0.801SS**  trans-68.5107.1171.900000108.3M1 R5M1-A3 PolarHBondContact O-N 3.12Å; A3-R5 PolarHBondContact O-N 3.06Å
4K39.9Very low47.4Very low210 Ų210139 Ų13991%0.91377%0.771SS**  trans-58105.6162.7-91.4179.4170.5178.30107.4A2 K6A2-K4 PolarHBondContact O-N 2.83Å; A2-K4 VanDerWaalsContact O-N 3.12Å; K4-K6 PolarHBondContact O-N 2.57Å
5R37.3Very low49Very low245 Ų245134.1 Ų134.193%0.92574%0.74SS**PPolyproline II helixtrans-53.9118.9159.2-95.9180171.2172.8-3.7106.6A3 A7A3-R5 PolarHBondContact O-N 3.06Å; R5-A7 PolarHBondContact O-N 3.19Å
6K36.3Very low51.1Low201 Ų201127.6 Ų127.687%0.87471%0.708SS**PPolyproline II helixtrans-55.7121.6160.4-91.2179.5170.2-179.40106K4 D8K4-K6 PolarHBondContact O-N 2.57Å; K6-D8 PolarHBondContact O-N 3.43Å
7A37.8Very low53.2Low86 Ų86123.5 Ų123.571%0.71168%0.684SS**PPolyproline II helixtrans-62.1118.7162.400000106.2R5 L9R5-A7 PolarHBondContact O-N 3.19Å; A7-L9 PolarHBondContact O-N 2.97Å
8D39.6Very low55.4Low158 Ų158122.7 Ų122.785%0.84567%0.674SS**  trans-58.4109.6161.6-80.1-36000105.8K6 S10K6-D8 PolarHBondContact O-N 3.43Å; D8-S10 PolarHBondContact O-N 2.98Å
9L41.1Very low57.6Low167 Ų167116.3 Ų116.387%0.87464%0.639SS**  trans-65.690.2169.2-78.2154.9000105.9A7 V11A7-L9 PolarHBondContact O-N 2.97Å; L9-V11 PolarHBondContact O-N 2.83Å; L9-V11 VanDerWaalsContact O-N 3.09Å
10S52.3Low59.6Low106 Ų106112.2 Ų112.274%0.74162%0.616SS**  trans-60.7114.3170.950.50000107.4D8 P12D8-S10 PolarHBondContact O-N 2.98Å; S10-P12 WeakPolarHBondContact O-CD 3.01Å
11V60.5Low61.5Low96 Ų96106.9 Ų106.958%0.58259%0.587SS**  trans-58.3125.1170.5179.90000106.2L9 A13 E15L9-V11 PolarHBondContact O-N 2.83Å; L9-V11 VanDerWaalsContact O-N 3.09Å; V11-A13 PolarHBondContact O-N 3.03Å; V11-E15 HydrophobicContact CG1-CB 3.66Å
12P70.6Confident64.4Low81 Ų8197.9 Ų97.953%0.52654%0.539SS..  trans-51.8142176.4-26.133.7000110.2S10 E14 E15 S16S10-P12 WeakPolarHBondContact O-CD 3.01Å; P12-E14 PolarHBondContact O-N 2.94Å; P12-E15 HydrophobicContact CB-CB 4.28Å; P12-E15 HydrophobicContact CB-CG 4.15Å; P12-E15 HydrophobicContact CG-CG 4.31Å; P12-E15 WeakPolarHBondContact O-CA 3.42Å; P12-E15 WeakPolarHBondContact O-CB 3.48Å; P12-E15 PolarHBondContact O-N 2.91Å; P12-S16 PolarHBondContact O-N 3.36Å
13A69.8Low67.5Low65 Ų6593 Ų9354%0.53750%0.499SS..G310 helixtrans-55.4-32.7-176.400000112.8V11 E15 S16 K40 G41V11-A13 PolarHBondContact O-N 3.03Å; A13-E15 PolarHBondContact O-N 3.35Å; A13-S16 PolarHBondContact O-N 3.26Å; A13-K40 CarbonylContact O-C 3.54Å; A13-K40 VanDerWaalsContact O-CA 3.31Å; A13-K40 WeakPolarHBondContact O-CA 3.32Å; A13-G41 PolarHBondContact O-N 2.78Å
14E69.9Low70.4Confident82 Ų8288.2 Ų88.238%0.38346%0.459SS..G310 helixtrans-65.7-20.2174.7-61.3-167173.500114.9P12 K494P12-E14 PolarHBondContact O-N 2.94Å; E14-K494 IonicContact OE2-NZ 3.55Å; E14-K494 PolarHBondContact OE2-NZ 3.12Å
15E72.3Confident73.2Confident65 Ų6578.2 Ų78.230%0.30442%0.416SS..G310 helixtrans-104.9-5.6-175.4-67-71.414300111.5V11 P12 A13 K469 K494V11-E15 HydrophobicContact CG1-CB 3.66Å; P12-E15 HydrophobicContact CB-CB 4.28Å; P12-E15 HydrophobicContact CB-CG 4.15Å; P12-E15 HydrophobicContact CG-CG 4.31Å; P12-E15 WeakPolarHBondContact O-CA 3.42Å; P12-E15 WeakPolarHBondContact O-CB 3.48Å; P12-E15 PolarHBondContact O-N 2.91Å; A13-E15 PolarHBondContact O-N 3.35Å; E15-K469 VanDerWaalsContact CD-NZ 3.27Å; E15-K469 IonicContact OE1-NZ 3.23Å; E15-K469 PolarHBondContact OE1-NZ 3Å; E15-K469 IonicContact OE2-NZ 2.68Å; E15-K469 PolarHBondContact OE2-NZ 3.08Å; E15-K494 IonicContact OE1-NZ 3.32Å
16S81.9Confident76.1Confident31 Ų3166.5 Ų66.522%0.21737%0.372CS..  trans-67.4139.5173.8-173.10000111.1P12 A13 Q18 K40P12-S16 PolarHBondContact O-N 3.36Å; A13-S16 PolarHBondContact O-N 3.26Å; S16-Q18 PolarHBondContact OG-N 2.96Å; S16-Q18 VanDerWaalsContact OG-N 3.16Å; S16-K40 PolarHBondContact O-NZ 3.47Å
17D87.3Confident79Confident57 Ų5757.2 Ų57.231%0.30533%0.333SS..  trans-95.32.6171.4-70.9-25.4000112K40 N464 F465D17-K40 IonicContact OD1-NZ 3.36Å; D17-K40 PolarHBondContact OD1-NZ 3.26Å; D17-N464 CarbonylContact O-C 3.45Å; D17-N464 WeakPolarHBondContact O-CA 3.33Å; D17-F465 WeakPolarHBondContact CB-O 3.49Å; D17-F465 PolarHBondContact O-N 3.17Å
18Q92.9Very high81.9Confident110 Ų11054.4 Ų54.451%0.51431%0.305SS..EExtended strand (participates in β ladder)trans-84.6123.5175.3-71.8179.8-6.500110.8S16 F39 T462 L463 N464S16-Q18 PolarHBondContact OG-N 2.96Å; S16-Q18 VanDerWaalsContact OG-N 3.16Å; Q18-F39 WeakPolarHBondContact O-CD2 3.2Å; Q18-T462 HydrophobicContact CB-CG2 4.39Å; Q18-T462 HydrophobicContact CG-CG2 4.22Å; Q18-L463 WeakPolarHBondContact CA-O 3.39Å; Q18-N464 VanDerWaalsContact CG-OD1 3.27Å; Q18-N464 WeakPolarHBondContact CG-OD1 3.41Å
19L96.3Very high84.6Confident0 Ų048.6 Ų48.60%027%0.273CS..EExtended strand (participates in β ladder)trans-101.1129.8167.3-175.8152.9000108.3I21 L37 E38 F39 V179 I181 I207 T462 L463 F465L19-I21 HydrophobicContact CD2-CD1 3.6Å; L19-I21 HydrophobicContact CD2-CG1 3.63Å; L19-L37 HydrophobicContact CD1-CD1 4.2Å; L19-L37 HydrophobicContact CD2-CD1 3.82Å; L19-L37 HydrophobicContact CG-CD1 3.95Å; L19-E38 WeakPolarHBondContact CA-O 3.44Å; L19-F39 HydrophobicContact CB-CB 4.39Å; L19-F39 HydrophobicContact CB-CD2 3.54Å; L19-F39 HydrophobicContact CB-CE2 4Å; L19-F39 HydrophobicContact CB-CG 4.11Å; L19-F39 HydrophobicContact CD1-CB 4.18Å; L19-F39 HydrophobicContact CD1-CD1 4.29Å; L19-F39 HydrophobicContact CD1-CD2 4.19Å; L19-F39 HydrophobicContact CD1-CG 3.98Å; L19-F39 HydrophobicContact CG-CB 4.08Å; L19-F39 HydrophobicContact CG-CD2 4.11Å; L19-F39 HydrophobicContact CG-CG 4.16Å; L19-V179 HydrophobicContact CD1-CG1 4.01Å; L19-I181 HydrophobicContact CD1-CD1 3.85Å; L19-I181 HydrophobicContact CD1-CG1 4.45Å; L19-I207 HydrophobicContact CD1-CD1 3.62Å; L19-I207 HydrophobicContact CD2-CD1 3.65Å; L19-I207 HydrophobicContact CG-CD1 4.29Å; L19-T462 WeakPolarHBondContact O-CA 3.41Å; L19-L463 HydrophobicContact CD2-CD1 4.49Å; L19-L463 PolarHBondContact N-O 3.25Å; L19-L463 PolarHBondContact O-N 3.44Å; L19-F465 HydrophobicContact CB-CD2 4.03Å; L19-F465 HydrophobicContact CB-CE2 4.4Å; L19-F465 HydrophobicContact CD1-CD2 4.19Å; L19-F465 HydrophobicContact CD1-CE2 4.23Å
20L98.1Very high87.3Confident35 Ų3541 Ų4118%0.18323%0.234CC..EExtended strand (participates in β ladder)trans-118.6128.1-179.2-171.6145.1000110R22 L37 E38 A460 V461L20-R22 HydrophobicContact CD2-CB 3.85Å; L20-L37 WeakPolarHBondContact O-CA 3.44Å; L20-E38 HydrophobicContact CB-CB 4.28Å; L20-E38 HydrophobicContact CD2-CG 4.42Å; L20-E38 PolarHBondContact N-O 3Å; L20-E38 PolarHBondContact O-N 3.03Å; L20-A460 HydrophobicContact CD1-CB 3.84Å; L20-A460 HydrophobicContact CD2-CB 3.98Å; L20-A460 HydrophobicContact CG-CB 3.84Å; L20-V461 WeakPolarHBondContact CA-O 3.27Å
21I98.8Very high89.3Confident0 Ų036 Ų360%020%0.198CC..EExtended strand (participates in β ladder)trans-119.2121.8173-67.8164.9000108.2L19 I35 I36 L37 I207 I209 I422 A460 V461L19-I21 HydrophobicContact CD2-CD1 3.6Å; L19-I21 HydrophobicContact CD2-CG1 3.63Å; I21-I35 HydrophobicContact CG2-CG2 3.68Å; I21-I36 CarbonylContact C-O 3.57Å; I21-I36 WeakPolarHBondContact CA-O 3.3Å; I21-L37 HydrophobicContact CD1-CD1 4.26Å; I21-L37 HydrophobicContact CG1-CD1 3.7Å; I21-I207 HydrophobicContact CD1-CD1 4.22Å; I21-I207 HydrophobicContact CD1-CG2 3.83Å; I21-I209 HydrophobicContact CD1-CD1 4.02Å; I21-I209 HydrophobicContact CD1-CG1 4.37Å; I21-I209 HydrophobicContact CG1-CD1 4.49Å; I21-I209 HydrophobicContact CG2-CD1 4.1Å; I21-I422 HydrophobicContact CB-CD1 4.03Å; I21-I422 HydrophobicContact CD1-CD1 3.29Å; I21-I422 HydrophobicContact CG1-CD1 4.24Å; I21-I422 HydrophobicContact CG2-CD1 3.96Å; I21-A460 CarbonylContact O-C 3.59Å; I21-A460 WeakPolarHBondContact O-CA 3.49Å; I21-V461 PolarHBondContact N-O 3.31Å; I21-V461 PolarHBondContact O-N 2.91Å
22R98.8Very high91.1Very high57 Ų5732.2 Ų32.222%0.21517%0.174CC..EExtended strand (participates in β ladder)trans-132.3111.7-177.6-176.1-175.9-61.4159.37.8110.3L20 L24 I36 A460L20-R22 HydrophobicContact CD2-CB 3.85Å; R22-L24 HydrophobicContact CG-CD2 4.19Å; R22-L24 PolarHBondContact O-N 3.22Å; R22-I36 PolarHBondContact N-O 2.76Å; R22-I36 PolarHBondContact O-N 2.8Å; R22-A460 HydrophobicContact CB-CB 4.47Å
23P98.8Very high92.4Very high0 Ų028.3 Ų28.30%015%0.149CC..EExtended strand (participates in β ladder)trans-66.2123.7166.9-11.926.4000109.6I35 V424 P455 N457 T458 E459P23-I35 HydrophobicContact CB-CG1 4.47Å; P23-V424 HydrophobicContact CG-CG1 4.42Å; P23-P455 HydrophobicContact CG-CB 4.06Å; P23-P455 HydrophobicContact CG-CG 3.61Å; P23-N457 CarbonylContact O-C 3.58Å; P23-N457 WeakPolarHBondContact O-CA 3.14Å; P23-T458 PolarHBondContact O-N 3.36Å; P23-E459 VanDerWaalsContact CD-O 3.32Å; P23-E459 WeakPolarHBondContact CD-O 3.41Å
24L98.7Very high93.8Very high0 Ų025.2 Ų25.20%012%0.123CC..EExtended strand (participates in β ladder)trans-92.8-9.4164.6-57.8-175.5000111.6R22 C34 I36 P61 Y62 I63 L65 I66R22-L24 HydrophobicContact CG-CD2 4.19Å; R22-L24 PolarHBondContact O-N 3.22Å; L24-C34 HydrophobicContact CB-CB 4.26Å; L24-C34 PolarHBondContact N-O 3.41Å; L24-I36 HydrophobicContact CD1-CD1 4.03Å; L24-I36 HydrophobicContact CD1-CG1 3.47Å; L24-I36 VanDerWaalsContact CD1-CG1 3.47Å; L24-I36 HydrophobicContact CG-CG1 3.76Å; L24-P61 HydrophobicContact CB-CB 4.11Å; L24-P61 WeakPolarHBondContact O-CA 3.48Å; L24-P61 WeakPolarHBondContact O-CB 3.46Å; L24-Y62 WeakPolarHBondContact O-CD2 3.34Å; L24-Y62 PolarHBondContact O-N 3.2Å; L24-I63 HydrophobicContact CD1-CD1 4.18Å; L24-L65 HydrophobicContact CD2-CB 4.18Å; L24-L65 HydrophobicContact CD2-CD1 4.15Å; L24-I66 HydrophobicContact CD1-CD1 4.04Å; L24-I66 HydrophobicContact CD1-CG1 4Å; L24-I66 HydrophobicContact CD1-CG2 4.18Å
25G98.3Very high95.2Very high0 Ų021.3 Ų21.30%011%0.105CC..EExtended strand (participates in β ladder)trans-162.8165.3169.900000109.6G27 R32 C34 N457G25-G27 PolarHBondContact O-N 3.29Å; G25-R32 VanDerWaalsContact CA-O 3.28Å; G25-R32 WeakPolarHBondContact CA-O 3.26Å; G25-C34 PolarHBondContact N-O 2.87Å; G25-C34 VanDerWaalsContact N-O 3.13Å; G25-N457 VanDerWaalsContact C-OD1 3.24Å; G25-N457 WeakPolarHBondContact CA-OD1 3.44Å; G25-N457 PolarHBondContact N-OD1 3.41Å
26A98.1Very high96.4Very high0 Ų018.2 Ų18.20%09%0.09CC..SBendtrans61.414.8-172.700000115.5Q28 E29 G31 S33 V424 H425 N457A26-Q28 PolarHBondContact O-N 2.94Å; A26-E29 CarbonylContact C-O 3.59Å; A26-E29 WeakPolarHBondContact CA-O 3.33Å; A26-E29 PolarHBondContact N-OE1 2.94Å; A26-G31 PolarHBondContact N-O 2.8Å; A26-S33 WeakPolarHBondContact CB-OG 3.36Å; A26-V424 CarbonylContact O-C 3.59Å; A26-H425 HydrophobicContact CB-CB 4.28Å; A26-H425 PolarHBondContact O-N 3.34Å; A26-N457 PolarHBondContact N-OD1 2.77Å
27G98.2Very high97.2Very high5 Ų516.8 Ų16.85%0.0528%0.08CC..SBendtrans-85.1102.3170.400000111.2G25 E29 P455 N457G25-G27 PolarHBondContact O-N 3.29Å; G27-E29 VanDerWaalsContact C-N 3.26Å; G27-E29 PolarHBondContact O-N 3.12Å; G27-P455 CarbonylContact C-O 3.5Å; G27-P455 VanDerWaalsContact CA-O 3.3Å; G27-P455 WeakPolarHBondContact CA-O 3.19Å; G27-N457 WeakPolarHBondContact CA-OD1 3.44Å; G27-N457 PolarHBondContact N-OD1 3.47Å; G27-N457 PolarHBondContact O-N 3.02Å
28Q97.9Very high97.7Very high28 Ų2816.2 Ų16.213%0.1318%0.076CC..SBendtrans61.926-170.5-56.8-173.50.300114.8A26 G426 Q428 M431 N454 R456A26-Q28 PolarHBondContact O-N 2.94Å; Q28-G426 CarbonylContact C-O 3.59Å; Q28-Q428 HydrophobicContact CB-CB 4.13Å; Q28-Q428 HydrophobicContact CB-CG 4.33Å; Q28-Q428 PolarHBondContact O-N 3.44Å; Q28-M431 HydrophobicContact CB-SD 4.43Å; Q28-M431 HydrophobicContact CG-SD 3.88Å; Q28-N454 PolarHBondContact NE2-O 3.42Å; Q28-R456 HydrophobicContact CG-CG 4.06Å; Q28-R456 VanDerWaalsContact OE1-CG 3.24Å
29E97.1Very high97.8Very high35 Ų3511.2 Ų11.216%0.1645%0.052CC..SBendtrans-145.9168.9172.268.6-175.5-176.500110.8A26 G27 R32 H425 G426 N457A26-E29 CarbonylContact C-O 3.59Å; A26-E29 WeakPolarHBondContact CA-O 3.33Å; A26-E29 PolarHBondContact N-OE1 2.94Å; G27-E29 VanDerWaalsContact C-N 3.26Å; G27-E29 PolarHBondContact O-N 3.12Å; E29-R32 IonicContact OE1-CZ 3.45Å; E29-R32 IonicContact OE1-NE 3.91Å; E29-R32 PolarHBondContact OE1-NE 3.33Å; E29-R32 IonicContact OE1-NH2 2.65Å; E29-R32 PolarHBondContact OE1-NH2 2.97Å; E29-R32 IonicContact OE2-CZ 2.79Å; E29-R32 IonicContact OE2-NE 3.2Å; E29-R32 IonicContact OE2-NH2 3.97Å; E29-R32 PolarHBondContact OE2-NH2 3.45Å; E29-H425 WeakPolarHBondContact O-CA 3.35Å; E29-G426 CarbonylContact C-O 3.41Å; E29-G426 WeakPolarHBondContact CA-O 3.29Å; E29-G426 PolarHBondContact N-O 2.9Å; E29-G426 PolarHBondContact O-N 3.34Å; E29-N457 PolarHBondContact OE1-ND2 3.18Å; E29-N457 PolarHBondContact OE2-ND2 2.94Å
30V96.7Very high97.6Very high9 Ų912 Ų126%0.0556%0.056CC..SBendtrans-109.6128.2168.91740000107.9H51 Y364 V366V30-H51 PolarHBondContact O-NE2 3.26Å; V30-Y364 HydrophobicContact CB-CE1 3.91Å; V30-Y364 HydrophobicContact CG1-CD1 3.97Å; V30-Y364 HydrophobicContact CG1-CE1 3.67Å; V30-Y364 HydrophobicContact CG2-CE1 4.01Å; V30-V366 HydrophobicContact CG1-CG2 4.1Å
31G94.6Very high97.3Very high0 Ų012 Ų120%06%0.064CC..SBendtrans119.6156.7-173.700000113.6A26 S33A26-G31 PolarHBondContact N-O 2.8Å; G31-S33 VanDerWaalsContact C-N 3.25Å; G31-S33 PolarHBondContact O-N 3.47Å; G31-S33 VanDerWaalsContact O-N 3.15Å
32R97.5Very high97.1Very high16 Ų1614.4 Ų14.46%0.067%0.073CC..SBendtrans46.240177.360.4177.5171.5-170.5-2.3115.2G25 E29 C34 I50 H51 D58 L60 P61G25-R32 VanDerWaalsContact CA-O 3.28Å; G25-R32 WeakPolarHBondContact CA-O 3.26Å; E29-R32 IonicContact OE1-CZ 3.45Å; E29-R32 IonicContact OE1-NE 3.91Å; E29-R32 PolarHBondContact OE1-NE 3.33Å; E29-R32 IonicContact OE1-NH2 2.65Å; E29-R32 PolarHBondContact OE1-NH2 2.97Å; E29-R32 IonicContact OE2-CZ 2.79Å; E29-R32 IonicContact OE2-NE 3.2Å; E29-R32 IonicContact OE2-NH2 3.97Å; E29-R32 PolarHBondContact OE2-NH2 3.45Å; R32-C34 PolarHBondContact O-N 2.99Å; R32-C34 VanDerWaalsContact O-N 3.16Å; R32-I50 PolarHBondContact N-O 2.98Å; R32-H51 HydrophobicContact CB-CB 4.03Å; R32-H51 HydrophobicContact CG-CB 3.87Å; R32-D58 PolarHBondContact NH1-O 2.89Å; R32-D58 VanDerWaalsContact NH1-O 3.15Å; R32-L60 WeakPolarHBondContact CD-O 3.31Å; R32-L60 PolarHBondContact NH1-O 3.33Å; R32-P61 HydrophobicContact CB-CG 4.23Å
33S98.8Very high97.1Very high0 Ų013.6 Ų13.60%07%0.071CC..  trans-49.6121.4177.8-64.10000111.1A26 G31 D47 C48 G49 D82 H83 H425A26-S33 WeakPolarHBondContact CB-OG 3.36Å; G31-S33 VanDerWaalsContact C-N 3.25Å; G31-S33 PolarHBondContact O-N 3.47Å; G31-S33 VanDerWaalsContact O-N 3.15Å; S33-D47 CarbonylContact O-C 3.51Å; S33-D47 VanDerWaalsContact O-C 3.29Å; S33-C48 PolarHBondContact O-N 3.44Å; S33-G49 PolarHBondContact O-N 3.36Å; S33-D82 WeakPolarHBondContact CA-O 3.45Å; S33-D82 WeakPolarHBondContact CB-O 3.04Å; S33-D82 PolarHBondContact N-O 3.16Å; S33-D82 PolarHBondContact OG-O 2.96Å; S33-H83 PolarHBondContact OG-CE1 3.13Å; S33-H83 PolarHBondContact OG-NE2 3.06Å; S33-H425 PolarHBondContact OG-CD2 2.98Å
34C98.8Very high97.1Very high0 Ų013.6 Ų13.60%07%0.071CC..EExtended strand (participates in β ladder)trans-162.9111.4177.7-179.60000108L24 G25 R32 L46 P61L24-C34 HydrophobicContact CB-CB 4.26Å; L24-C34 PolarHBondContact N-O 3.41Å; G25-C34 PolarHBondContact N-O 2.87Å; G25-C34 VanDerWaalsContact N-O 3.13Å; R32-C34 PolarHBondContact O-N 2.99Å; R32-C34 VanDerWaalsContact O-N 3.16Å; C34-L46 CarbonylContact C-O 3.53Å; C34-L46 WeakPolarHBondContact CA-O 3.26Å; C34-P61 HydrophobicContact CB-CB 3.58Å; C34-P61 HydrophobicContact CB-CG 3.56Å
35I98.9Very high97.1Very high0 Ų013.6 Ų13.60%07%0.071CC..EExtended strand (participates in β ladder)trans-120.5128.8179.2-55.8103.3000109.7I21 P23 M45 L46 Y183 I209 V424I21-I35 HydrophobicContact CG2-CG2 3.68Å; P23-I35 HydrophobicContact CB-CG1 4.47Å; I35-M45 CarbonylContact O-C 3.54Å; I35-M45 WeakPolarHBondContact O-CA 3.49Å; I35-L46 HydrophobicContact CB-CB 4.26Å; I35-L46 HydrophobicContact CB-CD1 4.5Å; I35-L46 PolarHBondContact N-O 3.05Å; I35-L46 PolarHBondContact O-N 2.94Å; I35-Y183 HydrophobicContact CD1-CE2 3.81Å; I35-I209 HydrophobicContact CG2-CD1 4.5Å; I35-V424 HydrophobicContact CD1-CG2 4.47Å; I35-V424 HydrophobicContact CG1-CG1 4.33Å
36I98.8Very high97.1Very high0 Ų013.6 Ų13.60%07%0.071CC..EExtended strand (participates in β ladder)trans-94.5130.5173.6-60.3-61.3000109.7I21 R22 L24 E38 I44 M45 I66 I71I21-I36 CarbonylContact C-O 3.57Å; I21-I36 WeakPolarHBondContact CA-O 3.3Å; R22-I36 PolarHBondContact N-O 2.76Å; R22-I36 PolarHBondContact O-N 2.8Å; L24-I36 HydrophobicContact CD1-CD1 4.03Å; L24-I36 HydrophobicContact CD1-CG1 3.47Å; L24-I36 VanDerWaalsContact CD1-CG1 3.47Å; L24-I36 HydrophobicContact CG-CG1 3.76Å; I36-E38 HydrophobicContact CG2-CG 3.75Å; I36-I44 WeakPolarHBondContact CA-O 3.33Å; I36-M45 HydrophobicContact CD1-CB 3.84Å; I36-M45 HydrophobicContact CD1-CE 3.73Å; I36-M45 HydrophobicContact CD1-CG 3.94Å; I36-I66 HydrophobicContact CD1-CD1 3.84Å; I36-I66 HydrophobicContact CG1-CD1 4.46Å; I36-I66 HydrophobicContact CG1-CG2 4.15Å; I36-I71 HydrophobicContact CD1-CD1 4.12Å
37L98.4Very high97.1Very high0 Ų013.6 Ų13.60%07%0.071CC..EExtended strand (participates in β ladder)trans-117119.6173.216865.9000108.5L19 L20 I21 K43 I44 I174 I176 I181L19-L37 HydrophobicContact CD1-CD1 4.2Å; L19-L37 HydrophobicContact CD2-CD1 3.82Å; L19-L37 HydrophobicContact CG-CD1 3.95Å; L20-L37 WeakPolarHBondContact O-CA 3.44Å; I21-L37 HydrophobicContact CD1-CD1 4.26Å; I21-L37 HydrophobicContact CG1-CD1 3.7Å; L37-K43 WeakPolarHBondContact O-CA 3.08Å; L37-I44 HydrophobicContact CB-CB 4.26Å; L37-I44 HydrophobicContact CD2-CB 4.41Å; L37-I44 HydrophobicContact CD2-CD1 3.85Å; L37-I44 PolarHBondContact N-O 2.89Å; L37-I44 PolarHBondContact O-N 3.32Å; L37-I174 HydrophobicContact CD2-CD1 4.35Å; L37-I174 HydrophobicContact CD2-CG2 4.39Å; L37-I176 HydrophobicContact CD2-CD1 4.49Å; L37-I181 HydrophobicContact CD1-CD1 3.73Å; L37-I181 HydrophobicContact CD2-CD1 3.46Å; L37-I181 VanDerWaalsContact CD2-CD1 3.46Å; L37-I181 HydrophobicContact CG-CD1 4.21Å
38E97.6Very high97.2Very high46 Ų4613.3 Ų13.322%0.2157%0.069CC..EExtended strand (participates in β ladder)trans-118122.2176.4-47.2-172.5-153.600110.1L19 L20 I36 R42 K43L19-E38 WeakPolarHBondContact CA-O 3.44Å; L20-E38 HydrophobicContact CB-CB 4.28Å; L20-E38 HydrophobicContact CD2-CG 4.42Å; L20-E38 PolarHBondContact N-O 3Å; L20-E38 PolarHBondContact O-N 3.03Å; I36-E38 HydrophobicContact CG2-CG 3.75Å; E38-R42 WeakPolarHBondContact CA-O 3.44Å; E38-K43 HydrophobicContact CG-CD 4.45Å; E38-K43 HydrophobicContact CG-CG 4.08Å; E38-K43 WeakPolarHBondContact OE2-CE 3.16Å; E38-K43 IonicContact OE2-NZ 3.74Å
39F95.5Very high97.2Very high4 Ų412 Ų122%0.0186%0.062CC..EExtended strand (participates in β ladder)trans-154.4135174.7-171.6-129.9000111.5Q18 L19 G41 R42 I176 A177 V179 F465Q18-F39 WeakPolarHBondContact O-CD2 3.2Å; L19-F39 HydrophobicContact CB-CB 4.39Å; L19-F39 HydrophobicContact CB-CD2 3.54Å; L19-F39 HydrophobicContact CB-CE2 4Å; L19-F39 HydrophobicContact CB-CG 4.11Å; L19-F39 HydrophobicContact CD1-CB 4.18Å; L19-F39 HydrophobicContact CD1-CD1 4.29Å; L19-F39 HydrophobicContact CD1-CD2 4.19Å; L19-F39 HydrophobicContact CD1-CG 3.98Å; L19-F39 HydrophobicContact CG-CB 4.08Å; L19-F39 HydrophobicContact CG-CD2 4.11Å; L19-F39 HydrophobicContact CG-CG 4.16Å; F39-G41 VanDerWaalsContact C-N 3.27Å; F39-G41 PolarHBondContact O-N 3.1Å; F39-R42 PolarHBondContact N-O 2.9Å; F39-R42 WeakPolarHBondContact O-CB 3.23Å; F39-R42 PolarHBondContact O-N 2.76Å; F39-I176 HydrophobicContact CB-CD1 4.34Å; F39-I176 HydrophobicContact CD1-CB 3.87Å; F39-I176 HydrophobicContact CD1-CG2 3.64Å; F39-I176 HydrophobicContact CE1-CB 4.49Å; F39-I176 HydrophobicContact CE1-CG2 4.31Å; F39-A177 HydrophobicContact CE1-CB 4.42Å; F39-V179 HydrophobicContact CE1-CB 4.06Å; F39-V179 HydrophobicContact CE1-CG2 3.69Å; F39-V179 HydrophobicContact CZ-CG2 3.85Å; F39-F465 HydrophobicContact CE2-CB 4.39Å; F39-F465 HydrophobicContact CZ-CB 4.06Å
40K90.7Very high97.2Very high18 Ų1810.5 Ų10.58%0.0786%0.056CC..THydrogen-bonded Turntrans46.547.3178.5-60.9-163.3175.3-60.80114A13 S16 D17 R42 A177 F497A13-K40 CarbonylContact O-C 3.54Å; A13-K40 VanDerWaalsContact O-CA 3.31Å; A13-K40 WeakPolarHBondContact O-CA 3.32Å; S16-K40 PolarHBondContact O-NZ 3.47Å; D17-K40 IonicContact OD1-NZ 3.36Å; D17-K40 PolarHBondContact OD1-NZ 3.26Å; K40-R42 PolarHBondContact O-N 2.97Å; K40-A177 HydrophobicContact CD-CB 3.64Å; K40-F497 HydrophobicContact CB-CD1 4.34Å; K40-F497 HydrophobicContact CB-CE1 3.46Å; K40-F497 VanDerWaalsContact CB-CE1 3.46Å; K40-F497 HydrophobicContact CB-CZ 3.9Å; K40-F497 HydrophobicContact CD-CD1 4.15Å; K40-F497 HydrophobicContact CD-CE1 4.1Å; K40-F497 HydrophobicContact CG-CE1 4.4Å
41G91.6Very high97.1Very high35 Ų3511.1 Ų11.136%0.3616%0.058SC..THydrogen-bonded Turntrans72.912177.400000114.9A13 F39A13-G41 PolarHBondContact O-N 2.78Å; F39-G41 VanDerWaalsContact C-N 3.27Å; F39-G41 PolarHBondContact O-N 3.1Å
42R95.3Very high96.8Very high49 Ų4912.6 Ų12.619%0.1857%0.067CC..EExtended strand (participates in β ladder)trans-109.7142.8173.5-62.4-61.1175.5-130.6-8111.2E38 F39 K40 D72 A154 I156 F497E38-R42 WeakPolarHBondContact CA-O 3.44Å; F39-R42 PolarHBondContact N-O 2.9Å; F39-R42 WeakPolarHBondContact O-CB 3.23Å; F39-R42 PolarHBondContact O-N 2.76Å; K40-R42 PolarHBondContact O-N 2.97Å; R42-D72 VanDerWaalsContact CA-OD2 3.27Å; R42-D72 WeakPolarHBondContact CA-OD2 3.46Å; R42-D72 VanDerWaalsContact CD-OD2 3.26Å; R42-D72 WeakPolarHBondContact CD-OD2 3.23Å; R42-A154 PolarHBondContact NE-O 3.41Å; R42-I156 HydrophobicContact CB-CD1 4.05Å; R42-I156 HydrophobicContact CB-CG1 4.24Å; R42-I156 HydrophobicContact CG-CD1 4.27Å; R42-I156 HydrophobicContact CG-CG1 4.17Å; R42-F497 HydrophobicContact CG-CE2 4.27Å; R42-F497 HydrophobicContact CG-CZ 3.89Å
43K98.2Very high96.4Very high40 Ų4012.8 Ų12.817%0.1747%0.074CC..EExtended strand (participates in β ladder)trans-123.8124.4177.5-61.3-170.5177.9-177.90110.6L37 E38 E70 I71 D72L37-K43 WeakPolarHBondContact O-CA 3.08Å; E38-K43 HydrophobicContact CG-CD 4.45Å; E38-K43 HydrophobicContact CG-CG 4.08Å; E38-K43 WeakPolarHBondContact OE2-CE 3.16Å; E38-K43 IonicContact OE2-NZ 3.74Å; K43-E70 HydrophobicContact CD-CB 4.1Å; K43-E70 IonicContact NZ-OE2 3.18Å; K43-E70 PolarHBondContact NZ-OE2 2.87Å; K43-I71 HydrophobicContact CB-CD1 3.86Å; K43-I71 HydrophobicContact CD-CD1 4.3Å; K43-D72 PolarHBondContact N-OD2 2.81Å; K43-D72 PolarHBondContact O-N 3.2Å
44I98.8Very high96Very high0 Ų016.2 Ų16.20%09%0.092CC..EExtended strand (participates in β ladder)trans-120.4135179.4-56.8164.4000108I36 L37 L46 L73 I156 I174 I176I36-I44 WeakPolarHBondContact CA-O 3.33Å; L37-I44 HydrophobicContact CB-CB 4.26Å; L37-I44 HydrophobicContact CD2-CB 4.41Å; L37-I44 HydrophobicContact CD2-CD1 3.85Å; L37-I44 PolarHBondContact N-O 2.89Å; L37-I44 PolarHBondContact O-N 3.32Å; I44-L46 HydrophobicContact CG2-CD2 3.8Å; I44-L46 HydrophobicContact CG2-CG 4.46Å; I44-L73 CarbonylContact C-O 2.93Å; I44-L73 WeakPolarHBondContact CA-O 3.27Å; I44-L73 HydrophobicContact CG1-CB 4.19Å; I44-L73 HydrophobicContact CG1-CD2 4.5Å; I44-L73 HydrophobicContact CG2-CB 4.31Å; I44-L73 HydrophobicContact CG2-CD2 4.43Å; I44-I156 HydrophobicContact CD1-CD1 3.91Å; I44-I156 HydrophobicContact CD1-CG1 4.23Å; I44-I156 HydrophobicContact CD1-CG2 3.63Å; I44-I156 HydrophobicContact CG1-CD1 3.79Å; I44-I174 HydrophobicContact CD1-CG2 3.75Å; I44-I176 HydrophobicContact CD1-CD1 3.63Å; I44-I176 HydrophobicContact CD1-CG1 4.48Å
45M98.9Very high95.4Very high0 Ų024 Ų240%013%0.128CC..EExtended strand (participates in β ladder)trans-104.6131.1169-177.8-176.3-74.100109I35 I36 C48 I63 I66 I71 L73 L74 L75 F90I35-M45 CarbonylContact O-C 3.54Å; I35-M45 WeakPolarHBondContact O-CA 3.49Å; I36-M45 HydrophobicContact CD1-CB 3.84Å; I36-M45 HydrophobicContact CD1-CE 3.73Å; I36-M45 HydrophobicContact CD1-CG 3.94Å; M45-C48 HydrophobicContact SD-CB 4.3Å; M45-I63 HydrophobicContact CE-CD1 3.92Å; M45-I66 HydrophobicContact CE-CD1 3.46Å; M45-I66 VanDerWaalsContact CE-CD1 3.46Å; M45-I71 HydrophobicContact CB-CG2 3.93Å; M45-L73 PolarHBondContact N-O 3.48Å; M45-L74 HydrophobicContact CB-CD1 3.77Å; M45-L74 HydrophobicContact CG-CD1 3.61Å; M45-L74 WeakPolarHBondContact O-CA 3.48Å; M45-L74 WeakPolarHBondContact O-CD1 3.18Å; M45-L74 HydrophobicContact SD-CD1 3.78Å; M45-L75 PolarHBondContact O-N 3.32Å; M45-F90 HydrophobicContact CE-CE1 4.19Å; M45-F90 HydrophobicContact CE-CE2 3.68Å; M45-F90 HydrophobicContact CE-CZ 3.48Å; M45-F90 VanDerWaalsContact CE-CZ 3.48Å; M45-F90 HydrophobicContact SD-CD1 4.46Å; M45-F90 HydrophobicContact SD-CE1 3.99Å; M45-F90 HydrophobicContact SD-CE2 4.28Å; M45-F90 HydrophobicContact SD-CZ 3.9Å
46L98.9Very high94.9Very high0 Ų024.9 Ų24.90%014%0.138CC..EExtended strand (participates in β ladder)trans-110.9116.1177.6-53.1174.5000108C34 I35 I44 L75 I174 Y183 I209C34-L46 CarbonylContact C-O 3.53Å; C34-L46 WeakPolarHBondContact CA-O 3.26Å; I35-L46 HydrophobicContact CB-CB 4.26Å; I35-L46 HydrophobicContact CB-CD1 4.5Å; I35-L46 PolarHBondContact N-O 3.05Å; I35-L46 PolarHBondContact O-N 2.94Å; I44-L46 HydrophobicContact CG2-CD2 3.8Å; I44-L46 HydrophobicContact CG2-CG 4.46Å; L46-L75 HydrophobicContact CD2-CB 4.15Å; L46-L75 HydrophobicContact CD2-CD1 4.07Å; L46-L75 HydrophobicContact CD2-CG 4.46Å; L46-I174 HydrophobicContact CD2-CD1 3.57Å; L46-Y183 HydrophobicContact CB-CD1 3.88Å; L46-Y183 HydrophobicContact CB-CE1 3.91Å; L46-Y183 HydrophobicContact CB-CG 4.37Å; L46-Y183 HydrophobicContact CD1-CD1 4.18Å; L46-Y183 HydrophobicContact CD1-CD2 4.4Å; L46-Y183 HydrophobicContact CD1-CG 3.9Å; L46-Y183 HydrophobicContact CD2-CD1 4.4Å; L46-Y183 HydrophobicContact CG-CD1 4.38Å; L46-I209 HydrophobicContact CD1-CD1 3.97Å
47D98.9Very high94.6Very high0 Ų030.5 Ų30.50%017%0.166CC..  trans58158.9-171.1-71-30.8000115.2S33 L75 I76 S77 H83 Y183S33-D47 CarbonylContact O-C 3.51Å; S33-D47 VanDerWaalsContact O-C 3.29Å; D47-L75 PolarHBondContact N-O 2.93Å; D47-I76 WeakPolarHBondContact OD1-CA 3.29Å; D47-S77 VanDerWaalsContact CG-OG 3.28Å; D47-S77 PolarHBondContact OD1-N 3.44Å; D47-S77 PolarHBondContact OD1-OG 3.37Å; D47-S77 WeakPolarHBondContact OD2-CB 3.2Å; D47-S77 PolarHBondContact OD2-OG 2.92Å; D47-H83 HydrophobicContact CB-CB 4.2Å; D47-H83 WeakPolarHBondContact CB-O 3.24Å; D47-H83 IonicContact OD2-CE1 3.55Å; D47-H83 IonicContact OD2-CG 2.68Å; D47-H83 IonicContact OD2-ND1 2.78Å; D47-H83 PolarHBondContact OD2-ND1 3.46Å; D47-Y183 VanDerWaalsContact OD2-CE1 3.29Å; D47-Y183 WeakPolarHBondContact OD2-CE1 3.36Å; D47-Y183 PolarHBondContact OD2-OH 2.94Å
48C98.7Very high94.4Very high0 Ų036.4 Ų36.40%020%0.197CC..  trans-153.175.5178.8-1660000109.7S33 M45 L74 I76 H83 C84 G85 A86 L87S33-C48 PolarHBondContact O-N 3.44Å; M45-C48 HydrophobicContact SD-CB 4.3Å; C48-L74 HydrophobicContact CB-CD1 4.38Å; C48-I76 HydrophobicContact CB-CD1 4.26Å; C48-H83 CarbonylContact C-O 3.55Å; C48-H83 VanDerWaalsContact C-O 3.25Å; C48-H83 PolarHBondContact N-O 3.24Å; C48-C84 CarbonylContact O-C 3.39Å; C48-C84 VanDerWaalsContact O-CA 3.32Å; C48-C84 WeakPolarHBondContact O-CA 3.39Å; C48-G85 PolarHBondContact O-N 3.03Å; C48-A86 PolarHBondContact O-N 3.5Å; C48-L87 HydrophobicContact CB-CD1 4.42Å; C48-L87 PolarHBondContact O-N 2.92Å
49G98.3Very high94.2Very high0 Ų034.4 Ų34.40%019%0.189CC..  trans-97.2178.2-176.800000116.2S33 P61 L81 D82 H83 A86S33-G49 PolarHBondContact O-N 3.36Å; G49-P61 WeakPolarHBondContact O-CD 3.19Å; G49-L81 VanDerWaalsContact CA-O 3.31Å; G49-L81 WeakPolarHBondContact CA-O 3.41Å; G49-D82 VanDerWaalsContact CA-C 3.48Å; G49-D82 WeakPolarHBondContact CA-O 3.33Å; G49-H83 PolarHBondContact N-O 3.23Å; G49-A86 WeakPolarHBondContact O-CB 3.41Å
50I96.7Very high94.3Very high4 Ų434.6 Ų34.62%0.02119%0.19CC..  trans-112.5156.616855.7174.3000111.3R32 P52 A59 L60 L81 D82 A86 Y117 L129R32-I50 PolarHBondContact N-O 2.98Å; I50-P52 WeakPolarHBondContact O-CD 3.29Å; I50-A59 CarbonylContact C-O 3.56Å; I50-A59 WeakPolarHBondContact CA-O 3.06Å; I50-L60 HydrophobicContact CG2-CD2 4.38Å; I50-L81 HydrophobicContact CD1-CB 4.35Å; I50-L81 HydrophobicContact CG1-CB 4.17Å; I50-L81 WeakPolarHBondContact CG1-O 3.33Å; I50-L81 PolarHBondContact N-O 2.87Å; I50-D82 WeakPolarHBondContact O-CA 3.21Å; I50-A86 HydrophobicContact CG2-CB 3.86Å; I50-Y117 HydrophobicContact CD1-CD2 4.22Å; I50-Y117 HydrophobicContact CD1-CE1 3.86Å; I50-Y117 HydrophobicContact CD1-CE2 3.48Å; I50-Y117 VanDerWaalsContact CD1-CE2 3.48Å; I50-Y117 VanDerWaalsContact CD1-OH 3.31Å; I50-Y117 WeakPolarHBondContact CD1-OH 3.44Å; I50-L129 HydrophobicContact CG2-CD1 3.94Å
51H95.5Very high94.7Very high22 Ų2234.1 Ų34.110%0.10219%0.189CC..  trans-90.3113.3174.8-169.3-70.8000110V30 R32 G53 L54 A59V30-H51 PolarHBondContact O-NE2 3.26Å; R32-H51 HydrophobicContact CB-CB 4.03Å; R32-H51 HydrophobicContact CG-CB 3.87Å; H51-G53 PolarHBondContact ND1-N 3.33Å; H51-G53 VanDerWaalsContact ND1-N 3.13Å; H51-G53 PolarHBondContact O-N 3.03Å; H51-L54 HydrophobicContact CB-CB 4.19Å; H51-L54 HydrophobicContact CB-CD1 3.99Å; H51-L54 HydrophobicContact CB-CG 4.2Å; H51-L54 PolarHBondContact ND1-N 3.39Å; H51-L54 PolarHBondContact O-N 3.24Å; H51-L54 VanDerWaalsContact O-N 3.14Å; H51-A59 PolarHBondContact N-O 2.86Å
52P88.8Confident95Very high30 Ų3037 Ų3720%0.19519%0.189CC..THydrogen-bonded Turntrans-66.5-20.4-173.5-23.335.4000115.5I50 M338I50-P52 WeakPolarHBondContact O-CD 3.29Å; P52-M338 HydrophobicContact CB-CE 4.33Å; P52-M338 HydrophobicContact CB-SD 3.67Å; P52-M338 HydrophobicContact CG-CE 4.28Å; P52-M338 HydrophobicContact CG-SD 4.26Å
53G87.8Confident95.1Very high21 Ų2135.1 Ų35.122%0.21618%0.183CC..THydrogen-bonded Turntrans-922.617700000115.1H51H51-G53 PolarHBondContact ND1-N 3.33Å; H51-G53 VanDerWaalsContact ND1-N 3.13Å; H51-G53 PolarHBondContact O-N 3.03Å
54L90.4Very high95Very high71 Ų7139.5 Ų39.537%0.37221%0.208SC..SBendtrans-119.8164.4178.2-64176.8000110.1H51 D58 A59H51-L54 HydrophobicContact CB-CB 4.19Å; H51-L54 HydrophobicContact CB-CD1 3.99Å; H51-L54 HydrophobicContact CB-CG 4.2Å; H51-L54 PolarHBondContact ND1-N 3.39Å; H51-L54 PolarHBondContact O-N 3.24Å; H51-L54 VanDerWaalsContact O-N 3.14Å; L54-D58 VanDerWaalsContact CD1-O 3.28Å; L54-D58 WeakPolarHBondContact CD1-O 3.47Å; L54-A59 HydrophobicContact CB-CB 4.05Å
55E86.7Confident94.9Very high163 Ų16343.1 Ų43.176%0.76223%0.227SC*.  trans-120.3154-174-64-179.3174.600111.8D58E55-D58 PolarHBondContact O-N 3.49Å
56G88.8Confident94.7Very high20 Ų2044.1 Ų44.121%0.20623%0.232CC..G310 helixtrans54.7-137.2175.600000113.7D58 A59G56-D58 VanDerWaalsContact C-N 3.28Å; G56-D58 PolarHBondContact O-N 2.93Å; G56-A59 WeakPolarHBondContact O-CB 3.36Å; G56-A59 PolarHBondContact O-N 3.46Å
57M91.8Very high94.7Very high118 Ų11847.5 Ų47.558%0.58125%0.25SS*.G310 helixtrans-68-24.7-179.4-66.5-65.9-70.600113.3A59 L60 W89 L129M57-A59 PolarHBondContact O-N 2.85Å; M57-L60 HydrophobicContact CE-CD1 3.63Å; M57-L60 VanDerWaalsContact O-CB 3.31Å; M57-L60 WeakPolarHBondContact O-CB 3.26Å; M57-L60 PolarHBondContact O-N 3.22Å; M57-L60 VanDerWaalsContact O-N 3.08Å; M57-L60 HydrophobicContact SD-CD1 3.74Å; M57-W89 HydrophobicContact CE-CZ2 4.03Å; M57-L129 HydrophobicContact SD-CD2 3.72Å
58D93.9Very high94.7Very high123 Ų12348.2 Ų48.266%0.65826%0.255SS*.G310 helixtrans-69-21.3179.8-68.5-28.2000112.2R32 L54 E55 G56 L60R32-D58 PolarHBondContact NH1-O 2.89Å; R32-D58 VanDerWaalsContact NH1-O 3.15Å; L54-D58 VanDerWaalsContact CD1-O 3.28Å; L54-D58 WeakPolarHBondContact CD1-O 3.47Å; E55-D58 PolarHBondContact O-N 3.49Å; G56-D58 VanDerWaalsContact C-N 3.28Å; G56-D58 PolarHBondContact O-N 2.93Å; D58-L60 PolarHBondContact O-N 3.44Å
59A94.8Very high94.6Very high4 Ų449.2 Ų49.23%0.03326%0.263CS..G310 helixtrans-71.5-14.9173.400000113.3I50 H51 L54 G56 M57I50-A59 CarbonylContact C-O 3.56Å; I50-A59 WeakPolarHBondContact CA-O 3.06Å; H51-A59 PolarHBondContact N-O 2.86Å; L54-A59 HydrophobicContact CB-CB 4.05Å; G56-A59 WeakPolarHBondContact O-CB 3.36Å; G56-A59 PolarHBondContact O-N 3.46Å; M57-A59 PolarHBondContact O-N 2.85Å
60L97.9Very high94.6Very high9 Ų954 Ų545%0.04729%0.285CS..SBendtrans-74.7158.9177.4-63.9175.4000111.5R32 I50 M57 D58 A86 W89 L129R32-L60 WeakPolarHBondContact CD-O 3.31Å; R32-L60 PolarHBondContact NH1-O 3.33Å; I50-L60 HydrophobicContact CG2-CD2 4.38Å; M57-L60 HydrophobicContact CE-CD1 3.63Å; M57-L60 VanDerWaalsContact O-CB 3.31Å; M57-L60 WeakPolarHBondContact O-CB 3.26Å; M57-L60 PolarHBondContact O-N 3.22Å; M57-L60 VanDerWaalsContact O-N 3.08Å; M57-L60 HydrophobicContact SD-CD1 3.74Å; D58-L60 PolarHBondContact O-N 3.44Å; L60-A86 HydrophobicContact CD2-CB 3.64Å; L60-W89 HydrophobicContact CD1-CD2 3.96Å; L60-W89 HydrophobicContact CD1-CE3 4.1Å; L60-W89 HydrophobicContact CD1-CH2 3.94Å; L60-W89 HydrophobicContact CD1-CZ2 3.76Å; L60-W89 HydrophobicContact CD1-CZ3 4.1Å; L60-W89 HydrophobicContact CD2-CD2 4.3Å; L60-W89 HydrophobicContact CD2-CE3 4.12Å; L60-L129 HydrophobicContact CD1-CD2 3.95Å; L60-L129 HydrophobicContact CD2-CD1 3.94Å; L60-L129 HydrophobicContact CD2-CD2 4.14Å; L60-L129 HydrophobicContact CG-CD1 4.44Å; L60-L129 HydrophobicContact CG-CD2 4Å
61P98.4Very high94.6Very high8 Ų853.9 Ų53.95%0.05229%0.285CS..  trans-63.1166.2163.3-13.528.1000111.3L24 R32 C34 G49 I63L24-P61 HydrophobicContact CB-CB 4.11Å; L24-P61 WeakPolarHBondContact O-CA 3.48Å; L24-P61 WeakPolarHBondContact O-CB 3.46Å; R32-P61 HydrophobicContact CB-CG 4.23Å; C34-P61 HydrophobicContact CB-CB 3.58Å; C34-P61 HydrophobicContact CB-CG 3.56Å; G49-P61 WeakPolarHBondContact O-CD 3.19Å; P61-I63 HydrophobicContact CB-CD1 3.94Å; P61-I63 HydrophobicContact CB-CG1 4.09Å; P61-I63 HydrophobicContact CG-CD1 4.22Å; P61-I63 HydrophobicContact CG-CG1 4.39Å; P61-I63 PolarHBondContact O-N 3.3Å
62Y98.3Very high94.8Very high94 Ų9454.8 Ų54.837%0.36929%0.291SS..  trans-72.458.9174.7-63.1-79.5000112.4L24 D64 L65 N457 T458L24-Y62 WeakPolarHBondContact O-CD2 3.34Å; L24-Y62 PolarHBondContact O-N 3.2Å; Y62-D64 WeakPolarHBondContact CA-OD1 3.49Å; Y62-D64 PolarHBondContact O-N 3.04Å; Y62-L65 PolarHBondContact O-N 3.37Å; Y62-N457 HydrophobicContact CD2-CB 3.88Å; Y62-N457 HydrophobicContact CE2-CB 3.71Å; Y62-T458 HydrophobicContact CD2-CG2 4.08Å; Y62-T458 HydrophobicContact CG-CG2 4.06Å
63I97.3Very high95.2Very high10 Ų1053.3 Ų53.35%0.05128%0.281CS..G310 helixtrans-67-22.1-176.6-59.5-62.1000111.8L24 M45 P61 L65 I66 P68 W89 F90L24-I63 HydrophobicContact CD1-CD1 4.18Å; M45-I63 HydrophobicContact CE-CD1 3.92Å; P61-I63 HydrophobicContact CB-CD1 3.94Å; P61-I63 HydrophobicContact CB-CG1 4.09Å; P61-I63 HydrophobicContact CG-CD1 4.22Å; P61-I63 HydrophobicContact CG-CG1 4.39Å; P61-I63 PolarHBondContact O-N 3.3Å; I63-L65 PolarHBondContact O-N 2.76Å; I63-L65 VanDerWaalsContact O-N 3.14Å; I63-I66 HydrophobicContact CG2-CG1 4.4Å; I63-I66 WeakPolarHBondContact O-CG1 3.4Å; I63-I66 PolarHBondContact O-N 3.43Å; I63-I66 VanDerWaalsContact O-N 3.15Å; I63-I66 VanDerWaalsContact O-O 3.14Å; I63-P68 HydrophobicContact CG2-CG 4.24Å; I63-W89 HydrophobicContact CB-CH2 4.39Å; I63-W89 HydrophobicContact CB-CZ3 4.4Å; I63-W89 HydrophobicContact CG1-CZ3 4.16Å; I63-W89 HydrophobicContact CG2-CH2 4.21Å; I63-W89 HydrophobicContact CG2-CZ3 4.22Å; I63-F90 HydrophobicContact CG2-CD2 4.31Å; I63-F90 HydrophobicContact CG2-CE2 4.04Å
64D95.6Very high95.8Very high133 Ų13352.3 Ų52.371%0.71127%0.271SS*.G310 helixtrans-61.6-16.6175.762.5-47.1000114Y62 I66Y62-D64 WeakPolarHBondContact CA-OD1 3.49Å; Y62-D64 PolarHBondContact O-N 3.04Å; D64-I66 VanDerWaalsContact C-N 3.3Å; D64-I66 PolarHBondContact O-N 2.9Å
65L95.9Very high96.2Very high75 Ų7549 Ų4939%0.39325%0.253SS..G310 helixtrans-81.5-4.5176.4-63.1-178.3000114.6L24 Y62 I63 T458L24-L65 HydrophobicContact CD2-CB 4.18Å; L24-L65 HydrophobicContact CD2-CD1 4.15Å; Y62-L65 PolarHBondContact O-N 3.37Å; I63-L65 PolarHBondContact O-N 2.76Å; I63-L65 VanDerWaalsContact O-N 3.14Å; L65-T458 HydrophobicContact CD1-CG2 3.35Å
66I96.4Very high96.7Very high21 Ų2141.2 Ų41.211%0.10822%0.217CC..SBendtrans-132.1160.6179.558.2156000110.9L24 I36 M45 I63 D64 P68 I71L24-I66 HydrophobicContact CD1-CD1 4.04Å; L24-I66 HydrophobicContact CD1-CG1 4Å; L24-I66 HydrophobicContact CD1-CG2 4.18Å; I36-I66 HydrophobicContact CD1-CD1 3.84Å; I36-I66 HydrophobicContact CG1-CD1 4.46Å; I36-I66 HydrophobicContact CG1-CG2 4.15Å; M45-I66 HydrophobicContact CE-CD1 3.46Å; M45-I66 VanDerWaalsContact CE-CD1 3.46Å; I63-I66 HydrophobicContact CG2-CG1 4.4Å; I63-I66 WeakPolarHBondContact O-CG1 3.4Å; I63-I66 PolarHBondContact O-N 3.43Å; I63-I66 VanDerWaalsContact O-N 3.15Å; I63-I66 VanDerWaalsContact O-O 3.14Å; D64-I66 VanDerWaalsContact C-N 3.3Å; D64-I66 PolarHBondContact O-N 2.9Å; I66-P68 WeakPolarHBondContact O-CD 3.37Å; I66-I71 HydrophobicContact CD1-CD1 3.93Å; I66-I71 HydrophobicContact CD1-CG1 4.08Å
67D97.6Very high97.2Very high71 Ų7140.3 Ų40.338%0.3821%0.207SC..  trans-94.4113.8163.7-177.50.1000109.1A69 E70 S95D67-A69 PolarHBondContact O-N 3.37Å; D67-A69 VanDerWaalsContact O-N 3.1Å; D67-A69 VanDerWaalsContact OD1-CB 3.3Å; D67-A69 WeakPolarHBondContact OD1-CB 3.31Å; D67-A69 PolarHBondContact OD1-N 2.98Å; D67-E70 HydrophobicContact CB-CG 4.09Å; D67-E70 PolarHBondContact O-N 3.32Å; D67-S95 PolarHBondContact OD1-OG 2.96Å
68P98.2Very high97.5Very high15 Ų1534.7 Ų34.710%0.09718%0.18CC..G310 helixtrans-54.5-27.7175.8-26.535.7000113.5I63 I66 E70 I71 F90 F96I63-P68 HydrophobicContact CG2-CG 4.24Å; I66-P68 WeakPolarHBondContact O-CD 3.37Å; P68-E70 PolarHBondContact O-N 3.44Å; P68-I71 PolarHBondContact O-N 3.16Å; P68-F90 HydrophobicContact CB-CE2 3.87Å; P68-F90 HydrophobicContact CB-CZ 3.94Å; P68-F90 HydrophobicContact CG-CE2 4.01Å; P68-F96 HydrophobicContact CB-CB 3.99Å; P68-F96 WeakPolarHBondContact O-CA 3.46Å; P68-F96 WeakPolarHBondContact O-CD2 3.45Å
69A97.8Very high97.7Very high21 Ų2128.9 Ų28.917%0.17415%0.149CC..G310 helixtrans-68.8-15.2179.400000114D67 S95 K97D67-A69 PolarHBondContact O-N 3.37Å; D67-A69 VanDerWaalsContact O-N 3.1Å; D67-A69 VanDerWaalsContact OD1-CB 3.3Å; D67-A69 WeakPolarHBondContact OD1-CB 3.31Å; D67-A69 PolarHBondContact OD1-N 2.98Å; A69-S95 WeakPolarHBondContact CA-O 3.46Å; A69-S95 PolarHBondContact N-OG 3.11Å; A69-K97 WeakPolarHBondContact O-CE 3.48Å; A69-K97 PolarHBondContact O-NZ 2.92Å
70E97.1Very high97.7Very high100 Ų10030.1 Ų30.147%0.46715%0.154SC..G310 helixtrans-97.1-6179.5-62.4-172.9156.900113.4K43 D67 P68 D72K43-E70 HydrophobicContact CD-CB 4.1Å; K43-E70 IonicContact NZ-OE2 3.18Å; K43-E70 PolarHBondContact NZ-OE2 2.87Å; D67-E70 HydrophobicContact CB-CG 4.09Å; D67-E70 PolarHBondContact O-N 3.32Å; P68-E70 PolarHBondContact O-N 3.44Å; E70-D72 PolarHBondContact O-N 3.01Å
71I98.4Very high97.5Very high3 Ų330.5 Ų30.52%0.01516%0.156CC..  trans-78.6118.1179.1-52.9-57.3000109.5I36 K43 M45 I66 P68 L73 F96 G98I36-I71 HydrophobicContact CD1-CD1 4.12Å; K43-I71 HydrophobicContact CB-CD1 3.86Å; K43-I71 HydrophobicContact CD-CD1 4.3Å; M45-I71 HydrophobicContact CB-CG2 3.93Å; I66-I71 HydrophobicContact CD1-CD1 3.93Å; I66-I71 HydrophobicContact CD1-CG1 4.08Å; P68-I71 PolarHBondContact O-N 3.16Å; I71-L73 WeakPolarHBondContact CG2-O 3.49Å; I71-F96 HydrophobicContact CB-CD2 4.01Å; I71-F96 HydrophobicContact CB-CE2 3.88Å; I71-F96 HydrophobicContact CG2-CD2 4.44Å; I71-F96 HydrophobicContact CG2-CE2 3.88Å; I71-G98 WeakPolarHBondContact O-CA 3.33Å
72D97.9Very high97.4Very high40 Ų4031.1 Ų31.121%0.21416%0.159CC..  trans-77.7-40.4-178.7-62.2-67.5000111.7R42 K43 E70 G98 R99 A154 I156R42-D72 VanDerWaalsContact CA-OD2 3.27Å; R42-D72 WeakPolarHBondContact CA-OD2 3.46Å; R42-D72 VanDerWaalsContact CD-OD2 3.26Å; R42-D72 WeakPolarHBondContact CD-OD2 3.23Å; K43-D72 PolarHBondContact N-OD2 2.81Å; K43-D72 PolarHBondContact O-N 3.2Å; E70-D72 PolarHBondContact O-N 3.01Å; D72-G98 WeakPolarHBondContact O-CA 3.42Å; D72-R99 PolarHBondContact O-N 3.32Å; D72-R99 VanDerWaalsContact O-N 3.09Å; D72-A154 HydrophobicContact CB-CB 4.42Å; D72-I156 HydrophobicContact CB-CD1 4.27Å
73L98.8Very high97.5Very high0 Ų026.6 Ų26.60%014%0.141CC..EExtended strand (participates in β ladder)trans-142135.1-168-170.467000111.2I44 M45 I71 L75 R99 F101 V153 I156 F158I44-L73 CarbonylContact C-O 2.93Å; I44-L73 WeakPolarHBondContact CA-O 3.27Å; I44-L73 HydrophobicContact CG1-CB 4.19Å; I44-L73 HydrophobicContact CG1-CD2 4.5Å; I44-L73 HydrophobicContact CG2-CB 4.31Å; I44-L73 HydrophobicContact CG2-CD2 4.43Å; M45-L73 PolarHBondContact N-O 3.48Å; I71-L73 WeakPolarHBondContact CG2-O 3.49Å; L73-L75 HydrophobicContact CD1-CD2 4.21Å; L73-L75 HydrophobicContact CD2-CD1 4.21Å; L73-L75 HydrophobicContact CD2-CD2 4Å; L73-L75 HydrophobicContact CD2-CG 4.12Å; L73-L75 HydrophobicContact CG-CD2 3.94Å; L73-L75 HydrophobicContact CG-CG 4.13Å; L73-R99 WeakPolarHBondContact CA-O 3.4Å; L73-F101 HydrophobicContact CD1-CD2 3.59Å; L73-F101 HydrophobicContact CD1-CE2 3.65Å; L73-V153 HydrophobicContact CD1-CB 4.01Å; L73-V153 HydrophobicContact CD1-CG1 4.11Å; L73-V153 HydrophobicContact CD1-CG2 3.88Å; L73-I156 HydrophobicContact CB-CD1 4.34Å; L73-I156 HydrophobicContact CD2-CD1 4.45Å; L73-I156 HydrophobicContact CD2-CG2 4Å; L73-F158 HydrophobicContact CD1-CE1 3.99Å; L73-F158 HydrophobicContact CD1-CZ 4.09Å; L73-F158 HydrophobicContact CD2-CD1 3.72Å; L73-F158 HydrophobicContact CD2-CE1 3.8Å; L73-F158 HydrophobicContact CD2-CG 4.31Å; L73-F158 HydrophobicContact CD2-CZ 4.43Å
74L98.9Very high97.5Very high0 Ų026.1 Ų26.10%014%0.139CC..EExtended strand (participates in β ladder)trans-121.4121.7172.1174.155.1000109.3M45 C48 I76 L87 F90 L91 F96 R99 T100 F101M45-L74 HydrophobicContact CB-CD1 3.77Å; M45-L74 HydrophobicContact CG-CD1 3.61Å; M45-L74 WeakPolarHBondContact O-CA 3.48Å; M45-L74 WeakPolarHBondContact O-CD1 3.18Å; M45-L74 HydrophobicContact SD-CD1 3.78Å; C48-L74 HydrophobicContact CB-CD1 4.38Å; L74-I76 HydrophobicContact CD1-CD1 3.75Å; L74-I76 HydrophobicContact CD2-CD1 4.4Å; L74-I76 HydrophobicContact CG-CD1 3.97Å; L74-I76 HydrophobicContact CG-CG1 4.43Å; L74-L87 HydrophobicContact CD2-CD1 3.35Å; L74-L87 HydrophobicContact CG-CD1 4.39Å; L74-F90 HydrophobicContact CD2-CD1 3.89Å; L74-F90 HydrophobicContact CD2-CE1 4.06Å; L74-L91 HydrophobicContact CD2-CD2 4.43Å; L74-F96 HydrophobicContact CB-CZ 4.13Å; L74-R99 PolarHBondContact N-O 3.14Å; L74-T100 HydrophobicContact CB-CG2 4.25Å; L74-T100 HydrophobicContact CD2-CG2 4.04Å; L74-T100 HydrophobicContact CG-CG2 3.97Å; L74-T100 CarbonylContact O-C 3.6Å; L74-T100 VanDerWaalsContact O-CA 3.29Å; L74-T100 WeakPolarHBondContact O-CA 3.4Å; L74-F101 PolarHBondContact O-N 2.92Å
75L98.9Very high97.6Very high0 Ų019.8 Ų19.80%011%0.105CC..EExtended strand (participates in β ladder)trans-113.9123179.8-59.1178.9000109.3M45 L46 D47 L73 F101 F158 F172 I174M45-L75 PolarHBondContact O-N 3.32Å; L46-L75 HydrophobicContact CD2-CB 4.15Å; L46-L75 HydrophobicContact CD2-CD1 4.07Å; L46-L75 HydrophobicContact CD2-CG 4.46Å; D47-L75 PolarHBondContact N-O 2.93Å; L73-L75 HydrophobicContact CD1-CD2 4.21Å; L73-L75 HydrophobicContact CD2-CD1 4.21Å; L73-L75 HydrophobicContact CD2-CD2 4Å; L73-L75 HydrophobicContact CD2-CG 4.12Å; L73-L75 HydrophobicContact CG-CD2 3.94Å; L73-L75 HydrophobicContact CG-CG 4.13Å; L75-F101 HydrophobicContact CD2-CB 3.88Å; L75-F101 HydrophobicContact CD2-CD2 4.34Å; L75-F101 HydrophobicContact CD2-CG 4.45Å; L75-F158 HydrophobicContact CD1-CB 4.48Å; L75-F158 HydrophobicContact CD1-CD2 4.47Å; L75-F158 HydrophobicContact CD2-CD2 3.81Å; L75-F158 HydrophobicContact CD2-CE2 3.77Å; L75-F158 HydrophobicContact CD2-CG 4.39Å; L75-F158 HydrophobicContact CD2-CZ 4.34Å; L75-F172 HydrophobicContact CB-CD1 4.36Å; L75-F172 HydrophobicContact CB-CD2 4.07Å; L75-F172 HydrophobicContact CB-CE1 4.42Å; L75-F172 HydrophobicContact CB-CE2 4.14Å; L75-F172 HydrophobicContact CB-CG 4.17Å; L75-F172 HydrophobicContact CB-CZ 4.31Å; L75-F172 HydrophobicContact CD1-CB 4.04Å; L75-F172 HydrophobicContact CD1-CD1 3.87Å; L75-F172 HydrophobicContact CD1-CE1 4.5Å; L75-F172 HydrophobicContact CD1-CG 3.95Å; L75-F172 HydrophobicContact CD2-CD1 4.22Å; L75-F172 HydrophobicContact CD2-CE1 4.04Å; L75-F172 HydrophobicContact CD2-CZ 4.5Å; L75-F172 HydrophobicContact CG-CD1 4.38Å; L75-I174 HydrophobicContact CD1-CD1 3.8Å; L75-I174 HydrophobicContact CD1-CG1 3.9Å
76I98.9Very high97.7Very high0 Ų016.2 Ų16.20%09%0.086CC..  trans-107.2115.3179.2-53.3-61.4000110.1D47 C48 L74 H78 C84 L87 T100 F101 M102 F172D47-I76 WeakPolarHBondContact OD1-CA 3.29Å; C48-I76 HydrophobicContact CB-CD1 4.26Å; L74-I76 HydrophobicContact CD1-CD1 3.75Å; L74-I76 HydrophobicContact CD2-CD1 4.4Å; L74-I76 HydrophobicContact CG-CD1 3.97Å; L74-I76 HydrophobicContact CG-CG1 4.43Å; I76-H78 WeakPolarHBondContact CG2-O 3.41Å; I76-C84 HydrophobicContact CG2-CB 3.72Å; I76-L87 HydrophobicContact CD1-CD1 4.23Å; I76-L87 HydrophobicContact CD1-CD2 4.39Å; I76-L87 HydrophobicContact CG1-CD2 4.03Å; I76-T100 HydrophobicContact CG1-CG2 4.3Å; I76-F101 PolarHBondContact N-O 3.22Å; I76-M102 HydrophobicContact CB-CE 3.88Å; I76-M102 HydrophobicContact CB-CG 3.73Å; I76-M102 HydrophobicContact CG1-CE 3.9Å; I76-M102 HydrophobicContact CG1-CG 4.27Å; I76-M102 HydrophobicContact CG2-CE 3.66Å; I76-M102 HydrophobicContact CG2-CG 4.2Å; I76-F172 WeakPolarHBondContact O-CE2 3.37Å
77S98.8Very high97.8Very high1 Ų115.2 Ų15.21%0.0078%0.081CC..  trans-63.7-50.5-175.364.70000111.8D47 H83 A169 A170D47-S77 VanDerWaalsContact CG-OG 3.28Å; D47-S77 PolarHBondContact OD1-N 3.44Å; D47-S77 PolarHBondContact OD1-OG 3.37Å; D47-S77 WeakPolarHBondContact OD2-CB 3.2Å; D47-S77 PolarHBondContact OD2-OG 2.92Å; S77-H83 PolarHBondContact OG-ND1 3.07Å; S77-A169 WeakPolarHBondContact O-CA 3.27Å; S77-A170 PolarHBondContact O-N 3.39Å
78H98.4Very high97.8Very high1 Ų111.9 Ų11.91%0.0056%0.063CC..  trans-158.9-178.8-176.570.7-74.8000112.5I76 H80 H83 H165 V166 A169 D186I76-H78 WeakPolarHBondContact CG2-O 3.41Å; H78-H80 AromaticContact CD2-CG 3.49Å; H78-H80 VanDerWaalsContact CD2-CG 3.49Å; H78-H80 PolarHBondContact CD2-N 3.48Å; H78-H80 AromaticContact CD2-ND1 3.33Å; H78-H80 PolarHBondContact CD2-ND1 3.44Å; H78-H80 VanDerWaalsContact CD2-ND1 3.33Å; H78-H80 WeakPolarHBondContact NE2-CB 3.11Å; H78-H80 AromaticContact NE2-CG 3.37Å; H78-H80 AromaticContact NE2-ND1 2.98Å; H78-H80 PolarHBondContact NE2-ND1 3Å; H78-H83 AromaticContact CE1-CD2 3.16Å; H78-H83 PolarHBondContact CE1-CD2 2.91Å; H78-H83 AromaticContact CE1-CE1 3.66Å; H78-H83 AromaticContact CE1-CG 3.25Å; H78-H83 AromaticContact CE1-ND1 3.57Å; H78-H83 AromaticContact CE1-NE2 3.48Å; H78-H83 PolarHBondContact CE1-NE2 3.48Å; H78-H83 AromaticContact ND1-CG 3.73Å; H78-H83 AromaticContact ND1-ND1 3.92Å; H78-H83 AromaticContact NE2-CD2 3.64Å; H78-H83 AromaticContact NE2-CG 4Å; H78-H165 AromaticContact CD2-CD2 3.96Å; H78-H165 AromaticContact NE2-CD2 3.87Å; H78-H165 AromaticContact NE2-NE2 3.7Å; H78-V166 HydrophobicContact CB-CG2 3.86Å; H78-A169 HydrophobicContact CB-CB 3.66Å; H78-D186 IonicContact CE1-OD2 3.72Å; H78-D186 IonicContact NE2-OD2 3.66Å
79F96.5Very high97.8Very high0 Ų012.9 Ų12.90%07%0.065CC..SBendtrans-91.61.6-166.261.2-110.3000115.2C84 T106 I109 L113 V166 L167 L250F79-C84 PolarHBondContact O-SG 2.94Å; F79-T106 HydrophobicContact CB-CG2 4.17Å; F79-I109 HydrophobicContact CB-CB 4.25Å; F79-I109 HydrophobicContact CB-CG2 3.97Å; F79-I109 HydrophobicContact CD1-CB 3.86Å; F79-I109 HydrophobicContact CD1-CD1 3.68Å; F79-I109 HydrophobicContact CD1-CG1 4.37Å; F79-I109 HydrophobicContact CD1-CG2 3.62Å; F79-I109 HydrophobicContact CD2-CG2 3.65Å; F79-I109 HydrophobicContact CE1-CB 4.34Å; F79-I109 HydrophobicContact CE1-CD1 3.42Å; F79-I109 VanDerWaalsContact CE1-CD1 3.42Å; F79-I109 HydrophobicContact CE1-CG1 4.46Å; F79-I109 HydrophobicContact CE1-CG2 3.9Å; F79-I109 HydrophobicContact CE2-CG2 3.94Å; F79-I109 HydrophobicContact CG-CB 4.03Å; F79-I109 HydrophobicContact CG-CG2 3.46Å; F79-I109 VanDerWaalsContact CG-CG2 3.46Å; F79-I109 HydrophobicContact CZ-CD1 4.17Å; F79-I109 HydrophobicContact CZ-CG2 4.03Å; F79-L113 HydrophobicContact CD2-CD1 3.53Å; F79-L113 HydrophobicContact CE2-CD1 4.03Å; F79-L113 WeakPolarHBondContact O-CD1 3.49Å; F79-V166 HydrophobicContact CD1-CG2 4.02Å; F79-V166 HydrophobicContact CE1-CB 3.7Å; F79-V166 HydrophobicContact CE1-CG2 3.57Å; F79-V166 HydrophobicContact CE2-CB 4.28Å; F79-V166 HydrophobicContact CE2-CG1 4.42Å; F79-V166 HydrophobicContact CE2-CG2 4.26Å; F79-V166 HydrophobicContact CZ-CB 3.52Å; F79-V166 HydrophobicContact CZ-CG1 4.02Å; F79-V166 HydrophobicContact CZ-CG2 3.73Å; F79-L167 HydrophobicContact CE1-CB 4.47Å; F79-L167 WeakPolarHBondContact CE1-O 3.41Å; F79-L250 HydrophobicContact CE2-CB 4.18Å
80H95.4Very high97.8Very high30 Ų3011.9 Ų11.914%0.1396%0.057CC..SBendtrans-68.2151.2179.1-69.2153.4000111.7H78 D82 H83 C84 H165 V166H78-H80 AromaticContact CD2-CG 3.49Å; H78-H80 VanDerWaalsContact CD2-CG 3.49Å; H78-H80 PolarHBondContact CD2-N 3.48Å; H78-H80 AromaticContact CD2-ND1 3.33Å; H78-H80 PolarHBondContact CD2-ND1 3.44Å; H78-H80 VanDerWaalsContact CD2-ND1 3.33Å; H78-H80 WeakPolarHBondContact NE2-CB 3.11Å; H78-H80 AromaticContact NE2-CG 3.37Å; H78-H80 AromaticContact NE2-ND1 2.98Å; H78-H80 PolarHBondContact NE2-ND1 3Å; H80-D82 VanDerWaalsContact C-N 3.27Å; H80-D82 WeakPolarHBondContact CB-OD1 3.24Å; H80-D82 PolarHBondContact O-N 3.32Å; H80-H83 PolarHBondContact O-N 2.71Å; H80-C84 PolarHBondContact O-N 3.35Å; H80-C84 PolarHBondContact O-SG 3.37Å; H80-H165 AromaticContact CE1-CD2 3.99Å; H80-H165 AromaticContact CE1-CE1 3.8Å; H80-H165 AromaticContact CE1-NE2 3.06Å; H80-H165 PolarHBondContact CE1-NE2 2.86Å; H80-H165 AromaticContact ND1-NE2 3.14Å; H80-H165 PolarHBondContact ND1-NE2 2.82Å; H80-H165 VanDerWaalsContact ND1-NE2 3.14Å; H80-V166 VanDerWaalsContact CE1-CG1 3.41Å; H80-V166 WeakPolarHBondContact CE1-CG1 3.5Å; H80-V166 WeakPolarHBondContact NE2-CG1 3.26Å
81L94.6Very high97.9Very high17 Ų177.2 Ų7.29%0.0894%0.035CC..Hα-helixtrans-60.7-36.8-172.5-70.9175.6000113G49 I50 H83 G85 L113 L114 Y117 F248G49-L81 VanDerWaalsContact CA-O 3.31Å; G49-L81 WeakPolarHBondContact CA-O 3.41Å; I50-L81 HydrophobicContact CD1-CB 4.35Å; I50-L81 HydrophobicContact CG1-CB 4.17Å; I50-L81 WeakPolarHBondContact CG1-O 3.33Å; I50-L81 PolarHBondContact N-O 2.87Å; L81-H83 PolarHBondContact O-N 3.06Å; L81-G85 WeakPolarHBondContact O-CA 3.42Å; L81-G85 PolarHBondContact O-N 3.07Å; L81-L113 HydrophobicContact CD1-CD2 4.48Å; L81-L113 HydrophobicContact CD2-CD2 3.38Å; L81-L113 HydrophobicContact CG-CD2 3.69Å; L81-L114 HydrophobicContact CD2-CD2 3.29Å; L81-Y117 HydrophobicContact CD1-CD2 3.82Å; L81-Y117 HydrophobicContact CD1-CG 4.36Å; L81-Y117 HydrophobicContact CD2-CD2 4.17Å; L81-Y117 HydrophobicContact CD2-CG 3.93Å; L81-F248 HydrophobicContact CD1-CE1 3.91Å; L81-F248 HydrophobicContact CD1-CZ 4.09Å
82D96.6Very high97.9Very high21 Ų219.2 Ų9.211%0.1124%0.044CC..Hα-helixtrans-70.6-5.1175.651.7-26.2000114.3S33 G49 I50 H80 H425S33-D82 WeakPolarHBondContact CA-O 3.45Å; S33-D82 WeakPolarHBondContact CB-O 3.04Å; S33-D82 PolarHBondContact N-O 3.16Å; S33-D82 PolarHBondContact OG-O 2.96Å; G49-D82 VanDerWaalsContact CA-C 3.48Å; G49-D82 WeakPolarHBondContact CA-O 3.33Å; I50-D82 WeakPolarHBondContact O-CA 3.21Å; H80-D82 VanDerWaalsContact C-N 3.27Å; H80-D82 WeakPolarHBondContact CB-OD1 3.24Å; H80-D82 PolarHBondContact O-N 3.32Å; D82-H425 IonicContact OD2-CE1 3.67Å; D82-H425 IonicContact OD2-NE2 3.62Å; D82-H425 PolarHBondContact OD2-NE2 3.19Å
83H98.6Very high97.9Very high0 Ų012.1 Ų12.10%06%0.055CC..Hα-helixtrans-119.5-25174.2-68.7-101.3000113.8S33 D47 C48 G49 S77 H78 H80 L81 D186 H425S33-H83 PolarHBondContact OG-CE1 3.13Å; S33-H83 PolarHBondContact OG-NE2 3.06Å; D47-H83 HydrophobicContact CB-CB 4.2Å; D47-H83 WeakPolarHBondContact CB-O 3.24Å; D47-H83 IonicContact OD2-CE1 3.55Å; D47-H83 IonicContact OD2-CG 2.68Å; D47-H83 IonicContact OD2-ND1 2.78Å; D47-H83 PolarHBondContact OD2-ND1 3.46Å; C48-H83 CarbonylContact C-O 3.55Å; C48-H83 VanDerWaalsContact C-O 3.25Å; C48-H83 PolarHBondContact N-O 3.24Å; G49-H83 PolarHBondContact N-O 3.23Å; S77-H83 PolarHBondContact OG-ND1 3.07Å; H78-H83 AromaticContact CE1-CD2 3.16Å; H78-H83 PolarHBondContact CE1-CD2 2.91Å; H78-H83 AromaticContact CE1-CE1 3.66Å; H78-H83 AromaticContact CE1-CG 3.25Å; H78-H83 AromaticContact CE1-ND1 3.57Å; H78-H83 AromaticContact CE1-NE2 3.48Å; H78-H83 PolarHBondContact CE1-NE2 3.48Å; H78-H83 AromaticContact ND1-CG 3.73Å; H78-H83 AromaticContact ND1-ND1 3.92Å; H78-H83 AromaticContact NE2-CD2 3.64Å; H78-H83 AromaticContact NE2-CG 4Å; H80-H83 PolarHBondContact O-N 2.71Å; L81-H83 PolarHBondContact O-N 3.06Å; H83-D186 IonicContact CE1-OD1 3.83Å; H83-D186 IonicContact NE2-OD1 3.92Å; H83-D186 IonicContact NE2-OD2 3.26Å; H83-D186 PolarHBondContact NE2-OD2 3.24Å; H83-H425 AromaticContact NE2-CD2 3.75Å; H83-H425 AromaticContact NE2-CE1 3.93Å; H83-H425 AromaticContact NE2-NE2 3.51Å
84C98.3Very high97.8Very high0 Ų013.7 Ų13.70%07%0.065CC..Hα-helixtrans-1340.1-178.5750000115.1C48 I76 F79 H80 A86 L87 M102 Y110C48-C84 CarbonylContact O-C 3.39Å; C48-C84 VanDerWaalsContact O-CA 3.32Å; C48-C84 WeakPolarHBondContact O-CA 3.39Å; I76-C84 HydrophobicContact CG2-CB 3.72Å; F79-C84 PolarHBondContact O-SG 2.94Å; H80-C84 PolarHBondContact O-N 3.35Å; H80-C84 PolarHBondContact O-SG 3.37Å; C84-A86 VanDerWaalsContact C-N 3.31Å; C84-A86 PolarHBondContact O-N 2.92Å; C84-L87 WeakPolarHBondContact O-CB 3.2Å; C84-L87 PolarHBondContact O-N 3.28Å; C84-L87 VanDerWaalsContact O-N 3.17Å; C84-M102 HydrophobicContact CB-CE 4.26Å; C84-Y110 HydrophobicContact CB-CD2 4.11Å; C84-Y110 HydrophobicContact CB-CE2 4.33Å
85G97.1Very high97.8Very high0 Ų016.8 Ų16.80%09%0.086CC..THydrogen-bonded Turntrans-69.3-22.2-172.200000115C48 L81 Y130C48-G85 PolarHBondContact O-N 3.03Å; L81-G85 WeakPolarHBondContact O-CA 3.42Å; L81-G85 PolarHBondContact O-N 3.07Å; G85-Y130 WeakPolarHBondContact O-CE1 3.32Å; G85-Y130 PolarHBondContact O-OH 3.44Å
86A98.2Very high97.8Very high0 Ų017.8 Ų17.80%09%0.091CC..THydrogen-bonded Turntrans-91-5.1175.600000112.5C48 G49 I50 L60 C84 W89 F90C48-A86 PolarHBondContact O-N 3.5Å; G49-A86 WeakPolarHBondContact O-CB 3.41Å; I50-A86 HydrophobicContact CG2-CB 3.86Å; L60-A86 HydrophobicContact CD2-CB 3.64Å; C84-A86 VanDerWaalsContact C-N 3.31Å; C84-A86 PolarHBondContact O-N 2.92Å; A86-W89 WeakPolarHBondContact O-CB 3.49Å; A86-W89 PolarHBondContact O-N 3.47Å; A86-F90 PolarHBondContact O-N 3.18Å
87L98.6Very high97.7Very high0 Ų025.7 Ų25.70%013%0.125CC..Hα-helixtrans-60.5-43.5-172.9-173.665.4000114.4C48 L74 I76 C84 W89 F90 L91 T100 M102 Y110 I142C48-L87 HydrophobicContact CB-CD1 4.42Å; C48-L87 PolarHBondContact O-N 2.92Å; L74-L87 HydrophobicContact CD2-CD1 3.35Å; L74-L87 HydrophobicContact CG-CD1 4.39Å; I76-L87 HydrophobicContact CD1-CD1 4.23Å; I76-L87 HydrophobicContact CD1-CD2 4.39Å; I76-L87 HydrophobicContact CG1-CD2 4.03Å; C84-L87 WeakPolarHBondContact O-CB 3.2Å; C84-L87 PolarHBondContact O-N 3.28Å; C84-L87 VanDerWaalsContact O-N 3.17Å; L87-W89 VanDerWaalsContact C-N 3.32Å; L87-W89 PolarHBondContact O-N 3.11Å; L87-F90 PolarHBondContact O-N 3.43Å; L87-L91 HydrophobicContact CD1-CD1 3.81Å; L87-L91 HydrophobicContact CD1-CD2 4.14Å; L87-L91 HydrophobicContact CD1-CG 3.73Å; L87-L91 HydrophobicContact CD2-CD1 4.28Å; L87-L91 HydrophobicContact CG-CD1 3.73Å; L87-L91 HydrophobicContact CG-CG 4.02Å; L87-L91 WeakPolarHBondContact O-CB 3.33Å; L87-L91 VanDerWaalsContact O-CG 3.32Å; L87-L91 WeakPolarHBondContact O-CG 3.42Å; L87-L91 PolarHBondContact O-N 3.42Å; L87-T100 HydrophobicContact CD1-CG2 4.29Å; L87-T100 HydrophobicContact CD2-CG2 4.47Å; L87-M102 HydrophobicContact CD2-CE 3.32Å; L87-Y110 HydrophobicContact CB-CE2 4.09Å; L87-Y110 HydrophobicContact CD2-CE2 3.75Å; L87-Y110 HydrophobicContact CG-CE2 4.38Å; L87-I142 HydrophobicContact CD2-CD1 3.84Å; L87-I142 HydrophobicContact CD2-CG1 4.39Å
88P98.3Very high97.6Very high0 Ų026.7 Ų26.70%014%0.135CC..Hα-helixtrans-59.8-43.1177.1-22.431.6000112.4L91 Q92 Y110 L114 Y130 L135P88-L91 PolarHBondContact O-N 3.12Å; P88-Q92 WeakPolarHBondContact O-CB 3.46Å; P88-Q92 PolarHBondContact O-N 2.95Å; P88-Y110 WeakPolarHBondContact CD-OH 3.37Å; P88-Y110 VanDerWaalsContact CG-OH 3.28Å; P88-Y110 WeakPolarHBondContact CG-OH 3.49Å; P88-L114 HydrophobicContact CG-CD1 3.48Å; P88-L114 VanDerWaalsContact CG-CD1 3.48Å; P88-Y130 HydrophobicContact CB-CD1 4.04Å; P88-Y130 HydrophobicContact CB-CD2 3.67Å; P88-Y130 HydrophobicContact CB-CE1 4.27Å; P88-Y130 HydrophobicContact CB-CE2 3.93Å; P88-Y130 HydrophobicContact CB-CG 3.72Å; P88-Y130 HydrophobicContact CG-CD1 4.36Å; P88-Y130 HydrophobicContact CG-CD2 3.91Å; P88-Y130 HydrophobicContact CG-CE1 4.08Å; P88-Y130 HydrophobicContact CG-CE2 3.62Å; P88-Y130 HydrophobicContact CG-CG 4.27Å; P88-L135 HydrophobicContact CG-CB 4.49Å; P88-L135 HydrophobicContact CG-CD1 3.92Å
89W98Very high97.6Very high37 Ų3731.3 Ų31.314%0.1415%0.153CC..Hα-helixtrans-61.1-47.1175173.392.8000110.7M57 L60 I63 A86 L87 L91 K93 T94 Y130M57-W89 HydrophobicContact CE-CZ2 4.03Å; L60-W89 HydrophobicContact CD1-CD2 3.96Å; L60-W89 HydrophobicContact CD1-CE3 4.1Å; L60-W89 HydrophobicContact CD1-CH2 3.94Å; L60-W89 HydrophobicContact CD1-CZ2 3.76Å; L60-W89 HydrophobicContact CD1-CZ3 4.1Å; L60-W89 HydrophobicContact CD2-CD2 4.3Å; L60-W89 HydrophobicContact CD2-CE3 4.12Å; I63-W89 HydrophobicContact CB-CH2 4.39Å; I63-W89 HydrophobicContact CB-CZ3 4.4Å; I63-W89 HydrophobicContact CG1-CZ3 4.16Å; I63-W89 HydrophobicContact CG2-CH2 4.21Å; I63-W89 HydrophobicContact CG2-CZ3 4.22Å; A86-W89 WeakPolarHBondContact O-CB 3.49Å; A86-W89 PolarHBondContact O-N 3.47Å; L87-W89 VanDerWaalsContact C-N 3.32Å; L87-W89 PolarHBondContact O-N 3.11Å; W89-L91 PolarHBondContact O-N 3.25Å; W89-K93 HydrophobicContact CG-CB 4.48Å; W89-K93 WeakPolarHBondContact O-CA 3.34Å; W89-K93 WeakPolarHBondContact O-CB 3.46Å; W89-K93 PolarHBondContact O-N 3.37Å; W89-T94 HydrophobicContact CD2-CG2 4.47Å; W89-T94 HydrophobicContact CE3-CG2 4.13Å; W89-T94 HydrophobicContact CH2-CG2 3.8Å; W89-T94 HydrophobicContact CZ2-CG2 4.16Å; W89-T94 HydrophobicContact CZ3-CG2 3.79Å; W89-Y130 HydrophobicContact CB-CD1 3.95Å
90F98.6Very high97.8Very high0 Ų031.4 Ų31.40%015%0.153CC..Hα-helixtrans-63-43.1-179.1-171.2-104.1000112.2M45 I63 P68 L74 A86 L87 T94 F96M45-F90 HydrophobicContact CE-CE1 4.19Å; M45-F90 HydrophobicContact CE-CE2 3.68Å; M45-F90 HydrophobicContact CE-CZ 3.48Å; M45-F90 VanDerWaalsContact CE-CZ 3.48Å; M45-F90 HydrophobicContact SD-CD1 4.46Å; M45-F90 HydrophobicContact SD-CE1 3.99Å; M45-F90 HydrophobicContact SD-CE2 4.28Å; M45-F90 HydrophobicContact SD-CZ 3.9Å; I63-F90 HydrophobicContact CG2-CD2 4.31Å; I63-F90 HydrophobicContact CG2-CE2 4.04Å; P68-F90 HydrophobicContact CB-CE2 3.87Å; P68-F90 HydrophobicContact CB-CZ 3.94Å; P68-F90 HydrophobicContact CG-CE2 4.01Å; L74-F90 HydrophobicContact CD2-CD1 3.89Å; L74-F90 HydrophobicContact CD2-CE1 4.06Å; A86-F90 PolarHBondContact O-N 3.18Å; L87-F90 PolarHBondContact O-N 3.43Å; F90-T94 HydrophobicContact CD2-CG2 4.08Å; F90-T94 WeakPolarHBondContact O-CB 3.14Å; F90-T94 WeakPolarHBondContact O-CG2 3.19Å; F90-T94 PolarHBondContact O-OG1 2.85Å; F90-F96 HydrophobicContact CD1-CB 4.33Å; F90-F96 HydrophobicContact CD1-CD1 4.41Å; F90-F96 HydrophobicContact CD1-CG 4.16Å; F90-F96 HydrophobicContact CE1-CB 3.81Å; F90-F96 HydrophobicContact CE1-CD1 4.09Å; F90-F96 AromaticContact CE1-CD2 3.47Å; F90-F96 HydrophobicContact CE1-CD2 3.47Å; F90-F96 VanDerWaalsContact CE1-CD2 3.47Å; F90-F96 AromaticContact CE1-CE2 4Å; F90-F96 HydrophobicContact CE1-CE2 4Å; F90-F96 AromaticContact CE1-CG 3.5Å; F90-F96 HydrophobicContact CE1-CG 3.5Å; F90-F96 HydrophobicContact CE1-CZ 4.49Å; F90-F96 HydrophobicContact CZ-CB 4.06Å; F90-F96 AromaticContact CZ-CD2 3.87Å; F90-F96 HydrophobicContact CZ-CD2 3.87Å; F90-F96 HydrophobicContact CZ-CG 4.09Å
91L98.5Very high97.9Very high2 Ų230 Ų301%0.0115%0.146CC..Hα-helixtrans-75.9-30.6-176.8-66.5-177.3000114.2L74 L87 P88 W89 F96 T100 K141 I142L74-L91 HydrophobicContact CD2-CD2 4.43Å; L87-L91 HydrophobicContact CD1-CD1 3.81Å; L87-L91 HydrophobicContact CD1-CD2 4.14Å; L87-L91 HydrophobicContact CD1-CG 3.73Å; L87-L91 HydrophobicContact CD2-CD1 4.28Å; L87-L91 HydrophobicContact CG-CD1 3.73Å; L87-L91 HydrophobicContact CG-CG 4.02Å; L87-L91 WeakPolarHBondContact O-CB 3.33Å; L87-L91 VanDerWaalsContact O-CG 3.32Å; L87-L91 WeakPolarHBondContact O-CG 3.42Å; L87-L91 PolarHBondContact O-N 3.42Å; P88-L91 PolarHBondContact O-N 3.12Å; W89-L91 PolarHBondContact O-N 3.25Å; L91-F96 HydrophobicContact CD2-CD1 3.49Å; L91-F96 VanDerWaalsContact CD2-CD1 3.49Å; L91-F96 HydrophobicContact CD2-CE1 3.45Å; L91-F96 VanDerWaalsContact CD2-CE1 3.45Å; L91-T100 WeakPolarHBondContact CD2-OG1 3.38Å; L91-K141 HydrophobicContact CB-CD 4.26Å; L91-K141 HydrophobicContact CD1-CB 4.32Å; L91-K141 PolarHBondContact O-NZ 3.49Å; L91-I142 HydrophobicContact CD1-CD1 4.19Å; L91-I142 HydrophobicContact CD1-CG1 3.82Å
92Q97.9Very high98.1Very high44 Ų4429.1 Ų29.121%0.20614%0.142CC..Hα-helixtrans-105.4-32.3-174.6-60-55.6-15.100114.1P88 D134 E137P88-Q92 WeakPolarHBondContact O-CB 3.46Å; P88-Q92 PolarHBondContact O-N 2.95Å; Q92-D134 HydrophobicContact CG-CB 4.37Å; Q92-D134 WeakPolarHBondContact CG-O 3.22Å; Q92-E137 PolarHBondContact NE2-O 3.36Å; Q92-E137 VanDerWaalsContact NE2-O 3.09Å
93K97.4Very high98.2Very high101 Ų10128.2 Ų28.244%0.43914%0.137SC..Hα-helixtrans-108.611.1-170.4-57.1-166.4175.9-178.50113.7W89 L129 D134W89-K93 HydrophobicContact CG-CB 4.48Å; W89-K93 WeakPolarHBondContact O-CA 3.34Å; W89-K93 WeakPolarHBondContact O-CB 3.46Å; W89-K93 PolarHBondContact O-N 3.37Å; K93-L129 PolarHBondContact NZ-O 3.23Å; K93-D134 WeakPolarHBondContact CE-OD2 3.47Å; K93-D134 IonicContact NZ-OD2 3.51Å
94T98.1Very high98.2Very high34 Ų3431.2 Ų31.221%0.20915%0.151CC..SBendtrans-125.7175.6175.883.80000112.2W89 F90 F96W89-T94 HydrophobicContact CD2-CG2 4.47Å; W89-T94 HydrophobicContact CE3-CG2 4.13Å; W89-T94 HydrophobicContact CH2-CG2 3.8Å; W89-T94 HydrophobicContact CZ2-CG2 4.16Å; W89-T94 HydrophobicContact CZ3-CG2 3.79Å; F90-T94 HydrophobicContact CD2-CG2 4.08Å; F90-T94 WeakPolarHBondContact O-CB 3.14Å; F90-T94 WeakPolarHBondContact O-CG2 3.19Å; F90-T94 PolarHBondContact O-OG1 2.85Å; T94-F96 PolarHBondContact O-N 3.16Å; T94-F96 WeakPolarHBondContact OG1-CB 3.44Å; T94-F96 PolarHBondContact OG1-N 3.06Å
95S98.2Very high98.1Very high65 Ų6531.3 Ų31.346%0.45515%0.152SC..  trans-77.76.4176.456.40000114.3D67 A69 K97D67-S95 PolarHBondContact OD1-OG 2.96Å; A69-S95 WeakPolarHBondContact CA-O 3.46Å; A69-S95 PolarHBondContact N-OG 3.11Å; S95-K97 PolarHBondContact O-N 3.33Å
96F98.5Very high98.1Very high21 Ų2131.3 Ų31.39%0.09215%0.152CC..  trans-59.2132.3-177.7177.4-104.2000112.7P68 I71 L74 F90 L91 T94 G98P68-F96 HydrophobicContact CB-CB 3.99Å; P68-F96 WeakPolarHBondContact O-CA 3.46Å; P68-F96 WeakPolarHBondContact O-CD2 3.45Å; I71-F96 HydrophobicContact CB-CD2 4.01Å; I71-F96 HydrophobicContact CB-CE2 3.88Å; I71-F96 HydrophobicContact CG2-CD2 4.44Å; I71-F96 HydrophobicContact CG2-CE2 3.88Å; L74-F96 HydrophobicContact CB-CZ 4.13Å; F90-F96 HydrophobicContact CD1-CB 4.33Å; F90-F96 HydrophobicContact CD1-CD1 4.41Å; F90-F96 HydrophobicContact CD1-CG 4.16Å; F90-F96 HydrophobicContact CE1-CB 3.81Å; F90-F96 HydrophobicContact CE1-CD1 4.09Å; F90-F96 AromaticContact CE1-CD2 3.47Å; F90-F96 HydrophobicContact CE1-CD2 3.47Å; F90-F96 VanDerWaalsContact CE1-CD2 3.47Å; F90-F96 AromaticContact CE1-CE2 4Å; F90-F96 HydrophobicContact CE1-CE2 4Å; F90-F96 AromaticContact CE1-CG 3.5Å; F90-F96 HydrophobicContact CE1-CG 3.5Å; F90-F96 HydrophobicContact CE1-CZ 4.49Å; F90-F96 HydrophobicContact CZ-CB 4.06Å; F90-F96 AromaticContact CZ-CD2 3.87Å; F90-F96 HydrophobicContact CZ-CD2 3.87Å; F90-F96 HydrophobicContact CZ-CG 4.09Å; L91-F96 HydrophobicContact CD2-CD1 3.49Å; L91-F96 VanDerWaalsContact CD2-CD1 3.49Å; L91-F96 HydrophobicContact CD2-CE1 3.45Å; L91-F96 VanDerWaalsContact CD2-CE1 3.45Å; T94-F96 PolarHBondContact O-N 3.16Å; T94-F96 WeakPolarHBondContact OG1-CB 3.44Å; T94-F96 PolarHBondContact OG1-N 3.06Å; F96-G98 VanDerWaalsContact CE1-O 3.3Å; F96-G98 WeakPolarHBondContact CE1-O 3.26Å; F96-G98 VanDerWaalsContact CZ-CA 3.43Å; F96-G98 WeakPolarHBondContact CZ-O 3.47Å
97K97Very high98.1Very high165 Ų16533.5 Ų33.572%0.71716%0.162SC*.  trans-135.45.3-179.668.6-171.6-177.1-148.60113.8A69 S95A69-K97 WeakPolarHBondContact O-CE 3.48Å; A69-K97 PolarHBondContact O-NZ 2.92Å; S95-K97 PolarHBondContact O-N 3.33Å
98G97.7Very high97.9Very high22 Ų2234.4 Ų34.423%0.22717%0.17CC..SBendtrans-73.3-174.8177.200000112.3I71 D72 F96I71-G98 WeakPolarHBondContact O-CA 3.33Å; D72-G98 WeakPolarHBondContact O-CA 3.42Å; F96-G98 VanDerWaalsContact CE1-O 3.3Å; F96-G98 WeakPolarHBondContact CE1-O 3.26Å; F96-G98 VanDerWaalsContact CZ-CA 3.43Å; F96-G98 WeakPolarHBondContact CZ-O 3.47Å
99R98.6Very high97.7Very high99 Ų9934.4 Ų34.437%0.37417%0.17SC..EExtended strand (participates in β ladder)trans-102.5140.8178.7-64.6172.167.1-172.52.7110.6D72 L73 L74 F101 E143D72-R99 PolarHBondContact O-N 3.32Å; D72-R99 VanDerWaalsContact O-N 3.09Å; L73-R99 WeakPolarHBondContact CA-O 3.4Å; L74-R99 PolarHBondContact N-O 3.14Å; R99-F101 HydrophobicContact CB-CE2 3.81Å; R99-E143 IonicContact CZ-OE1 3.64Å; R99-E143 VanDerWaalsContact CZ-OE1 3.3Å; R99-E143 IonicContact CZ-OE2 3.33Å; R99-E143 IonicContact NE-OE1 2.84Å; R99-E143 PolarHBondContact NE-OE1 3.5Å; R99-E143 IonicContact NE-OE2 3.5Å; R99-E143 VanDerWaalsContact NH2-CD 3.28Å; R99-E143 IonicContact NH2-OE1 2.76Å; R99-E143 PolarHBondContact NH2-OE1 2.8Å; R99-E143 VanDerWaalsContact NH2-OE1 3.08Å; R99-E143 IonicContact NH2-OE2 3.25Å; R99-E143 PolarHBondContact NH2-OE2 2.81Å
100T98.9Very high97.6Very high1 Ų132.7 Ų32.71%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-115.3135.9-178.8-58.50000110.6L74 I76 L87 L91 I142 E143L74-T100 HydrophobicContact CB-CG2 4.25Å; L74-T100 HydrophobicContact CD2-CG2 4.04Å; L74-T100 HydrophobicContact CG-CG2 3.97Å; L74-T100 CarbonylContact O-C 3.6Å; L74-T100 VanDerWaalsContact O-CA 3.29Å; L74-T100 WeakPolarHBondContact O-CA 3.4Å; I76-T100 HydrophobicContact CG1-CG2 4.3Å; L87-T100 HydrophobicContact CD1-CG2 4.29Å; L87-T100 HydrophobicContact CD2-CG2 4.47Å; L91-T100 WeakPolarHBondContact CD2-OG1 3.38Å; T100-I142 HydrophobicContact CG2-CG1 4.15Å; T100-I142 HydrophobicContact CG2-CG2 4.47Å; T100-E143 WeakPolarHBondContact O-CB 3.44Å; T100-E143 PolarHBondContact O-N 2.91Å
101F98.9Very high97.4Very high0 Ų034.3 Ų34.30%017%0.169CC..EExtended strand (participates in β ladder)trans-126.2139179.1-69.2-96.1000113.1L73 L74 L75 I76 R99 E143 I145 V153 F158L73-F101 HydrophobicContact CD1-CD2 3.59Å; L73-F101 HydrophobicContact CD1-CE2 3.65Å; L74-F101 PolarHBondContact O-N 2.92Å; L75-F101 HydrophobicContact CD2-CB 3.88Å; L75-F101 HydrophobicContact CD2-CD2 4.34Å; L75-F101 HydrophobicContact CD2-CG 4.45Å; I76-F101 PolarHBondContact N-O 3.22Å; R99-F101 HydrophobicContact CB-CE2 3.81Å; F101-E143 WeakPolarHBondContact CA-O 3.49Å; F101-E143 HydrophobicContact CD1-CB 3.74Å; F101-E143 HydrophobicContact CE1-CB 3.55Å; F101-E143 HydrophobicContact CE1-CG 4.41Å; F101-E143 HydrophobicContact CG-CB 4.36Å; F101-E143 HydrophobicContact CZ-CB 4.03Å; F101-E143 HydrophobicContact CZ-CG 4.49Å; F101-I145 HydrophobicContact CD1-CB 4.3Å; F101-V153 HydrophobicContact CE2-CG2 3.77Å; F101-V153 HydrophobicContact CZ-CG2 4.01Å; F101-F158 HydrophobicContact CB-CE2 4.23Å; F101-F158 HydrophobicContact CD1-CE2 4.1Å; F101-F158 HydrophobicContact CD1-CZ 4.08Å; F101-F158 HydrophobicContact CD2-CE2 4.03Å; F101-F158 AromaticContact CD2-CZ 3.64Å; F101-F158 HydrophobicContact CD2-CZ 3.64Å; F101-F158 HydrophobicContact CE1-CE2 4.5Å; F101-F158 HydrophobicContact CE1-CZ 4.08Å; F101-F158 HydrophobicContact CE2-CE1 4.47Å; F101-F158 HydrophobicContact CE2-CE2 4.45Å; F101-F158 AromaticContact CE2-CZ 3.65Å; F101-F158 HydrophobicContact CE2-CZ 3.65Å; F101-F158 AromaticContact CG-CE2 3.84Å; F101-F158 HydrophobicContact CG-CE2 3.84Å; F101-F158 AromaticContact CG-CZ 3.86Å; F101-F158 HydrophobicContact CG-CZ 3.86Å; F101-F158 AromaticContact CZ-CZ 3.86Å; F101-F158 HydrophobicContact CZ-CZ 3.86Å
102M98.9Very high97Very high0 Ų037.2 Ų37.20%018%0.18CC..EExtended strand (participates in β ladder)trans-131.9163169.7-79.2176.417600109.8I76 C84 L87 T106 K107 Y110 I142 E143 T144 I145I76-M102 HydrophobicContact CB-CE 3.88Å; I76-M102 HydrophobicContact CB-CG 3.73Å; I76-M102 HydrophobicContact CG1-CE 3.9Å; I76-M102 HydrophobicContact CG1-CG 4.27Å; I76-M102 HydrophobicContact CG2-CE 3.66Å; I76-M102 HydrophobicContact CG2-CG 4.2Å; C84-M102 HydrophobicContact CB-CE 4.26Å; L87-M102 HydrophobicContact CD2-CE 3.32Å; M102-T106 HydrophobicContact CB-CG2 4.15Å; M102-T106 HydrophobicContact CE-CG2 4.39Å; M102-T106 HydrophobicContact CG-CG2 3.86Å; M102-T106 HydrophobicContact SD-CG2 3.91Å; M102-K107 HydrophobicContact CB-CB 4.15Å; M102-K107 HydrophobicContact SD-CB 4.04Å; M102-Y110 HydrophobicContact CE-CD2 3.66Å; M102-Y110 HydrophobicContact CE-CE2 3.98Å; M102-Y110 HydrophobicContact CE-CG 3.93Å; M102-Y110 HydrophobicContact SD-CG 4.31Å; M102-I142 HydrophobicContact CB-CG2 4.06Å; M102-I142 HydrophobicContact CE-CD1 4.32Å; M102-I142 HydrophobicContact CG-CG2 3.93Å; M102-I142 HydrophobicContact SD-CD1 4.33Å; M102-I142 HydrophobicContact SD-CG2 3.75Å; M102-E143 PolarHBondContact N-O 2.96Å; M102-T144 CarbonylContact O-C 3.19Å; M102-T144 VanDerWaalsContact O-CA 3.24Å; M102-T144 WeakPolarHBondContact O-CA 3.36Å; M102-I145 PolarHBondContact O-N 3.38Å
103T98.6Very high96.6Very high2 Ų235.6 Ų35.61%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-70.1161.316173.20000110.6A105 T106 K107 F147 G168 A170T103-A105 VanDerWaalsContact C-N 3.34Å; T103-A105 PolarHBondContact O-N 3.46Å; T103-T106 PolarHBondContact O-N 2.82Å; T103-T106 WeakPolarHBondContact OG1-CB 3.29Å; T103-T106 PolarHBondContact OG1-N 2.83Å; T103-T106 PolarHBondContact OG1-OG1 3.09Å; T103-K107 PolarHBondContact O-N 2.78Å; T103-F147 HydrophobicContact CG2-CE1 4.01Å; T103-F147 HydrophobicContact CG2-CE2 4.33Å; T103-F147 HydrophobicContact CG2-CZ 3.8Å; T103-G168 WeakPolarHBondContact CB-O 3.39Å; T103-G168 VanDerWaalsContact CG2-O 3.25Å; T103-G168 WeakPolarHBondContact CG2-O 3.37Å; T103-G168 PolarHBondContact OG1-O 2.9Å; T103-A170 HydrophobicContact CG2-CB 3.63Å
104H97.7Very high96.3Very high62 Ų6230.8 Ų30.829%0.28715%0.152SC..Hα-helixtrans-56.6-45.3179.1-70.1-82.7000113A108 T144 N146 Y292H104-A108 PolarHBondContact O-N 3.32Å; H104-T144 VanDerWaalsContact CE1-CB 3.47Å; H104-T144 WeakPolarHBondContact CE1-CB 3.44Å; H104-T144 PolarHBondContact CE1-OG1 3.45Å; H104-N146 PolarHBondContact CD2-OD1 3.1Å; H104-N146 PolarHBondContact NE2-OD1 3.06Å; H104-N146 VanDerWaalsContact NE2-OD1 3.12Å; H104-Y292 HydrophobicContact CB-CE1 3.72Å; H104-Y292 PolarHBondContact O-OH 2.93Å
105A95.9Very high95.9Very high3 Ų329.3 Ų29.33%0.02514%0.143CC..Hα-helixtrans-68-42.6179.600000111.5T103 K107 A108 I109 L167 Y292T103-A105 VanDerWaalsContact C-N 3.34Å; T103-A105 PolarHBondContact O-N 3.46Å; A105-K107 PolarHBondContact O-N 2.93Å; A105-A108 PolarHBondContact O-N 2.9Å; A105-I109 WeakPolarHBondContact O-CB 3.24Å; A105-I109 VanDerWaalsContact O-CG1 3.28Å; A105-I109 WeakPolarHBondContact O-CG1 3.32Å; A105-I109 PolarHBondContact O-N 3.24Å; A105-L167 HydrophobicContact CB-CG 4.26Å; A105-Y292 HydrophobicContact CB-CD1 4.09Å; A105-Y292 HydrophobicContact CB-CD2 4.15Å; A105-Y292 HydrophobicContact CB-CG 3.85Å
106T97.6Very high95.3Very high0 Ų026.9 Ų26.90%012%0.124CC..Hα-helixtrans-56.9-48.8176.3-62.60000111.3F79 M102 T103 A108 I109 Y110 G168F79-T106 HydrophobicContact CB-CG2 4.17Å; M102-T106 HydrophobicContact CB-CG2 4.15Å; M102-T106 HydrophobicContact CE-CG2 4.39Å; M102-T106 HydrophobicContact CG-CG2 3.86Å; M102-T106 HydrophobicContact SD-CG2 3.91Å; T103-T106 PolarHBondContact O-N 2.82Å; T103-T106 WeakPolarHBondContact OG1-CB 3.29Å; T103-T106 PolarHBondContact OG1-N 2.83Å; T103-T106 PolarHBondContact OG1-OG1 3.09Å; T106-A108 PolarHBondContact O-N 3.25Å; T106-I109 PolarHBondContact O-N 3.4Å; T106-Y110 WeakPolarHBondContact O-CB 3.37Å; T106-Y110 PolarHBondContact O-N 3.21Å; T106-G168 PolarHBondContact OG1-O 3.43Å; T106-G168 VanDerWaalsContact OG1-O 3.07Å
107K97.7Very high94.7Very high45 Ų4528.5 Ų28.520%0.19613%0.13CC..Hα-helixtrans-60.8-41.8178.8-174.5178-179.4178.60112.7M102 T103 A105 M139 I142 T144M102-K107 HydrophobicContact CB-CB 4.15Å; M102-K107 HydrophobicContact SD-CB 4.04Å; T103-K107 PolarHBondContact O-N 2.78Å; A105-K107 PolarHBondContact O-N 2.93Å; K107-M139 HydrophobicContact CD-CE 4.43Å; K107-M139 WeakPolarHBondContact CE-O 3.03Å; K107-M139 HydrophobicContact CG-CE 3.78Å; K107-M139 PolarHBondContact NZ-O 3.2Å; K107-I142 HydrophobicContact CD-CB 4.3Å; K107-I142 HydrophobicContact CD-CG2 3.95Å; K107-I142 WeakPolarHBondContact CE-O 3.41Å; K107-I142 HydrophobicContact CG-CG2 4.17Å; K107-I142 PolarHBondContact NZ-O 2.9Å; K107-T144 HydrophobicContact CB-CG2 4.18Å; K107-T144 HydrophobicContact CD-CG2 3.6Å; K107-T144 HydrophobicContact CG-CG2 4.49Å
108A95.3Very high94.2Very high20 Ų2021.5 Ų21.517%0.16510%0.102CC..Hα-helixtrans-68.2-39.1-179.700000112.7H104 A105 T106 W112 V288 Y292H104-A108 PolarHBondContact O-N 3.32Å; A105-A108 PolarHBondContact O-N 2.9Å; T106-A108 PolarHBondContact O-N 3.25Å; A108-W112 VanDerWaalsContact O-CD1 3.27Å; A108-V288 HydrophobicContact CB-CG1 3.93Å; A108-Y292 HydrophobicContact CB-CD2 4.48Å; A108-Y292 HydrophobicContact CB-CE2 3.45Å; A108-Y292 VanDerWaalsContact CB-CE2 3.45Å
109I93.8Very high93.3Very high0 Ų026.5 Ų26.50%012%0.117CC..Hα-helixtrans-74.7-41.8179.5-65.1171.4000110.6F79 A105 T106 R111 W112 L113 L167 L250 V288 Y289F79-I109 HydrophobicContact CB-CB 4.25Å; F79-I109 HydrophobicContact CB-CG2 3.97Å; F79-I109 HydrophobicContact CD1-CB 3.86Å; F79-I109 HydrophobicContact CD1-CD1 3.68Å; F79-I109 HydrophobicContact CD1-CG1 4.37Å; F79-I109 HydrophobicContact CD1-CG2 3.62Å; F79-I109 HydrophobicContact CD2-CG2 3.65Å; F79-I109 HydrophobicContact CE1-CB 4.34Å; F79-I109 HydrophobicContact CE1-CD1 3.42Å; F79-I109 VanDerWaalsContact CE1-CD1 3.42Å; F79-I109 HydrophobicContact CE1-CG1 4.46Å; F79-I109 HydrophobicContact CE1-CG2 3.9Å; F79-I109 HydrophobicContact CE2-CG2 3.94Å; F79-I109 HydrophobicContact CG-CB 4.03Å; F79-I109 HydrophobicContact CG-CG2 3.46Å; F79-I109 VanDerWaalsContact CG-CG2 3.46Å; F79-I109 HydrophobicContact CZ-CD1 4.17Å; F79-I109 HydrophobicContact CZ-CG2 4.03Å; A105-I109 WeakPolarHBondContact O-CB 3.24Å; A105-I109 VanDerWaalsContact O-CG1 3.28Å; A105-I109 WeakPolarHBondContact O-CG1 3.32Å; A105-I109 PolarHBondContact O-N 3.24Å; T106-I109 PolarHBondContact O-N 3.4Å; I109-R111 VanDerWaalsContact C-N 3.29Å; I109-R111 PolarHBondContact O-N 3.2Å; I109-W112 PolarHBondContact O-N 3.11Å; I109-L113 WeakPolarHBondContact O-CB 3.23Å; I109-L113 PolarHBondContact O-N 3.42Å; I109-L167 HydrophobicContact CD1-CB 4.17Å; I109-L167 HydrophobicContact CD1-CD2 4.18Å; I109-L167 HydrophobicContact CD1-CG 4.35Å; I109-L250 HydrophobicContact CG2-CB 3.93Å; I109-L250 HydrophobicContact CG2-CD1 3.68Å; I109-L250 HydrophobicContact CG2-CD2 4Å; I109-L250 HydrophobicContact CG2-CG 4.06Å; I109-V288 HydrophobicContact CD1-CG1 4.43Å; I109-V288 HydrophobicContact CG1-CG1 3.56Å; I109-Y289 HydrophobicContact CD1-CE2 4.01Å
110Y95.4Very high92.3Very high0 Ų023 Ų230%011%0.107CC..Hα-helixtrans-46.5-49176.3162.8-94.6000112.6C84 L87 P88 M102 T106 W112 L113 L114 L135 S138 M139 I142C84-Y110 HydrophobicContact CB-CD2 4.11Å; C84-Y110 HydrophobicContact CB-CE2 4.33Å; L87-Y110 HydrophobicContact CB-CE2 4.09Å; L87-Y110 HydrophobicContact CD2-CE2 3.75Å; L87-Y110 HydrophobicContact CG-CE2 4.38Å; P88-Y110 WeakPolarHBondContact CD-OH 3.37Å; P88-Y110 VanDerWaalsContact CG-OH 3.28Å; P88-Y110 WeakPolarHBondContact CG-OH 3.49Å; M102-Y110 HydrophobicContact CE-CD2 3.66Å; M102-Y110 HydrophobicContact CE-CE2 3.98Å; M102-Y110 HydrophobicContact CE-CG 3.93Å; M102-Y110 HydrophobicContact SD-CG 4.31Å; T106-Y110 WeakPolarHBondContact O-CB 3.37Å; T106-Y110 PolarHBondContact O-N 3.21Å; Y110-W112 VanDerWaalsContact C-N 3.26Å; Y110-W112 PolarHBondContact O-N 2.81Å; Y110-L113 PolarHBondContact O-N 3.36Å; Y110-L114 HydrophobicContact CD2-CD1 3.65Å; Y110-L114 HydrophobicContact CD2-CG 3.98Å; Y110-L114 HydrophobicContact CE2-CD1 3.12Å; Y110-L114 HydrophobicContact CE2-CG 3.97Å; Y110-L114 WeakPolarHBondContact O-CB 3.26Å; Y110-L114 PolarHBondContact O-N 2.97Å; Y110-L135 HydrophobicContact CD1-CD1 4.23Å; Y110-L135 HydrophobicContact CE1-CD1 3.49Å; Y110-L135 VanDerWaalsContact CE1-CD1 3.49Å; Y110-L135 HydrophobicContact CE2-CD1 4.49Å; Y110-S138 PolarHBondContact OH-OG 3.18Å; Y110-M139 HydrophobicContact CD1-SD 3.54Å; Y110-M139 VanDerWaalsContact CD1-SD 3.54Å; Y110-M139 HydrophobicContact CE1-SD 3.61Å; Y110-I142 HydrophobicContact CD1-CD1 4.23Å; Y110-I142 HydrophobicContact CE1-CD1 3.64Å
111R94.3Very high91Very high34 Ų3424 Ų2413%0.12811%0.114CC..Hα-helixtrans-55.7-39.7179.7174.359.3-173.182.8-8112.9I109 S115 E132 E136 M139I109-R111 VanDerWaalsContact C-N 3.29Å; I109-R111 PolarHBondContact O-N 3.2Å; R111-S115 WeakPolarHBondContact O-CB 3.3Å; R111-E132 IonicContact CZ-OE1 3.46Å; R111-E132 IonicContact NH1-OE1 3.78Å; R111-E132 PolarHBondContact NH1-OE1 3.1Å; R111-E132 IonicContact NH2-OE1 3.48Å; R111-E132 PolarHBondContact NH2-OE1 3.08Å; R111-E136 IonicContact CZ-OE1 2.72Å; R111-E136 IonicContact NH2-OE1 2.73Å; R111-E136 PolarHBondContact NH2-OE1 3.37Å; R111-M139 HydrophobicContact CB-CE 3.77Å; R111-M139 HydrophobicContact CB-SD 3.9Å; R111-M139 HydrophobicContact CG-CE 4.38Å
112W90.4Very high89.4Confident63 Ų6329.5 Ų29.524%0.23914%0.143CC..Hα-helixtrans-87.3-39.7-176.6-62.5113.1000111.6A108 I109 Y110 S115 D116 L250 L281 K284A108-W112 VanDerWaalsContact O-CD1 3.27Å; I109-W112 PolarHBondContact O-N 3.11Å; Y110-W112 VanDerWaalsContact C-N 3.26Å; Y110-W112 PolarHBondContact O-N 2.81Å; W112-S115 WeakPolarHBondContact O-CB 3.33Å; W112-S115 PolarHBondContact O-N 2.81Å; W112-D116 PolarHBondContact O-N 2.67Å; W112-L250 HydrophobicContact CB-CD1 4.31Å; W112-L281 HydrophobicContact CE3-CD2 3.93Å; W112-L281 WeakPolarHBondContact O-CD1 3.24Å; W112-K284 HydrophobicContact CD2-CB 4.4Å; W112-K284 HydrophobicContact CD2-CD 4.07Å; W112-K284 HydrophobicContact CE3-CD 3.69Å; W112-K284 HydrophobicContact CH2-CD 3.66Å; W112-K284 VanDerWaalsContact CH2-NZ 3.28Å; W112-K284 HydrophobicContact CZ2-CD 3.98Å; W112-K284 HydrophobicContact CZ3-CD 3.51Å
113L89.7Confident87.8Confident11 Ų1132.3 Ų32.36%0.05816%0.158CC..Hα-helixtrans-62.3-47.6179.3-167.6155.6000111.1F79 L81 I109 Y110 S115 D116 Y117 L250F79-L113 HydrophobicContact CD2-CD1 3.53Å; F79-L113 HydrophobicContact CE2-CD1 4.03Å; F79-L113 WeakPolarHBondContact O-CD1 3.49Å; L81-L113 HydrophobicContact CD1-CD2 4.48Å; L81-L113 HydrophobicContact CD2-CD2 3.38Å; L81-L113 HydrophobicContact CG-CD2 3.69Å; I109-L113 WeakPolarHBondContact O-CB 3.23Å; I109-L113 PolarHBondContact O-N 3.42Å; Y110-L113 PolarHBondContact O-N 3.36Å; L113-S115 VanDerWaalsContact C-N 3.26Å; L113-S115 PolarHBondContact O-N 2.92Å; L113-D116 WeakPolarHBondContact O-CB 3.47Å; L113-D116 PolarHBondContact O-N 3Å; L113-D116 VanDerWaalsContact O-N 3.1Å; L113-Y117 PolarHBondContact O-N 3.44Å; L113-L250 HydrophobicContact CB-CD1 4.07Å; L113-L250 HydrophobicContact CD1-CB 4.22Å
114L91.5Very high86.1Confident0 Ų034.9 Ų34.90%018%0.176CC..Hα-helixtrans-68.5-27.3178.3-65.2-161.2000112.7L81 P88 Y110 D116 Y117 V118 L135L81-L114 HydrophobicContact CD2-CD2 3.29Å; P88-L114 HydrophobicContact CG-CD1 3.48Å; P88-L114 VanDerWaalsContact CG-CD1 3.48Å; Y110-L114 HydrophobicContact CD2-CD1 3.65Å; Y110-L114 HydrophobicContact CD2-CG 3.98Å; Y110-L114 HydrophobicContact CE2-CD1 3.12Å; Y110-L114 HydrophobicContact CE2-CG 3.97Å; Y110-L114 WeakPolarHBondContact O-CB 3.26Å; Y110-L114 PolarHBondContact O-N 2.97Å; L114-D116 VanDerWaalsContact C-N 3.34Å; L114-Y117 PolarHBondContact O-N 3.42Å; L114-V118 WeakPolarHBondContact O-CG2 3.32Å; L114-V118 PolarHBondContact O-N 3.24Å; L114-L135 HydrophobicContact CB-CD1 3.8Å; L114-L135 HydrophobicContact CB-CD2 3.67Å; L114-L135 HydrophobicContact CB-CG 4.38Å; L114-L135 HydrophobicContact CD1-CD1 3.87Å; L114-L135 HydrophobicContact CG-CD1 4.34Å
115S89.3Confident84.6Confident2 Ų236.2 Ų36.21%0.01420%0.197CC..Hα-helixtrans-65.8-37.4170.6-172.60000112.2R111 W112 L113 K119 E132R111-S115 WeakPolarHBondContact O-CB 3.3Å; W112-S115 WeakPolarHBondContact O-CB 3.33Å; W112-S115 PolarHBondContact O-N 2.81Å; L113-S115 VanDerWaalsContact C-N 3.26Å; L113-S115 PolarHBondContact O-N 2.92Å; S115-K119 VanDerWaalsContact O-CG 3.31Å; S115-K119 WeakPolarHBondContact O-CG 3.23Å; S115-K119 PolarHBondContact O-N 3.03Å; S115-E132 VanDerWaalsContact CA-OE2 3.24Å; S115-E132 WeakPolarHBondContact CA-OE2 3.39Å; S115-E132 WeakPolarHBondContact CB-OE1 3.37Å; S115-E132 WeakPolarHBondContact CB-OE2 3.42Å; S115-E132 PolarHBondContact OG-OE1 2.88Å; S115-E132 PolarHBondContact OG-OE2 2.77Å
116D84.8Confident83.2Confident14 Ų1443.5 Ų43.58%0.07524%0.236CC..Hα-helixtrans-63.8-46.2171.7-148.838.3000110.2W112 L113 L114 V118 K119 V120 L281 S335W112-D116 PolarHBondContact O-N 2.67Å; L113-D116 WeakPolarHBondContact O-CB 3.47Å; L113-D116 PolarHBondContact O-N 3Å; L113-D116 VanDerWaalsContact O-N 3.1Å; L114-D116 VanDerWaalsContact C-N 3.34Å; D116-V118 PolarHBondContact O-N 2.92Å; D116-K119 PolarHBondContact O-N 2.99Å; D116-K119 VanDerWaalsContact O-N 3.1Å; D116-V120 WeakPolarHBondContact O-CB 3.44Å; D116-V120 VanDerWaalsContact O-CG2 3.25Å; D116-V120 WeakPolarHBondContact O-CG2 3.34Å; D116-V120 PolarHBondContact O-N 2.76Å; D116-L281 HydrophobicContact CB-CD1 3.41Å; D116-L281 VanDerWaalsContact CB-CD1 3.41Å; D116-S335 PolarHBondContact OD2-OG 2.82Å
117Y86.3Confident82.3Confident55 Ų5548.2 Ų48.222%0.21626%0.261CS..Hα-helixtrans-58.2-47.9-179.3169.9-104.6000112.2I50 L81 L113 L114 K119 V120 S121 Y130I50-Y117 HydrophobicContact CD1-CD2 4.22Å; I50-Y117 HydrophobicContact CD1-CE1 3.86Å; I50-Y117 HydrophobicContact CD1-CE2 3.48Å; I50-Y117 VanDerWaalsContact CD1-CE2 3.48Å; I50-Y117 VanDerWaalsContact CD1-OH 3.31Å; I50-Y117 WeakPolarHBondContact CD1-OH 3.44Å; L81-Y117 HydrophobicContact CD1-CD2 3.82Å; L81-Y117 HydrophobicContact CD1-CG 4.36Å; L81-Y117 HydrophobicContact CD2-CD2 4.17Å; L81-Y117 HydrophobicContact CD2-CG 3.93Å; L113-Y117 PolarHBondContact O-N 3.44Å; L114-Y117 PolarHBondContact O-N 3.42Å; Y117-K119 PolarHBondContact O-N 2.91Å; Y117-V120 PolarHBondContact O-N 2.94Å; Y117-S121 VanDerWaalsContact O-CB 3.31Å; Y117-S121 WeakPolarHBondContact O-CB 3.43Å; Y117-S121 PolarHBondContact O-N 3.18Å; Y117-Y130 WeakPolarHBondContact CD1-OH 3.4Å; Y117-Y130 HydrophobicContact CE1-CE1 4.48Å
118V86.4Confident81.7Confident19 Ų1948.6 Ų48.612%0.11526%0.264CS..Hα-helixtrans-62.1-33.8177.6174.70000111.4L114 D116 M128 Y130L114-V118 WeakPolarHBondContact O-CG2 3.32Å; L114-V118 PolarHBondContact O-N 3.24Å; D116-V118 PolarHBondContact O-N 2.92Å; V118-M128 HydrophobicContact CG1-CE 4.01Å; V118-M128 WeakPolarHBondContact O-CE 3.5Å; V118-Y130 HydrophobicContact CG2-CD2 3.93Å; V118-Y130 HydrophobicContact CG2-CE2 3.49Å; V118-Y130 VanDerWaalsContact CG2-CE2 3.49Å
119K80.6Confident81.5Confident126 Ų12648.4 Ų48.455%0.54826%0.26SS..Hα-helixtrans-76.4-36.6176.8-72.8173.6-175.4171.80114.1S115 D116 Y117S115-K119 VanDerWaalsContact O-CG 3.31Å; S115-K119 WeakPolarHBondContact O-CG 3.23Å; S115-K119 PolarHBondContact O-N 3.03Å; D116-K119 PolarHBondContact O-N 2.99Å; D116-K119 VanDerWaalsContact O-N 3.1Å; Y117-K119 PolarHBondContact O-N 2.91Å
120V75.9Confident81.5Confident27 Ų2748.7 Ų48.716%0.16426%0.261CS..Hα-helixtrans-80-24.8-177.3170.20000111.3D116 Y117 N122 P336 S341D116-V120 WeakPolarHBondContact O-CB 3.44Å; D116-V120 VanDerWaalsContact O-CG2 3.25Å; D116-V120 WeakPolarHBondContact O-CG2 3.34Å; D116-V120 PolarHBondContact O-N 2.76Å; Y117-V120 PolarHBondContact O-N 2.94Å; V120-N122 PolarHBondContact O-N 2.88Å; V120-P336 HydrophobicContact CG1-CB 4.47Å; V120-P336 HydrophobicContact CG1-CG 3.99Å; V120-S341 WeakPolarHBondContact CG1-OG 3.39Å; V120-S341 PolarHBondContact O-OG 3.08Å
121S73Confident81.4Confident21 Ų2151.7 Ų51.715%0.14728%0.28CS..  trans-63.3106.7174.6-171.10000110.3Y117 I123Y117-S121 VanDerWaalsContact O-CB 3.31Å; Y117-S121 WeakPolarHBondContact O-CB 3.43Å; Y117-S121 PolarHBondContact O-N 3.18Å; S121-I123 PolarHBondContact O-N 3.28Å; S121-I123 WeakPolarHBondContact OG-CD1 3.29Å; S121-I123 WeakPolarHBondContact OG-CG1 3.46Å
122N63.8Low81.3Confident116 Ų11652.3 Ų52.362%0.6228%0.284SS*.  trans-81.321.9175.9-89.93.4000112.7V120 M384V120-N122 PolarHBondContact O-N 2.88Å; N122-M384 HydrophobicContact CB-CE 4.48Å; N122-M384 VanDerWaalsContact ND2-CE 3.27Å; N122-M384 WeakPolarHBondContact ND2-CE 3.46Å
123I66.8Low81.5Confident59 Ų5953.1 Ų53.130%0.30330%0.296SS..  trans-78145.8-178.6-62.4178.5000109S121 D127S121-I123 PolarHBondContact O-N 3.28Å; S121-I123 WeakPolarHBondContact OG-CD1 3.29Å; S121-I123 WeakPolarHBondContact OG-CG1 3.46Å; I123-D127 HydrophobicContact CG2-CB 3.27Å
124S62.3Low81.8Confident56 Ų5653.8 Ų53.839%0.39230%0.3SS..  trans-56.5150.1175.187.30000110.4D126 D127 M128S124-D126 PolarHBondContact O-N 3.24Å; S124-D127 PolarHBondContact O-N 2.8Å; S124-D127 PolarHBondContact OG-N 3.43Å; S124-D127 PolarHBondContact OG-OD2 3.34Å; S124-M128 PolarHBondContact O-N 3.14Å
125A65.1Low82.1Confident89 Ų8953.8 Ų53.874%0.73630%0.3SS*.THydrogen-bonded Turntrans-57.8-26.1-179.200000113
126D67.1Low82.4Confident156 Ų15658.4 Ų58.483%0.83432%0.321SS*.THydrogen-bonded Turntrans-77.5-24.7-179.9-66.4-29.6000112.9S124S124-D126 PolarHBondContact O-N 3.24Å
127D78.3Confident82.9Confident99 Ų9962.7 Ų62.753%0.52934%0.341SS..THydrogen-bonded Turntrans-100.4-0.3-177.7-63.4-49.1000112.8I123 S124I123-D127 HydrophobicContact CG2-CB 3.27Å; S124-D127 PolarHBondContact O-N 2.8Å; S124-D127 PolarHBondContact OG-N 3.43Å; S124-D127 PolarHBondContact OG-OD2 3.34Å
128M86.3Confident83.5Confident53 Ų5360 Ų6026%0.26133%0.33SS..  trans-72.1127.6175.8-81.4-172.1142.600111.8V118 S124 Y130V118-M128 HydrophobicContact CG1-CE 4.01Å; V118-M128 WeakPolarHBondContact O-CE 3.5Å; S124-M128 PolarHBondContact O-N 3.14Å; M128-Y130 VanDerWaalsContact C-N 3.31Å; M128-Y130 PolarHBondContact O-N 3.49Å
129L90.9Very high84Confident17 Ų1760.7 Ų60.79%0.08933%0.333CS..SBendtrans-58.1-43.3176.4-65.6172.6000112I50 M57 L60 K93I50-L129 HydrophobicContact CG2-CD1 3.94Å; M57-L129 HydrophobicContact SD-CD2 3.72Å; L60-L129 HydrophobicContact CD1-CD2 3.95Å; L60-L129 HydrophobicContact CD2-CD1 3.94Å; L60-L129 HydrophobicContact CD2-CD2 4.14Å; L60-L129 HydrophobicContact CG-CD1 4.44Å; L60-L129 HydrophobicContact CG-CD2 4Å; K93-L129 PolarHBondContact NZ-O 3.23Å
130Y94.1Very high84.8Confident5 Ų561.9 Ų61.92%0.0235%0.345CS..  trans-157.5165.3-177.457.8-93.6000111.6G85 P88 W89 Y117 V118 M128G85-Y130 WeakPolarHBondContact O-CE1 3.32Å; G85-Y130 PolarHBondContact O-OH 3.44Å; P88-Y130 HydrophobicContact CB-CD1 4.04Å; P88-Y130 HydrophobicContact CB-CD2 3.67Å; P88-Y130 HydrophobicContact CB-CE1 4.27Å; P88-Y130 HydrophobicContact CB-CE2 3.93Å; P88-Y130 HydrophobicContact CB-CG 3.72Å; P88-Y130 HydrophobicContact CG-CD1 4.36Å; P88-Y130 HydrophobicContact CG-CD2 3.91Å; P88-Y130 HydrophobicContact CG-CE1 4.08Å; P88-Y130 HydrophobicContact CG-CE2 3.62Å; P88-Y130 HydrophobicContact CG-CG 4.27Å; W89-Y130 HydrophobicContact CB-CD1 3.95Å; Y117-Y130 WeakPolarHBondContact CD1-OH 3.4Å; Y117-Y130 HydrophobicContact CE1-CE1 4.48Å; V118-Y130 HydrophobicContact CG2-CD2 3.93Å; V118-Y130 HydrophobicContact CG2-CE2 3.49Å; V118-Y130 VanDerWaalsContact CG2-CE2 3.49Å; M128-Y130 VanDerWaalsContact C-N 3.31Å; M128-Y130 PolarHBondContact O-N 3.49Å
131T92.8Very high85.9Confident63 Ų6365.2 Ų65.239%0.38736%0.357SS..  trans-104.116918065.10000111.8T133 D134 L135T131-T133 PolarHBondContact O-N 3.44Å; T131-T133 PolarHBondContact OG1-N 3.1Å; T131-D134 PolarHBondContact N-OD2 3.22Å; T131-D134 PolarHBondContact O-N 3.43Å; T131-D134 VanDerWaalsContact OG1-CG 3.31Å; T131-D134 PolarHBondContact OG1-N 2.98Å; T131-D134 PolarHBondContact OG1-OD2 2.93Å; T131-L135 PolarHBondContact O-N 3.32Å; T131-L135 VanDerWaalsContact O-N 3.14Å
132E91.6Very high87.1Confident47 Ų4764.4 Ų64.422%0.2235%0.351CS..Hα-helixtrans-58.7-33.7171.3-176.277.5-16900111.9R111 S115 L135 E136R111-E132 IonicContact CZ-OE1 3.46Å; R111-E132 IonicContact NH1-OE1 3.78Å; R111-E132 PolarHBondContact NH1-OE1 3.1Å; R111-E132 IonicContact NH2-OE1 3.48Å; R111-E132 PolarHBondContact NH2-OE1 3.08Å; S115-E132 VanDerWaalsContact CA-OE2 3.24Å; S115-E132 WeakPolarHBondContact CA-OE2 3.39Å; S115-E132 WeakPolarHBondContact CB-OE1 3.37Å; S115-E132 WeakPolarHBondContact CB-OE2 3.42Å; S115-E132 PolarHBondContact OG-OE1 2.88Å; S115-E132 PolarHBondContact OG-OE2 2.77Å; E132-L135 WeakPolarHBondContact O-CB 3.3Å; E132-L135 PolarHBondContact O-N 3.42Å; E132-E136 WeakPolarHBondContact O-CG 3.36Å; E132-E136 PolarHBondContact O-N 3.14Å
133T94.4Very high88.8Confident80 Ų8062.1 Ų62.149%0.49134%0.337SS..Hα-helixtrans-65.4-45.5176.4-50.70000111.2T131 L135 E136 E137T131-T133 PolarHBondContact O-N 3.44Å; T131-T133 PolarHBondContact OG1-N 3.1Å; T133-L135 PolarHBondContact O-N 3.24Å; T133-E136 PolarHBondContact O-N 3.14Å; T133-E136 VanDerWaalsContact O-N 3.14Å; T133-E137 WeakPolarHBondContact O-CG 3.33Å; T133-E137 PolarHBondContact O-N 2.91Å
134D96.8Very high90.3Very high25 Ų2561.7 Ų61.713%0.13434%0.337CS..Hα-helixtrans-58.6-39175.8-62-54.5000111Q92 K93 T131 S138Q92-D134 HydrophobicContact CG-CB 4.37Å; Q92-D134 WeakPolarHBondContact CG-O 3.22Å; K93-D134 WeakPolarHBondContact CE-OD2 3.47Å; K93-D134 IonicContact NZ-OD2 3.51Å; T131-D134 PolarHBondContact N-OD2 3.22Å; T131-D134 PolarHBondContact O-N 3.43Å; T131-D134 VanDerWaalsContact OG1-CG 3.31Å; T131-D134 PolarHBondContact OG1-N 2.98Å; T131-D134 PolarHBondContact OG1-OD2 2.93Å; D134-S138 WeakPolarHBondContact O-CB 3.39Å; D134-S138 PolarHBondContact O-N 3.29Å
135L96.7Very high92Very high0 Ų059 Ų590%032%0.318CS..Hα-helixtrans-62.7-47.4175171.564.3000111.7P88 Y110 L114 T131 E132 T133 S138 M139P88-L135 HydrophobicContact CG-CB 4.49Å; P88-L135 HydrophobicContact CG-CD1 3.92Å; Y110-L135 HydrophobicContact CD1-CD1 4.23Å; Y110-L135 HydrophobicContact CE1-CD1 3.49Å; Y110-L135 VanDerWaalsContact CE1-CD1 3.49Å; Y110-L135 HydrophobicContact CE2-CD1 4.49Å; L114-L135 HydrophobicContact CB-CD1 3.8Å; L114-L135 HydrophobicContact CB-CD2 3.67Å; L114-L135 HydrophobicContact CB-CG 4.38Å; L114-L135 HydrophobicContact CD1-CD1 3.87Å; L114-L135 HydrophobicContact CG-CD1 4.34Å; T131-L135 PolarHBondContact O-N 3.32Å; T131-L135 VanDerWaalsContact O-N 3.14Å; E132-L135 WeakPolarHBondContact O-CB 3.3Å; E132-L135 PolarHBondContact O-N 3.42Å; T133-L135 PolarHBondContact O-N 3.24Å; L135-S138 WeakPolarHBondContact O-CB 3.32Å; L135-S138 PolarHBondContact O-N 2.88Å; L135-S138 PolarHBondContact O-OG 3.45Å; L135-M139 PolarHBondContact O-N 2.93Å
136E95.6Very high93.6Very high100 Ų10058.7 Ų58.747%0.46730%0.304SS..Hα-helixtrans-60.3-47.1177.7-73.4-175.1165.400111.9R111 E132 T133 S138 M139R111-E136 IonicContact CZ-OE1 2.72Å; R111-E136 IonicContact NH2-OE1 2.73Å; R111-E136 PolarHBondContact NH2-OE1 3.37Å; E132-E136 WeakPolarHBondContact O-CG 3.36Å; E132-E136 PolarHBondContact O-N 3.14Å; T133-E136 PolarHBondContact O-N 3.14Å; T133-E136 VanDerWaalsContact O-N 3.14Å; E136-S138 PolarHBondContact O-N 3.45Å; E136-M139 VanDerWaalsContact O-CB 3.31Å; E136-M139 WeakPolarHBondContact O-CB 3.5Å; E136-M139 PolarHBondContact O-N 3.35Å; E136-M139 VanDerWaalsContact O-N 3.14Å
137E96.7Very high95.1Very high103 Ų10353.4 Ų53.448%0.48127%0.274SS..Hα-helixtrans-64.8-28.8177.7-68178.7179.400112.4Q92 T133 M139Q92-E137 PolarHBondContact NE2-O 3.36Å; Q92-E137 VanDerWaalsContact NE2-O 3.09Å; T133-E137 WeakPolarHBondContact O-CG 3.33Å; T133-E137 PolarHBondContact O-N 2.91Å; E137-M139 PolarHBondContact O-N 3.4Å
138S97.9Very high96Very high0 Ų053.3 Ų53.30%027%0.27CS..Hα-helixtrans-65.9-26.9176.181.90000113Y110 D134 L135 E136 D140 K141 I142Y110-S138 PolarHBondContact OH-OG 3.18Å; D134-S138 WeakPolarHBondContact O-CB 3.39Å; D134-S138 PolarHBondContact O-N 3.29Å; L135-S138 WeakPolarHBondContact O-CB 3.32Å; L135-S138 PolarHBondContact O-N 2.88Å; L135-S138 PolarHBondContact O-OG 3.45Å; E136-S138 PolarHBondContact O-N 3.45Å; S138-D140 VanDerWaalsContact C-N 3.28Å; S138-D140 PolarHBondContact O-N 3.47Å; S138-K141 PolarHBondContact O-N 3.28Å; S138-K141 VanDerWaalsContact O-N 3.11Å; S138-I142 WeakPolarHBondContact O-CG1 3.15Å
139M98.2Very high96.5Very high33 Ų3353.7 Ų53.716%0.16327%0.271CS..G310 helixtrans-62.7-33.5-175.4-67.5-66.1-70.100113K107 Y110 R111 L135 E136 E137 K141 I142K107-M139 HydrophobicContact CD-CE 4.43Å; K107-M139 WeakPolarHBondContact CE-O 3.03Å; K107-M139 HydrophobicContact CG-CE 3.78Å; K107-M139 PolarHBondContact NZ-O 3.2Å; Y110-M139 HydrophobicContact CD1-SD 3.54Å; Y110-M139 VanDerWaalsContact CD1-SD 3.54Å; Y110-M139 HydrophobicContact CE1-SD 3.61Å; R111-M139 HydrophobicContact CB-CE 3.77Å; R111-M139 HydrophobicContact CB-SD 3.9Å; R111-M139 HydrophobicContact CG-CE 4.38Å; L135-M139 PolarHBondContact O-N 2.93Å; E136-M139 VanDerWaalsContact O-CB 3.31Å; E136-M139 WeakPolarHBondContact O-CB 3.5Å; E136-M139 PolarHBondContact O-N 3.35Å; E136-M139 VanDerWaalsContact O-N 3.14Å; E137-M139 PolarHBondContact O-N 3.4Å; M139-K141 VanDerWaalsContact C-N 3.29Å; M139-K141 PolarHBondContact O-N 3.22Å; M139-I142 PolarHBondContact O-N 2.95Å
140D97.3Very high96.9Very high151 Ų15157.1 Ų57.181%0.80729%0.292SS*.G310 helixtrans-74-22.4-179.6-70.6-17.9000112.5S138S138-D140 VanDerWaalsContact C-N 3.28Å; S138-D140 PolarHBondContact O-N 3.47Å
141K98.3Very high97.1Very high96 Ų9660 Ų6042%0.41731%0.305SS..G310 helixtrans-84.4-10.1176.9-66.6178.4174.6171.20113.6L91 S138 M139L91-K141 HydrophobicContact CB-CD 4.26Å; L91-K141 HydrophobicContact CD1-CB 4.32Å; L91-K141 PolarHBondContact O-NZ 3.49Å; S138-K141 PolarHBondContact O-N 3.28Å; S138-K141 VanDerWaalsContact O-N 3.11Å; M139-K141 VanDerWaalsContact C-N 3.29Å; M139-K141 PolarHBondContact O-N 3.22Å
142I98.8Very high97.3Very high4 Ų461.7 Ų61.72%0.02131%0.309CS..EExtended strand (participates in β ladder)trans-98.3117.4-177-60.9164.9000109.6L87 L91 T100 M102 K107 Y110 S138 M139L87-I142 HydrophobicContact CD2-CD1 3.84Å; L87-I142 HydrophobicContact CD2-CG1 4.39Å; L91-I142 HydrophobicContact CD1-CD1 4.19Å; L91-I142 HydrophobicContact CD1-CG1 3.82Å; T100-I142 HydrophobicContact CG2-CG1 4.15Å; T100-I142 HydrophobicContact CG2-CG2 4.47Å; M102-I142 HydrophobicContact CB-CG2 4.06Å; M102-I142 HydrophobicContact CE-CD1 4.32Å; M102-I142 HydrophobicContact CG-CG2 3.93Å; M102-I142 HydrophobicContact SD-CD1 4.33Å; M102-I142 HydrophobicContact SD-CG2 3.75Å; K107-I142 HydrophobicContact CD-CB 4.3Å; K107-I142 HydrophobicContact CD-CG2 3.95Å; K107-I142 WeakPolarHBondContact CE-O 3.41Å; K107-I142 HydrophobicContact CG-CG2 4.17Å; K107-I142 PolarHBondContact NZ-O 2.9Å; Y110-I142 HydrophobicContact CD1-CD1 4.23Å; Y110-I142 HydrophobicContact CE1-CD1 3.64Å; S138-I142 WeakPolarHBondContact O-CG1 3.15Å; M139-I142 PolarHBondContact O-N 2.95Å
143E98.8Very high97.5Very high69 Ų6960 Ų6032%0.32230%0.301SS..EExtended strand (participates in β ladder)trans-87.2156.6172.1-64.5-178-11900111.7R99 T100 F101 M102R99-E143 IonicContact CZ-OE1 3.64Å; R99-E143 VanDerWaalsContact CZ-OE1 3.3Å; R99-E143 IonicContact CZ-OE2 3.33Å; R99-E143 IonicContact NE-OE1 2.84Å; R99-E143 PolarHBondContact NE-OE1 3.5Å; R99-E143 IonicContact NE-OE2 3.5Å; R99-E143 VanDerWaalsContact NH2-CD 3.28Å; R99-E143 IonicContact NH2-OE1 2.76Å; R99-E143 PolarHBondContact NH2-OE1 2.8Å; R99-E143 VanDerWaalsContact NH2-OE1 3.08Å; R99-E143 IonicContact NH2-OE2 3.25Å; R99-E143 PolarHBondContact NH2-OE2 2.81Å; T100-E143 WeakPolarHBondContact O-CB 3.44Å; T100-E143 PolarHBondContact O-N 2.91Å; F101-E143 WeakPolarHBondContact CA-O 3.49Å; F101-E143 HydrophobicContact CD1-CB 3.74Å; F101-E143 HydrophobicContact CE1-CB 3.55Å; F101-E143 HydrophobicContact CE1-CG 4.41Å; F101-E143 HydrophobicContact CG-CB 4.36Å; F101-E143 HydrophobicContact CZ-CB 4.03Å; F101-E143 HydrophobicContact CZ-CG 4.49Å; M102-E143 PolarHBondContact N-O 2.96Å
144T98.6Very high97.4Very high49 Ų4958 Ų5830%0.30129%0.293SS..EExtended strand (participates in β ladder)trans-108.9140.7178.453.10000111.6M102 H104 K107M102-T144 CarbonylContact O-C 3.19Å; M102-T144 VanDerWaalsContact O-CA 3.24Å; M102-T144 WeakPolarHBondContact O-CA 3.36Å; H104-T144 VanDerWaalsContact CE1-CB 3.47Å; H104-T144 WeakPolarHBondContact CE1-CB 3.44Å; H104-T144 PolarHBondContact CE1-OG1 3.45Å; K107-T144 HydrophobicContact CB-CG2 4.18Å; K107-T144 HydrophobicContact CD-CG2 3.6Å; K107-T144 HydrophobicContact CG-CG2 4.49Å
145I98.6Very high97.1Very high0 Ų057.2 Ų57.20%029%0.291CS..EExtended strand (participates in β ladder)trans-120.7141.5172.6-170.6169000110.6F101 M102 E149 K151 F158 F172F101-I145 HydrophobicContact CD1-CB 4.3Å; M102-I145 PolarHBondContact O-N 3.38Å; I145-E149 HydrophobicContact CG1-CB 4.4Å; I145-K151 HydrophobicContact CD1-CB 4.08Å; I145-K151 HydrophobicContact CD1-CG 3.59Å; I145-K151 HydrophobicContact CG1-CG 3.96Å; I145-F158 HydrophobicContact CD1-CD2 3.79Å; I145-F158 HydrophobicContact CD1-CE2 3.61Å; I145-F172 HydrophobicContact CG2-CE1 4.13Å; I145-F172 HydrophobicContact CG2-CZ 4.41Å
146N97.9Very high97.1Very high83 Ų8357.2 Ų57.244%0.44429%0.291SS..  trans-83.4152.2170.6-66.5-72.3000110.9H104 H148 E149H104-N146 PolarHBondContact CD2-OD1 3.1Å; H104-N146 PolarHBondContact NE2-OD1 3.06Å; H104-N146 VanDerWaalsContact NE2-OD1 3.12Å; N146-H148 PolarHBondContact O-N 3.09Å; N146-E149 HydrophobicContact CB-CB 4.12Å; N146-E149 PolarHBondContact N-OE2 2.67Å; N146-E149 PolarHBondContact ND2-OE2 3.29Å; N146-E149 VanDerWaalsContact ND2-OE2 3.08Å; N146-E149 WeakPolarHBondContact O-CB 3.35Å; N146-E149 PolarHBondContact O-N 3.39Å
147F97.8Very high97.2Very high44 Ų4456.4 Ų56.419%0.19329%0.286CS..THydrogen-bonded Turntrans-55.8138.7169.8-66-77.1000110.5T103 E149 H162 A170T103-F147 HydrophobicContact CG2-CE1 4.01Å; T103-F147 HydrophobicContact CG2-CE2 4.33Å; T103-F147 HydrophobicContact CG2-CZ 3.8Å; F147-E149 PolarHBondContact O-N 3.14Å; F147-H162 AromaticContact CD1-CE1 3.87Å; F147-H162 AromaticContact CD1-CG 3.95Å; F147-H162 AromaticContact CD1-ND1 3.71Å; F147-H162 AromaticContact CD2-CE1 3.22Å; F147-H162 WeakPolarHBondContact CD2-CE1 3.23Å; F147-H162 AromaticContact CD2-ND1 3.77Å; F147-H162 AromaticContact CD2-NE2 3.81Å; F147-H162 HydrophobicContact CE1-CB 4.5Å; F147-H162 AromaticContact CE1-CE1 3.98Å; F147-H162 AromaticContact CE1-CG 4Å; F147-H162 AromaticContact CE1-ND1 3.51Å; F147-H162 AromaticContact CE2-CE1 3.36Å; F147-H162 WeakPolarHBondContact CE2-CE1 3.26Å; F147-H162 AromaticContact CE2-ND1 3.56Å; F147-H162 AromaticContact CG-CE1 3.49Å; F147-H162 VanDerWaalsContact CG-CE1 3.49Å; F147-H162 WeakPolarHBondContact CG-CE1 3.46Å; F147-H162 AromaticContact CG-ND1 3.83Å; F147-H162 AromaticContact CG-NE2 3.71Å; F147-H162 AromaticContact CZ-CE1 3.74Å; F147-H162 AromaticContact CZ-ND1 3.42Å; F147-H162 WeakPolarHBondContact CZ-ND1 3.19Å; F147-A170 HydrophobicContact CE1-CB 4.18Å
148H97.8Very high97.3Very high97 Ų9751.5 Ų51.545%0.44926%0.263SS..THydrogen-bonded Turntrans62.25.5-179.7-41.9129.9000116.3N146 C160 Y161 E199N146-H148 PolarHBondContact O-N 3.09Å; H148-C160 PolarHBondContact N-O 3.05Å; H148-Y161 AromaticContact CD2-CD1 3.71Å; H148-Y161 AromaticContact NE2-CD1 3.85Å; H148-E199 IonicContact CD2-OE2 3.79Å; H148-E199 IonicContact CE1-OE1 3.16Å; H148-E199 PolarHBondContact CE1-OE1 3.12Å; H148-E199 VanDerWaalsContact CE1-OE1 3.25Å; H148-E199 IonicContact CE1-OE2 3.84Å; H148-E199 VanDerWaalsContact NE2-CD 3.35Å; H148-E199 IonicContact NE2-OE1 3.98Å; H148-E199 PolarHBondContact NE2-OE1 2.96Å; H148-E199 IonicContact NE2-OE2 3.64Å; H148-E199 PolarHBondContact NE2-OE2 2.99Å
149E97.8Very high97.4Very high61 Ų6152.7 Ų52.729%0.28527%0.267SS..  trans-80.6131.3171.4-174.7-174.3170.700110.2I145 N146 F147 K151 W159I145-E149 HydrophobicContact CG1-CB 4.4Å; N146-E149 HydrophobicContact CB-CB 4.12Å; N146-E149 PolarHBondContact N-OE2 2.67Å; N146-E149 PolarHBondContact ND2-OE2 3.29Å; N146-E149 VanDerWaalsContact ND2-OE2 3.08Å; N146-E149 WeakPolarHBondContact O-CB 3.35Å; N146-E149 PolarHBondContact O-N 3.39Å; F147-E149 PolarHBondContact O-N 3.14Å; E149-K151 WeakPolarHBondContact OE1-CE 3.48Å; E149-K151 IonicContact OE1-NZ 3.93Å; E149-K151 PolarHBondContact OE1-NZ 2.99Å; E149-W159 WeakPolarHBondContact O-CA 3.35Å; E149-W159 WeakPolarHBondContact O-CB 3.47Å
150V98.4Very high97.4Very high89 Ų8951.1 Ų51.154%0.53926%0.26SS..  trans-89.1120.4173.8-177.70000109.7K157 W159V150-K157 HydrophobicContact CG1-CB 4.37Å; V150-W159 HydrophobicContact CG1-CE3 4.3Å; V150-W159 HydrophobicContact CG2-CB 4.27Å; V150-W159 HydrophobicContact CG2-CD2 4.35Å; V150-W159 HydrophobicContact CG2-CE3 4.07Å; V150-W159 HydrophobicContact CG2-CG 4.49Å
151K98.3Very high97.4Very high67 Ų6745 Ų4529%0.29123%0.225SC..EExtended strand (participates in β ladder)trans-107.2155.5169.1-69.2-66.2-162.7-161.30110.3I145 E149 K157 F158I145-K151 HydrophobicContact CD1-CB 4.08Å; I145-K151 HydrophobicContact CD1-CG 3.59Å; I145-K151 HydrophobicContact CG1-CG 3.96Å; E149-K151 WeakPolarHBondContact OE1-CE 3.48Å; E149-K151 IonicContact OE1-NZ 3.93Å; E149-K151 PolarHBondContact OE1-NZ 2.99Å; K151-K157 WeakPolarHBondContact O-CA 3.28Å; K151-F158 HydrophobicContact CB-CD1 4.37Å; K151-F158 HydrophobicContact CB-CD2 4.4Å; K151-F158 HydrophobicContact CB-CE1 3.77Å; K151-F158 HydrophobicContact CB-CE2 3.83Å; K151-F158 HydrophobicContact CB-CZ 3.47Å; K151-F158 VanDerWaalsContact CB-CZ 3.47Å; K151-F158 HydrophobicContact CG-CE2 4.39Å; K151-F158 HydrophobicContact CG-CZ 4.28Å; K151-F158 PolarHBondContact N-O 2.71Å; K151-F158 PolarHBondContact O-N 3.32Å
152E97.2Very high97.4Very high98 Ų9841.7 Ų41.746%0.45821%0.211SC..EExtended strand (participates in β ladder)trans-130129173.8-169.4177.4145.200110.8I156 K157 N496E152-I156 VanDerWaalsContact CA-O 3.27Å; E152-I156 WeakPolarHBondContact CA-O 3.29Å; E152-K157 HydrophobicContact CB-CG 4.36Å; E152-K157 HydrophobicContact CG-CG 4.12Å; E152-K157 WeakPolarHBondContact OE2-CE 3.49Å; E152-N496 PolarHBondContact OE1-ND2 3.29Å
153V95.9Very high97.4Very high10 Ų1041.5 Ų41.56%0.06121%0.21CC..EExtended strand (participates in β ladder)trans-134.6124.5177176.30000107.9L73 F101 G155 I156 F158L73-V153 HydrophobicContact CD1-CB 4.01Å; L73-V153 HydrophobicContact CD1-CG1 4.11Å; L73-V153 HydrophobicContact CD1-CG2 3.88Å; F101-V153 HydrophobicContact CE2-CG2 3.77Å; F101-V153 HydrophobicContact CZ-CG2 4.01Å; V153-G155 PolarHBondContact O-N 3.43Å; V153-I156 PolarHBondContact N-O 3.21Å; V153-I156 WeakPolarHBondContact O-CA 3.41Å; V153-I156 VanDerWaalsContact O-CB 3.23Å; V153-I156 WeakPolarHBondContact O-CB 3.42Å; V153-I156 WeakPolarHBondContact O-CG1 3.3Å; V153-I156 PolarHBondContact O-N 3.04Å; V153-F158 HydrophobicContact CB-CE1 4.2Å; V153-F158 HydrophobicContact CG2-CE1 3.67Å; V153-F158 HydrophobicContact CG2-CZ 4.09Å
154A92.1Very high97.2Very high38 Ų3838.5 Ų38.531%0.31420%0.198SC..THydrogen-bonded Turntrans51.828.6178.800000115R42 D72 I156R42-A154 PolarHBondContact NE-O 3.41Å; D72-A154 HydrophobicContact CB-CB 4.42Å; A154-I156 VanDerWaalsContact C-N 3.34Å
155G90.3Very high97.1Very high9 Ų936.1 Ų36.19%0.09318%0.184CC..THydrogen-bonded Turntrans83.34.5-176.400000115.5V153 N496 F497V153-G155 PolarHBondContact O-N 3.43Å; G155-N496 WeakPolarHBondContact CA-ND2 3.2Å; G155-N496 PolarHBondContact N-ND2 3.3Å; G155-F497 WeakPolarHBondContact O-CD2 3.48Å
156I96.8Very high96.9Very high0 Ų036.2 Ų36.20%018%0.184CC..EExtended strand (participates in β ladder)trans-92.5117.9173.6-54.2155.2000107R42 I44 D72 L73 E152 V153 A154 I174 I176R42-I156 HydrophobicContact CB-CD1 4.05Å; R42-I156 HydrophobicContact CB-CG1 4.24Å; R42-I156 HydrophobicContact CG-CD1 4.27Å; R42-I156 HydrophobicContact CG-CG1 4.17Å; I44-I156 HydrophobicContact CD1-CD1 3.91Å; I44-I156 HydrophobicContact CD1-CG1 4.23Å; I44-I156 HydrophobicContact CD1-CG2 3.63Å; I44-I156 HydrophobicContact CG1-CD1 3.79Å; D72-I156 HydrophobicContact CB-CD1 4.27Å; L73-I156 HydrophobicContact CB-CD1 4.34Å; L73-I156 HydrophobicContact CD2-CD1 4.45Å; L73-I156 HydrophobicContact CD2-CG2 4Å; E152-I156 VanDerWaalsContact CA-O 3.27Å; E152-I156 WeakPolarHBondContact CA-O 3.29Å; V153-I156 PolarHBondContact N-O 3.21Å; V153-I156 WeakPolarHBondContact O-CA 3.41Å; V153-I156 VanDerWaalsContact O-CB 3.23Å; V153-I156 WeakPolarHBondContact O-CB 3.42Å; V153-I156 WeakPolarHBondContact O-CG1 3.3Å; V153-I156 PolarHBondContact O-N 3.04Å; A154-I156 VanDerWaalsContact C-N 3.34Å; I156-I174 HydrophobicContact CG2-CG2 3.78Å; I156-I176 HydrophobicContact CB-CG1 4.47Å; I156-I176 HydrophobicContact CG1-CD1 4.39Å; I156-I176 HydrophobicContact CG1-CG1 4.24Å; I156-I176 HydrophobicContact CG2-CD1 4.45Å; I156-I176 HydrophobicContact CG2-CG1 4.03Å
157K98.3Very high96.8Very high83 Ų8332.3 Ų32.336%0.36116%0.163SC..EExtended strand (participates in β ladder)trans-90.7139.3170.8-68.2179.8-177.1178.70109.2V150 K151 E152 W159 I174 E175V150-K157 HydrophobicContact CG1-CB 4.37Å; K151-K157 WeakPolarHBondContact O-CA 3.28Å; E152-K157 HydrophobicContact CB-CG 4.36Å; E152-K157 HydrophobicContact CG-CG 4.12Å; E152-K157 WeakPolarHBondContact OE2-CE 3.49Å; K157-W159 HydrophobicContact CB-CZ3 4.49Å; K157-I174 CarbonylContact O-C 3.55Å; K157-I174 WeakPolarHBondContact O-CA 3.49Å; K157-E175 HydrophobicContact CB-CB 4.26Å; K157-E175 PolarHBondContact N-O 3.48Å; K157-E175 PolarHBondContact O-N 3.03Å
158F98.8Very high96.7Very high0 Ų030.4 Ų30.40%016%0.156CC..EExtended strand (participates in β ladder)trans-149.7151.6175.262.1-81000111.4L73 L75 F101 I145 K151 V153 F172 M173 I174L73-F158 HydrophobicContact CD1-CE1 3.99Å; L73-F158 HydrophobicContact CD1-CZ 4.09Å; L73-F158 HydrophobicContact CD2-CD1 3.72Å; L73-F158 HydrophobicContact CD2-CE1 3.8Å; L73-F158 HydrophobicContact CD2-CG 4.31Å; L73-F158 HydrophobicContact CD2-CZ 4.43Å; L75-F158 HydrophobicContact CD1-CB 4.48Å; L75-F158 HydrophobicContact CD1-CD2 4.47Å; L75-F158 HydrophobicContact CD2-CD2 3.81Å; L75-F158 HydrophobicContact CD2-CE2 3.77Å; L75-F158 HydrophobicContact CD2-CG 4.39Å; L75-F158 HydrophobicContact CD2-CZ 4.34Å; F101-F158 HydrophobicContact CB-CE2 4.23Å; F101-F158 HydrophobicContact CD1-CE2 4.1Å; F101-F158 HydrophobicContact CD1-CZ 4.08Å; F101-F158 HydrophobicContact CD2-CE2 4.03Å; F101-F158 AromaticContact CD2-CZ 3.64Å; F101-F158 HydrophobicContact CD2-CZ 3.64Å; F101-F158 HydrophobicContact CE1-CE2 4.5Å; F101-F158 HydrophobicContact CE1-CZ 4.08Å; F101-F158 HydrophobicContact CE2-CE1 4.47Å; F101-F158 HydrophobicContact CE2-CE2 4.45Å; F101-F158 AromaticContact CE2-CZ 3.65Å; F101-F158 HydrophobicContact CE2-CZ 3.65Å; F101-F158 AromaticContact CG-CE2 3.84Å; F101-F158 HydrophobicContact CG-CE2 3.84Å; F101-F158 AromaticContact CG-CZ 3.86Å; F101-F158 HydrophobicContact CG-CZ 3.86Å; F101-F158 AromaticContact CZ-CZ 3.86Å; F101-F158 HydrophobicContact CZ-CZ 3.86Å; I145-F158 HydrophobicContact CD1-CD2 3.79Å; I145-F158 HydrophobicContact CD1-CE2 3.61Å; K151-F158 HydrophobicContact CB-CD1 4.37Å; K151-F158 HydrophobicContact CB-CD2 4.4Å; K151-F158 HydrophobicContact CB-CE1 3.77Å; K151-F158 HydrophobicContact CB-CE2 3.83Å; K151-F158 HydrophobicContact CB-CZ 3.47Å; K151-F158 VanDerWaalsContact CB-CZ 3.47Å; K151-F158 HydrophobicContact CG-CE2 4.39Å; K151-F158 HydrophobicContact CG-CZ 4.28Å; K151-F158 PolarHBondContact N-O 2.71Å; K151-F158 PolarHBondContact O-N 3.32Å; V153-F158 HydrophobicContact CB-CE1 4.2Å; V153-F158 HydrophobicContact CG2-CE1 3.67Å; V153-F158 HydrophobicContact CG2-CZ 4.09Å; F158-F172 HydrophobicContact CD2-CD1 4.35Å; F158-F172 HydrophobicContact CD2-CE1 4.39Å; F158-M173 WeakPolarHBondContact CA-O 3.36Å; F158-M173 WeakPolarHBondContact CB-O 3.49Å; F158-I174 HydrophobicContact CB-CG1 4.36Å
159W98.8Very high96.7Very high26 Ų2625.9 Ų25.910%0.09814%0.136CC..EExtended strand (participates in β ladder)trans-149163.3173.658.195.5000108.7E149 V150 K157 Y161 M173 E175E149-W159 WeakPolarHBondContact O-CA 3.35Å; E149-W159 WeakPolarHBondContact O-CB 3.47Å; V150-W159 HydrophobicContact CG1-CE3 4.3Å; V150-W159 HydrophobicContact CG2-CB 4.27Å; V150-W159 HydrophobicContact CG2-CD2 4.35Å; V150-W159 HydrophobicContact CG2-CE3 4.07Å; V150-W159 HydrophobicContact CG2-CG 4.49Å; K157-W159 HydrophobicContact CB-CZ3 4.49Å; W159-Y161 AromaticContact CD1-CE2 3.56Å; W159-Y161 AromaticContact CD1-CZ 3.66Å; W159-Y161 AromaticContact NE1-CE2 3.27Å; W159-Y161 VanDerWaalsContact NE1-CE2 3.27Å; W159-Y161 AromaticContact NE1-CZ 3.27Å; W159-Y161 VanDerWaalsContact NE1-CZ 3.27Å; W159-Y161 PolarHBondContact NE1-OH 2.9Å; W159-M173 HydrophobicContact CD2-CB 4.05Å; W159-M173 HydrophobicContact CD2-CG 4.19Å; W159-M173 VanDerWaalsContact CE2-CG 3.4Å; W159-M173 HydrophobicContact CG-CB 4.31Å; W159-M173 HydrophobicContact CH2-CG 3.81Å; W159-M173 HydrophobicContact CZ2-CB 3.96Å; W159-M173 HydrophobicContact CZ2-CG 3.21Å; W159-M173 HydrophobicContact CZ3-CG 4.49Å; W159-M173 PolarHBondContact N-O 3.05Å; W159-M173 PolarHBondContact O-N 2.83Å; W159-E175 HydrophobicContact CH2-CB 4.32Å; W159-E175 HydrophobicContact CZ3-CB 4.19Å
160C98.7Very high96.8Very high0 Ų023 Ų230%012%0.122CC..EExtended strand (participates in β ladder)trans-123148.6178.757.70000113.5H148 A170 M171 F172H148-C160 PolarHBondContact N-O 3.05Å; C160-A170 HydrophobicContact CB-CB 3.74Å; C160-M171 CarbonylContact C-O 3.58Å; C160-M171 VanDerWaalsContact CA-O 3.24Å; C160-M171 WeakPolarHBondContact CA-O 3.17Å; C160-F172 HydrophobicContact CB-CD1 3.92Å; C160-F172 HydrophobicContact CB-CE1 3.91Å; C160-F172 HydrophobicContact CB-CG 4.42Å; C160-F172 HydrophobicContact CB-CZ 4.39Å
161Y98.6Very high96.8Very high22 Ų2218.8 Ų18.89%0.08610%0.096CC..EExtended strand (participates in β ladder)trans-107.9159.6172.3-63.7-80.6000109.7H148 W159 A163 A170 M171 M173 L182 E199 P201H148-Y161 AromaticContact CD2-CD1 3.71Å; H148-Y161 AromaticContact NE2-CD1 3.85Å; W159-Y161 AromaticContact CD1-CE2 3.56Å; W159-Y161 AromaticContact CD1-CZ 3.66Å; W159-Y161 AromaticContact NE1-CE2 3.27Å; W159-Y161 VanDerWaalsContact NE1-CE2 3.27Å; W159-Y161 AromaticContact NE1-CZ 3.27Å; W159-Y161 VanDerWaalsContact NE1-CZ 3.27Å; W159-Y161 PolarHBondContact NE1-OH 2.9Å; Y161-A163 PolarHBondContact O-N 3.3Å; Y161-A170 WeakPolarHBondContact O-CA 3.44Å; Y161-M171 PolarHBondContact N-O 2.84Å; Y161-M171 PolarHBondContact O-N 2.83Å; Y161-M173 HydrophobicContact CD2-CB 4.44Å; Y161-M173 HydrophobicContact CE2-CB 3.87Å; Y161-M173 HydrophobicContact CE2-CE 4.31Å; Y161-L182 HydrophobicContact CD2-CD1 4.33Å; Y161-E199 WeakPolarHBondContact CA-OE2 3.19Å; Y161-E199 VanDerWaalsContact CB-OE2 3.31Å; Y161-E199 WeakPolarHBondContact CB-OE2 3.41Å; Y161-E199 HydrophobicContact CD1-CB 4.45Å; Y161-E199 VanDerWaalsContact CD1-OE2 3.31Å; Y161-E199 WeakPolarHBondContact CD1-OE2 3.34Å; Y161-P201 HydrophobicContact CD1-CG 4.45Å; Y161-P201 HydrophobicContact CD2-CB 4.32Å; Y161-P201 HydrophobicContact CD2-CG 3.71Å; Y161-P201 HydrophobicContact CE1-CB 4.22Å; Y161-P201 HydrophobicContact CE1-CG 4.41Å; Y161-P201 HydrophobicContact CE2-CB 3.74Å; Y161-P201 HydrophobicContact CE2-CG 3.63Å; Y161-P201 HydrophobicContact CG-CG 4.12Å
162H98Very high96.8Very high26 Ų2615.6 Ų15.612%0.128%0.083CC..EExtended strand (participates in β ladder)trans-66.1132172.7-70-76.6000110.6F147 M171 M196 A198 E199F147-H162 AromaticContact CD1-CE1 3.87Å; F147-H162 AromaticContact CD1-CG 3.95Å; F147-H162 AromaticContact CD1-ND1 3.71Å; F147-H162 AromaticContact CD2-CE1 3.22Å; F147-H162 WeakPolarHBondContact CD2-CE1 3.23Å; F147-H162 AromaticContact CD2-ND1 3.77Å; F147-H162 AromaticContact CD2-NE2 3.81Å; F147-H162 HydrophobicContact CE1-CB 4.5Å; F147-H162 AromaticContact CE1-CE1 3.98Å; F147-H162 AromaticContact CE1-CG 4Å; F147-H162 AromaticContact CE1-ND1 3.51Å; F147-H162 AromaticContact CE2-CE1 3.36Å; F147-H162 WeakPolarHBondContact CE2-CE1 3.26Å; F147-H162 AromaticContact CE2-ND1 3.56Å; F147-H162 AromaticContact CG-CE1 3.49Å; F147-H162 VanDerWaalsContact CG-CE1 3.49Å; F147-H162 WeakPolarHBondContact CG-CE1 3.46Å; F147-H162 AromaticContact CG-ND1 3.83Å; F147-H162 AromaticContact CG-NE2 3.71Å; F147-H162 AromaticContact CZ-CE1 3.74Å; F147-H162 AromaticContact CZ-ND1 3.42Å; F147-H162 WeakPolarHBondContact CZ-ND1 3.19Å; H162-M171 WeakPolarHBondContact O-CE 3.43Å; H162-M196 HydrophobicContact CB-CG 4.18Å; H162-M196 HydrophobicContact CB-SD 3.59Å; H162-M196 VanDerWaalsContact CB-SD 3.59Å; H162-M196 PolarHBondContact CD2-SD 2.95Å; H162-A198 CarbonylContact O-C 3.59Å; H162-A198 WeakPolarHBondContact O-CA 3.42Å; H162-E199 HydrophobicContact CB-CG 4.15Å; H162-E199 IonicContact CD2-OE1 3.49Å; H162-E199 PolarHBondContact CD2-OE1 3.34Å; H162-E199 PolarHBondContact N-OE2 3.4Å; H162-E199 VanDerWaalsContact N-OE2 3.08Å; H162-E199 PolarHBondContact O-N 2.93Å
163A97.9Very high96.9Very high0 Ų010.9 Ų10.90%06%0.061CC..  trans-97.4-8.1176.700000113.6Y161 H165 A169 M171 F187 S188 A198Y161-A163 PolarHBondContact O-N 3.3Å; A163-H165 PolarHBondContact O-N 3.31Å; A163-A169 HydrophobicContact CB-CB 3.84Å; A163-A169 PolarHBondContact N-O 2.87Å; A163-A169 VanDerWaalsContact N-O 3.08Å; A163-M171 HydrophobicContact CB-CG 3.75Å; A163-F187 HydrophobicContact CB-CB 4.02Å; A163-F187 CarbonylContact O-C 3.5Å; A163-F187 WeakPolarHBondContact O-CA 3.43Å; A163-F187 WeakPolarHBondContact O-CB 3.43Å; A163-S188 PolarHBondContact O-N 2.85Å; A163-A198 VanDerWaalsContact O-CB 3.29Å; A163-A198 WeakPolarHBondContact O-CB 3.37Å
164G95.6Very high97Very high6 Ų610.4 Ų10.46%0.0626%0.058CC..  trans64.5-129.4-165.600000109.5V166 A169 M196G164-V166 PolarHBondContact O-N 2.88Å; G164-A169 WeakPolarHBondContact O-CB 3.32Å; G164-M196 WeakPolarHBondContact CA-O 3.31Å
165H95.6Very high97.3Very high0 Ų011.1 Ų11.10%06%0.055CC..SBendtrans57.5-66.7172.1-17767.8000115.9H78 H80 A163 D186 S188 R252 S401 A402 H403H78-H165 AromaticContact CD2-CD2 3.96Å; H78-H165 AromaticContact NE2-CD2 3.87Å; H78-H165 AromaticContact NE2-NE2 3.7Å; H80-H165 AromaticContact CE1-CD2 3.99Å; H80-H165 AromaticContact CE1-CE1 3.8Å; H80-H165 AromaticContact CE1-NE2 3.06Å; H80-H165 PolarHBondContact CE1-NE2 2.86Å; H80-H165 AromaticContact ND1-NE2 3.14Å; H80-H165 PolarHBondContact ND1-NE2 2.82Å; H80-H165 VanDerWaalsContact ND1-NE2 3.14Å; A163-H165 PolarHBondContact O-N 3.31Å; H165-D186 IonicContact NE2-OD2 3.96Å; H165-S188 PolarHBondContact N-OG 3.01Å; H165-R252 PolarHBondContact O-NE 3.04Å; H165-R252 PolarHBondContact O-NH1 3.01Å; H165-R252 PolarHBondContact O-NH2 2.84Å; H165-S401 PolarHBondContact CE1-O 3.31Å; H165-S401 VanDerWaalsContact CE1-O 3.29Å; H165-S401 PolarHBondContact ND1-O 3.31Å; H165-A402 PolarHBondContact ND1-O 3.5Å; H165-H403 AromaticContact CE1-CE1 3.56Å; H165-H403 AromaticContact CE1-NE2 3.74Å
166V95.6Very high97.5Very high2 Ų210.8 Ų10.81%0.0125%0.051CC..SBendtrans-140.4162.1170.6-64.60000112.3H78 F79 H80 G164 G168 A169 L195H78-V166 HydrophobicContact CB-CG2 3.86Å; F79-V166 HydrophobicContact CD1-CG2 4.02Å; F79-V166 HydrophobicContact CE1-CB 3.7Å; F79-V166 HydrophobicContact CE1-CG2 3.57Å; F79-V166 HydrophobicContact CE2-CB 4.28Å; F79-V166 HydrophobicContact CE2-CG1 4.42Å; F79-V166 HydrophobicContact CE2-CG2 4.26Å; F79-V166 HydrophobicContact CZ-CB 3.52Å; F79-V166 HydrophobicContact CZ-CG1 4.02Å; F79-V166 HydrophobicContact CZ-CG2 3.73Å; H80-V166 VanDerWaalsContact CE1-CG1 3.41Å; H80-V166 WeakPolarHBondContact CE1-CG1 3.5Å; H80-V166 WeakPolarHBondContact NE2-CG1 3.26Å; G164-V166 PolarHBondContact O-N 2.88Å; V166-G168 PolarHBondContact O-N 3.16Å; V166-G168 VanDerWaalsContact O-N 3.07Å; V166-A169 HydrophobicContact CG2-CB 3.9Å; V166-A169 WeakPolarHBondContact O-CB 3.39Å; V166-A169 PolarHBondContact O-N 2.76Å; V166-L195 VanDerWaalsContact CA-CD1 3.47Å
167L95.1Very high97.1Very high0 Ų012.7 Ų12.70%07%0.066CC..THydrogen-bonded Turntrans-58.2114.8-177.9-175.463.1000112.2F79 A105 I109 L195 Y289 A295 M296F79-L167 HydrophobicContact CE1-CB 4.47Å; F79-L167 WeakPolarHBondContact CE1-O 3.41Å; A105-L167 HydrophobicContact CB-CG 4.26Å; I109-L167 HydrophobicContact CD1-CB 4.17Å; I109-L167 HydrophobicContact CD1-CD2 4.18Å; I109-L167 HydrophobicContact CD1-CG 4.35Å; L167-L195 HydrophobicContact CB-CD2 4.19Å; L167-L195 HydrophobicContact CD1-CD2 4.05Å; L167-Y289 HydrophobicContact CB-CE1 3.89Å; L167-Y289 HydrophobicContact CB-CE2 4.46Å; L167-Y289 HydrophobicContact CD2-CD1 3.64Å; L167-Y289 HydrophobicContact CD2-CD2 3.99Å; L167-Y289 HydrophobicContact CD2-CE1 3.74Å; L167-Y289 HydrophobicContact CD2-CE2 4.08Å; L167-Y289 HydrophobicContact CD2-CG 3.75Å; L167-Y289 HydrophobicContact CG-CE1 4.43Å; L167-A295 HydrophobicContact CD1-CB 4Å; L167-M296 HydrophobicContact CD1-CE 4.11Å; L167-M296 HydrophobicContact CD1-CG 3.87Å; L167-M296 HydrophobicContact CD2-CE 3.85Å
168G95.9Very high96.7Very high5 Ų510.4 Ų10.45%0.0527%0.067CC..THydrogen-bonded Turntrans91.3-0.3-179.800000115.4T103 T106 V166T103-G168 WeakPolarHBondContact CB-O 3.39Å; T103-G168 VanDerWaalsContact CG2-O 3.25Å; T103-G168 WeakPolarHBondContact CG2-O 3.37Å; T103-G168 PolarHBondContact OG1-O 2.9Å; T106-G168 PolarHBondContact OG1-O 3.43Å; T106-G168 VanDerWaalsContact OG1-O 3.07Å; V166-G168 PolarHBondContact O-N 3.16Å; V166-G168 VanDerWaalsContact O-N 3.07Å
169A98.1Very high96.5Very high2 Ų210.9 Ų10.92%0.0177%0.07CC..  trans-61.3139.4176.800000111.9S77 H78 A163 G164 V166S77-A169 WeakPolarHBondContact O-CA 3.27Å; H78-A169 HydrophobicContact CB-CB 3.66Å; A163-A169 HydrophobicContact CB-CB 3.84Å; A163-A169 PolarHBondContact N-O 2.87Å; A163-A169 VanDerWaalsContact N-O 3.08Å; G164-A169 WeakPolarHBondContact O-CB 3.32Å; V166-A169 HydrophobicContact CG2-CB 3.9Å; V166-A169 WeakPolarHBondContact O-CB 3.39Å; V166-A169 PolarHBondContact O-N 2.76Å
170A98.6Very high96.4Very high0 Ų012 Ų120%08%0.075CC..EExtended strand (participates in β ladder)trans-131.2133.7-169.900000112.4S77 T103 F147 C160 Y161 F172S77-A170 PolarHBondContact O-N 3.39Å; T103-A170 HydrophobicContact CG2-CB 3.63Å; F147-A170 HydrophobicContact CE1-CB 4.18Å; C160-A170 HydrophobicContact CB-CB 3.74Å; Y161-A170 WeakPolarHBondContact O-CA 3.44Å; A170-F172 HydrophobicContact CB-CD2 4.38Å; A170-F172 HydrophobicContact CB-CE2 3.95Å; A170-F172 HydrophobicContact CB-CZ 4.3Å
171M98.9Very high96.4Very high0 Ų012 Ų120%08%0.075CC..EExtended strand (participates in β ladder)trans-92.3119162.7-52.7-176.9-72.500108.4C160 Y161 H162 A163 L182 Y183 T184 F187 A198 E199 F412C160-M171 CarbonylContact C-O 3.58Å; C160-M171 VanDerWaalsContact CA-O 3.24Å; C160-M171 WeakPolarHBondContact CA-O 3.17Å; Y161-M171 PolarHBondContact N-O 2.84Å; Y161-M171 PolarHBondContact O-N 2.83Å; H162-M171 WeakPolarHBondContact O-CE 3.43Å; A163-M171 HydrophobicContact CB-CG 3.75Å; M171-L182 HydrophobicContact CB-CD1 4.09Å; M171-Y183 CarbonylContact C-O 3.29Å; M171-Y183 VanDerWaalsContact CA-O 3.24Å; M171-Y183 WeakPolarHBondContact CA-O 3.42Å; M171-T184 WeakPolarHBondContact CG-O 3.38Å; M171-T184 HydrophobicContact SD-CG2 4.21Å; M171-F187 HydrophobicContact SD-CB 4.38Å; M171-F187 HydrophobicContact SD-CD2 4.28Å; M171-F187 HydrophobicContact SD-CG 4.49Å; M171-A198 HydrophobicContact CE-CB 4.11Å; M171-A198 HydrophobicContact SD-CB 4.33Å; M171-E199 HydrophobicContact CE-CB 4.48Å; M171-E199 WeakPolarHBondContact CE-O 3.39Å; M171-F412 HydrophobicContact CE-CZ 4.46Å; M171-F412 HydrophobicContact SD-CE2 4.38Å; M171-F412 HydrophobicContact SD-CZ 3.91Å
172F98.9Very high96.4Very high0 Ų010.9 Ų10.90%07%0.071CC..EExtended strand (participates in β ladder)trans-90.6122.3-178.5-77.9-82000111.3L75 I76 I145 F158 C160 A170 L182 Y183L75-F172 HydrophobicContact CB-CD1 4.36Å; L75-F172 HydrophobicContact CB-CD2 4.07Å; L75-F172 HydrophobicContact CB-CE1 4.42Å; L75-F172 HydrophobicContact CB-CE2 4.14Å; L75-F172 HydrophobicContact CB-CG 4.17Å; L75-F172 HydrophobicContact CB-CZ 4.31Å; L75-F172 HydrophobicContact CD1-CB 4.04Å; L75-F172 HydrophobicContact CD1-CD1 3.87Å; L75-F172 HydrophobicContact CD1-CE1 4.5Å; L75-F172 HydrophobicContact CD1-CG 3.95Å; L75-F172 HydrophobicContact CD2-CD1 4.22Å; L75-F172 HydrophobicContact CD2-CE1 4.04Å; L75-F172 HydrophobicContact CD2-CZ 4.5Å; L75-F172 HydrophobicContact CG-CD1 4.38Å; I76-F172 WeakPolarHBondContact O-CE2 3.37Å; I145-F172 HydrophobicContact CG2-CE1 4.13Å; I145-F172 HydrophobicContact CG2-CZ 4.41Å; F158-F172 HydrophobicContact CD2-CD1 4.35Å; F158-F172 HydrophobicContact CD2-CE1 4.39Å; C160-F172 HydrophobicContact CB-CD1 3.92Å; C160-F172 HydrophobicContact CB-CE1 3.91Å; C160-F172 HydrophobicContact CB-CG 4.42Å; C160-F172 HydrophobicContact CB-CZ 4.39Å; A170-F172 HydrophobicContact CB-CD2 4.38Å; A170-F172 HydrophobicContact CB-CE2 3.95Å; A170-F172 HydrophobicContact CB-CZ 4.3Å; F172-L182 WeakPolarHBondContact O-CA 2.95Å; F172-Y183 PolarHBondContact N-O 3.22Å; F172-Y183 PolarHBondContact O-N 2.95Å
173M98.9Very high96.5Very high0 Ų09.8 Ų9.80%07%0.065CC..EExtended strand (participates in β ladder)trans-95128.5166.5-176.569.377.700108.8F158 W159 Y161 K180 I181 L182 P201 V203 P205F158-M173 WeakPolarHBondContact CA-O 3.36Å; F158-M173 WeakPolarHBondContact CB-O 3.49Å; W159-M173 HydrophobicContact CD2-CB 4.05Å; W159-M173 HydrophobicContact CD2-CG 4.19Å; W159-M173 VanDerWaalsContact CE2-CG 3.4Å; W159-M173 HydrophobicContact CG-CB 4.31Å; W159-M173 HydrophobicContact CH2-CG 3.81Å; W159-M173 HydrophobicContact CZ2-CB 3.96Å; W159-M173 HydrophobicContact CZ2-CG 3.21Å; W159-M173 HydrophobicContact CZ3-CG 4.49Å; W159-M173 PolarHBondContact N-O 3.05Å; W159-M173 PolarHBondContact O-N 2.83Å; Y161-M173 HydrophobicContact CD2-CB 4.44Å; Y161-M173 HydrophobicContact CE2-CB 3.87Å; Y161-M173 HydrophobicContact CE2-CE 4.31Å; M173-K180 HydrophobicContact SD-CB 4.18Å; M173-I181 CarbonylContact C-O 3.6Å; M173-I181 WeakPolarHBondContact CA-O 3.29Å; M173-L182 HydrophobicContact CB-CD1 4.15Å; M173-L182 HydrophobicContact CE-CB 3.99Å; M173-L182 HydrophobicContact CE-CD1 3.98Å; M173-L182 HydrophobicContact CE-CG 4.39Å; M173-L182 HydrophobicContact SD-CB 4.08Å; M173-L182 HydrophobicContact SD-CD1 4.45Å; M173-P201 HydrophobicContact CE-CB 4.12Å; M173-P201 HydrophobicContact CE-CG 4.42Å; M173-V203 WeakPolarHBondContact CE-O 3.41Å; M173-P205 HydrophobicContact CE-CB 4.16Å; M173-P205 HydrophobicContact SD-CB 4.16Å
174I98.8Very high96.5Very high0 Ų09.8 Ų9.80%07%0.065CC..EExtended strand (participates in β ladder)trans-123.8130.2-173.7-59.6163.3000107.7L37 I44 L46 L75 I156 K157 F158 I176 K180 I181L37-I174 HydrophobicContact CD2-CD1 4.35Å; L37-I174 HydrophobicContact CD2-CG2 4.39Å; I44-I174 HydrophobicContact CD1-CG2 3.75Å; L46-I174 HydrophobicContact CD2-CD1 3.57Å; L75-I174 HydrophobicContact CD1-CD1 3.8Å; L75-I174 HydrophobicContact CD1-CG1 3.9Å; I156-I174 HydrophobicContact CG2-CG2 3.78Å; K157-I174 CarbonylContact O-C 3.55Å; K157-I174 WeakPolarHBondContact O-CA 3.49Å; F158-I174 HydrophobicContact CB-CG1 4.36Å; I174-I176 HydrophobicContact CG2-CD1 4.29Å; I174-I176 HydrophobicContact CG2-CG1 4.12Å; I174-K180 CarbonylContact O-C 3.43Å; I174-K180 WeakPolarHBondContact O-CA 3.33Å; I174-I181 HydrophobicContact CB-CB 4.46Å; I174-I181 PolarHBondContact N-O 2.79Å; I174-I181 PolarHBondContact O-N 3.44Å
175E97.4Very high96.7Very high53 Ų539.5 Ų9.525%0.2486%0.063CC..EExtended strand (participates in β ladder)trans-123.3120.2177.5-175.3-175.6177.500110.5K157 W159 V179 K180K157-E175 HydrophobicContact CB-CB 4.26Å; K157-E175 PolarHBondContact N-O 3.48Å; K157-E175 PolarHBondContact O-N 3.03Å; W159-E175 HydrophobicContact CH2-CB 4.32Å; W159-E175 HydrophobicContact CZ3-CB 4.19Å; E175-V179 WeakPolarHBondContact CA-O 3.35Å; E175-K180 HydrophobicContact CB-CG 4.18Å; E175-K180 HydrophobicContact CG-CG 4.05Å
176I93.8Very high96.8Very high1 Ų19.6 Ų9.61%0.0056%0.063CC..EExtended strand (participates in β ladder)trans-129117.8176.4-53.7172.2000107.9L37 F39 I44 I156 I174 G178 V179 F497L37-I176 HydrophobicContact CD2-CD1 4.49Å; F39-I176 HydrophobicContact CB-CD1 4.34Å; F39-I176 HydrophobicContact CD1-CB 3.87Å; F39-I176 HydrophobicContact CD1-CG2 3.64Å; F39-I176 HydrophobicContact CE1-CB 4.49Å; F39-I176 HydrophobicContact CE1-CG2 4.31Å; I44-I176 HydrophobicContact CD1-CD1 3.63Å; I44-I176 HydrophobicContact CD1-CG1 4.48Å; I156-I176 HydrophobicContact CB-CG1 4.47Å; I156-I176 HydrophobicContact CG1-CD1 4.39Å; I156-I176 HydrophobicContact CG1-CG1 4.24Å; I156-I176 HydrophobicContact CG2-CD1 4.45Å; I156-I176 HydrophobicContact CG2-CG1 4.03Å; I174-I176 HydrophobicContact CG2-CD1 4.29Å; I174-I176 HydrophobicContact CG2-CG1 4.12Å; I176-G178 PolarHBondContact O-N 2.97Å; I176-G178 VanDerWaalsContact O-N 3.09Å; I176-V179 PolarHBondContact N-O 2.82Å; I176-V179 PolarHBondContact O-N 3.06Å; I176-F497 HydrophobicContact CG2-CD2 4.18Å; I176-F497 HydrophobicContact CG2-CE2 3.61Å; I176-F497 HydrophobicContact CG2-CZ 3.86Å
177A88.9Confident96.9Very high40 Ų409.5 Ų9.533%0.3316%0.063SC..THydrogen-bonded Turntrans49.336.7-179.800000114.2F39 K40 V179 F497F39-A177 HydrophobicContact CE1-CB 4.42Å; K40-A177 HydrophobicContact CD-CB 3.64Å; A177-V179 VanDerWaalsContact C-N 3.34Å; A177-V179 PolarHBondContact O-N 3.17Å; A177-F497 HydrophobicContact CB-CB 3.93Å; A177-F497 HydrophobicContact CB-CD1 4.08Å; A177-F497 HydrophobicContact CB-CD2 4.48Å; A177-F497 HydrophobicContact CB-CG 3.89Å
178G89.4Confident97Very high36 Ų369.9 Ų9.937%0.3717%0.065SC..THydrogen-bonded Turntrans90.3-19178.500000115.5I176 K180I176-G178 PolarHBondContact O-N 2.97Å; I176-G178 VanDerWaalsContact O-N 3.09Å; G178-K180 PolarHBondContact O-NZ 2.89Å
179V94.6Very high97Very high10 Ų1012.5 Ų12.56%0.0617%0.074CC..EExtended strand (participates in β ladder)trans-75.2126.6175-177.30000109.1L19 F39 E175 I176 A177 D206 I207 F465L19-V179 HydrophobicContact CD1-CG1 4.01Å; F39-V179 HydrophobicContact CE1-CB 4.06Å; F39-V179 HydrophobicContact CE1-CG2 3.69Å; F39-V179 HydrophobicContact CZ-CG2 3.85Å; E175-V179 WeakPolarHBondContact CA-O 3.35Å; I176-V179 PolarHBondContact N-O 2.82Å; I176-V179 PolarHBondContact O-N 3.06Å; A177-V179 VanDerWaalsContact C-N 3.34Å; A177-V179 PolarHBondContact O-N 3.17Å; V179-D206 WeakPolarHBondContact CA-OD2 3.21Å; V179-D206 HydrophobicContact CG1-CB 4.31Å; V179-I207 HydrophobicContact CG1-CD1 4.47Å; V179-F465 HydrophobicContact CG1-CD1 3.99Å; V179-F465 HydrophobicContact CG1-CD2 4.17Å; V179-F465 HydrophobicContact CG1-CE1 4.06Å; V179-F465 HydrophobicContact CG1-CE2 4.24Å; V179-F465 HydrophobicContact CG1-CG 4.05Å; V179-F465 HydrophobicContact CG1-CZ 4.18Å; V179-F465 HydrophobicContact CG2-CB 3.66Å; V179-F465 HydrophobicContact CG2-CD1 3.83Å; V179-F465 HydrophobicContact CG2-CD2 4.48Å; V179-F465 HydrophobicContact CG2-CG 3.72Å
180K97.6Very high96.8Very high48 Ų4815.9 Ų15.921%0.2099%0.089CC..EExtended strand (participates in β ladder)trans-110.3127.1-176-76.7175-79.2-64.20111.6M173 I174 E175 G178 V203 D206 I207M173-K180 HydrophobicContact SD-CB 4.18Å; I174-K180 CarbonylContact O-C 3.43Å; I174-K180 WeakPolarHBondContact O-CA 3.33Å; E175-K180 HydrophobicContact CB-CG 4.18Å; E175-K180 HydrophobicContact CG-CG 4.05Å; G178-K180 PolarHBondContact O-NZ 2.89Å; K180-V203 HydrophobicContact CD-CG1 3.45Å; K180-V203 VanDerWaalsContact CD-CG1 3.45Å; K180-D206 PolarHBondContact N-OD2 3.04Å; K180-D206 PolarHBondContact O-N 2.88Å; K180-I207 PolarHBondContact O-N 2.77Å; K180-I207 VanDerWaalsContact O-N 3.15Å
181I98.8Very high96.5Very high0 Ų019.2 Ų19.20%011%0.105CC..EExtended strand (participates in β ladder)trans-123.8125.2-178.3-56.6145.7000107.5L19 L37 M173 I174 I207 I209L19-I181 HydrophobicContact CD1-CD1 3.85Å; L19-I181 HydrophobicContact CD1-CG1 4.45Å; L37-I181 HydrophobicContact CD1-CD1 3.73Å; L37-I181 HydrophobicContact CD2-CD1 3.46Å; L37-I181 VanDerWaalsContact CD2-CD1 3.46Å; L37-I181 HydrophobicContact CG-CD1 4.21Å; M173-I181 CarbonylContact C-O 3.6Å; M173-I181 WeakPolarHBondContact CA-O 3.29Å; I174-I181 HydrophobicContact CB-CB 4.46Å; I174-I181 PolarHBondContact N-O 2.79Å; I174-I181 PolarHBondContact O-N 3.44Å; I181-I207 CarbonylContact C-O 3.53Å; I181-I207 WeakPolarHBondContact CA-O 3.34Å; I181-I207 HydrophobicContact CB-CB 4.49Å; I181-I207 HydrophobicContact CD1-CD1 4.47Å; I181-I207 HydrophobicContact CG1-CB 4.11Å; I181-I207 HydrophobicContact CG1-CD1 3.8Å; I181-I207 HydrophobicContact CG1-CG1 4.48Å; I181-I207 HydrophobicContact CG2-CB 4.26Å; I181-I207 HydrophobicContact CG2-CG2 4.32Å; I181-I209 HydrophobicContact CG2-CD1 4Å; I181-I209 HydrophobicContact CG2-CG1 4.31Å
182L98.9Very high96.1Very high0 Ų020 Ų200%011%0.109CC..EExtended strand (participates in β ladder)trans-104.5122.3172.2-177.968.8000109.1Y161 M171 F172 M173 P201 P205 I207 L208 I209 F412 L416Y161-L182 HydrophobicContact CD2-CD1 4.33Å; M171-L182 HydrophobicContact CB-CD1 4.09Å; F172-L182 WeakPolarHBondContact O-CA 2.95Å; M173-L182 HydrophobicContact CB-CD1 4.15Å; M173-L182 HydrophobicContact CE-CB 3.99Å; M173-L182 HydrophobicContact CE-CD1 3.98Å; M173-L182 HydrophobicContact CE-CG 4.39Å; M173-L182 HydrophobicContact SD-CB 4.08Å; M173-L182 HydrophobicContact SD-CD1 4.45Å; L182-P201 HydrophobicContact CD1-CG 4.33Å; L182-P201 HydrophobicContact CD2-CG 3.88Å; L182-P205 HydrophobicContact CB-CB 3.9Å; L182-P205 HydrophobicContact CB-CG 3.95Å; L182-I207 PolarHBondContact N-O 2.94Å; L182-L208 HydrophobicContact CB-CD1 4.13Å; L182-L208 HydrophobicContact CD2-CD1 3.91Å; L182-L208 HydrophobicContact CG-CD1 4.14Å; L182-I209 PolarHBondContact O-N 2.78Å; L182-F412 HydrophobicContact CD2-CE1 4.16Å; L182-F412 HydrophobicContact CD2-CZ 3.97Å; L182-L416 HydrophobicContact CD2-CD1 3.86Å
183Y98.9Very high95.8Very high2 Ų222.3 Ų22.31%0.00812%0.118CC..EExtended strand (participates in β ladder)trans-105.2121.5168.3175-127.2000109.6I35 L46 D47 M171 F172 I209 V424I35-Y183 HydrophobicContact CD1-CE2 3.81Å; L46-Y183 HydrophobicContact CB-CD1 3.88Å; L46-Y183 HydrophobicContact CB-CE1 3.91Å; L46-Y183 HydrophobicContact CB-CG 4.37Å; L46-Y183 HydrophobicContact CD1-CD1 4.18Å; L46-Y183 HydrophobicContact CD1-CD2 4.4Å; L46-Y183 HydrophobicContact CD1-CG 3.9Å; L46-Y183 HydrophobicContact CD2-CD1 4.4Å; L46-Y183 HydrophobicContact CG-CD1 4.38Å; D47-Y183 VanDerWaalsContact OD2-CE1 3.29Å; D47-Y183 WeakPolarHBondContact OD2-CE1 3.36Å; D47-Y183 PolarHBondContact OD2-OH 2.94Å; M171-Y183 CarbonylContact C-O 3.29Å; M171-Y183 VanDerWaalsContact CA-O 3.24Å; M171-Y183 WeakPolarHBondContact CA-O 3.42Å; F172-Y183 PolarHBondContact N-O 3.22Å; F172-Y183 PolarHBondContact O-N 2.95Å; Y183-I209 WeakPolarHBondContact CA-O 3.12Å; Y183-I209 HydrophobicContact CD2-CB 3.93Å; Y183-I209 HydrophobicContact CD2-CG2 3.72Å; Y183-I209 HydrophobicContact CE2-CG2 4.12Å; Y183-V424 HydrophobicContact CE2-CG2 4.45Å
184T98.8Very high95.5Very high0 Ų022.3 Ų22.30%012%0.118CC..  trans-78.2-25.6-175.962.70000113.3M171 F187 L208 I209 T210 E211 F412M171-T184 WeakPolarHBondContact CG-O 3.38Å; M171-T184 HydrophobicContact SD-CG2 4.21Å; T184-F187 HydrophobicContact CG2-CD1 4.37Å; T184-F187 HydrophobicContact CG2-CE1 4.37Å; T184-L208 HydrophobicContact CG2-CD1 3.87Å; T184-I209 PolarHBondContact N-O 2.94Å; T184-T210 WeakPolarHBondContact OG1-CA 3.44Å; T184-T210 PolarHBondContact OG1-OG1 3.42Å; T184-E211 PolarHBondContact OG1-N 3.06Å; T184-F412 HydrophobicContact CG2-CE1 4.02Å; T184-F412 HydrophobicContact CG2-CZ 4.5Å
185G98.6Very high95.3Very high1 Ų122.5 Ų22.51%0.0112%0.119CC..  trans53.8-141.1-154.100000109.3
186D98.4Very high95.1Very high2 Ų221.5 Ų21.51%0.01111%0.114CC..SBendtrans-93.2136168.1-67.5-6.4000110.6H78 H83 H165 E211 H403 H425H78-D186 IonicContact CE1-OD2 3.72Å; H78-D186 IonicContact NE2-OD2 3.66Å; H83-D186 IonicContact CE1-OD1 3.83Å; H83-D186 IonicContact NE2-OD1 3.92Å; H83-D186 IonicContact NE2-OD2 3.26Å; H83-D186 PolarHBondContact NE2-OD2 3.24Å; H165-D186 IonicContact NE2-OD2 3.96Å; D186-E211 VanDerWaalsContact CA-OE1 3.31Å; D186-E211 WeakPolarHBondContact CA-OE1 3.46Å; D186-H403 IonicContact OD2-CE1 3.3Å; D186-H403 PolarHBondContact OD2-CE1 3.22Å; D186-H403 VanDerWaalsContact OD2-CE1 3.28Å; D186-H403 IonicContact OD2-ND1 3.78Å; D186-H425 IonicContact OD1-CE1 3.93Å; D186-H425 IonicContact OD1-CG 2.69Å; D186-H425 IonicContact OD1-ND1 3.3Å; D186-H425 PolarHBondContact OD1-ND1 3.41Å; D186-H425 IonicContact OD2-CE1 3.41Å; D186-H425 PolarHBondContact OD2-CE1 3.34Å; D186-H425 IonicContact OD2-ND1 2.81Å
187F98.1Very high95.3Very high0 Ų022.8 Ų22.80%013%0.125CC..  trans-144.3152.9-173.881.2-62.8000113.1A163 M171 T184 R189 A198 E211 H403 T404 F412A163-F187 HydrophobicContact CB-CB 4.02Å; A163-F187 CarbonylContact O-C 3.5Å; A163-F187 WeakPolarHBondContact O-CA 3.43Å; A163-F187 WeakPolarHBondContact O-CB 3.43Å; M171-F187 HydrophobicContact SD-CB 4.38Å; M171-F187 HydrophobicContact SD-CD2 4.28Å; M171-F187 HydrophobicContact SD-CG 4.49Å; T184-F187 HydrophobicContact CG2-CD1 4.37Å; T184-F187 HydrophobicContact CG2-CE1 4.37Å; F187-R189 HydrophobicContact CD2-CG 4.07Å; F187-R189 HydrophobicContact CE2-CG 3.8Å; F187-A198 HydrophobicContact CB-CB 4.07Å; F187-A198 HydrophobicContact CD2-CB 3.67Å; F187-A198 HydrophobicContact CG-CB 4.37Å; F187-E211 HydrophobicContact CD1-CG 3.82Å; F187-E211 HydrophobicContact CE1-CG 3.89Å; F187-E211 PolarHBondContact N-OE1 2.68Å; F187-H403 CarbonylContact O-C 3.6Å; F187-H403 WeakPolarHBondContact O-CA 3.45Å; F187-T404 HydrophobicContact CD1-CG2 4.2Å; F187-T404 HydrophobicContact CD2-CG2 3.85Å; F187-T404 HydrophobicContact CE1-CG2 3.85Å; F187-T404 WeakPolarHBondContact CE1-OG1 3.31Å; F187-T404 HydrophobicContact CE2-CG2 3.48Å; F187-T404 VanDerWaalsContact CE2-CG2 3.48Å; F187-T404 HydrophobicContact CG-CG2 4.2Å; F187-T404 HydrophobicContact CZ-CG2 3.48Å; F187-T404 VanDerWaalsContact CZ-CG2 3.48Å; F187-T404 PolarHBondContact O-N 3.24Å; F187-T404 VanDerWaalsContact O-N 3.14Å; F187-F412 HydrophobicContact CE2-CB 4.33Å; F187-F412 HydrophobicContact CE2-CD1 4.08Å; F187-F412 AromaticContact CE2-CD2 3.96Å; F187-F412 HydrophobicContact CE2-CD2 3.96Å; F187-F412 HydrophobicContact CE2-CE1 4.35Å; F187-F412 HydrophobicContact CE2-CE2 4.24Å; F187-F412 AromaticContact CE2-CG 3.87Å; F187-F412 HydrophobicContact CE2-CG 3.87Å; F187-F412 HydrophobicContact CE2-CZ 4.42Å; F187-F412 HydrophobicContact CZ-CB 4.48Å; F187-F412 HydrophobicContact CZ-CD1 4.13Å; F187-F412 HydrophobicContact CZ-CG 4.22Å
188S97.1Very high95.7Very high7 Ų720.9 Ų20.95%0.04911%0.11CC..  trans-129128.8176.470.60000110.9A163 H165 A197 A198 A402A163-S188 PolarHBondContact O-N 2.85Å; H165-S188 PolarHBondContact N-OG 3.01Å; S188-A197 CarbonylContact O-C 3.52Å; S188-A198 WeakPolarHBondContact O-CB 3.31Å; S188-A198 PolarHBondContact O-N 3.41Å; S188-A402 VanDerWaalsContact CB-O 3.29Å; S188-A402 WeakPolarHBondContact CB-O 3.4Å
189R95.9Very high96.1Very high61 Ų6121.7 Ų21.723%0.2310%0.103CC..SBendtrans-93.94.2179.3-74.7-73.7-64.1139.48.9114.4F187 A197 A198 T404 Q408 E411F187-R189 HydrophobicContact CD2-CG 4.07Å; F187-R189 HydrophobicContact CE2-CG 3.8Å; R189-A197 WeakPolarHBondContact O-CB 3.09Å; R189-A198 WeakPolarHBondContact CD-O 3.31Å; R189-A198 HydrophobicContact CG-CB 4.37Å; R189-A198 PolarHBondContact NH1-O 3.47Å; R189-T404 HydrophobicContact CB-CG2 4.18Å; R189-T404 HydrophobicContact CG-CG2 3.91Å; R189-Q408 HydrophobicContact CB-CB 4.07Å; R189-Q408 HydrophobicContact CB-CG 4.07Å; R189-E411 IonicContact NH2-OE1 3.25Å
190Q93.3Very high96.3Very high73 Ų7324.2 Ų24.234%0.34112%0.116SC..SBendtrans-104.7135.9172.5-170.417249.800110.1
191E92.6Very high96.2Very high70 Ų7022.2 Ų22.233%0.32711%0.108SC..  trans-71.2132.1170.5-165.3-172-15500109.2L195 N297 K299E191-L195 VanDerWaalsContact CG-O 3.25Å; E191-L195 WeakPolarHBondContact CG-O 3.31Å; E191-N297 HydrophobicContact CG-CB 4.35Å; E191-N297 WeakPolarHBondContact OE1-CB 3.31Å; E191-K299 IonicContact OE2-NZ 2.77Å; E191-K299 PolarHBondContact OE2-NZ 2.82Å
192D90.4Very high96Very high17 Ų1727.7 Ų27.79%0.09115%0.146CC..  trans-101.4-169.6174.277.123.6000110.5H194 L195 R252 E255 N297D192-H194 PolarHBondContact O-N 3.2Å; D192-H194 IonicContact OD1-CE1 3.67Å; D192-H194 IonicContact OD1-CG 3.26Å; D192-H194 PolarHBondContact OD1-N 2.66Å; D192-H194 IonicContact OD1-ND1 3.78Å; D192-H194 PolarHBondContact OD1-ND1 2.89Å; D192-H194 IonicContact OD2-CE1 3.59Å; D192-H194 IonicContact OD2-ND1 3.52Å; D192-L195 PolarHBondContact N-O 3.05Å; D192-L195 WeakPolarHBondContact OD1-CA 3.42Å; D192-L195 WeakPolarHBondContact OD1-CB 3.43Å; D192-L195 PolarHBondContact OD1-N 3.25Å; D192-R252 IonicContact OD2-CZ 2.74Å; D192-R252 IonicContact OD2-NH1 2.69Å; D192-R252 PolarHBondContact OD2-NH1 3.4Å; D192-R252 IonicContact OD2-NH2 3.83Å; D192-E255 WeakPolarHBondContact CB-OE1 3.07Å; D192-N297 PolarHBondContact O-ND2 2.91Å; D192-N297 VanDerWaalsContact O-ND2 3.1Å
193R93.3Very high95.7Very high47 Ų4730.1 Ų30.118%0.17716%0.161CC..SBendtrans-64-29.1-178.7-68.6167.4165.8-96.4-1.2112.3E226 E255 L258 E262 N297 I300R193-E226 IonicContact CZ-OE2 3.55Å; R193-E226 IonicContact NE-OE1 3.55Å; R193-E226 PolarHBondContact NE-OE1 2.91Å; R193-E226 IonicContact NE-OE2 3.27Å; R193-E226 PolarHBondContact NE-OE2 3.01Å; R193-E226 IonicContact NH2-OE2 3.79Å; R193-E226 PolarHBondContact NH2-OE2 2.79Å; R193-E255 VanDerWaalsContact CB-OE1 3.29Å; R193-E255 WeakPolarHBondContact CB-OE1 3.42Å; R193-E255 WeakPolarHBondContact CB-OE2 3.41Å; R193-E255 VanDerWaalsContact CG-OE1 3.25Å; R193-E255 WeakPolarHBondContact CG-OE1 3.33Å; R193-E255 PolarHBondContact N-OE1 3.08Å; R193-E255 PolarHBondContact N-OE2 3.33Å; R193-L258 HydrophobicContact CB-CD1 4.16Å; R193-E262 IonicContact CZ-OE1 2.75Å; R193-E262 IonicContact CZ-OE2 3.08Å; R193-E262 IonicContact NH1-OE1 2.68Å; R193-E262 PolarHBondContact NH1-OE1 2.84Å; R193-E262 IonicContact NH1-OE2 3.72Å; R193-E262 PolarHBondContact NH1-OE2 2.81Å; R193-E262 IonicContact NH2-OE1 3.67Å; R193-E262 PolarHBondContact NH2-OE1 3Å; R193-E262 IonicContact NH2-OE2 2.68Å; R193-N297 VanDerWaalsContact C-ND2 3.32Å; R193-N297 PolarHBondContact O-ND2 3.43Å; R193-I300 WeakPolarHBondContact O-CG1 3.46Å
194H92.5Very high95.6Very high0 Ų035.6 Ų35.60%019%0.185CC..SBendtrans-125.2-22.4-174.870.6-67.1000117.3D192 R252 E255 L258 Y289 M296 N297 I300 F310D192-H194 PolarHBondContact O-N 3.2Å; D192-H194 IonicContact OD1-CE1 3.67Å; D192-H194 IonicContact OD1-CG 3.26Å; D192-H194 PolarHBondContact OD1-N 2.66Å; D192-H194 IonicContact OD1-ND1 3.78Å; D192-H194 PolarHBondContact OD1-ND1 2.89Å; D192-H194 IonicContact OD2-CE1 3.59Å; D192-H194 IonicContact OD2-ND1 3.52Å; H194-R252 PolarHBondContact CE1-NH2 2.83Å; H194-E255 IonicContact CE1-OE2 3.36Å; H194-E255 PolarHBondContact CE1-OE2 3.39Å; H194-E255 IonicContact CG-OE2 3.31Å; H194-E255 IonicContact ND1-OE2 3.12Å; H194-E255 PolarHBondContact ND1-OE2 2.76Å; H194-L258 HydrophobicContact CB-CD1 3.91Å; H194-Y289 AromaticContact NE2-CE1 3.84Å; H194-M296 WeakPolarHBondContact O-CA 3.48Å; H194-M296 WeakPolarHBondContact O-CB 3.46Å; H194-N297 WeakPolarHBondContact CA-ND2 3.25Å; H194-N297 PolarHBondContact N-ND2 2.97Å; H194-N297 PolarHBondContact O-N 3.4Å; H194-I300 HydrophobicContact CB-CD1 4.25Å; H194-I300 HydrophobicContact CB-CG1 3.84Å; H194-F310 HydrophobicContact CB-CZ 3.95Å
195L94.4Very high95.6Very high4 Ų435.8 Ų35.82%0.02119%0.186CC..SBendtrans-106151.4-178.9-58-176.8000111.5V166 L167 E191 D192V166-L195 VanDerWaalsContact CA-CD1 3.47Å; L167-L195 HydrophobicContact CB-CD2 4.19Å; L167-L195 HydrophobicContact CD1-CD2 4.05Å; E191-L195 VanDerWaalsContact CG-O 3.25Å; E191-L195 WeakPolarHBondContact CG-O 3.31Å; D192-L195 PolarHBondContact N-O 3.05Å; D192-L195 WeakPolarHBondContact OD1-CA 3.42Å; D192-L195 WeakPolarHBondContact OD1-CB 3.43Å; D192-L195 PolarHBondContact OD1-N 3.25Å
196M93.6Very high95.5Very high33 Ų3338 Ų3816%0.16320%0.197CC..PPolyproline II helixtrans-79.1157.4170.753.7-178.36100111.2H162 G164H162-M196 HydrophobicContact CB-CG 4.18Å; H162-M196 HydrophobicContact CB-SD 3.59Å; H162-M196 VanDerWaalsContact CB-SD 3.59Å; H162-M196 PolarHBondContact CD2-SD 2.95Å; G164-M196 WeakPolarHBondContact CA-O 3.31Å
197A96.5Very high95.6Very high28 Ų2837.9 Ų37.923%0.23120%0.197CC..PPolyproline II helixtrans-66.4152166.100000110.7S188 R189S188-A197 CarbonylContact O-C 3.52Å; R189-A197 WeakPolarHBondContact O-CB 3.09Å
198A97.9Very high95.6Very high0 Ų037.9 Ų37.90%020%0.197CC..PPolyproline II helixtrans-55.9141.817300000110.7H162 A163 M171 F187 S188 R189H162-A198 CarbonylContact O-C 3.59Å; H162-A198 WeakPolarHBondContact O-CA 3.42Å; A163-A198 VanDerWaalsContact O-CB 3.29Å; A163-A198 WeakPolarHBondContact O-CB 3.37Å; M171-A198 HydrophobicContact CE-CB 4.11Å; M171-A198 HydrophobicContact SD-CB 4.33Å; F187-A198 HydrophobicContact CB-CB 4.07Å; F187-A198 HydrophobicContact CD2-CB 3.67Å; F187-A198 HydrophobicContact CG-CB 4.37Å; S188-A198 WeakPolarHBondContact O-CB 3.31Å; S188-A198 PolarHBondContact O-N 3.41Å; R189-A198 WeakPolarHBondContact CD-O 3.31Å; R189-A198 HydrophobicContact CG-CB 4.37Å; R189-A198 PolarHBondContact NH1-O 3.47Å
199E98.1Very high95.7Very high52 Ų5237.5 Ų37.524%0.24319%0.194CC..PPolyproline II helixtrans-77.4152.7179.1-66.8169.3151.200111.6H148 Y161 H162 M171 P201 F412H148-E199 IonicContact CD2-OE2 3.79Å; H148-E199 IonicContact CE1-OE1 3.16Å; H148-E199 PolarHBondContact CE1-OE1 3.12Å; H148-E199 VanDerWaalsContact CE1-OE1 3.25Å; H148-E199 IonicContact CE1-OE2 3.84Å; H148-E199 VanDerWaalsContact NE2-CD 3.35Å; H148-E199 IonicContact NE2-OE1 3.98Å; H148-E199 PolarHBondContact NE2-OE1 2.96Å; H148-E199 IonicContact NE2-OE2 3.64Å; H148-E199 PolarHBondContact NE2-OE2 2.99Å; Y161-E199 WeakPolarHBondContact CA-OE2 3.19Å; Y161-E199 VanDerWaalsContact CB-OE2 3.31Å; Y161-E199 WeakPolarHBondContact CB-OE2 3.41Å; Y161-E199 HydrophobicContact CD1-CB 4.45Å; Y161-E199 VanDerWaalsContact CD1-OE2 3.31Å; Y161-E199 WeakPolarHBondContact CD1-OE2 3.34Å; H162-E199 HydrophobicContact CB-CG 4.15Å; H162-E199 IonicContact CD2-OE1 3.49Å; H162-E199 PolarHBondContact CD2-OE1 3.34Å; H162-E199 PolarHBondContact N-OE2 3.4Å; H162-E199 VanDerWaalsContact N-OE2 3.08Å; H162-E199 PolarHBondContact O-N 2.93Å; M171-E199 HydrophobicContact CE-CB 4.48Å; M171-E199 WeakPolarHBondContact CE-O 3.39Å; E199-P201 WeakPolarHBondContact O-CD 3.27Å; E199-F412 WeakPolarHBondContact O-CE2 3.24Å
200I98.1Very high95.8Very high63 Ų6334.6 Ų34.632%0.32318%0.184SC..  trans-96.5112.3164.1-61.2179.6000107S202 F412 A415 L416I200-S202 PolarHBondContact O-N 3.31Å; I200-F412 HydrophobicContact CG1-CD2 4.02Å; I200-F412 HydrophobicContact CG1-CE2 4.2Å; I200-A415 HydrophobicContact CD1-CB 4.05Å; I200-A415 HydrophobicContact CG2-CB 3.91Å; I200-L416 HydrophobicContact CG2-CD2 4.02Å; I200-L416 HydrophobicContact CG2-CG 4.48Å
201P96.9Very high96Very high7 Ų731.2 Ų31.25%0.04517%0.168CC..  trans-55.3134.4178.1-30.137.6000112.5Y161 M173 L182 E199 V203 L416Y161-P201 HydrophobicContact CD1-CG 4.45Å; Y161-P201 HydrophobicContact CD2-CB 4.32Å; Y161-P201 HydrophobicContact CD2-CG 3.71Å; Y161-P201 HydrophobicContact CE1-CB 4.22Å; Y161-P201 HydrophobicContact CE1-CG 4.41Å; Y161-P201 HydrophobicContact CE2-CB 3.74Å; Y161-P201 HydrophobicContact CE2-CG 3.63Å; Y161-P201 HydrophobicContact CG-CG 4.12Å; M173-P201 HydrophobicContact CE-CB 4.12Å; M173-P201 HydrophobicContact CE-CG 4.42Å; L182-P201 HydrophobicContact CD1-CG 4.33Å; L182-P201 HydrophobicContact CD2-CG 3.88Å; E199-P201 WeakPolarHBondContact O-CD 3.27Å; P201-V203 PolarHBondContact O-N 3.18Å; P201-L416 HydrophobicContact CB-CD2 4.4Å
202S93.1Very high96.3Very high115 Ų11528 Ų2880%0.80415%0.152SC*.SBendtrans-69.7-24.9170.656.50000112.3I200I200-S202 PolarHBondContact O-N 3.31Å
203V94.2Very high96.4Very high50 Ų5027.2 Ų27.230%0.30315%0.148SC..SBendtrans-87.2119.3174.9-177.50000108.8M173 K180 P201M173-V203 WeakPolarHBondContact CE-O 3.41Å; K180-V203 HydrophobicContact CD-CG1 3.45Å; K180-V203 VanDerWaalsContact CD-CG1 3.45Å; P201-V203 PolarHBondContact O-N 3.18Å
204K96.1Very high96.4Very high118 Ų11825.7 Ų25.751%0.51314%0.143SC..PPolyproline II helixtrans-75.9129177.4-66.5-172.8172.5-167.80111.1L416K204-L416 WeakPolarHBondContact CD-O 3.44Å
205P97.9Very high96Very high3 Ų325.7 Ų25.72%0.01914%0.143CC..PPolyproline II helixtrans-82152.7173.833.1-33.1000111.6M173 L182 I207 L416 P418M173-P205 HydrophobicContact CE-CB 4.16Å; M173-P205 HydrophobicContact SD-CB 4.16Å; L182-P205 HydrophobicContact CB-CB 3.9Å; L182-P205 HydrophobicContact CB-CG 3.95Å; P205-I207 WeakPolarHBondContact CB-O 3.29Å; P205-L416 HydrophobicContact CG-CD1 4.4Å; P205-P418 HydrophobicContact CG-CB 4.44Å
206D97.9Very high95.8Very high47 Ų4727.7 Ų27.725%0.25116%0.155SC..SBendtrans-78.9-31.2169.4-57.4-64.7000111.1V179 K180 P419 H420 F465V179-D206 WeakPolarHBondContact CA-OD2 3.21Å; V179-D206 HydrophobicContact CG1-CB 4.31Å; K180-D206 PolarHBondContact N-OD2 3.04Å; K180-D206 PolarHBondContact O-N 2.88Å; D206-P419 VanDerWaalsContact O-CD 3.32Å; D206-P419 WeakPolarHBondContact O-CD 3.49Å; D206-H420 PolarHBondContact O-N 2.79Å; D206-F465 HydrophobicContact CB-CE1 3.81Å; D206-F465 HydrophobicContact CB-CZ 4.15Å
207I98.8Very high95.7Very high0 Ų029.7 Ų29.70%016%0.164CC..EExtended strand (participates in β ladder)trans-131.2130.8178.1-58.1156.8000109.5L19 I21 V179 K180 I181 L182 P205 I209 H420 I422 L463 F465L19-I207 HydrophobicContact CD1-CD1 3.62Å; L19-I207 HydrophobicContact CD2-CD1 3.65Å; L19-I207 HydrophobicContact CG-CD1 4.29Å; I21-I207 HydrophobicContact CD1-CD1 4.22Å; I21-I207 HydrophobicContact CD1-CG2 3.83Å; V179-I207 HydrophobicContact CG1-CD1 4.47Å; K180-I207 PolarHBondContact O-N 2.77Å; K180-I207 VanDerWaalsContact O-N 3.15Å; I181-I207 CarbonylContact C-O 3.53Å; I181-I207 WeakPolarHBondContact CA-O 3.34Å; I181-I207 HydrophobicContact CB-CB 4.49Å; I181-I207 HydrophobicContact CD1-CD1 4.47Å; I181-I207 HydrophobicContact CG1-CB 4.11Å; I181-I207 HydrophobicContact CG1-CD1 3.8Å; I181-I207 HydrophobicContact CG1-CG1 4.48Å; I181-I207 HydrophobicContact CG2-CB 4.26Å; I181-I207 HydrophobicContact CG2-CG2 4.32Å; L182-I207 PolarHBondContact N-O 2.94Å; P205-I207 WeakPolarHBondContact CB-O 3.29Å; I207-I209 HydrophobicContact CG2-CG1 4.27Å; I207-H420 WeakPolarHBondContact CA-O 3.02Å; I207-H420 HydrophobicContact CG1-CB 4.3Å; I207-I422 HydrophobicContact CG2-CD1 3.82Å; I207-I422 HydrophobicContact CG2-CG1 4.48Å; I207-L463 HydrophobicContact CD1-CD1 3.76Å; I207-L463 HydrophobicContact CG1-CD1 3.81Å; I207-F465 HydrophobicContact CD1-CE2 3.65Å; I207-F465 HydrophobicContact CD1-CZ 3.81Å; I207-F465 HydrophobicContact CG1-CE2 4.18Å; I207-F465 HydrophobicContact CG1-CZ 3.85Å
208L98.9Very high95.4Very high0 Ų033.6 Ų33.60%018%0.18CC..EExtended strand (participates in β ladder)trans-110.8119.3170.3174.563000109.7L182 T184 T210 F412 I413 P418 H420 V421 I422L182-L208 HydrophobicContact CB-CD1 4.13Å; L182-L208 HydrophobicContact CD2-CD1 3.91Å; L182-L208 HydrophobicContact CG-CD1 4.14Å; T184-L208 HydrophobicContact CG2-CD1 3.87Å; L208-T210 HydrophobicContact CD2-CG2 4.33Å; L208-T210 HydrophobicContact CG-CG2 4.3Å; L208-F412 HydrophobicContact CD1-CE1 4.06Å; L208-F412 HydrophobicContact CD2-CD1 4.27Å; L208-F412 HydrophobicContact CD2-CE1 4.33Å; L208-I413 HydrophobicContact CD2-CG1 3.83Å; L208-P418 HydrophobicContact CB-CB 3.9Å; L208-P418 HydrophobicContact CB-CG 3.68Å; L208-P418 HydrophobicContact CD2-CG 4.05Å; L208-H420 PolarHBondContact N-O 3.04Å; L208-V421 HydrophobicContact CB-CG2 4.48Å; L208-V421 HydrophobicContact CD2-CG2 4.48Å; L208-V421 CarbonylContact O-C 3.59Å; L208-V421 WeakPolarHBondContact O-CA 3.45Å; L208-I422 PolarHBondContact O-N 3.48Å
209I98.9Very high95Very high0 Ų035.4 Ų35.40%019%0.188CC..EExtended strand (participates in β ladder)trans-101.3113.5168-52.5172.6000106.8I21 I35 L46 I181 L182 Y183 T184 I207 I422 V424I21-I209 HydrophobicContact CD1-CD1 4.02Å; I21-I209 HydrophobicContact CD1-CG1 4.37Å; I21-I209 HydrophobicContact CG1-CD1 4.49Å; I21-I209 HydrophobicContact CG2-CD1 4.1Å; I35-I209 HydrophobicContact CG2-CD1 4.5Å; L46-I209 HydrophobicContact CD1-CD1 3.97Å; I181-I209 HydrophobicContact CG2-CD1 4Å; I181-I209 HydrophobicContact CG2-CG1 4.31Å; L182-I209 PolarHBondContact O-N 2.78Å; Y183-I209 WeakPolarHBondContact CA-O 3.12Å; Y183-I209 HydrophobicContact CD2-CB 3.93Å; Y183-I209 HydrophobicContact CD2-CG2 3.72Å; Y183-I209 HydrophobicContact CE2-CG2 4.12Å; T184-I209 PolarHBondContact N-O 2.94Å; I207-I209 HydrophobicContact CG2-CG1 4.27Å; I209-I422 WeakPolarHBondContact CA-O 3.21Å; I209-I422 HydrophobicContact CG1-CB 4.32Å; I209-I422 HydrophobicContact CG1-CD1 4.36Å; I209-V424 HydrophobicContact CG2-CG1 4.08Å; I209-V424 HydrophobicContact CG2-CG2 3.86Å
210T98.7Very high94.6Very high0 Ų035.8 Ų35.80%019%0.19CC..EExtended strand (participates in β ladder)trans-133.1146.9-171.7-165.60000112.9T184 L208 V421 I422 L423 V424T184-T210 WeakPolarHBondContact OG1-CA 3.44Å; T184-T210 PolarHBondContact OG1-OG1 3.42Å; L208-T210 HydrophobicContact CD2-CG2 4.33Å; L208-T210 HydrophobicContact CG-CG2 4.3Å; T210-V421 HydrophobicContact CG2-CG1 4.08Å; T210-I422 PolarHBondContact N-O 3.09Å; T210-L423 HydrophobicContact CG2-CD2 3.9Å; T210-V424 PolarHBondContact O-N 2.82Å
211E98.4Very high94.4Very high2 Ų238.7 Ų38.71%0.00920%0.201CC..EExtended strand (participates in β ladder)trans-62.9162.1174.166.6154.513200112.4T184 D186 F187 T213 H403 V424 H425T184-E211 PolarHBondContact OG1-N 3.06Å; D186-E211 VanDerWaalsContact CA-OE1 3.31Å; D186-E211 WeakPolarHBondContact CA-OE1 3.46Å; F187-E211 HydrophobicContact CD1-CG 3.82Å; F187-E211 HydrophobicContact CE1-CG 3.89Å; F187-E211 PolarHBondContact N-OE1 2.68Å; E211-T213 VanDerWaalsContact OE2-CB 3.23Å; E211-T213 WeakPolarHBondContact OE2-CB 3.16Å; E211-T213 PolarHBondContact OE2-OG1 3.38Å; E211-H403 IonicContact OE1-CG 3.28Å; E211-H403 IonicContact OE1-ND1 3.39Å; E211-H403 PolarHBondContact OE1-ND1 3.23Å; E211-H403 IonicContact OE2-CE1 3.97Å; E211-H403 IonicContact OE2-CG 3.58Å; E211-H403 IonicContact OE2-ND1 2.7Å; E211-H403 PolarHBondContact OE2-ND1 2.88Å; E211-V424 CarbonylContact C-O 3.37Å; E211-V424 VanDerWaalsContact CA-O 3.3Å; E211-V424 WeakPolarHBondContact CA-O 3.42Å; E211-H425 HydrophobicContact CB-CB 4.04Å
212S97.7Very high94.1Very high1 Ų141 Ų411%0.00721%0.208CC..  trans-137.617.6-179.553.60000113.5Y214 G215 V424 H425 G426 M431S212-Y214 PolarHBondContact O-N 3.25Å; S212-G215 PolarHBondContact O-N 2.86Å; S212-V424 PolarHBondContact N-O 2.77Å; S212-V424 PolarHBondContact OG-O 2.84Å; S212-H425 CarbonylContact C-O 3.17Å; S212-H425 PolarHBondContact N-O 3.29Å; S212-H425 PolarHBondContact OG-O 3.37Å; S212-G426 WeakPolarHBondContact OG-CA 3.44Å; S212-M431 WeakPolarHBondContact OG-CE 3.39Å
213T93.3Very high94.2Very high1 Ų140.8 Ų40.81%0.00620%0.195CC..THydrogen-bonded Turntrans-52.4-47.1-171.8-42.90000113.7E211 Y364 H425E211-T213 VanDerWaalsContact OE2-CB 3.23Å; E211-T213 WeakPolarHBondContact OE2-CB 3.16Å; E211-T213 PolarHBondContact OE2-OG1 3.38Å; T213-Y364 HydrophobicContact CG2-CD2 3.84Å; T213-Y364 HydrophobicContact CG2-CE2 4.08Å; T213-Y364 HydrophobicContact CG2-CG 4.23Å; T213-H425 PolarHBondContact N-O 2.92Å; T213-H425 PolarHBondContact OG1-ND1 2.52Å; T213-H425 VanDerWaalsContact OG1-ND1 3.09Å; T213-H425 PolarHBondContact OG1-O 2.98Å
214Y91.8Very high94.2Very high16 Ų1643.4 Ų43.46%0.06320%0.203CC..BIsolated β-bridgetrans-119.626.8177.7-71.3-90.1000112.8S212 T216 H217 Y364 Y397 S399 S401 H403 T404S212-Y214 PolarHBondContact O-N 3.25Å; Y214-T216 PolarHBondContact O-N 3.4Å; Y214-H217 HydrophobicContact CD1-CB 4.18Å; Y214-H217 AromaticContact CD1-CD2 3.7Å; Y214-H217 PolarHBondContact O-N 3.32Å; Y214-Y364 AromaticContact CE2-CD2 4Å; Y214-Y364 HydrophobicContact CE2-CD2 4Å; Y214-Y364 AromaticContact CZ-CD2 3.85Å; Y214-Y397 PolarHBondContact OH-OH 3.25Å; Y214-S399 PolarHBondContact OH-OG 2.83Å; Y214-S401 PolarHBondContact OH-OG 2.76Å; Y214-H403 HydrophobicContact CD2-CB 3.69Å; Y214-H403 AromaticContact CD2-CD2 3.88Å; Y214-H403 HydrophobicContact CE2-CB 4.33Å; Y214-H403 AromaticContact CE2-CD2 3.65Å; Y214-T404 WeakPolarHBondContact CB-O 3.37Å
215G85.4Confident94.2Very high0 Ų039 Ų390%018%0.183CC..THydrogen-bonded Turntrans-60.5-15.3-171.800000115.7S212 Y406 L434S212-G215 PolarHBondContact O-N 2.86Å; G215-Y406 WeakPolarHBondContact O-CA 3.45Å; G215-Y406 VanDerWaalsContact O-CB 3.25Å; G215-Y406 WeakPolarHBondContact O-CB 3.3Å; G215-Y406 VanDerWaalsContact O-CD2 3.24Å; G215-Y406 WeakPolarHBondContact O-CD2 3.33Å; G215-L434 WeakPolarHBondContact O-CD1 3.48Å
216T90.3Very high94.2Very high46 Ų4639.6 Ų39.628%0.28219%0.186SC..THydrogen-bonded Turntrans-111.6-2.5177.654.80000114.1Y214 E430 R433 L434Y214-T216 PolarHBondContact O-N 3.4Å; T216-E430 VanDerWaalsContact CG2-O 3.32Å; T216-E430 WeakPolarHBondContact CG2-O 3.23Å; T216-R433 HydrophobicContact CG2-CB 3.45Å; T216-R433 VanDerWaalsContact CG2-CB 3.45Å; T216-L434 HydrophobicContact CG2-CB 4.42Å
217H90.6Very high94.1Very high74 Ų7439.6 Ų39.634%0.34319%0.192SC..  trans-95.2168.1-178.6-62.9-76.3000110Y214 D405 Y406 E430Y214-H217 HydrophobicContact CD1-CB 4.18Å; Y214-H217 AromaticContact CD1-CD2 3.7Å; Y214-H217 PolarHBondContact O-N 3.32Å; H217-D405 WeakPolarHBondContact O-CB 3.31Å; H217-Y406 PolarHBondContact O-N 2.77Å; H217-E430 IonicContact CD2-OE1 3.9Å; H217-E430 IonicContact CE1-OE1 3.08Å; H217-E430 IonicContact NE2-OE1 3.66Å; H217-E430 PolarHBondContact NE2-OE1 2.85Å
218I91.2Very high94.1Very high111 Ų11144 Ų4457%0.56921%0.209SC*.  trans-128127.7169.7-63.4-64.7000106.6Q407I218-Q407 HydrophobicContact CD1-CB 4.31Å
219H88.8Confident94.1Very high37 Ų3744 Ų4417%0.17121%0.209CC..PPolyproline II helixtrans-72140.1179.7-73.5-51.2000111H403 D405H219-H403 PolarHBondContact NE2-O 2.87Å; H219-D405 VanDerWaalsContact CD2-CB 3.47Å; H219-D405 WeakPolarHBondContact CD2-CB 3.49Å; H219-D405 IonicContact CD2-OD2 3.78Å; H219-D405 IonicContact CG-OD2 3.39Å; H219-D405 PolarHBondContact N-OD2 2.79Å
220E90.3Very high94Very high60 Ų6044.3 Ų44.328%0.2821%0.211SC..PPolyproline II helixtrans-61.3155.9159.452.9176.6166.400110R225 R228E220-R225 HydrophobicContact CG-CB 3.84Å; E220-R225 HydrophobicContact CG-CG 4.35Å; E220-R225 WeakPolarHBondContact OE1-CB 3.36Å; E220-R225 VanDerWaalsContact OE1-CG 3.25Å; E220-R225 WeakPolarHBondContact OE1-CG 3.44Å; E220-R228 IonicContact OE1-CZ 3.89Å; E220-R228 IonicContact OE1-NE 2.71Å; E220-R228 PolarHBondContact OE1-NE 3.01Å; E220-R228 IonicContact OE1-NH2 3.63Å; E220-R228 PolarHBondContact OE1-NH2 3.35Å; E220-R228 IonicContact OE2-NE 2.69Å; E220-R228 PolarHBondContact OE2-NE 3.19Å; E220-R228 IonicContact OE2-NH2 3.34Å
221K92.5Very high94Very high125 Ų12548.3 Ų48.354%0.54323%0.233SC..PPolyproline II helixtrans-61.7145.9177.2-68.4-177.7-172.2159.20109.7E223 E224 R225K221-E223 PolarHBondContact O-N 3.21Å; K221-E224 HydrophobicContact CB-CB 4.34Å; K221-E224 HydrophobicContact CB-CG 4.13Å; K221-E224 IonicContact NZ-OE1 3.82Å; K221-E224 PolarHBondContact O-N 3.44Å; K221-E224 VanDerWaalsContact O-N 3.08Å; K221-R225 PolarHBondContact O-N 3.16Å
222R92.4Very high94Very high55 Ų5549.2 Ų49.221%0.20824%0.238CC..Hα-helixtrans-56.4-41.6-179.3-175.9-176.562.989.88.2111.4E224 R225 E226R222-E224 VanDerWaalsContact C-N 3.35Å; R222-E224 PolarHBondContact O-N 3.17Å; R222-R225 PolarHBondContact O-N 3.35Å; R222-E226 WeakPolarHBondContact CD-OE1 3.26Å; R222-E226 HydrophobicContact CG-CG 4.33Å; R222-E226 VanDerWaalsContact CG-OE1 3.31Å; R222-E226 WeakPolarHBondContact CG-OE1 3.48Å; R222-E226 IonicContact CZ-OE1 3.39Å; R222-E226 IonicContact NE-OE1 2.64Å; R222-E226 IonicContact NH1-OE1 3.77Å; R222-E226 PolarHBondContact NH1-OE1 3.31Å; R222-E226 IonicContact NH1-OE2 3.23Å; R222-E226 WeakPolarHBondContact O-CB 3.47Å; R222-E226 WeakPolarHBondContact O-CG 3.49Å; R222-E226 PolarHBondContact O-N 3.01Å
223E93.8Very high94Very high111 Ų11149.1 Ų49.152%0.51924%0.238SC..Hα-helixtrans-64.5-39.9179.7-56.577.7-156.100112.1K221 A227K221-E223 PolarHBondContact O-N 3.21Å; E223-A227 VanDerWaalsContact O-CB 3.29Å; E223-A227 WeakPolarHBondContact O-CB 3.48Å; E223-A227 PolarHBondContact O-N 3.42Å
224E95.8Very high94.3Very high104 Ų10450.4 Ų50.449%0.48624%0.244SC..Hα-helixtrans-68-42.2178.3-67.3167.3-172.500110.7K221 R222 A227 R228K221-E224 HydrophobicContact CB-CB 4.34Å; K221-E224 HydrophobicContact CB-CG 4.13Å; K221-E224 IonicContact NZ-OE1 3.82Å; K221-E224 PolarHBondContact O-N 3.44Å; K221-E224 VanDerWaalsContact O-N 3.08Å; R222-E224 VanDerWaalsContact C-N 3.35Å; R222-E224 PolarHBondContact O-N 3.17Å; E224-A227 PolarHBondContact O-N 3.18Å; E224-R228 WeakPolarHBondContact O-CB 3.22Å; E224-R228 PolarHBondContact O-N 3.36Å
225R95.2Very high94.6Very high25 Ų2554.5 Ų54.59%0.09427%0.267CS..Hα-helixtrans-63.8-47.9175.8-175168.253.3-139.8-6.8113E220 K221 R222 A227 R228 F229 I398 S399 F400E220-R225 HydrophobicContact CG-CB 3.84Å; E220-R225 HydrophobicContact CG-CG 4.35Å; E220-R225 WeakPolarHBondContact OE1-CB 3.36Å; E220-R225 VanDerWaalsContact OE1-CG 3.25Å; E220-R225 WeakPolarHBondContact OE1-CG 3.44Å; K221-R225 PolarHBondContact O-N 3.16Å; R222-R225 PolarHBondContact O-N 3.35Å; R225-A227 VanDerWaalsContact C-N 3.32Å; R225-R228 PolarHBondContact O-N 3.28Å; R225-F229 WeakPolarHBondContact O-CB 3.38Å; R225-F229 PolarHBondContact O-N 2.9Å; R225-I398 HydrophobicContact CG-CG2 3.86Å; R225-S399 WeakPolarHBondContact CD-O 3.48Å; R225-S399 PolarHBondContact NE-O 2.74Å; R225-S399 PolarHBondContact NH1-O 3.03Å; R225-F400 HydrophobicContact CG-CE1 4.08Å; R225-F400 HydrophobicContact CG-CE2 3.97Å; R225-F400 HydrophobicContact CG-CZ 3.69Å
226E96.9Very high95.2Very high17 Ų1754.7 Ų54.78%0.07927%0.267CS..Hα-helixtrans-61.2-43177.2-75.1-176.4-154.300110.5R193 R222 F229 C230 I259 F400R193-E226 IonicContact CZ-OE2 3.55Å; R193-E226 IonicContact NE-OE1 3.55Å; R193-E226 PolarHBondContact NE-OE1 2.91Å; R193-E226 IonicContact NE-OE2 3.27Å; R193-E226 PolarHBondContact NE-OE2 3.01Å; R193-E226 IonicContact NH2-OE2 3.79Å; R193-E226 PolarHBondContact NH2-OE2 2.79Å; R222-E226 WeakPolarHBondContact CD-OE1 3.26Å; R222-E226 HydrophobicContact CG-CG 4.33Å; R222-E226 VanDerWaalsContact CG-OE1 3.31Å; R222-E226 WeakPolarHBondContact CG-OE1 3.48Å; R222-E226 IonicContact CZ-OE1 3.39Å; R222-E226 IonicContact NE-OE1 2.64Å; R222-E226 IonicContact NH1-OE1 3.77Å; R222-E226 PolarHBondContact NH1-OE1 3.31Å; R222-E226 IonicContact NH1-OE2 3.23Å; R222-E226 WeakPolarHBondContact O-CB 3.47Å; R222-E226 WeakPolarHBondContact O-CG 3.49Å; R222-E226 PolarHBondContact O-N 3.01Å; E226-F229 PolarHBondContact O-N 3.12Å; E226-C230 PolarHBondContact O-N 3.22Å; E226-C230 PolarHBondContact O-SG 2.77Å; E226-C230 VanDerWaalsContact O-SG 3.34Å; E226-I259 HydrophobicContact CG-CD1 3.86Å; E226-I259 HydrophobicContact CG-CG1 4.17Å; E226-F400 HydrophobicContact CG-CE1 4.28Å
227A97.1Very high95.6Very high46 Ų4652.7 Ų52.738%0.3826%0.255SS..Hα-helixtrans-62.4-45.7175.400000112E223 E224 R225 F229 C230 N231E223-A227 VanDerWaalsContact O-CB 3.29Å; E223-A227 WeakPolarHBondContact O-CB 3.48Å; E223-A227 PolarHBondContact O-N 3.42Å; E224-A227 PolarHBondContact O-N 3.18Å; R225-A227 VanDerWaalsContact C-N 3.32Å; A227-F229 PolarHBondContact O-N 3.49Å; A227-C230 PolarHBondContact O-N 3.46Å; A227-N231 VanDerWaalsContact O-CB 3.29Å; A227-N231 WeakPolarHBondContact O-CB 3.49Å; A227-N231 PolarHBondContact O-N 3.44Å; A227-N231 PolarHBondContact O-ND2 2.84Å
228R97.9Very high95.9Very high93 Ų9354 Ų5435%0.35127%0.265SS..Hα-helixtrans-59.3-46.9177.1-173166.368.9103-2.4111.2E220 E224 R225 N231 T232 Y397 I398E220-R228 IonicContact OE1-CZ 3.89Å; E220-R228 IonicContact OE1-NE 2.71Å; E220-R228 PolarHBondContact OE1-NE 3.01Å; E220-R228 IonicContact OE1-NH2 3.63Å; E220-R228 PolarHBondContact OE1-NH2 3.35Å; E220-R228 IonicContact OE2-NE 2.69Å; E220-R228 PolarHBondContact OE2-NE 3.19Å; E220-R228 IonicContact OE2-NH2 3.34Å; E224-R228 WeakPolarHBondContact O-CB 3.22Å; E224-R228 PolarHBondContact O-N 3.36Å; R225-R228 PolarHBondContact O-N 3.28Å; R228-N231 PolarHBondContact O-N 2.92Å; R228-T232 PolarHBondContact O-N 2.98Å; R228-T232 PolarHBondContact O-OG1 3.32Å; R228-Y397 PolarHBondContact NH1-O 3.04Å; R228-Y397 VanDerWaalsContact NH1-O 3.1Å; R228-I398 HydrophobicContact CG-CD1 4.25Å
229F98.2Very high96.2Very high0 Ų053.3 Ų53.30%026%0.255CS..Hα-helixtrans-56.7-52.7176.3178.2-107.9000112.5R225 E226 A227 N231 T232 I233 I245 L256 I259 L260 I360 I398 F400R225-F229 WeakPolarHBondContact O-CB 3.38Å; R225-F229 PolarHBondContact O-N 2.9Å; E226-F229 PolarHBondContact O-N 3.12Å; A227-F229 PolarHBondContact O-N 3.49Å; F229-N231 PolarHBondContact O-N 2.66Å; F229-T232 PolarHBondContact O-N 2.83Å; F229-I233 HydrophobicContact CD1-CD1 4.07Å; F229-I233 HydrophobicContact CD2-CD1 4.22Å; F229-I233 HydrophobicContact CE1-CD1 3.61Å; F229-I233 HydrophobicContact CE2-CD1 3.76Å; F229-I233 HydrophobicContact CG-CD1 4.37Å; F229-I233 HydrophobicContact CZ-CD1 3.44Å; F229-I233 VanDerWaalsContact CZ-CD1 3.44Å; F229-I233 WeakPolarHBondContact O-CG1 3.36Å; F229-I233 PolarHBondContact O-N 3.15Å; F229-I245 HydrophobicContact CE2-CD1 4.29Å; F229-I245 HydrophobicContact CZ-CD1 3.95Å; F229-L256 HydrophobicContact CE1-CD2 4.1Å; F229-L256 HydrophobicContact CE2-CD2 4.09Å; F229-L256 HydrophobicContact CZ-CB 4.3Å; F229-L256 HydrophobicContact CZ-CD1 4.48Å; F229-L256 HydrophobicContact CZ-CD2 3.79Å; F229-L256 HydrophobicContact CZ-CG 4.4Å; F229-I259 HydrophobicContact CD1-CG2 3.96Å; F229-I259 HydrophobicContact CE1-CG2 4.26Å; F229-L260 HydrophobicContact CE1-CD1 4.49Å; F229-L260 HydrophobicContact CE1-CD2 3.85Å; F229-L260 HydrophobicContact CE1-CG 3.99Å; F229-L260 HydrophobicContact CZ-CD2 4.43Å; F229-L260 HydrophobicContact CZ-CG 4.48Å; F229-I360 HydrophobicContact CD2-CD1 4.48Å; F229-I360 HydrophobicContact CD2-CG2 4.07Å; F229-I360 HydrophobicContact CE2-CD1 4.43Å; F229-I360 HydrophobicContact CE2-CG2 4.09Å; F229-I398 HydrophobicContact CB-CD1 4.32Å; F229-I398 HydrophobicContact CB-CG2 4.24Å; F229-I398 HydrophobicContact CD2-CD1 4.39Å; F229-F400 HydrophobicContact CB-CE2 3.78Å; F229-F400 HydrophobicContact CB-CZ 3.82Å; F229-F400 HydrophobicContact CD1-CE2 4.48Å; F229-F400 HydrophobicContact CD1-CZ 4.4Å; F229-F400 AromaticContact CD2-CE2 3.79Å; F229-F400 HydrophobicContact CD2-CE2 3.79Å; F229-F400 HydrophobicContact CD2-CZ 4.47Å; F229-F400 AromaticContact CG-CE2 3.77Å; F229-F400 HydrophobicContact CG-CE2 3.77Å; F229-F400 HydrophobicContact CG-CZ 4Å
230C98.3Very high96.6Very high7 Ų757.4 Ų57.45%0.04727%0.274CS..Hα-helixtrans-64-41.6-179.9-68.30000112.4E226 A227 I233 H234 I259 Y263E226-C230 PolarHBondContact O-N 3.22Å; E226-C230 PolarHBondContact O-SG 2.77Å; E226-C230 VanDerWaalsContact O-SG 3.34Å; A227-C230 PolarHBondContact O-N 3.46Å; C230-I233 PolarHBondContact O-N 2.79Å; C230-H234 WeakPolarHBondContact O-CB 3.35Å; C230-H234 PolarHBondContact O-N 3.03Å; C230-I259 VanDerWaalsContact SG-CG2 3.51Å; C230-Y263 HydrophobicContact CB-CD1 4.24Å; C230-Y263 HydrophobicContact CB-CD2 3.44Å; C230-Y263 VanDerWaalsContact CB-CD2 3.44Å; C230-Y263 HydrophobicContact CB-CE1 4.21Å; C230-Y263 HydrophobicContact CB-CE2 3.41Å; C230-Y263 VanDerWaalsContact CB-CE2 3.41Å; C230-Y263 HydrophobicContact CB-CG 3.87Å; C230-Y263 VanDerWaalsContact SG-CD2 3.53Å
231N98.2Very high97Very high83 Ų8354.6 Ų54.644%0.44426%0.261SS..Hα-helixtrans-64.2-43.8179.2-69.6-19.3000111.8A227 R228 F229 I233 H234 D235A227-N231 VanDerWaalsContact O-CB 3.29Å; A227-N231 WeakPolarHBondContact O-CB 3.49Å; A227-N231 PolarHBondContact O-N 3.44Å; A227-N231 PolarHBondContact O-ND2 2.84Å; R228-N231 PolarHBondContact O-N 2.92Å; F229-N231 PolarHBondContact O-N 2.66Å; N231-I233 VanDerWaalsContact C-N 3.29Å; N231-I233 PolarHBondContact O-N 3.41Å; N231-H234 PolarHBondContact O-N 3.3Å; N231-D235 WeakPolarHBondContact O-CB 3.24Å; N231-D235 VanDerWaalsContact O-CG 3.3Å; N231-D235 PolarHBondContact O-N 3.03Å
232T98.4Very high97.3Very high21 Ų2150.3 Ų50.313%0.12924%0.241CC..Hα-helixtrans-58.3-42.8175.9-60.20000111.4R228 F229 D235 I236 I360 D396R228-T232 PolarHBondContact O-N 2.98Å; R228-T232 PolarHBondContact O-OG1 3.32Å; F229-T232 PolarHBondContact O-N 2.83Å; T232-D235 PolarHBondContact O-N 2.85Å; T232-I236 HydrophobicContact CG2-CD1 4.09Å; T232-I236 WeakPolarHBondContact O-CD1 3.35Å; T232-I236 VanDerWaalsContact O-CG1 3.26Å; T232-I236 WeakPolarHBondContact O-CG1 3.45Å; T232-I236 PolarHBondContact O-N 2.77Å; T232-I236 VanDerWaalsContact O-N 3.12Å; T232-I360 HydrophobicContact CG2-CD1 3.69Å; T232-I360 HydrophobicContact CG2-CG1 4.02Å; T232-D396 HydrophobicContact CG2-CB 4.05Å
233I98.3Very high97.6Very high0 Ų047.7 Ų47.70%023%0.232CC..Hα-helixtrans-65.3-46.5177.4-65.8173.4000110.8F229 C230 N231 D235 I236 V237 I245 L260 W264 V331 I360F229-I233 HydrophobicContact CD1-CD1 4.07Å; F229-I233 HydrophobicContact CD2-CD1 4.22Å; F229-I233 HydrophobicContact CE1-CD1 3.61Å; F229-I233 HydrophobicContact CE2-CD1 3.76Å; F229-I233 HydrophobicContact CG-CD1 4.37Å; F229-I233 HydrophobicContact CZ-CD1 3.44Å; F229-I233 VanDerWaalsContact CZ-CD1 3.44Å; F229-I233 WeakPolarHBondContact O-CG1 3.36Å; F229-I233 PolarHBondContact O-N 3.15Å; C230-I233 PolarHBondContact O-N 2.79Å; N231-I233 VanDerWaalsContact C-N 3.29Å; N231-I233 PolarHBondContact O-N 3.41Å; I233-D235 VanDerWaalsContact C-N 3.31Å; I233-D235 PolarHBondContact O-N 2.99Å; I233-I236 PolarHBondContact O-N 2.89Å; I233-V237 WeakPolarHBondContact O-CG2 3.45Å; I233-V237 PolarHBondContact O-N 3.36Å; I233-I245 HydrophobicContact CD1-CD1 3.75Å; I233-L260 HydrophobicContact CD1-CD2 3.54Å; I233-W264 HydrophobicContact CG2-CH2 3.79Å; I233-W264 HydrophobicContact CG2-CZ3 4.19Å; I233-V331 HydrophobicContact CG2-CG1 4.38Å; I233-V331 HydrophobicContact CG2-CG2 3.62Å; I233-I360 HydrophobicContact CD1-CD1 4.05Å; I233-I360 HydrophobicContact CG1-CD1 3.32Å
234H98.4Very high97.8Very high28 Ų2842.4 Ų42.413%0.1321%0.207CC..Hα-helixtrans-58.6-43.8178.5-163161.5000110.9C230 N231 I236 V237 N238 Y263 E269C230-H234 WeakPolarHBondContact O-CB 3.35Å; C230-H234 PolarHBondContact O-N 3.03Å; N231-H234 PolarHBondContact O-N 3.3Å; H234-I236 PolarHBondContact O-N 2.8Å; H234-V237 VanDerWaalsContact O-CG2 3.28Å; H234-V237 WeakPolarHBondContact O-CG2 3.25Å; H234-V237 PolarHBondContact O-N 3.06Å; H234-N238 VanDerWaalsContact CD2-CG 3.45Å; H234-N238 PolarHBondContact CD2-ND2 3.23Å; H234-N238 PolarHBondContact NE2-ND2 3.46Å; H234-N238 VanDerWaalsContact NE2-ND2 3.17Å; H234-N238 VanDerWaalsContact O-CB 3.26Å; H234-N238 WeakPolarHBondContact O-CB 3.17Å; H234-N238 PolarHBondContact O-N 3.08Å; H234-N238 PolarHBondContact O-ND2 3.35Å; H234-Y263 HydrophobicContact CB-CE1 4.4Å; H234-Y263 AromaticContact ND1-CE1 3.97Å; H234-Y263 AromaticContact ND1-CZ 3.89Å; H234-Y263 PolarHBondContact ND1-OH 2.81Å; H234-E269 IonicContact CE1-OE1 3.87Å
235D98.5Very high97.9Very high102 Ų10237.4 Ų37.455%0.54518%0.184SC..Hα-helixtrans-62.5-39.7177.1-72.5-20.7000112.6N231 T232 I233 R239N231-D235 WeakPolarHBondContact O-CB 3.24Å; N231-D235 VanDerWaalsContact O-CG 3.3Å; N231-D235 PolarHBondContact O-N 3.03Å; T232-D235 PolarHBondContact O-N 2.85Å; I233-D235 VanDerWaalsContact C-N 3.31Å; I233-D235 PolarHBondContact O-N 2.99Å; D235-R239 WeakPolarHBondContact O-CG 3.42Å; D235-R239 PolarHBondContact O-N 3.5Å
236I98.6Very high97.9Very high3 Ų336.4 Ų36.42%0.01518%0.18CC..Hα-helixtrans-64.9-45177.2-67.6161000111T232 I233 H234 R239 G241 C243 I360T232-I236 HydrophobicContact CG2-CD1 4.09Å; T232-I236 WeakPolarHBondContact O-CD1 3.35Å; T232-I236 VanDerWaalsContact O-CG1 3.26Å; T232-I236 WeakPolarHBondContact O-CG1 3.45Å; T232-I236 PolarHBondContact O-N 2.77Å; T232-I236 VanDerWaalsContact O-N 3.12Å; I233-I236 PolarHBondContact O-N 2.89Å; H234-I236 PolarHBondContact O-N 2.8Å; I236-R239 VanDerWaalsContact O-CG 3.23Å; I236-R239 WeakPolarHBondContact O-CG 3.44Å; I236-R239 PolarHBondContact O-N 2.95Å; I236-G241 WeakPolarHBondContact O-CA 3.24Å; I236-G241 PolarHBondContact O-N 3.18Å; I236-C243 HydrophobicContact CB-CB 4.31Å; I236-C243 HydrophobicContact CD1-CB 4.17Å; I236-C243 HydrophobicContact CG2-CB 3.83Å; I236-I360 HydrophobicContact CD1-CD1 4.39Å; I236-I360 HydrophobicContact CD1-CG1 4.42Å
237V97.9Very high97.6Very high4 Ų436.3 Ų36.32%0.02418%0.181CC..Hα-helixtrans-74.9-31.7-178.7-59.10000112.1I233 H234 R239 E240 L270 I273 P329 V331I233-V237 WeakPolarHBondContact O-CG2 3.45Å; I233-V237 PolarHBondContact O-N 3.36Å; H234-V237 VanDerWaalsContact O-CG2 3.28Å; H234-V237 WeakPolarHBondContact O-CG2 3.25Å; H234-V237 PolarHBondContact O-N 3.06Å; V237-R239 VanDerWaalsContact C-N 3.29Å; V237-R239 PolarHBondContact O-N 2.82Å; V237-E240 WeakPolarHBondContact O-CA 3.43Å; V237-E240 PolarHBondContact O-N 2.86Å; V237-L270 HydrophobicContact CG2-CD2 4Å; V237-I273 HydrophobicContact CB-CD1 3.87Å; V237-I273 HydrophobicContact CB-CG2 4.26Å; V237-I273 HydrophobicContact CG1-CG2 4.07Å; V237-I273 HydrophobicContact CG2-CD1 3.9Å; V237-P329 HydrophobicContact CB-CB 4.08Å; V237-P329 HydrophobicContact CG1-CB 4.4Å; V237-V331 HydrophobicContact CG1-CG2 3.88Å
238N97.6Very high96.9Very high101 Ų10136.7 Ų36.754%0.5417%0.174SC..Hα-helixtrans-64.1-31.2174.6-85.6-18.3000113.1H234 E240H234-N238 VanDerWaalsContact CD2-CG 3.45Å; H234-N238 PolarHBondContact CD2-ND2 3.23Å; H234-N238 PolarHBondContact NE2-ND2 3.46Å; H234-N238 VanDerWaalsContact NE2-ND2 3.17Å; H234-N238 VanDerWaalsContact O-CB 3.26Å; H234-N238 WeakPolarHBondContact O-CB 3.17Å; H234-N238 PolarHBondContact O-N 3.08Å; H234-N238 PolarHBondContact O-ND2 3.35Å; N238-E240 PolarHBondContact O-N 3.16Å
239R97.7Very high96.1Very high97 Ų9732.5 Ų32.537%0.36616%0.159SC..THydrogen-bonded Turntrans-86.919.5172.270.7-173.4-173.8-167.41.4113.4D235 I236 V237 G241 R356 N357 S394D235-R239 WeakPolarHBondContact O-CG 3.42Å; D235-R239 PolarHBondContact O-N 3.5Å; I236-R239 VanDerWaalsContact O-CG 3.23Å; I236-R239 WeakPolarHBondContact O-CG 3.44Å; I236-R239 PolarHBondContact O-N 2.95Å; V237-R239 VanDerWaalsContact C-N 3.29Å; V237-R239 PolarHBondContact O-N 2.82Å; R239-G241 PolarHBondContact O-N 3.45Å; R239-R356 HydrophobicContact CG-CB 4.49Å; R239-R356 PolarHBondContact NE-O 2.97Å; R239-R356 PolarHBondContact NH2-O 2.87Å; R239-R356 WeakPolarHBondContact O-CD 3.33Å; R239-N357 PolarHBondContact NH2-O 3.34Å; R239-S394 PolarHBondContact NH2-OG 2.9Å
240E97.5Very high95.3Very high124 Ų12432.6 Ų32.658%0.57916%0.16SC*.THydrogen-bonded Turntrans57.530.1-179.6-55.7-176.1162.200113.9V237 N238V237-E240 WeakPolarHBondContact O-CA 3.43Å; V237-E240 PolarHBondContact O-N 2.86Å; N238-E240 PolarHBondContact O-N 3.16Å
241G97.8Very high94.6Very high0 Ų032.2 Ų32.20%016%0.157CC..  trans-92.6167.4177.700000113.7I236 R239 P329 R356I236-G241 WeakPolarHBondContact O-CA 3.24Å; I236-G241 PolarHBondContact O-N 3.18Å; R239-G241 PolarHBondContact O-N 3.45Å; G241-P329 VanDerWaalsContact O-CA 3.31Å; G241-P329 WeakPolarHBondContact O-CA 3.45Å; G241-P329 WeakPolarHBondContact O-CB 3.37Å; G241-R356 WeakPolarHBondContact CA-O 3.17Å
242R98.3Very high94Very high35 Ų3529.3 Ų29.313%0.13214%0.14CC..EExtended strand (participates in β ladder)trans-97134.1167.9-60.986.2175.51362.4109.8D326 G328 S330 W351 N357 G358R242-D326 IonicContact CZ-OD1 2.73Å; R242-D326 IonicContact NE-OD1 3.51Å; R242-D326 PolarHBondContact NE-OD1 3.1Å; R242-D326 IonicContact NE-OD2 2.75Å; R242-D326 PolarHBondContact NH2-O 2.91Å; R242-D326 IonicContact NH2-OD1 3.22Å; R242-D326 PolarHBondContact NH2-OD1 3.35Å; R242-G328 PolarHBondContact NH2-O 2.99Å; R242-S330 WeakPolarHBondContact CA-O 3.29Å; R242-W351 HydrophobicContact CB-CD2 3.75Å; R242-W351 HydrophobicContact CB-CE3 3.7Å; R242-W351 HydrophobicContact CB-CG 4.47Å; R242-W351 HydrophobicContact CB-CH2 3.72Å; R242-W351 HydrophobicContact CB-CZ2 3.76Å; R242-W351 HydrophobicContact CB-CZ3 3.7Å; R242-W351 HydrophobicContact CG-CD2 4.3Å; R242-W351 HydrophobicContact CG-CH2 4.22Å; R242-W351 HydrophobicContact CG-CZ2 3.82Å; R242-N357 VanDerWaalsContact CD-OD1 3.23Å; R242-N357 WeakPolarHBondContact CD-OD1 3.36Å; R242-N357 PolarHBondContact N-OD1 2.97Å; R242-N357 WeakPolarHBondContact O-CA 3.27Å; R242-N357 WeakPolarHBondContact O-CB 3.4Å; R242-G358 PolarHBondContact O-N 3.38Å
243C98.4Very high93.7Very high0 Ų028.3 Ų28.30%013%0.134CC..EExtended strand (participates in β ladder)trans-102.1115175.5-176.30000109.8I236 S330 V331 V332 G358I236-C243 HydrophobicContact CB-CB 4.31Å; I236-C243 HydrophobicContact CD1-CB 4.17Å; I236-C243 HydrophobicContact CG2-CB 3.83Å; C243-S330 PolarHBondContact N-O 2.93Å; C243-V331 HydrophobicContact CB-CB 4.49Å; C243-V331 HydrophobicContact CB-CG1 4.28Å; C243-V331 HydrophobicContact CB-CG2 4.19Å; C243-V331 WeakPolarHBondContact O-CA 3.44Å; C243-V332 PolarHBondContact O-N 3.09Å; C243-G358 WeakPolarHBondContact CA-O 3.29Å
244L98.3Very high93.4Very high0 Ų028.3 Ų28.30%013%0.134CC..EExtended strand (participates in β ladder)trans-93.7129.8172.1-17761.7000110.3A334 M339 L347 F348 W351 G358 V359 I360L244-A334 HydrophobicContact CD1-CB 4.37Å; L244-M339 HydrophobicContact CD2-CE 4.37Å; L244-L347 HydrophobicContact CD1-CB 3.94Å; L244-L347 HydrophobicContact CD1-CD1 3.93Å; L244-L347 HydrophobicContact CD2-CB 4.37Å; L244-F348 HydrophobicContact CD2-CB 3.7Å; L244-F348 HydrophobicContact CD2-CD2 4.37Å; L244-W351 HydrophobicContact CB-CE3 3.84Å; L244-W351 HydrophobicContact CB-CZ3 3.73Å; L244-W351 HydrophobicContact CD1-CZ3 4.15Å; L244-W351 HydrophobicContact CG-CZ3 4.48Å; L244-G358 PolarHBondContact N-O 3.44Å; L244-V359 HydrophobicContact CB-CB 4.33Å; L244-V359 HydrophobicContact CB-CG2 4.19Å; L244-V359 HydrophobicContact CD2-CG2 4.19Å; L244-V359 HydrophobicContact CG-CG2 4.26Å; L244-V359 CarbonylContact O-C 3.57Å; L244-V359 VanDerWaalsContact O-CA 3.29Å; L244-V359 WeakPolarHBondContact O-CA 3.49Å; L244-I360 PolarHBondContact O-N 3.41Å
245I97.9Very high93.2Very high0 Ų027.2 Ų27.20%013%0.129CC..EExtended strand (participates in β ladder)trans-123.191.3173.7-55.2165.4000107.3F229 I233 V247 L256 L260 V331 V332 M333 A334 I360F229-I245 HydrophobicContact CE2-CD1 4.29Å; F229-I245 HydrophobicContact CZ-CD1 3.95Å; I233-I245 HydrophobicContact CD1-CD1 3.75Å; I245-V247 PolarHBondContact O-N 2.86Å; I245-L256 HydrophobicContact CG2-CD1 3.98Å; I245-L260 HydrophobicContact CD1-CD1 4.18Å; I245-V331 HydrophobicContact CD1-CG1 3.68Å; I245-V332 PolarHBondContact N-O 3.09Å; I245-M333 HydrophobicContact CB-CG 3.97Å; I245-M333 HydrophobicContact CD1-CG 4.04Å; I245-M333 HydrophobicContact CG2-CG 4.33Å; I245-M333 WeakPolarHBondContact O-CA 3.3Å; I245-A334 PolarHBondContact O-N 3.26Å; I245-I360 HydrophobicContact CG1-CB 4.43Å
246P95.2Very high93Very high3 Ų322.4 Ų22.42%0.01910%0.103CC..EExtended strand (participates in β ladder)trans-71.4121.1179.130.7-33.9000109.3A334 M339 V359 I360 I361P246-A334 WeakPolarHBondContact CA-O 3.37Å; P246-M339 HydrophobicContact CB-CG 3.55Å; P246-M339 HydrophobicContact CB-SD 3.94Å; P246-M339 HydrophobicContact CG-CG 4.01Å; P246-M339 HydrophobicContact CG-SD 3.69Å; P246-V359 HydrophobicContact CG-CG2 4.1Å; P246-I360 WeakPolarHBondContact CD-O 3.3Å; P246-I361 HydrophobicContact CG-CD1 3.33Å
247V91.3Very high92.9Very high15 Ų1522.2 Ų22.29%0.09110%0.102CC..  trans-154.5148.6-17964.50000110.3I245 A253 M333 A334 S335I245-V247 PolarHBondContact O-N 2.86Å; V247-A253 HydrophobicContact CB-CB 4.48Å; V247-A253 HydrophobicContact CG1-CB 3.83Å; V247-A253 HydrophobicContact CG2-CB 3.81Å; V247-M333 HydrophobicContact CG1-CB 4.27Å; V247-M333 HydrophobicContact CG1-CE 3.73Å; V247-A334 PolarHBondContact N-O 3.37Å; V247-A334 CarbonylContact O-C 3.59Å; V247-A334 VanDerWaalsContact O-O 3.06Å; V247-S335 WeakPolarHBondContact O-CA 3.47Å; V247-S335 PolarHBondContact O-N 3.24Å
248F83.1Confident92.7Very high54 Ų5422.8 Ų22.824%0.23711%0.105CC..  trans-64.2149.8170.9-70.5-72.5000111.3L81 L250 A253 P336L81-F248 HydrophobicContact CD1-CE1 3.91Å; L81-F248 HydrophobicContact CD1-CZ 4.09Å; F248-L250 PolarHBondContact O-N 3.22Å; F248-L250 VanDerWaalsContact O-N 3.08Å; F248-A253 VanDerWaalsContact O-CB 3.25Å; F248-A253 WeakPolarHBondContact O-CB 3.1Å; F248-P336 HydrophobicContact CD1-CB 4.22Å; F248-P336 HydrophobicContact CE1-CB 3.68Å; F248-P336 HydrophobicContact CZ-CB 4.27Å
249A80.1Confident92.7Very high5 Ų518.1 Ų18.14%0.0418%0.08CC..SBendtrans-60.7-21.4-178.400000113.8Q254 Y277 S279A249-Q254 PolarHBondContact O-NE2 3.33Å; A249-Y277 VanDerWaalsContact C-OH 3.25Å; A249-Y277 WeakPolarHBondContact CA-OH 3.46Å; A249-Y277 VanDerWaalsContact CB-OH 3.28Å; A249-Y277 WeakPolarHBondContact CB-OH 3.41Å; A249-Y277 PolarHBondContact O-OH 3.46Å; A249-S279 WeakPolarHBondContact CB-OG 3.32Å
250L81.4Confident92.7Very high2 Ų213.5 Ų13.51%0.016%0.062CC..SBendtrans-133.5136.7-176.5-73.4152.5000108.8F79 I109 W112 L113 F248 C285 Y289F79-L250 HydrophobicContact CE2-CB 4.18Å; I109-L250 HydrophobicContact CG2-CB 3.93Å; I109-L250 HydrophobicContact CG2-CD1 3.68Å; I109-L250 HydrophobicContact CG2-CD2 4Å; I109-L250 HydrophobicContact CG2-CG 4.06Å; W112-L250 HydrophobicContact CB-CD1 4.31Å; L113-L250 HydrophobicContact CB-CD1 4.07Å; L113-L250 HydrophobicContact CD1-CB 4.22Å; F248-L250 PolarHBondContact O-N 3.22Å; F248-L250 VanDerWaalsContact O-N 3.08Å; L250-C285 HydrophobicContact CD1-CB 4.3Å; L250-C285 WeakPolarHBondContact CD1-SG 3.36Å; L250-C285 HydrophobicContact CD2-CB 3.44Å; L250-C285 VanDerWaalsContact CD2-CB 3.44Å; L250-C285 HydrophobicContact CG-CB 3.82Å; L250-C285 WeakPolarHBondContact CG-SG 3.36Å; L250-Y289 HydrophobicContact CD2-CD2 3.85Å; L250-Y289 HydrophobicContact CD2-CE2 3.52Å
251G83.1Confident92.6Very high0 Ų08.4 Ų8.40%04%0.039CC..SBendtrans122.1-115.2-179.800000111.3A253 Q254 Y289G251-A253 VanDerWaalsContact C-N 3.31Å; G251-A253 PolarHBondContact O-N 3.17Å; G251-Q254 PolarHBondContact O-OE1 3.25Å; G251-Q254 VanDerWaalsContact O-OE1 3.1Å; G251-Y289 PolarHBondContact N-OH 2.68Å
252R87.1Confident92.5Very high21 Ų2112.7 Ų12.78%0.0796%0.059CC..THydrogen-bonded Turntrans-74.6-18.7-177.9-59.2-63.579.1-159-10.5114H165 D192 H194 Q254 E255 L256 F400H165-R252 PolarHBondContact O-NE 3.04Å; H165-R252 PolarHBondContact O-NH1 3.01Å; H165-R252 PolarHBondContact O-NH2 2.84Å; D192-R252 IonicContact OD2-CZ 2.74Å; D192-R252 IonicContact OD2-NH1 2.69Å; D192-R252 PolarHBondContact OD2-NH1 3.4Å; D192-R252 IonicContact OD2-NH2 3.83Å; H194-R252 PolarHBondContact CE1-NH2 2.83Å; R252-Q254 PolarHBondContact O-N 3.48Å; R252-E255 WeakPolarHBondContact O-CB 3.25Å; R252-E255 PolarHBondContact O-N 2.86Å; R252-E255 VanDerWaalsContact O-N 3.11Å; R252-L256 PolarHBondContact O-N 3.18Å; R252-F400 WeakPolarHBondContact CD-O 3.22Å; R252-F400 VanDerWaalsContact CG-O 3.3Å; R252-F400 WeakPolarHBondContact CG-O 3.49Å
253A90.8Very high92.5Very high0 Ų012.6 Ų12.60%06%0.059CC..Hα-helixtrans-54.2-40.117500000112.1V247 F248 G251 E255 L256 L257 M333V247-A253 HydrophobicContact CB-CB 4.48Å; V247-A253 HydrophobicContact CG1-CB 3.83Å; V247-A253 HydrophobicContact CG2-CB 3.81Å; F248-A253 VanDerWaalsContact O-CB 3.25Å; F248-A253 WeakPolarHBondContact O-CB 3.1Å; G251-A253 VanDerWaalsContact C-N 3.31Å; G251-A253 PolarHBondContact O-N 3.17Å; A253-E255 VanDerWaalsContact C-N 3.31Å; A253-E255 PolarHBondContact O-N 3.44Å; A253-L256 PolarHBondContact O-N 3.34Å; A253-L257 WeakPolarHBondContact O-CB 3.29Å; A253-L257 WeakPolarHBondContact O-CG 3.33Å; A253-L257 PolarHBondContact O-N 2.89Å; A253-M333 HydrophobicContact CB-CE 4.04Å
254Q91.9Very high92.5Very high0 Ų012.8 Ų12.80%06%0.06CC..Hα-helixtrans-64.7-34.6-179.1-74.572.642.600112.9A249 G251 R252 L258 M286 Y289 F310A249-Q254 PolarHBondContact O-NE2 3.33Å; G251-Q254 PolarHBondContact O-OE1 3.25Å; G251-Q254 VanDerWaalsContact O-OE1 3.1Å; R252-Q254 PolarHBondContact O-N 3.48Å; Q254-L258 VanDerWaalsContact O-CG 3.3Å; Q254-L258 WeakPolarHBondContact O-CG 3.39Å; Q254-L258 PolarHBondContact O-N 2.64Å; Q254-M286 HydrophobicContact CG-CE 3.63Å; Q254-Y289 HydrophobicContact CB-CD1 4.17Å; Q254-Y289 HydrophobicContact CB-CE1 3.77Å; Q254-Y289 HydrophobicContact CG-CD1 3.73Å; Q254-Y289 HydrophobicContact CG-CD2 4.25Å; Q254-Y289 HydrophobicContact CG-CE1 3.57Å; Q254-Y289 HydrophobicContact CG-CE2 4.11Å; Q254-Y289 HydrophobicContact CG-CG 4.08Å; Q254-Y289 PolarHBondContact OE1-OH 3.26Å; Q254-F310 HydrophobicContact CB-CE1 4.42Å
255E93.8Very high92.4Very high6 Ų617.4 Ų17.43%0.0288%0.081CC..Hα-helixtrans-66.6-46.7173.9-17265.5-175.800111.1D192 R193 H194 R252 A253 L257 L258 I259D192-E255 WeakPolarHBondContact CB-OE1 3.07Å; R193-E255 VanDerWaalsContact CB-OE1 3.29Å; R193-E255 WeakPolarHBondContact CB-OE1 3.42Å; R193-E255 WeakPolarHBondContact CB-OE2 3.41Å; R193-E255 VanDerWaalsContact CG-OE1 3.25Å; R193-E255 WeakPolarHBondContact CG-OE1 3.33Å; R193-E255 PolarHBondContact N-OE1 3.08Å; R193-E255 PolarHBondContact N-OE2 3.33Å; H194-E255 IonicContact CE1-OE2 3.36Å; H194-E255 PolarHBondContact CE1-OE2 3.39Å; H194-E255 IonicContact CG-OE2 3.31Å; H194-E255 IonicContact ND1-OE2 3.12Å; H194-E255 PolarHBondContact ND1-OE2 2.76Å; R252-E255 WeakPolarHBondContact O-CB 3.25Å; R252-E255 PolarHBondContact O-N 2.86Å; R252-E255 VanDerWaalsContact O-N 3.11Å; A253-E255 VanDerWaalsContact C-N 3.31Å; A253-E255 PolarHBondContact O-N 3.44Å; E255-L257 VanDerWaalsContact C-N 3.33Å; E255-L257 PolarHBondContact O-N 3.06Å; E255-L258 WeakPolarHBondContact O-CB 3.24Å; E255-L258 PolarHBondContact O-N 3.25Å; E255-I259 HydrophobicContact CG-CD1 4.12Å; E255-I259 WeakPolarHBondContact O-CG1 3.47Å; E255-I259 PolarHBondContact O-N 2.94Å
256L95.8Very high92.4Very high0 Ų022.1 Ų22.10%011%0.107CC..Hα-helixtrans-63-39.1179-59.5179.4000111.9F229 I245 R252 A253 L258 I259 L260 M333 A362 F400F229-L256 HydrophobicContact CE1-CD2 4.1Å; F229-L256 HydrophobicContact CE2-CD2 4.09Å; F229-L256 HydrophobicContact CZ-CB 4.3Å; F229-L256 HydrophobicContact CZ-CD1 4.48Å; F229-L256 HydrophobicContact CZ-CD2 3.79Å; F229-L256 HydrophobicContact CZ-CG 4.4Å; I245-L256 HydrophobicContact CG2-CD1 3.98Å; R252-L256 PolarHBondContact O-N 3.18Å; A253-L256 PolarHBondContact O-N 3.34Å; L256-L258 PolarHBondContact O-N 2.9Å; L256-I259 HydrophobicContact CD2-CD1 4.39Å; L256-I259 PolarHBondContact O-N 2.62Å; L256-L260 WeakPolarHBondContact O-CB 3.31Å; L256-L260 VanDerWaalsContact O-CG 3.29Å; L256-L260 WeakPolarHBondContact O-CG 3.48Å; L256-L260 PolarHBondContact O-N 2.77Å; L256-M333 HydrophobicContact CB-CE 3.66Å; L256-M333 HydrophobicContact CB-SD 4.46Å; L256-M333 HydrophobicContact CD1-CE 4.13Å; L256-A362 HydrophobicContact CD1-CB 3.76Å; L256-F400 HydrophobicContact CD2-CB 4.19Å; L256-F400 HydrophobicContact CD2-CD1 4Å; L256-F400 HydrophobicContact CD2-CD2 3.64Å; L256-F400 HydrophobicContact CD2-CE1 4.24Å; L256-F400 HydrophobicContact CD2-CE2 3.91Å; L256-F400 HydrophobicContact CD2-CG 3.68Å; L256-F400 HydrophobicContact CD2-CZ 4.2Å
257L95.4Very high92.5Very high0 Ų024.2 Ų24.20%012%0.116CC..Hα-helixtrans-61.8-41.8175.2-69.1167.7000111.7A253 E255 L260 D261 Y277 F312 I315 M333A253-L257 WeakPolarHBondContact O-CB 3.29Å; A253-L257 WeakPolarHBondContact O-CG 3.33Å; A253-L257 PolarHBondContact O-N 2.89Å; E255-L257 VanDerWaalsContact C-N 3.33Å; E255-L257 PolarHBondContact O-N 3.06Å; L257-L260 PolarHBondContact O-N 3.04Å; L257-D261 WeakPolarHBondContact O-CB 3.34Å; L257-D261 PolarHBondContact O-N 2.85Å; L257-Y277 HydrophobicContact CD1-CD1 4.16Å; L257-Y277 HydrophobicContact CD1-CD2 4.47Å; L257-Y277 HydrophobicContact CD1-CE1 4.36Å; L257-Y277 HydrophobicContact CD1-CG 4.24Å; L257-Y277 HydrophobicContact CD2-CG 4.22Å; L257-F312 HydrophobicContact CB-CE1 3.83Å; L257-F312 HydrophobicContact CB-CE2 3.91Å; L257-F312 HydrophobicContact CB-CZ 3.45Å; L257-F312 VanDerWaalsContact CB-CZ 3.45Å; L257-F312 HydrophobicContact CD1-CE2 3.87Å; L257-F312 HydrophobicContact CD1-CZ 4.12Å; L257-F312 HydrophobicContact CG-CE2 4.38Å; L257-F312 HydrophobicContact CG-CZ 4.35Å; L257-I315 HydrophobicContact CB-CD1 4.05Å; L257-I315 HydrophobicContact CD2-CD1 3.58Å; L257-I315 HydrophobicContact CD2-CG2 3.88Å; L257-I315 HydrophobicContact CG-CD1 4.44Å; L257-I315 WeakPolarHBondContact O-CD1 3.36Å; L257-M333 HydrophobicContact CD2-CE 4.17Å; L257-M333 HydrophobicContact CD2-SD 3.45Å; L257-M333 WeakPolarHBondContact CD2-SD 3.18Å; L257-M333 HydrophobicContact CG-CE 3.99Å; L257-M333 HydrophobicContact CG-SD 3.9Å
258L95.2Very high92.8Very high15 Ų1528 Ų288%0.07914%0.141CC..Hα-helixtrans-64.3-41176-71.4168.1000112.1R193 H194 Q254 E255 L256 E262 P309 F310 F312R193-L258 HydrophobicContact CB-CD1 4.16Å; H194-L258 HydrophobicContact CB-CD1 3.91Å; Q254-L258 VanDerWaalsContact O-CG 3.3Å; Q254-L258 WeakPolarHBondContact O-CG 3.39Å; Q254-L258 PolarHBondContact O-N 2.64Å; E255-L258 WeakPolarHBondContact O-CB 3.24Å; E255-L258 PolarHBondContact O-N 3.25Å; L256-L258 PolarHBondContact O-N 2.9Å; L258-E262 WeakPolarHBondContact O-CB 3.29Å; L258-E262 PolarHBondContact O-N 2.95Å; L258-P309 HydrophobicContact CD2-CB 3.78Å; L258-P309 VanDerWaalsContact CD2-O 3.29Å; L258-P309 WeakPolarHBondContact CD2-O 3.36Å; L258-F310 HydrophobicContact CD1-CE1 4Å; L258-F310 HydrophobicContact CD1-CZ 4.38Å; L258-F310 HydrophobicContact CD2-CE1 4.46Å; L258-F310 HydrophobicContact CG-CE1 4.41Å; L258-F312 HydrophobicContact CD2-CE1 4.02Å; L258-F312 HydrophobicContact CG-CE1 4.34Å
259I96.8Very high93.4Very high3 Ų330.7 Ų30.72%0.01515%0.154CC..Hα-helixtrans-63.1-46.8176.4-66160.7000110.2E226 F229 C230 E255 L256 Y263 F400E226-I259 HydrophobicContact CG-CD1 3.86Å; E226-I259 HydrophobicContact CG-CG1 4.17Å; F229-I259 HydrophobicContact CD1-CG2 3.96Å; F229-I259 HydrophobicContact CE1-CG2 4.26Å; C230-I259 VanDerWaalsContact SG-CG2 3.51Å; E255-I259 HydrophobicContact CG-CD1 4.12Å; E255-I259 WeakPolarHBondContact O-CG1 3.47Å; E255-I259 PolarHBondContact O-N 2.94Å; L256-I259 HydrophobicContact CD2-CD1 4.39Å; L256-I259 PolarHBondContact O-N 2.62Å; I259-Y263 WeakPolarHBondContact O-CB 3.33Å; I259-Y263 PolarHBondContact O-N 3.47Å; I259-F400 HydrophobicContact CD1-CD1 4.34Å; I259-F400 HydrophobicContact CD1-CE1 3.6Å; I259-F400 HydrophobicContact CD1-CZ 4.09Å
260L97.4Very high94.2Very high0 Ų030.5 Ų30.50%015%0.152CC..Hα-helixtrans-67.9-44.2-177.6-70.7174.5000113.1F229 I233 I245 L256 L257 E262 Y263 W264 I275 I315 V331 M333F229-L260 HydrophobicContact CE1-CD1 4.49Å; F229-L260 HydrophobicContact CE1-CD2 3.85Å; F229-L260 HydrophobicContact CE1-CG 3.99Å; F229-L260 HydrophobicContact CZ-CD2 4.43Å; F229-L260 HydrophobicContact CZ-CG 4.48Å; I233-L260 HydrophobicContact CD1-CD2 3.54Å; I245-L260 HydrophobicContact CD1-CD1 4.18Å; L256-L260 WeakPolarHBondContact O-CB 3.31Å; L256-L260 VanDerWaalsContact O-CG 3.29Å; L256-L260 WeakPolarHBondContact O-CG 3.48Å; L256-L260 PolarHBondContact O-N 2.77Å; L257-L260 PolarHBondContact O-N 3.04Å; L260-E262 VanDerWaalsContact C-N 3.32Å; L260-E262 PolarHBondContact O-N 2.98Å; L260-Y263 PolarHBondContact O-N 2.87Å; L260-W264 HydrophobicContact CD2-CE3 4.4Å; L260-W264 HydrophobicContact CD2-CZ3 3.83Å; L260-W264 WeakPolarHBondContact O-CB 3.27Å; L260-W264 PolarHBondContact O-N 3.01Å; L260-I275 HydrophobicContact CB-CD1 4.04Å; L260-I275 HydrophobicContact CD1-CG2 4.28Å; L260-I315 HydrophobicContact CB-CD1 4.38Å; L260-V331 HydrophobicContact CD1-CG1 4.5Å; L260-M333 HydrophobicContact CD1-SD 3.85Å
261D96.4Very high94.9Very high17 Ų1734.7 Ų34.79%0.09117%0.172CC..Hα-helixtrans-64.6-39179.6-163.361.1000111.1L257 Q265 F312 K313 H314 I315L257-D261 WeakPolarHBondContact O-CB 3.34Å; L257-D261 PolarHBondContact O-N 2.85Å; D261-Q265 WeakPolarHBondContact O-CB 3.39Å; D261-Q265 PolarHBondContact O-N 3.45Å; D261-F312 HydrophobicContact CB-CD1 3.77Å; D261-K313 PolarHBondContact OD1-N 3.09Å; D261-K313 PolarHBondContact OD2-N 2.83Å; D261-H314 IonicContact OD1-CD2 2.77Å; D261-H314 IonicContact OD1-CG 3.05Å; D261-H314 PolarHBondContact OD1-N 2.83Å; D261-I315 HydrophobicContact CB-CD1 4.02Å; D261-I315 HydrophobicContact CB-CG1 4.41Å
262E95.7Very high95.5Very high91 Ų9142.3 Ų42.343%0.42521%0.213SC..Hα-helixtrans-65.8-43.3172.9-176.3177.3110.200112R193 L258 L260 Q265 N266R193-E262 IonicContact CZ-OE1 2.75Å; R193-E262 IonicContact CZ-OE2 3.08Å; R193-E262 IonicContact NH1-OE1 2.68Å; R193-E262 PolarHBondContact NH1-OE1 2.84Å; R193-E262 IonicContact NH1-OE2 3.72Å; R193-E262 PolarHBondContact NH1-OE2 2.81Å; R193-E262 IonicContact NH2-OE1 3.67Å; R193-E262 PolarHBondContact NH2-OE1 3Å; R193-E262 IonicContact NH2-OE2 2.68Å; L258-E262 WeakPolarHBondContact O-CB 3.29Å; L258-E262 PolarHBondContact O-N 2.95Å; L260-E262 VanDerWaalsContact C-N 3.32Å; L260-E262 PolarHBondContact O-N 2.98Å; E262-Q265 PolarHBondContact O-N 2.93Å; E262-N266 PolarHBondContact O-N 3.25Å; E262-N266 PolarHBondContact O-ND2 3.12Å; E262-N266 VanDerWaalsContact O-ND2 3.08Å
263Y97.9Very high96Very high33 Ų3342.5 Ų42.513%0.12922%0.215CC..Hα-helixtrans-63-46.2178.7-168.9-98000111.2C230 H234 I259 L260 Q265 N266 H267 L270C230-Y263 HydrophobicContact CB-CD1 4.24Å; C230-Y263 HydrophobicContact CB-CD2 3.44Å; C230-Y263 VanDerWaalsContact CB-CD2 3.44Å; C230-Y263 HydrophobicContact CB-CE1 4.21Å; C230-Y263 HydrophobicContact CB-CE2 3.41Å; C230-Y263 VanDerWaalsContact CB-CE2 3.41Å; C230-Y263 HydrophobicContact CB-CG 3.87Å; C230-Y263 VanDerWaalsContact SG-CD2 3.53Å; H234-Y263 HydrophobicContact CB-CE1 4.4Å; H234-Y263 AromaticContact ND1-CE1 3.97Å; H234-Y263 AromaticContact ND1-CZ 3.89Å; H234-Y263 PolarHBondContact ND1-OH 2.81Å; I259-Y263 WeakPolarHBondContact O-CB 3.33Å; I259-Y263 PolarHBondContact O-N 3.47Å; L260-Y263 PolarHBondContact O-N 2.87Å; Y263-Q265 PolarHBondContact O-N 3.49Å; Y263-N266 PolarHBondContact O-N 3.26Å; Y263-N266 VanDerWaalsContact O-N 3.14Å; Y263-H267 AromaticContact CD1-ND1 3.83Å; Y263-H267 AromaticContact CD2-CE1 3.59Å; Y263-H267 AromaticContact CD2-ND1 3.83Å; Y263-H267 AromaticContact CE1-CE1 3.97Å; Y263-H267 AromaticContact CE1-ND1 3.77Å; Y263-H267 AromaticContact CE2-CE1 3.22Å; Y263-H267 WeakPolarHBondContact CE2-CE1 3.23Å; Y263-H267 AromaticContact CE2-ND1 3.77Å; Y263-H267 AromaticContact CE2-NE2 3.86Å; Y263-H267 AromaticContact CG-ND1 3.88Å; Y263-H267 AromaticContact CZ-CE1 3.44Å; Y263-H267 VanDerWaalsContact CZ-CE1 3.44Å; Y263-H267 AromaticContact CZ-ND1 3.74Å; Y263-H267 AromaticContact CZ-NE2 3.77Å; Y263-H267 PolarHBondContact O-N 2.92Å; Y263-H267 PolarHBondContact O-ND1 2.82Å; Y263-L270 HydrophobicContact CD1-CD1 4.09Å; Y263-L270 HydrophobicContact CE1-CD1 3.72Å
264W97.6Very high96.2Very high3 Ų344.4 Ų44.41%0.01123%0.227CC..Hα-helixtrans-62.5-41.5176.7-104-113.1000112.2I233 L260 N266 H267 L270 H271 I273 I275 H314 V331I233-W264 HydrophobicContact CG2-CH2 3.79Å; I233-W264 HydrophobicContact CG2-CZ3 4.19Å; L260-W264 HydrophobicContact CD2-CE3 4.4Å; L260-W264 HydrophobicContact CD2-CZ3 3.83Å; L260-W264 WeakPolarHBondContact O-CB 3.27Å; L260-W264 PolarHBondContact O-N 3.01Å; W264-N266 PolarHBondContact O-N 3.07Å; W264-H267 CarbonylContact O-C 3.55Å; W264-H267 PolarHBondContact O-N 2.98Å; W264-H267 VanDerWaalsContact O-N 3.1Å; W264-L270 HydrophobicContact CD2-CB 4.31Å; W264-L270 HydrophobicContact CD2-CD1 4.4Å; W264-L270 HydrophobicContact CE3-CD1 4.4Å; W264-L270 HydrophobicContact CG-CB 4.46Å; W264-L270 HydrophobicContact CH2-CD1 4.37Å; W264-L270 HydrophobicContact CZ2-CB 4.31Å; W264-L270 HydrophobicContact CZ2-CD1 4.38Å; W264-L270 HydrophobicContact CZ3-CD1 4.39Å; W264-L270 PolarHBondContact NE1-O 2.8Å; W264-H271 PolarHBondContact O-CE1 2.91Å; W264-I273 HydrophobicContact CZ2-CG2 4.5Å; W264-I273 PolarHBondContact NE1-O 3.27Å; W264-I275 HydrophobicContact CB-CD1 4.43Å; W264-I275 HydrophobicContact CD2-CD1 3.29Å; W264-I275 HydrophobicContact CD2-CG1 4.04Å; W264-I275 VanDerWaalsContact CE2-CD1 3.49Å; W264-I275 HydrophobicContact CE3-CD1 3.52Å; W264-I275 HydrophobicContact CE3-CG1 4.4Å; W264-I275 HydrophobicContact CG-CD1 3.71Å; W264-I275 HydrophobicContact CH2-CD1 4.12Å; W264-I275 HydrophobicContact CH2-CG1 4.14Å; W264-I275 HydrophobicContact CZ2-CD1 3.91Å; W264-I275 HydrophobicContact CZ2-CG1 3.74Å; W264-I275 HydrophobicContact CZ3-CD1 3.94Å; W264-I275 HydrophobicContact CZ3-CG1 4.45Å; W264-H314 HydrophobicContact CB-CB 3.73Å; W264-H314 HydrophobicContact CG-CB 4.09Å; W264-V331 HydrophobicContact CH2-CG2 3.79Å; W264-V331 HydrophobicContact CZ2-CG2 4.08Å
265Q96.2Very high96.5Very high97 Ų9744.4 Ų44.445%0.45323%0.227SC..Hα-helixtrans-58.1-31.8176.9-168.4-176.2-72.900111.9D261 E262 Y263D261-Q265 WeakPolarHBondContact O-CB 3.39Å; D261-Q265 PolarHBondContact O-N 3.45Å; E262-Q265 PolarHBondContact O-N 2.93Å; Y263-Q265 PolarHBondContact O-N 3.49Å
266N97.5Very high96.5Very high100 Ų10046.6 Ų46.654%0.53524%0.236SC..Hα-helixtrans-87.8-9-179-66.6-32.4000114.3E262 Y263 W264E262-N266 PolarHBondContact O-N 3.25Å; E262-N266 PolarHBondContact O-ND2 3.12Å; E262-N266 VanDerWaalsContact O-ND2 3.08Å; Y263-N266 PolarHBondContact O-N 3.26Å; Y263-N266 VanDerWaalsContact O-N 3.14Å; W264-N266 PolarHBondContact O-N 3.07Å
267H97.9Very high96.4Very high47 Ų4746.8 Ų46.822%0.21824%0.237CC..  trans-126.784.9-175.5-6485.4000111Y263 W264 E269 L270 H271Y263-H267 AromaticContact CD1-ND1 3.83Å; Y263-H267 AromaticContact CD2-CE1 3.59Å; Y263-H267 AromaticContact CD2-ND1 3.83Å; Y263-H267 AromaticContact CE1-CE1 3.97Å; Y263-H267 AromaticContact CE1-ND1 3.77Å; Y263-H267 AromaticContact CE2-CE1 3.22Å; Y263-H267 WeakPolarHBondContact CE2-CE1 3.23Å; Y263-H267 AromaticContact CE2-ND1 3.77Å; Y263-H267 AromaticContact CE2-NE2 3.86Å; Y263-H267 AromaticContact CG-ND1 3.88Å; Y263-H267 AromaticContact CZ-CE1 3.44Å; Y263-H267 VanDerWaalsContact CZ-CE1 3.44Å; Y263-H267 AromaticContact CZ-ND1 3.74Å; Y263-H267 AromaticContact CZ-NE2 3.77Å; Y263-H267 PolarHBondContact O-N 2.92Å; Y263-H267 PolarHBondContact O-ND1 2.82Å; W264-H267 CarbonylContact O-C 3.55Å; W264-H267 PolarHBondContact O-N 2.98Å; W264-H267 VanDerWaalsContact O-N 3.1Å; H267-E269 VanDerWaalsContact C-OE2 3.24Å; H267-E269 WeakPolarHBondContact CA-OE2 3.48Å; H267-E269 IonicContact CD2-OE1 3.72Å; H267-E269 PolarHBondContact CD2-OE1 2.84Å; H267-E269 VanDerWaalsContact CD2-OE1 3.3Å; H267-E269 IonicContact CG-OE1 3.32Å; H267-E269 PolarHBondContact O-N 3.2Å; H267-E269 VanDerWaalsContact O-N 3.14Å; H267-L270 HydrophobicContact CB-CD1 3.9Å; H267-L270 HydrophobicContact CB-CG 4.12Å; H267-L270 PolarHBondContact O-N 3.17Å; H267-H271 PolarHBondContact O-ND1 2.78Å; H267-H271 VanDerWaalsContact O-ND1 3.12Å
268P97.3Very high96.1Very high93 Ų9346.8 Ų46.860%0.60424%0.237SC*.G310 helixtrans-50.8-32.6178.8-3038.2000115.2L270 H271P268-L270 PolarHBondContact O-N 2.84Å; P268-H271 VanDerWaalsContact CA-CE1 3.45Å; P268-H271 WeakPolarHBondContact CA-CE1 3.45Å; P268-H271 VanDerWaalsContact CA-ND1 3.3Å; P268-H271 WeakPolarHBondContact CA-ND1 3.3Å; P268-H271 WeakPolarHBondContact O-CB 3.47Å; P268-H271 PolarHBondContact O-N 3.02Å; P268-H271 PolarHBondContact O-ND1 2.98Å
269E96.9Very high95.4Very high111 Ų11146.4 Ų46.452%0.51924%0.235SC..G310 helixtrans-65.5-19.8179.369.4-81.4-165.400114.1H234 H267H234-E269 IonicContact CE1-OE1 3.87Å; H267-E269 VanDerWaalsContact C-OE2 3.24Å; H267-E269 WeakPolarHBondContact CA-OE2 3.48Å; H267-E269 IonicContact CD2-OE1 3.72Å; H267-E269 PolarHBondContact CD2-OE1 2.84Å; H267-E269 VanDerWaalsContact CD2-OE1 3.3Å; H267-E269 IonicContact CG-OE1 3.32Å; H267-E269 PolarHBondContact O-N 3.2Å; H267-E269 VanDerWaalsContact O-N 3.14Å
270L97.3Very high94.4Very high1 Ų149.8 Ų49.81%0.00526%0.259CS..G310 helixtrans-93.5-2.4178.8-60.4179.1000113.3V237 Y263 W264 H267 P268 D272 I273V237-L270 HydrophobicContact CG2-CD2 4Å; Y263-L270 HydrophobicContact CD1-CD1 4.09Å; Y263-L270 HydrophobicContact CE1-CD1 3.72Å; W264-L270 HydrophobicContact CD2-CB 4.31Å; W264-L270 HydrophobicContact CD2-CD1 4.4Å; W264-L270 HydrophobicContact CE3-CD1 4.4Å; W264-L270 HydrophobicContact CG-CB 4.46Å; W264-L270 HydrophobicContact CH2-CD1 4.37Å; W264-L270 HydrophobicContact CZ2-CB 4.31Å; W264-L270 HydrophobicContact CZ2-CD1 4.38Å; W264-L270 HydrophobicContact CZ3-CD1 4.39Å; W264-L270 PolarHBondContact NE1-O 2.8Å; H267-L270 HydrophobicContact CB-CD1 3.9Å; H267-L270 HydrophobicContact CB-CG 4.12Å; H267-L270 PolarHBondContact O-N 3.17Å; P268-L270 PolarHBondContact O-N 2.84Å; L270-D272 PolarHBondContact O-N 2.88Å; L270-I273 HydrophobicContact CD2-CD1 3.97Å; L270-I273 WeakPolarHBondContact O-CB 3.42Å; L270-I273 PolarHBondContact O-N 2.93Å
271H96.1Very high93.4Very high90 Ų9050 Ų5042%0.41726%0.26SS..THydrogen-bonded Turntrans-64.6-24-172.4-76.940.1000114.2W264 H267 P268 I273 H314W264-H271 PolarHBondContact O-CE1 2.91Å; H267-H271 PolarHBondContact O-ND1 2.78Å; H267-H271 VanDerWaalsContact O-ND1 3.12Å; P268-H271 VanDerWaalsContact CA-CE1 3.45Å; P268-H271 WeakPolarHBondContact CA-CE1 3.45Å; P268-H271 VanDerWaalsContact CA-ND1 3.3Å; P268-H271 WeakPolarHBondContact CA-ND1 3.3Å; P268-H271 WeakPolarHBondContact O-CB 3.47Å; P268-H271 PolarHBondContact O-N 3.02Å; P268-H271 PolarHBondContact O-ND1 2.98Å; H271-I273 VanDerWaalsContact C-N 3.29Å; H271-H314 AromaticContact CD2-CE1 3.86Å; H271-H314 AromaticContact CE1-CE1 3.87Å; H271-H314 AromaticContact NE2-CE1 3.48Å; H271-H314 PolarHBondContact NE2-CE1 3.27Å
272D95.1Very high92.4Very high161 Ų16149.3 Ų49.386%0.86126%0.257SS*.THydrogen-bonded Turntrans-81.4-10.9175.9-64.5-30.3000112.5L270L270-D272 PolarHBondContact O-N 2.88Å
273I97Very high91.6Very high24 Ų2453.1 Ų53.112%0.12327%0.272CS..SBendtrans-97.5114.8-177.9-53-175.3000108.9V237 W264 L270 H271 P329V237-I273 HydrophobicContact CB-CD1 3.87Å; V237-I273 HydrophobicContact CB-CG2 4.26Å; V237-I273 HydrophobicContact CG1-CG2 4.07Å; V237-I273 HydrophobicContact CG2-CD1 3.9Å; W264-I273 HydrophobicContact CZ2-CG2 4.5Å; W264-I273 PolarHBondContact NE1-O 3.27Å; L270-I273 HydrophobicContact CD2-CD1 3.97Å; L270-I273 WeakPolarHBondContact O-CB 3.42Å; L270-I273 PolarHBondContact O-N 2.93Å; H271-I273 VanDerWaalsContact C-N 3.29Å; I273-P329 HydrophobicContact CD1-CB 4.47Å; I273-P329 HydrophobicContact CD1-CG 4.03Å; I273-P329 HydrophobicContact CG1-CG 4.18Å; I273-P329 HydrophobicContact CG2-CB 4.25Å; I273-P329 HydrophobicContact CG2-CG 4.36Å
274P95.9Very high91Very high40 Ų4056.5 Ų56.526%0.2629%0.287SS..  trans-77.3142-174.631-35.9000112.5Y276 V331P274-Y276 HydrophobicContact CB-CD2 4.25Å; P274-Y276 HydrophobicContact CB-CE1 4.37Å; P274-Y276 HydrophobicContact CB-CE2 3.5Å; P274-Y276 HydrophobicContact CG-CD2 4.38Å; P274-Y276 HydrophobicContact CG-CE2 3.44Å; P274-Y276 VanDerWaalsContact CG-CE2 3.44Å; P274-V331 PolarHBondContact O-N 3.27Å
275I97Very high90Very high0 Ų056.3 Ų56.30%029%0.287CS..EExtended strand (participates in β ladder)trans-104.1123164.4-54.8163.1000108.6L260 W264 I315 S316 V331L260-I275 HydrophobicContact CB-CD1 4.04Å; L260-I275 HydrophobicContact CD1-CG2 4.28Å; W264-I275 HydrophobicContact CB-CD1 4.43Å; W264-I275 HydrophobicContact CD2-CD1 3.29Å; W264-I275 HydrophobicContact CD2-CG1 4.04Å; W264-I275 VanDerWaalsContact CE2-CD1 3.49Å; W264-I275 HydrophobicContact CE3-CD1 3.52Å; W264-I275 HydrophobicContact CE3-CG1 4.4Å; W264-I275 HydrophobicContact CG-CD1 3.71Å; W264-I275 HydrophobicContact CH2-CD1 4.12Å; W264-I275 HydrophobicContact CH2-CG1 4.14Å; W264-I275 HydrophobicContact CZ2-CD1 3.91Å; W264-I275 HydrophobicContact CZ2-CG1 3.74Å; W264-I275 HydrophobicContact CZ3-CD1 3.94Å; W264-I275 HydrophobicContact CZ3-CG1 4.45Å; I275-I315 HydrophobicContact CB-CG1 4.11Å; I275-I315 HydrophobicContact CB-CG2 4.46Å; I275-I315 HydrophobicContact CD1-CG1 4.14Å; I275-I315 HydrophobicContact CG2-CD1 4.42Å; I275-I315 HydrophobicContact CG2-CG1 4.04Å; I275-I315 HydrophobicContact CG2-CG2 4.06Å; I275-I315 WeakPolarHBondContact O-CA 3.29Å; I275-S316 PolarHBondContact O-N 2.91Å; I275-V331 CarbonylContact C-O 3.51Å; I275-V331 WeakPolarHBondContact CA-O 3.44Å; I275-V331 HydrophobicContact CG1-CB 4.21Å; I275-V331 HydrophobicContact CG2-CB 4.32Å; I275-V331 HydrophobicContact CG2-CG1 4.4Å
276Y95.1Very high89.4Confident53 Ų5352.5 Ų52.521%0.20827%0.269CS..EExtended strand (participates in β ladder)trans-108.2127.2176.1-60.7-76.9000111.4P274 S316 L318 F324 V331 V332 M333P274-Y276 HydrophobicContact CB-CD2 4.25Å; P274-Y276 HydrophobicContact CB-CE1 4.37Å; P274-Y276 HydrophobicContact CB-CE2 3.5Å; P274-Y276 HydrophobicContact CG-CD2 4.38Å; P274-Y276 HydrophobicContact CG-CE2 3.44Å; P274-Y276 VanDerWaalsContact CG-CE2 3.44Å; Y276-S316 CarbonylContact C-O 3.4Å; Y276-S316 VanDerWaalsContact CA-O 3.32Å; Y276-S316 WeakPolarHBondContact CA-O 3.42Å; Y276-L318 HydrophobicContact CD1-CB 4.2Å; Y276-L318 HydrophobicContact CG-CB 4.47Å; Y276-F324 HydrophobicContact CD2-CD2 4.14Å; Y276-F324 AromaticContact CD2-CE2 3.7Å; Y276-F324 HydrophobicContact CD2-CE2 3.7Å; Y276-F324 AromaticContact CE2-CD2 3.98Å; Y276-F324 HydrophobicContact CE2-CD2 3.98Å; Y276-F324 AromaticContact CE2-CE2 3.53Å; Y276-F324 HydrophobicContact CE2-CE2 3.53Å; Y276-V331 PolarHBondContact N-O 3.38Å; Y276-V332 HydrophobicContact CD2-CG2 4.01Å; Y276-V332 WeakPolarHBondContact O-CA 3.12Å; Y276-M333 PolarHBondContact O-N 3.04Å
277Y92.7Very high88.8Confident4 Ų450.2 Ų50.22%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-95.999.1164.4178.8-139.9000109.3A249 L257 S279 A282 M286 S316 N317 L318 M333A249-Y277 VanDerWaalsContact C-OH 3.25Å; A249-Y277 WeakPolarHBondContact CA-OH 3.46Å; A249-Y277 VanDerWaalsContact CB-OH 3.28Å; A249-Y277 WeakPolarHBondContact CB-OH 3.41Å; A249-Y277 PolarHBondContact O-OH 3.46Å; L257-Y277 HydrophobicContact CD1-CD1 4.16Å; L257-Y277 HydrophobicContact CD1-CD2 4.47Å; L257-Y277 HydrophobicContact CD1-CE1 4.36Å; L257-Y277 HydrophobicContact CD1-CG 4.24Å; L257-Y277 HydrophobicContact CD2-CG 4.22Å; Y277-S279 PolarHBondContact O-N 2.95Å; Y277-A282 HydrophobicContact CD1-CB 3.45Å; Y277-A282 VanDerWaalsContact CD1-CB 3.45Å; Y277-A282 VanDerWaalsContact CE1-CA 3.48Å; Y277-A282 HydrophobicContact CE1-CB 3.21Å; Y277-A282 HydrophobicContact CG-CB 4.38Å; Y277-M286 HydrophobicContact CE1-CE 4.39Å; Y277-S316 PolarHBondContact N-O 2.77Å; Y277-N317 WeakPolarHBondContact O-CA 3.39Å; Y277-L318 PolarHBondContact O-N 3.05Å; Y277-M333 HydrophobicContact CD2-CB 4.23Å
278A88.2Confident88.2Confident0 Ų048.7 Ų48.70%026%0.258CS..EExtended strand (participates in β ladder)trans-94.687.3-169.900000111.3L318 V332 M333 A334 L343A278-L318 WeakPolarHBondContact CA-O 3.32Å; A278-L318 HydrophobicContact CB-CB 3.98Å; A278-L318 HydrophobicContact CB-CD2 3.94Å; A278-L318 HydrophobicContact CB-CG 4.32Å; A278-V332 HydrophobicContact CB-CG1 3.8Å; A278-M333 WeakPolarHBondContact CA-O 3.38Å; A278-M333 WeakPolarHBondContact CB-O 3.41Å; A278-M333 PolarHBondContact N-O 2.86Å; A278-A334 HydrophobicContact CB-CB 4.15Å; A278-L343 HydrophobicContact CB-CD2 3.59Å
279S81.6Confident87.6Confident6 Ų644.2 Ų44.24%0.04223%0.229CC..  trans-149.7133.6172.2173.30000110.5A249 Y277 L281 A282 L318A249-S279 WeakPolarHBondContact CB-OG 3.32Å; Y277-S279 PolarHBondContact O-N 2.95Å; S279-L281 PolarHBondContact O-N 2.99Å; S279-L281 VanDerWaalsContact O-N 3.1Å; S279-L281 PolarHBondContact OG-N 2.84Å; S279-L281 VanDerWaalsContact OG-N 3.16Å; S279-A282 VanDerWaalsContact O-CB 3.24Å; S279-A282 WeakPolarHBondContact O-CB 3.3Å; S279-A282 PolarHBondContact O-N 3.19Å; S279-A282 VanDerWaalsContact O-N 3.1Å; S279-L318 PolarHBondContact N-O 3.21Å
280S75.4Confident87.2Confident75 Ų7542.3 Ų42.352%0.52422%0.22SC..THydrogen-bonded Turntrans-60.2-21173.675.30000112.8
281L76Confident86.9Confident4 Ų447 Ų472%0.02125%0.249CC..THydrogen-bonded Turntrans-102.4-4.9-179.5-67.4168000113.6W112 D116 S279 K283 K284 C285W112-L281 HydrophobicContact CE3-CD2 3.93Å; W112-L281 WeakPolarHBondContact O-CD1 3.24Å; D116-L281 HydrophobicContact CB-CD1 3.41Å; D116-L281 VanDerWaalsContact CB-CD1 3.41Å; S279-L281 PolarHBondContact O-N 2.99Å; S279-L281 VanDerWaalsContact O-N 3.1Å; S279-L281 PolarHBondContact OG-N 2.84Å; S279-L281 VanDerWaalsContact OG-N 3.16Å; L281-K283 VanDerWaalsContact C-N 3.28Å; L281-K283 PolarHBondContact O-N 3.23Å; L281-K284 HydrophobicContact CD2-CD 4.15Å; L281-K284 WeakPolarHBondContact O-CA 3.36Å; L281-K284 PolarHBondContact O-N 3.11Å; L281-C285 PolarHBondContact O-N 3.13Å; L281-C285 PolarHBondContact O-SG 2.78Å
282A75.9Confident86.7Confident2 Ų245.3 Ų45.32%0.01724%0.239CC..Hα-helixtrans-42-52-175.800000113.7Y277 S279 K284 C285 M286Y277-A282 HydrophobicContact CD1-CB 3.45Å; Y277-A282 VanDerWaalsContact CD1-CB 3.45Å; Y277-A282 VanDerWaalsContact CE1-CA 3.48Å; Y277-A282 HydrophobicContact CE1-CB 3.21Å; Y277-A282 HydrophobicContact CG-CB 4.38Å; S279-A282 VanDerWaalsContact O-CB 3.24Å; S279-A282 WeakPolarHBondContact O-CB 3.3Å; S279-A282 PolarHBondContact O-N 3.19Å; S279-A282 VanDerWaalsContact O-N 3.1Å; A282-K284 PolarHBondContact O-N 3.39Å; A282-C285 WeakPolarHBondContact O-CB 3.28Å; A282-C285 PolarHBondContact O-N 3.13Å; A282-M286 WeakPolarHBondContact O-CG 3.38Å; A282-M286 PolarHBondContact O-N 3.43Å
283K80.3Confident86.4Confident171 Ų17138.4 Ų38.474%0.74320%0.203SC*.Hα-helixtrans-63.4-39.6-179.3-171.5177.2-178.81780113.1L281 A287L281-K283 VanDerWaalsContact C-N 3.28Å; L281-K283 PolarHBondContact O-N 3.23Å; K283-A287 PolarHBondContact O-N 3.08Å
284K83.3Confident86Confident104 Ų10442.6 Ų42.645%0.45223%0.225SC..Hα-helixtrans-71.7-43.4178.5-68.4-176175.4-178.20110.6W112 L281 A282 M286 A287 V288W112-K284 HydrophobicContact CD2-CB 4.4Å; W112-K284 HydrophobicContact CD2-CD 4.07Å; W112-K284 HydrophobicContact CE3-CD 3.69Å; W112-K284 HydrophobicContact CH2-CD 3.66Å; W112-K284 VanDerWaalsContact CH2-NZ 3.28Å; W112-K284 HydrophobicContact CZ2-CD 3.98Å; W112-K284 HydrophobicContact CZ3-CD 3.51Å; L281-K284 HydrophobicContact CD2-CD 4.15Å; L281-K284 WeakPolarHBondContact O-CA 3.36Å; L281-K284 PolarHBondContact O-N 3.11Å; A282-K284 PolarHBondContact O-N 3.39Å; K284-M286 VanDerWaalsContact C-N 3.32Å; K284-M286 PolarHBondContact O-N 3.03Å; K284-A287 PolarHBondContact O-N 3.38Å; K284-V288 WeakPolarHBondContact O-CG2 3.38Å; K284-V288 PolarHBondContact O-N 3.2Å; K284-V288 VanDerWaalsContact O-N 3.12Å
285C77.6Confident85.7Confident0 Ų041.3 Ų41.30%022%0.218CC..Hα-helixtrans-55.8-46.2175.9-63.80000111.8L250 L281 A282 A287 V288 Y289L250-C285 HydrophobicContact CD1-CB 4.3Å; L250-C285 WeakPolarHBondContact CD1-SG 3.36Å; L250-C285 HydrophobicContact CD2-CB 3.44Å; L250-C285 VanDerWaalsContact CD2-CB 3.44Å; L250-C285 HydrophobicContact CG-CB 3.82Å; L250-C285 WeakPolarHBondContact CG-SG 3.36Å; L281-C285 PolarHBondContact O-N 3.13Å; L281-C285 PolarHBondContact O-SG 2.78Å; A282-C285 WeakPolarHBondContact O-CB 3.28Å; A282-C285 PolarHBondContact O-N 3.13Å; C285-A287 PolarHBondContact O-N 3.12Å; C285-V288 PolarHBondContact O-N 3.39Å; C285-Y289 PolarHBondContact O-N 3.04Å
286M82.6Confident85.5Confident17 Ų1741.3 Ų41.38%0.08422%0.218CC..Hα-helixtrans-64.7-40.1179-70.6-53.195.600112.2Q254 Y277 A282 K284 V288 Y289 Q290 F312Q254-M286 HydrophobicContact CG-CE 3.63Å; Y277-M286 HydrophobicContact CE1-CE 4.39Å; A282-M286 WeakPolarHBondContact O-CG 3.38Å; A282-M286 PolarHBondContact O-N 3.43Å; K284-M286 VanDerWaalsContact C-N 3.32Å; K284-M286 PolarHBondContact O-N 3.03Å; M286-V288 VanDerWaalsContact C-N 3.3Å; M286-V288 PolarHBondContact O-N 3.1Å; M286-Y289 PolarHBondContact O-N 2.9Å; M286-Q290 VanDerWaalsContact O-CG 3.3Å; M286-Q290 WeakPolarHBondContact O-CG 3.38Å; M286-Q290 PolarHBondContact O-N 3.08Å; M286-F312 HydrophobicContact SD-CE2 3.9Å
287A86.3Confident85.3Confident51 Ų5138.9 Ų38.942%0.42121%0.209SC..Hα-helixtrans-62-38.3176.600000112.2K283 K284 C285 T291K283-A287 PolarHBondContact O-N 3.08Å; K284-A287 PolarHBondContact O-N 3.38Å; C285-A287 PolarHBondContact O-N 3.12Å; A287-T291 PolarHBondContact O-N 2.97Å; A287-T291 PolarHBondContact O-OG1 2.88Å
288V85.6Confident85.2Confident15 Ų1542.8 Ų42.89%0.09123%0.23CC..Hα-helixtrans-65.2-47.6174.9176.30000110.6A108 I109 K284 C285 M286 Q290 T291 Y292A108-V288 HydrophobicContact CB-CG1 3.93Å; I109-V288 HydrophobicContact CD1-CG1 4.43Å; I109-V288 HydrophobicContact CG1-CG1 3.56Å; K284-V288 WeakPolarHBondContact O-CG2 3.38Å; K284-V288 PolarHBondContact O-N 3.2Å; K284-V288 VanDerWaalsContact O-N 3.12Å; C285-V288 PolarHBondContact O-N 3.39Å; M286-V288 VanDerWaalsContact C-N 3.3Å; M286-V288 PolarHBondContact O-N 3.1Å; V288-Q290 VanDerWaalsContact C-N 3.32Å; V288-Q290 PolarHBondContact O-N 3.45Å; V288-T291 WeakPolarHBondContact O-CB 3.35Å; V288-T291 PolarHBondContact O-N 2.69Å; V288-Y292 HydrophobicContact CG1-CD2 3.89Å; V288-Y292 HydrophobicContact CG1-CE2 4Å; V288-Y292 VanDerWaalsContact O-CD2 3.32Å; V288-Y292 WeakPolarHBondContact O-CD2 3.35Å; V288-Y292 PolarHBondContact O-N 3.43Å
289Y84.8Confident85.3Confident0 Ų048.2 Ų48.20%025%0.254CS..Hα-helixtrans-57.8-43.3176.8-96.1-108.1000112.4I109 L167 H194 L250 G251 Q254 C285 M286 T291 Y292 M296 F310I109-Y289 HydrophobicContact CD1-CE2 4.01Å; L167-Y289 HydrophobicContact CB-CE1 3.89Å; L167-Y289 HydrophobicContact CB-CE2 4.46Å; L167-Y289 HydrophobicContact CD2-CD1 3.64Å; L167-Y289 HydrophobicContact CD2-CD2 3.99Å; L167-Y289 HydrophobicContact CD2-CE1 3.74Å; L167-Y289 HydrophobicContact CD2-CE2 4.08Å; L167-Y289 HydrophobicContact CD2-CG 3.75Å; L167-Y289 HydrophobicContact CG-CE1 4.43Å; H194-Y289 AromaticContact NE2-CE1 3.84Å; L250-Y289 HydrophobicContact CD2-CD2 3.85Å; L250-Y289 HydrophobicContact CD2-CE2 3.52Å; G251-Y289 PolarHBondContact N-OH 2.68Å; Q254-Y289 HydrophobicContact CB-CD1 4.17Å; Q254-Y289 HydrophobicContact CB-CE1 3.77Å; Q254-Y289 HydrophobicContact CG-CD1 3.73Å; Q254-Y289 HydrophobicContact CG-CD2 4.25Å; Q254-Y289 HydrophobicContact CG-CE1 3.57Å; Q254-Y289 HydrophobicContact CG-CE2 4.11Å; Q254-Y289 HydrophobicContact CG-CG 4.08Å; Q254-Y289 PolarHBondContact OE1-OH 3.26Å; C285-Y289 PolarHBondContact O-N 3.04Å; M286-Y289 PolarHBondContact O-N 2.9Å; Y289-T291 VanDerWaalsContact C-N 3.27Å; Y289-T291 PolarHBondContact O-N 3.08Å; Y289-Y292 PolarHBondContact O-N 2.92Å; Y289-M296 HydrophobicContact CD1-CE 3.59Å; Y289-M296 HydrophobicContact CE1-CE 4.39Å; Y289-M296 HydrophobicContact CG-CE 4.28Å; Y289-M296 VanDerWaalsContact O-CE 3.24Å; Y289-M296 WeakPolarHBondContact O-CE 3.47Å; Y289-F310 HydrophobicContact CD1-CE1 4.22Å; Y289-F310 HydrophobicContact CD1-CZ 4.42Å
290Q87.5Confident85.8Confident70 Ų7048.5 Ų48.533%0.32726%0.255SS..Hα-helixtrans-66.9-27.6177.3-69.6177.23.700113.1M286 V288 V293 F310M286-Q290 VanDerWaalsContact O-CG 3.3Å; M286-Q290 WeakPolarHBondContact O-CG 3.38Å; M286-Q290 PolarHBondContact O-N 3.08Å; V288-Q290 VanDerWaalsContact C-N 3.32Å; V288-Q290 PolarHBondContact O-N 3.45Å; Q290-V293 VanDerWaalsContact O-CG2 3.29Å; Q290-V293 WeakPolarHBondContact O-CG2 3.14Å; Q290-F310 HydrophobicContact CG-CB 4.1Å
291T90.4Very high86.4Confident101 Ų10149.4 Ų49.462%0.6225%0.246SC*.Hα-helixtrans-72.3-37177.3-57.80000111.6A287 V288 Y289A287-T291 PolarHBondContact O-N 2.97Å; A287-T291 PolarHBondContact O-OG1 2.88Å; V288-T291 WeakPolarHBondContact O-CB 3.35Å; V288-T291 PolarHBondContact O-N 2.69Å; Y289-T291 VanDerWaalsContact C-N 3.27Å; Y289-T291 PolarHBondContact O-N 3.08Å
292Y91.6Very high87Confident54 Ų5456.3 Ų56.321%0.21228%0.276CS..THydrogen-bonded Turntrans-100.330.9-175.4-65.9-73.8000113.9H104 A105 A108 V288 Y289 N294 A295H104-Y292 HydrophobicContact CB-CE1 3.72Å; H104-Y292 PolarHBondContact O-OH 2.93Å; A105-Y292 HydrophobicContact CB-CD1 4.09Å; A105-Y292 HydrophobicContact CB-CD2 4.15Å; A105-Y292 HydrophobicContact CB-CG 3.85Å; A108-Y292 HydrophobicContact CB-CD2 4.48Å; A108-Y292 HydrophobicContact CB-CE2 3.45Å; A108-Y292 VanDerWaalsContact CB-CE2 3.45Å; V288-Y292 HydrophobicContact CG1-CD2 3.89Å; V288-Y292 HydrophobicContact CG1-CE2 4Å; V288-Y292 VanDerWaalsContact O-CD2 3.32Å; V288-Y292 WeakPolarHBondContact O-CD2 3.35Å; V288-Y292 PolarHBondContact O-N 3.43Å; Y289-Y292 PolarHBondContact O-N 2.92Å; Y292-N294 VanDerWaalsContact C-OD1 3.29Å; Y292-N294 WeakPolarHBondContact CA-OD1 3.35Å; Y292-N294 PolarHBondContact O-N 2.82Å; Y292-N294 VanDerWaalsContact O-N 3.12Å; Y292-N294 PolarHBondContact O-OD1 2.8Å; Y292-A295 PolarHBondContact O-N 3.2Å
293V90.1Very high87.5Confident16 Ų1658 Ų5810%0.09729%0.291CS..G310 helixtrans-57.4-25.4174.1169.60000112Q290 A295 M296 I300 R301 I304Q290-V293 VanDerWaalsContact O-CG2 3.29Å; Q290-V293 WeakPolarHBondContact O-CG2 3.14Å; V293-A295 PolarHBondContact O-N 2.87Å; V293-M296 HydrophobicContact CB-SD 4.49Å; V293-M296 HydrophobicContact CG2-SD 4.15Å; V293-M296 WeakPolarHBondContact O-CB 3.47Å; V293-M296 PolarHBondContact O-N 3.14Å; V293-M296 VanDerWaalsContact O-N 3.09Å; V293-I300 HydrophobicContact CG1-CG2 4.24Å; V293-R301 HydrophobicContact CG1-CG 4.2Å; V293-R301 VanDerWaalsContact O-CG 3.27Å; V293-R301 WeakPolarHBondContact O-CG 3.44Å; V293-I304 HydrophobicContact CG1-CB 4.32Å; V293-I304 HydrophobicContact CG1-CG1 4.32Å; V293-I304 HydrophobicContact CG1-CG2 4.3Å; V293-I304 HydrophobicContact CG2-CD1 3.98Å; V293-I304 HydrophobicContact CG2-CG1 4.4Å
294N87.6Confident87.7Confident111 Ų11152 Ų5259%0.59427%0.266SS*.G310 helixtrans-60.2-28.8174.163.8-32.8000113.6Y292 M296 R301Y292-N294 VanDerWaalsContact C-OD1 3.29Å; Y292-N294 WeakPolarHBondContact CA-OD1 3.35Å; Y292-N294 PolarHBondContact O-N 2.82Å; Y292-N294 VanDerWaalsContact O-N 3.12Å; Y292-N294 PolarHBondContact O-OD1 2.8Å; N294-M296 VanDerWaalsContact C-N 3.34Å; N294-R301 PolarHBondContact O-NH1 2.86Å
295A89.5Confident87.5Confident14 Ų1453.9 Ų53.912%0.11628%0.281CS..G310 helixtrans-88.83.1177.600000113.7L167 Y292 V293L167-A295 HydrophobicContact CD1-CB 4Å; Y292-A295 PolarHBondContact O-N 3.2Å; V293-A295 PolarHBondContact O-N 2.87Å
296M92.5Very high87.9Confident0 Ų060.4 Ų60.40%032%0.32CS..SBendtrans-91.9172.2176.7-67.9-179.4-175.200112L167 H194 Y289 V293 N294 I300 F310L167-M296 HydrophobicContact CD1-CE 4.11Å; L167-M296 HydrophobicContact CD1-CG 3.87Å; L167-M296 HydrophobicContact CD2-CE 3.85Å; H194-M296 WeakPolarHBondContact O-CA 3.48Å; H194-M296 WeakPolarHBondContact O-CB 3.46Å; Y289-M296 HydrophobicContact CD1-CE 3.59Å; Y289-M296 HydrophobicContact CE1-CE 4.39Å; Y289-M296 HydrophobicContact CG-CE 4.28Å; Y289-M296 VanDerWaalsContact O-CE 3.24Å; Y289-M296 WeakPolarHBondContact O-CE 3.47Å; V293-M296 HydrophobicContact CB-SD 4.49Å; V293-M296 HydrophobicContact CG2-SD 4.15Å; V293-M296 WeakPolarHBondContact O-CB 3.47Å; V293-M296 PolarHBondContact O-N 3.14Å; V293-M296 VanDerWaalsContact O-N 3.09Å; N294-M296 VanDerWaalsContact C-N 3.34Å; M296-I300 HydrophobicContact CB-CB 4.25Å; M296-I300 HydrophobicContact CB-CG2 4.33Å; M296-I300 HydrophobicContact SD-CB 4.42Å; M296-I300 HydrophobicContact SD-CG2 3.68Å; M296-F310 HydrophobicContact CE-CE1 4.48Å; M296-F310 HydrophobicContact CE-CE2 3.59Å; M296-F310 HydrophobicContact CE-CZ 3.54Å; M296-F310 HydrophobicContact SD-CE2 3.41Å; M296-F310 WeakPolarHBondContact SD-CE2 3.41Å; M296-F310 HydrophobicContact SD-CZ 3.59Å; M296-F310 VanDerWaalsContact SD-CZ 3.59Å
297N92.3Very high87.9Confident2 Ų263.6 Ų63.61%0.01134%0.338CS..  trans-66.3166.1178.371.525.6000113.2E191 D192 R193 H194 K299 I300 R301E191-N297 HydrophobicContact CG-CB 4.35Å; E191-N297 WeakPolarHBondContact OE1-CB 3.31Å; D192-N297 PolarHBondContact O-ND2 2.91Å; D192-N297 VanDerWaalsContact O-ND2 3.1Å; R193-N297 VanDerWaalsContact C-ND2 3.32Å; R193-N297 PolarHBondContact O-ND2 3.43Å; H194-N297 WeakPolarHBondContact CA-ND2 3.25Å; H194-N297 PolarHBondContact N-ND2 2.97Å; H194-N297 PolarHBondContact O-N 3.4Å; N297-K299 PolarHBondContact O-N 2.58Å; N297-K299 WeakPolarHBondContact OD1-CB 3.47Å; N297-K299 PolarHBondContact OD1-N 3.03Å; N297-K299 VanDerWaalsContact OD1-N 3.11Å; N297-I300 PolarHBondContact O-N 3.43Å; N297-I300 WeakPolarHBondContact OD1-CG1 3.29Å; N297-I300 PolarHBondContact OD1-N 2.84Å; N297-R301 WeakPolarHBondContact O-CG 3.47Å; N297-R301 PolarHBondContact O-N 3.03Å; N297-R301 VanDerWaalsContact O-N 3.13Å
298D90.8Very high87.8Confident85 Ų8562.8 Ų62.846%0.45533%0.327SS..Hα-helixtrans-62.6-27.2-179.3-82.5-31.5000114R301 K302D298-R301 IonicContact OD1-CZ 2.75Å; D298-R301 IonicContact OD1-NE 3.78Å; D298-R301 PolarHBondContact OD1-NE 3.26Å; D298-R301 IonicContact OD1-NH2 3.44Å; D298-R301 PolarHBondContact OD1-NH2 2.79Å; D298-K302 WeakPolarHBondContact O-CB 3.47Å; D298-K302 WeakPolarHBondContact O-CD 3.33Å; D298-K302 VanDerWaalsContact O-CG 3.24Å; D298-K302 WeakPolarHBondContact O-CG 3.46Å; D298-K302 PolarHBondContact O-N 2.99Å; D298-K302 VanDerWaalsContact O-N 3.13Å
299K89.9Confident87.7Confident115 Ų11563.5 Ų63.550%0.533%0.331SS..Hα-helixtrans-65.8-50.9-179.7-62.6169.7-179151.50110E191 N297 K302 A303E191-K299 IonicContact OE2-NZ 2.77Å; E191-K299 PolarHBondContact OE2-NZ 2.82Å; N297-K299 PolarHBondContact O-N 2.58Å; N297-K299 WeakPolarHBondContact OD1-CB 3.47Å; N297-K299 PolarHBondContact OD1-N 3.03Å; N297-K299 VanDerWaalsContact OD1-N 3.11Å; K299-K302 PolarHBondContact O-N 2.96Å; K299-A303 WeakPolarHBondContact O-CB 3.25Å; K299-A303 PolarHBondContact O-N 3.01Å
300I90.9Very high87.8Confident12 Ų1263.7 Ų63.76%0.06233%0.332CS..Hα-helixtrans-66.8-43.4177.9-62.3-64.4000111.4R193 H194 V293 M296 N297 K302 A303 I304 P309 F310R193-I300 WeakPolarHBondContact O-CG1 3.46Å; H194-I300 HydrophobicContact CB-CD1 4.25Å; H194-I300 HydrophobicContact CB-CG1 3.84Å; V293-I300 HydrophobicContact CG1-CG2 4.24Å; M296-I300 HydrophobicContact CB-CB 4.25Å; M296-I300 HydrophobicContact CB-CG2 4.33Å; M296-I300 HydrophobicContact SD-CB 4.42Å; M296-I300 HydrophobicContact SD-CG2 3.68Å; N297-I300 PolarHBondContact O-N 3.43Å; N297-I300 WeakPolarHBondContact OD1-CG1 3.29Å; N297-I300 PolarHBondContact OD1-N 2.84Å; I300-K302 PolarHBondContact O-N 3.17Å; I300-A303 PolarHBondContact O-N 2.92Å; I300-A303 VanDerWaalsContact O-N 3.1Å; I300-I304 PolarHBondContact O-N 3.38Å; I300-P309 HydrophobicContact CD1-CB 4.29Å; I300-P309 HydrophobicContact CD1-CG 3.49Å; I300-P309 VanDerWaalsContact CD1-CG 3.49Å; I300-P309 HydrophobicContact CG2-CG 4.28Å; I300-F310 HydrophobicContact CG2-CE2 3.93Å
301R88.6Confident87.9Confident94 Ų9464.5 Ų64.536%0.35534%0.342SS..Hα-helixtrans-57.9-32.5178.6-70.9-167.7-62.2-152.24.3112.9V293 N294 N297 D298 I304V293-R301 HydrophobicContact CG1-CG 4.2Å; V293-R301 VanDerWaalsContact O-CG 3.27Å; V293-R301 WeakPolarHBondContact O-CG 3.44Å; N294-R301 PolarHBondContact O-NH1 2.86Å; N297-R301 WeakPolarHBondContact O-CG 3.47Å; N297-R301 PolarHBondContact O-N 3.03Å; N297-R301 VanDerWaalsContact O-N 3.13Å; D298-R301 IonicContact OD1-CZ 2.75Å; D298-R301 IonicContact OD1-NE 3.78Å; D298-R301 PolarHBondContact OD1-NE 3.26Å; D298-R301 IonicContact OD1-NH2 3.44Å; D298-R301 PolarHBondContact OD1-NH2 2.79Å; R301-I304 WeakPolarHBondContact O-CG2 3.5Å
302K88.8Confident87.9Confident148 Ų14861.3 Ų61.364%0.64332%0.319SS*.Hα-helixtrans-80.2-41.7174.4-70.2169.3-174.2170.30112.1D298 K299 I300 I304D298-K302 WeakPolarHBondContact O-CB 3.47Å; D298-K302 WeakPolarHBondContact O-CD 3.33Å; D298-K302 VanDerWaalsContact O-CG 3.24Å; D298-K302 WeakPolarHBondContact O-CG 3.46Å; D298-K302 PolarHBondContact O-N 2.99Å; D298-K302 VanDerWaalsContact O-N 3.13Å; K299-K302 PolarHBondContact O-N 2.96Å; I300-K302 PolarHBondContact O-N 3.17Å; K302-I304 PolarHBondContact O-N 3.35Å
303A86.3Confident88Confident39 Ų3964.9 Ų64.932%0.32234%0.336SS..Hα-helixtrans-64.9-35.9-177.500000113.1K299 I300 N305 V306 N307K299-A303 WeakPolarHBondContact O-CB 3.25Å; K299-A303 PolarHBondContact O-N 3.01Å; I300-A303 PolarHBondContact O-N 2.92Å; I300-A303 VanDerWaalsContact O-N 3.1Å; A303-N305 PolarHBondContact O-N 2.97Å; A303-V306 PolarHBondContact O-N 2.83Å; A303-N307 CarbonylContact C-O 3.25Å; A303-N307 CarbonylContact O-C 3.58Å; A303-N307 PolarHBondContact O-N 2.78Å
304I85.8Confident88.2Confident44 Ų4466.1 Ų66.123%0.22634%0.341CS..THydrogen-bonded Turntrans-55-30-174.3-156.876.4000113.8V293 I300 R301 K302 V306 N308V293-I304 HydrophobicContact CG1-CB 4.32Å; V293-I304 HydrophobicContact CG1-CG1 4.32Å; V293-I304 HydrophobicContact CG1-CG2 4.3Å; V293-I304 HydrophobicContact CG2-CD1 3.98Å; V293-I304 HydrophobicContact CG2-CG1 4.4Å; I300-I304 PolarHBondContact O-N 3.38Å; R301-I304 WeakPolarHBondContact O-CG2 3.5Å; K302-I304 PolarHBondContact O-N 3.35Å; I304-V306 VanDerWaalsContact C-N 3.31Å; I304-V306 PolarHBondContact O-N 2.84Å; I304-N308 HydrophobicContact CD1-CB 3.85Å; I304-N308 WeakPolarHBondContact CD1-OD1 3.24Å
305N79.1Confident88.6Confident143 Ų14361.7 Ų61.777%0.76532%0.317SS*.THydrogen-bonded Turntrans-75.7-19.2179.7-67.4-38.7000113.3A303A303-N305 PolarHBondContact O-N 2.97Å
306V84.1Confident88.7Confident137 Ų13764.2 Ų64.283%0.8333%0.334SS*.THydrogen-bonded Turntrans-106.4-52.4-178.2-178.30000110.4A303 I304A303-V306 PolarHBondContact O-N 2.83Å; I304-V306 VanDerWaalsContact C-N 3.31Å; I304-V306 PolarHBondContact O-N 2.84Å
307N82.9Confident88.6Confident85 Ų8568.7 Ų68.746%0.45536%0.357SS..  trans-149125.5178.4-177.521.8000109.1A303 P309A303-N307 CarbonylContact C-O 3.25Å; A303-N307 CarbonylContact O-C 3.58Å; A303-N307 PolarHBondContact O-N 2.78Å; N307-P309 VanDerWaalsContact O-CD 3.25Å; N307-P309 WeakPolarHBondContact O-CD 3.41Å
308N85.3Confident88.3Confident34 Ų3468.9 Ų68.918%0.18236%0.358CS..  trans-78.4111.6178.7-176.9-16.3000110I304 F310 V311I304-N308 HydrophobicContact CD1-CB 3.85Å; I304-N308 WeakPolarHBondContact CD1-OD1 3.24Å; N308-F310 PolarHBondContact O-N 2.65Å; N308-F310 PolarHBondContact OD1-N 3.35Å; N308-V311 HydrophobicContact CB-CG2 3.91Å; N308-V311 PolarHBondContact O-N 3.43Å
309P83.4Confident87.5Confident29 Ų2972.3 Ų72.319%0.18837%0.369CS..THydrogen-bonded Turntrans-71.7-10.7-174.531-34.6000113.4L258 I300 N307 V311 F312L258-P309 HydrophobicContact CD2-CB 3.78Å; L258-P309 VanDerWaalsContact CD2-O 3.29Å; L258-P309 WeakPolarHBondContact CD2-O 3.36Å; I300-P309 HydrophobicContact CD1-CB 4.29Å; I300-P309 HydrophobicContact CD1-CG 3.49Å; I300-P309 VanDerWaalsContact CD1-CG 3.49Å; I300-P309 HydrophobicContact CG2-CG 4.28Å; N307-P309 VanDerWaalsContact O-CD 3.25Å; N307-P309 WeakPolarHBondContact O-CD 3.41Å; P309-V311 VanDerWaalsContact C-N 3.32Å; P309-F312 VanDerWaalsContact O-CE1 3.27Å; P309-F312 WeakPolarHBondContact O-CE1 3.48Å
310F87.1Confident86.7Confident5 Ų568.5 Ų68.52%0.02236%0.357CS..THydrogen-bonded Turntrans-90.95.8172.1-57.7-74.2000113.1H194 Q254 L258 Y289 Q290 M296 I300 N308 F312H194-F310 HydrophobicContact CB-CZ 3.95Å; Q254-F310 HydrophobicContact CB-CE1 4.42Å; L258-F310 HydrophobicContact CD1-CE1 4Å; L258-F310 HydrophobicContact CD1-CZ 4.38Å; L258-F310 HydrophobicContact CD2-CE1 4.46Å; L258-F310 HydrophobicContact CG-CE1 4.41Å; Y289-F310 HydrophobicContact CD1-CE1 4.22Å; Y289-F310 HydrophobicContact CD1-CZ 4.42Å; Q290-F310 HydrophobicContact CG-CB 4.1Å; M296-F310 HydrophobicContact CE-CE1 4.48Å; M296-F310 HydrophobicContact CE-CE2 3.59Å; M296-F310 HydrophobicContact CE-CZ 3.54Å; M296-F310 HydrophobicContact SD-CE2 3.41Å; M296-F310 WeakPolarHBondContact SD-CE2 3.41Å; M296-F310 HydrophobicContact SD-CZ 3.59Å; M296-F310 VanDerWaalsContact SD-CZ 3.59Å; I300-F310 HydrophobicContact CG2-CE2 3.93Å; N308-F310 PolarHBondContact O-N 2.65Å; N308-F310 PolarHBondContact OD1-N 3.35Å; F310-F312 HydrophobicContact CD1-CZ 4.29Å
311V89.3Confident86Confident86 Ų8670.4 Ų70.452%0.52137%0.366SS..SBendtrans-100.882.7167.2-177.40000107.2N308 P309N308-V311 HydrophobicContact CB-CG2 3.91Å; N308-V311 PolarHBondContact O-N 3.43Å; P309-V311 VanDerWaalsContact C-N 3.32Å
312F91.3Very high85.6Confident34 Ų3473 Ų7315%0.14939%0.387CS..  trans-67.2142-175.8-53.5-63.3000111.7L257 L258 D261 M286 P309 F310 I315L257-F312 HydrophobicContact CB-CE1 3.83Å; L257-F312 HydrophobicContact CB-CE2 3.91Å; L257-F312 HydrophobicContact CB-CZ 3.45Å; L257-F312 VanDerWaalsContact CB-CZ 3.45Å; L257-F312 HydrophobicContact CD1-CE2 3.87Å; L257-F312 HydrophobicContact CD1-CZ 4.12Å; L257-F312 HydrophobicContact CG-CE2 4.38Å; L257-F312 HydrophobicContact CG-CZ 4.35Å; L258-F312 HydrophobicContact CD2-CE1 4.02Å; L258-F312 HydrophobicContact CG-CE1 4.34Å; D261-F312 HydrophobicContact CB-CD1 3.77Å; M286-F312 HydrophobicContact SD-CE2 3.9Å; P309-F312 VanDerWaalsContact O-CE1 3.27Å; P309-F312 WeakPolarHBondContact O-CE1 3.48Å; F310-F312 HydrophobicContact CD1-CZ 4.29Å; F312-I315 HydrophobicContact CB-CB 3.75Å; F312-I315 HydrophobicContact CB-CD1 4.2Å; F312-I315 HydrophobicContact CB-CG1 4.04Å; F312-I315 HydrophobicContact CD1-CD1 4.12Å; F312-I315 HydrophobicContact CD2-CD1 4.47Å; F312-I315 HydrophobicContact CG-CB 4.25Å; F312-I315 HydrophobicContact CG-CD1 4.01Å; F312-I315 HydrophobicContact CG-CG1 4.39Å
313K92.6Very high84.9Confident130 Ų13072.2 Ų72.257%0.56539%0.386SS*.SBendtrans-96.8-32.1-179-65.7176.2-173.5165.20112.3D261D261-K313 PolarHBondContact OD1-N 3.09Å; D261-K313 PolarHBondContact OD2-N 2.83Å
314H95.1Very high84.8Confident42 Ų4271.2 Ų71.219%0.19437%0.374CS..SBendtrans-107.52.2-173.9-57.7-77.8000112.8D261 W264 H271D261-H314 IonicContact OD1-CD2 2.77Å; D261-H314 IonicContact OD1-CG 3.05Å; D261-H314 PolarHBondContact OD1-N 2.83Å; W264-H314 HydrophobicContact CB-CB 3.73Å; W264-H314 HydrophobicContact CG-CB 4.09Å; H271-H314 AromaticContact CD2-CE1 3.86Å; H271-H314 AromaticContact CE1-CE1 3.87Å; H271-H314 AromaticContact NE2-CE1 3.48Å; H271-H314 PolarHBondContact NE2-CE1 3.27Å
315I94.8Very high84.7Confident17 Ų1775.1 Ų75.19%0.08740%0.395CS..EExtended strand (participates in β ladder)trans-116.8127.2-176.3-50.4-179.2000110.6L257 L260 D261 I275 F312L257-I315 HydrophobicContact CB-CD1 4.05Å; L257-I315 HydrophobicContact CD2-CD1 3.58Å; L257-I315 HydrophobicContact CD2-CG2 3.88Å; L257-I315 HydrophobicContact CG-CD1 4.44Å; L257-I315 WeakPolarHBondContact O-CD1 3.36Å; L260-I315 HydrophobicContact CB-CD1 4.38Å; D261-I315 HydrophobicContact CB-CD1 4.02Å; D261-I315 HydrophobicContact CB-CG1 4.41Å; I275-I315 HydrophobicContact CB-CG1 4.11Å; I275-I315 HydrophobicContact CB-CG2 4.46Å; I275-I315 HydrophobicContact CD1-CG1 4.14Å; I275-I315 HydrophobicContact CG2-CD1 4.42Å; I275-I315 HydrophobicContact CG2-CG1 4.04Å; I275-I315 HydrophobicContact CG2-CG2 4.06Å; I275-I315 WeakPolarHBondContact O-CA 3.29Å; F312-I315 HydrophobicContact CB-CB 3.75Å; F312-I315 HydrophobicContact CB-CD1 4.2Å; F312-I315 HydrophobicContact CB-CG1 4.04Å; F312-I315 HydrophobicContact CD1-CD1 4.12Å; F312-I315 HydrophobicContact CD2-CD1 4.47Å; F312-I315 HydrophobicContact CG-CB 4.25Å; F312-I315 HydrophobicContact CG-CD1 4.01Å; F312-I315 HydrophobicContact CG-CG1 4.39Å
316S91.9Very high85.2Confident68 Ų6871.3 Ų71.348%0.47638%0.375SS..EExtended strand (participates in β ladder)trans-109.3143.3178.4-670000111.5I275 Y276 Y277I275-S316 PolarHBondContact O-N 2.91Å; Y276-S316 CarbonylContact C-O 3.4Å; Y276-S316 VanDerWaalsContact CA-O 3.32Å; Y276-S316 WeakPolarHBondContact CA-O 3.42Å; Y277-S316 PolarHBondContact N-O 2.77Å
317N90.2Very high85.6Confident93 Ų9371.6 Ų71.650%0.49737%0.37SS..EExtended strand (participates in β ladder)trans-78.8134.4174.7-66.3-38.9000110.5Y277Y277-N317 WeakPolarHBondContact O-CA 3.39Å
318L85.6Confident86.1Confident6 Ų669 Ų693%0.03136%0.363CS..EExtended strand (participates in β ladder)trans-114.2126.2173-178.168.3000109.8Y276 Y277 A278 S279 S320 H323 F324Y276-L318 HydrophobicContact CD1-CB 4.2Å; Y276-L318 HydrophobicContact CG-CB 4.47Å; Y277-L318 PolarHBondContact O-N 3.05Å; A278-L318 WeakPolarHBondContact CA-O 3.32Å; A278-L318 HydrophobicContact CB-CB 3.98Å; A278-L318 HydrophobicContact CB-CD2 3.94Å; A278-L318 HydrophobicContact CB-CG 4.32Å; S279-L318 PolarHBondContact N-O 3.21Å; L318-S320 WeakPolarHBondContact CD1-O 3.49Å; L318-H323 HydrophobicContact CD1-CB 4.12Å; L318-F324 HydrophobicContact CD1-CB 3.82Å; L318-F324 HydrophobicContact CD2-CB 3.81Å; L318-F324 HydrophobicContact CD2-CD2 3.93Å; L318-F324 HydrophobicContact CD2-CG 3.99Å; L318-F324 HydrophobicContact CG-CB 4.43Å
319K74.7Confident86.7Confident158 Ų15868.8 Ų68.869%0.68736%0.364SS*.  trans-87.5-42.9-175.2-71.4-177.4-178.6175.20113.5
320S73.9Confident87.4Confident34 Ų3467.6 Ų67.624%0.23836%0.356CS..  trans-154.9166.1-179.365.80000109.6L318 D322 H323L318-S320 WeakPolarHBondContact CD1-O 3.49Å; S320-D322 PolarHBondContact O-N 3.16Å; S320-D322 PolarHBondContact OG-OD2 3.36Å; S320-H323 PolarHBondContact O-N 2.89Å; S320-H323 PolarHBondContact OG-CD2 2.9Å
321M76.2Confident87.9Confident53 Ų5367.3 Ų67.326%0.26136%0.355SS..G310 helixtrans-59.5-29.7175.2-160.377.686.100112.5H323 F324 L343 E346 L347M321-H323 PolarHBondContact O-N 3.5Å; M321-H323 VanDerWaalsContact O-N 3.1Å; M321-F324 WeakPolarHBondContact O-CB 3.21Å; M321-F324 PolarHBondContact O-N 3.04Å; M321-F324 HydrophobicContact SD-CD1 3.96Å; M321-L343 HydrophobicContact CB-CD1 4.34Å; M321-L343 HydrophobicContact CE-CD1 3.75Å; M321-L343 HydrophobicContact SD-CD1 4.24Å; M321-E346 HydrophobicContact CE-CB 4.1Å; M321-L347 HydrophobicContact CE-CD2 3.53Å; M321-L347 HydrophobicContact CE-CG 3.78Å; M321-L347 HydrophobicContact SD-CD2 3.59Å; M321-L347 VanDerWaalsContact SD-CD2 3.59Å; M321-L347 HydrophobicContact SD-CG 4.35Å
322D78.6Confident88.2Confident147 Ų14763.2 Ų63.279%0.78633%0.33SS*.G310 helixtrans-63.7-19.1179.6-48.4-50.9000113.7S320S320-D322 PolarHBondContact O-N 3.16Å; S320-D322 PolarHBondContact OG-OD2 3.36Å
323H75.1Confident88.4Confident133 Ų13361.6 Ų61.662%0.61632%0.323SS*.G310 helixtrans-101.98.2177.7-63-56.1000112.6L318 S320 M321L318-H323 HydrophobicContact CD1-CB 4.12Å; S320-H323 PolarHBondContact O-N 2.89Å; S320-H323 PolarHBondContact OG-CD2 2.9Å; M321-H323 PolarHBondContact O-N 3.5Å; M321-H323 VanDerWaalsContact O-N 3.1Å
324F83.5Confident88.4Confident17 Ų1755.5 Ų55.58%0.07530%0.297CS..  trans-111.3108.8-178.3-179.2-116.1000110.1Y276 L318 M321 D326 V332 L347 W351Y276-F324 HydrophobicContact CD2-CD2 4.14Å; Y276-F324 AromaticContact CD2-CE2 3.7Å; Y276-F324 HydrophobicContact CD2-CE2 3.7Å; Y276-F324 AromaticContact CE2-CD2 3.98Å; Y276-F324 HydrophobicContact CE2-CD2 3.98Å; Y276-F324 AromaticContact CE2-CE2 3.53Å; Y276-F324 HydrophobicContact CE2-CE2 3.53Å; L318-F324 HydrophobicContact CD1-CB 3.82Å; L318-F324 HydrophobicContact CD2-CB 3.81Å; L318-F324 HydrophobicContact CD2-CD2 3.93Å; L318-F324 HydrophobicContact CD2-CG 3.99Å; L318-F324 HydrophobicContact CG-CB 4.43Å; M321-F324 WeakPolarHBondContact O-CB 3.21Å; M321-F324 PolarHBondContact O-N 3.04Å; M321-F324 HydrophobicContact SD-CD1 3.96Å; F324-D326 HydrophobicContact CD1-CB 3.99Å; F324-D326 HydrophobicContact CE1-CB 3.44Å; F324-D326 VanDerWaalsContact CE1-CB 3.44Å; F324-D326 HydrophobicContact CZ-CB 4.09Å; F324-D326 PolarHBondContact O-N 2.95Å; F324-V332 HydrophobicContact CE2-CG2 4.19Å; F324-V332 HydrophobicContact CZ-CG2 4.18Å; F324-L347 HydrophobicContact CE1-CD2 4.48Å; F324-W351 AromaticContact CE1-CZ2 3.97Å; F324-W351 HydrophobicContact CE1-CZ2 3.97Å; F324-W351 HydrophobicContact CZ-CZ2 4.06Å
325D84.9Confident88.1Confident127 Ų12753.9 Ų53.968%0.67929%0.291SS*.  trans-84.7102.9167.6-67.7-33.2000108.3I327D325-I327 HydrophobicContact CB-CD1 4.13Å; D325-I327 HydrophobicContact CB-CG1 4.28Å; D325-I327 PolarHBondContact O-N 3.46Å
326D89.5Confident87.9Confident62 Ų6253.7 Ų53.733%0.33229%0.29SS..  trans-7466.9-179.2-168.9-5.1000112.3R242 F324 W351R242-D326 IonicContact CZ-OD1 2.73Å; R242-D326 IonicContact NE-OD1 3.51Å; R242-D326 PolarHBondContact NE-OD1 3.1Å; R242-D326 IonicContact NE-OD2 2.75Å; R242-D326 PolarHBondContact NH2-O 2.91Å; R242-D326 IonicContact NH2-OD1 3.22Å; R242-D326 PolarHBondContact NH2-OD1 3.35Å; F324-D326 HydrophobicContact CD1-CB 3.99Å; F324-D326 HydrophobicContact CE1-CB 3.44Å; F324-D326 VanDerWaalsContact CE1-CB 3.44Å; F324-D326 HydrophobicContact CZ-CB 4.09Å; F324-D326 PolarHBondContact O-N 2.95Å; D326-W351 PolarHBondContact OD2-NE1 3.3Å
327I91.2Very high87.8Confident143 Ų14351 Ų5173%0.73327%0.273SS*.  trans-114.4119.4-177.5-56.1175.8000109.5D325D325-I327 HydrophobicContact CB-CD1 4.13Å; D325-I327 HydrophobicContact CB-CG1 4.28Å; D325-I327 PolarHBondContact O-N 3.46Å
328G94.4Very high87.9Confident30 Ų3047.6 Ų47.631%0.30925%0.254SS..SBendtrans76.9-169.3177.600000114.1R242R242-G328 PolarHBondContact NH2-O 2.99Å
329P97.3Very high88.3Confident31 Ų3147.3 Ų47.320%0.20125%0.253CS..SBendtrans-69.1144.2174.328.6-33000111V237 G241 I273V237-P329 HydrophobicContact CB-CB 4.08Å; V237-P329 HydrophobicContact CG1-CB 4.4Å; G241-P329 VanDerWaalsContact O-CA 3.31Å; G241-P329 WeakPolarHBondContact O-CA 3.45Å; G241-P329 WeakPolarHBondContact O-CB 3.37Å; I273-P329 HydrophobicContact CD1-CB 4.47Å; I273-P329 HydrophobicContact CD1-CG 4.03Å; I273-P329 HydrophobicContact CG1-CG 4.18Å; I273-P329 HydrophobicContact CG2-CB 4.25Å; I273-P329 HydrophobicContact CG2-CG 4.36Å
330S97.4Very high88.9Confident3 Ų343 Ų432%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-154.4158.217559.20000110.9R242 C243R242-S330 WeakPolarHBondContact CA-O 3.29Å; C243-S330 PolarHBondContact N-O 2.93Å
331V98.1Very high89.6Confident0 Ų042.1 Ų42.10%023%0.229CC..EExtended strand (participates in β ladder)trans-113.8123.8171.5-175.20000108.4I233 V237 C243 I245 L260 W264 P274 I275 Y276I233-V331 HydrophobicContact CG2-CG1 4.38Å; I233-V331 HydrophobicContact CG2-CG2 3.62Å; V237-V331 HydrophobicContact CG1-CG2 3.88Å; C243-V331 HydrophobicContact CB-CB 4.49Å; C243-V331 HydrophobicContact CB-CG1 4.28Å; C243-V331 HydrophobicContact CB-CG2 4.19Å; C243-V331 WeakPolarHBondContact O-CA 3.44Å; I245-V331 HydrophobicContact CD1-CG1 3.68Å; L260-V331 HydrophobicContact CD1-CG1 4.5Å; W264-V331 HydrophobicContact CH2-CG2 3.79Å; W264-V331 HydrophobicContact CZ2-CG2 4.08Å; P274-V331 PolarHBondContact O-N 3.27Å; I275-V331 CarbonylContact C-O 3.51Å; I275-V331 WeakPolarHBondContact CA-O 3.44Å; I275-V331 HydrophobicContact CG1-CB 4.21Å; I275-V331 HydrophobicContact CG2-CB 4.32Å; I275-V331 HydrophobicContact CG2-CG1 4.4Å; Y276-V331 PolarHBondContact N-O 3.38Å
332V96.7Very high90.2Very high0 Ų040.1 Ų40.10%022%0.222CC..EExtended strand (participates in β ladder)trans-125119.1-179-175.60000110.5C243 I245 Y276 A278 F324 A334 L347 W351C243-V332 PolarHBondContact O-N 3.09Å; I245-V332 PolarHBondContact N-O 3.09Å; Y276-V332 HydrophobicContact CD2-CG2 4.01Å; Y276-V332 WeakPolarHBondContact O-CA 3.12Å; A278-V332 HydrophobicContact CB-CG1 3.8Å; F324-V332 HydrophobicContact CE2-CG2 4.19Å; F324-V332 HydrophobicContact CZ-CG2 4.18Å; V332-A334 HydrophobicContact CG1-CB 4.35Å; V332-L347 HydrophobicContact CB-CD1 4.32Å; V332-L347 HydrophobicContact CG1-CD1 3.56Å; V332-W351 HydrophobicContact CB-CH2 3.81Å; V332-W351 HydrophobicContact CB-CZ3 4.32Å; V332-W351 HydrophobicContact CG2-CH2 3.56Å; V332-W351 HydrophobicContact CG2-CZ2 4.35Å; V332-W351 HydrophobicContact CG2-CZ3 4.48Å
333M95.6Very high90.8Very high0 Ų034.4 Ų34.40%019%0.191CC..EExtended strand (participates in β ladder)trans-95115.7169.8-65.7179.166.800109.1I245 V247 A253 L256 L257 L260 Y276 Y277 A278I245-M333 HydrophobicContact CB-CG 3.97Å; I245-M333 HydrophobicContact CD1-CG 4.04Å; I245-M333 HydrophobicContact CG2-CG 4.33Å; I245-M333 WeakPolarHBondContact O-CA 3.3Å; V247-M333 HydrophobicContact CG1-CB 4.27Å; V247-M333 HydrophobicContact CG1-CE 3.73Å; A253-M333 HydrophobicContact CB-CE 4.04Å; L256-M333 HydrophobicContact CB-CE 3.66Å; L256-M333 HydrophobicContact CB-SD 4.46Å; L256-M333 HydrophobicContact CD1-CE 4.13Å; L257-M333 HydrophobicContact CD2-CE 4.17Å; L257-M333 HydrophobicContact CD2-SD 3.45Å; L257-M333 WeakPolarHBondContact CD2-SD 3.18Å; L257-M333 HydrophobicContact CG-CE 3.99Å; L257-M333 HydrophobicContact CG-SD 3.9Å; L260-M333 HydrophobicContact CD1-SD 3.85Å; Y276-M333 PolarHBondContact O-N 3.04Å; Y277-M333 HydrophobicContact CD2-CB 4.23Å; A278-M333 WeakPolarHBondContact CA-O 3.38Å; A278-M333 WeakPolarHBondContact CB-O 3.41Å; A278-M333 PolarHBondContact N-O 2.86Å
334A92.2Very high91.6Very high2 Ų228.1 Ų28.12%0.01716%0.162CC..EExtended strand (participates in β ladder)trans-134.3145.7-172.700000112.8L244 I245 P246 V247 A278 V332 L343 S344 L347L244-A334 HydrophobicContact CD1-CB 4.37Å; I245-A334 PolarHBondContact O-N 3.26Å; P246-A334 WeakPolarHBondContact CA-O 3.37Å; V247-A334 PolarHBondContact N-O 3.37Å; V247-A334 CarbonylContact O-C 3.59Å; V247-A334 VanDerWaalsContact O-O 3.06Å; A278-A334 HydrophobicContact CB-CB 4.15Å; V332-A334 HydrophobicContact CG1-CB 4.35Å; A334-L343 HydrophobicContact CB-CG 4.32Å; A334-S344 WeakPolarHBondContact O-CB 3.25Å; A334-L347 HydrophobicContact CB-CD1 3.81Å
335S88.8Confident92.2Very high8 Ų828.4 Ų28.46%0.05616%0.163CC..SBendtrans-89.1153.2173.263.20000112.4D116 V247 L343 S344D116-S335 PolarHBondContact OD2-OG 2.82Å; V247-S335 WeakPolarHBondContact O-CA 3.47Å; V247-S335 PolarHBondContact O-N 3.24Å; S335-L343 PolarHBondContact O-N 3.12Å; S335-S344 PolarHBondContact O-N 2.75Å
336P89.6Confident92.6Very high12 Ų1226.9 Ų26.98%0.07815%0.151CC..  cis-83.6162.7-5.935-35000113.5V120 F248 M338 M339 S341 S344V120-P336 HydrophobicContact CG1-CB 4.47Å; V120-P336 HydrophobicContact CG1-CG 3.99Å; F248-P336 HydrophobicContact CD1-CB 4.22Å; F248-P336 HydrophobicContact CE1-CB 3.68Å; F248-P336 HydrophobicContact CZ-CB 4.27Å; P336-M338 VanDerWaalsContact C-N 3.33Å; P336-M338 PolarHBondContact O-N 2.98Å; P336-M339 PolarHBondContact O-N 3.09Å; P336-S341 WeakPolarHBondContact CD-O 3.35Å; P336-S341 WeakPolarHBondContact CG-O 2.98Å; P336-S344 VanDerWaalsContact CD-OG 3.3Å; P336-S344 WeakPolarHBondContact CD-OG 3.34Å; P336-S344 WeakPolarHBondContact O-CB 3.43Å; P336-S344 PolarHBondContact O-OG 2.77Å
337G90.1Very high92.8Very high11 Ų1124 Ų2411%0.11314%0.136CC..THydrogen-bonded Turntrans-65.4-30-177.900000115.5
338M92.4Very high93.1Very high22 Ų2217.2 Ų17.211%0.10810%0.101CC..THydrogen-bonded Turntrans-95.60.2-177.6-60.8177.7-16900113.7P52 P336 Q340 V366 T369 A371P52-M338 HydrophobicContact CB-CE 4.33Å; P52-M338 HydrophobicContact CB-SD 3.67Å; P52-M338 HydrophobicContact CG-CE 4.28Å; P52-M338 HydrophobicContact CG-SD 4.26Å; P336-M338 VanDerWaalsContact C-N 3.33Å; P336-M338 PolarHBondContact O-N 2.98Å; M338-Q340 VanDerWaalsContact C-N 3.31Å; M338-Q340 PolarHBondContact O-N 3.05Å; M338-V366 HydrophobicContact CE-CB 4.43Å; M338-V366 HydrophobicContact CE-CG2 3.75Å; M338-V366 HydrophobicContact SD-CB 4.26Å; M338-V366 HydrophobicContact SD-CG2 4.19Å; M338-T369 HydrophobicContact CB-CG2 3.95Å; M338-T369 HydrophobicContact CG-CG2 4.33Å; M338-T369 HydrophobicContact SD-CG2 3.78Å; M338-A371 HydrophobicContact CB-CB 4.47Å; M338-A371 PolarHBondContact O-N 2.72Å
339M93.4Very high93.2Very high0 Ų017.5 Ų17.50%010%0.095CC..  trans59.231.2171.6-50.1156.668.500115.7L244 P246 P336 R345 F348 I361 L370 A371 I374L244-M339 HydrophobicContact CD2-CE 4.37Å; P246-M339 HydrophobicContact CB-CG 3.55Å; P246-M339 HydrophobicContact CB-SD 3.94Å; P246-M339 HydrophobicContact CG-CG 4.01Å; P246-M339 HydrophobicContact CG-SD 3.69Å; P336-M339 PolarHBondContact O-N 3.09Å; M339-R345 WeakPolarHBondContact O-CD 3.44Å; M339-R345 PolarHBondContact O-NH1 3.46Å; M339-F348 HydrophobicContact CE-CB 3.37Å; M339-F348 HydrophobicContact CE-CD1 3.8Å; M339-F348 HydrophobicContact CE-CD2 3.28Å; M339-F348 HydrophobicContact CE-CE1 4.39Å; M339-F348 HydrophobicContact CE-CE2 3.94Å; M339-F348 HydrophobicContact CE-CG 3.17Å; M339-F348 HydrophobicContact CE-CZ 4.45Å; M339-I361 HydrophobicContact SD-CD1 3.96Å; M339-L370 HydrophobicContact CB-CB 4.27Å; M339-L370 HydrophobicContact CB-CD2 3.96Å; M339-L370 HydrophobicContact CB-CG 4.43Å; M339-L370 HydrophobicContact CE-CD2 4.08Å; M339-A371 HydrophobicContact SD-CB 4.22Å; M339-I374 HydrophobicContact CE-CD1 4.32Å; M339-I374 HydrophobicContact SD-CD1 4.2Å
340Q88.8Confident93.2Very high69 Ų6919.6 Ų19.632%0.32211%0.11SC..SBendtrans-67.6-40177.4-62.1-66.552.200112.3M338 R345 G368 T369M338-Q340 VanDerWaalsContact C-N 3.31Å; M338-Q340 PolarHBondContact O-N 3.05Å; Q340-R345 PolarHBondContact O-NH1 3.07Å; Q340-R345 VanDerWaalsContact O-NH1 3.09Å; Q340-G368 PolarHBondContact NE2-O 2.86Å; Q340-G368 VanDerWaalsContact NE2-O 3.16Å; Q340-T369 HydrophobicContact CG-CG2 4.43Å
341S88.6Confident93.2Very high15 Ų1519.8 Ų19.811%0.10511%0.11CC..SBendtrans-153.2-172.5179.659.50000110V120 P336V120-S341 WeakPolarHBondContact CG1-OG 3.39Å; V120-S341 PolarHBondContact O-OG 3.08Å; P336-S341 WeakPolarHBondContact CD-O 3.35Å; P336-S341 WeakPolarHBondContact CG-O 2.98Å
342G89Confident93.1Very high11 Ų1119.8 Ų19.811%0.11311%0.11CC..Hα-helixtrans74.1-166.5170.800000114.8S344 R345 E346G342-S344 PolarHBondContact O-N 3.22Å; G342-R345 WeakPolarHBondContact O-CB 3.45Å; G342-R345 PolarHBondContact O-N 3.36Å; G342-R345 VanDerWaalsContact O-N 3.1Å; G342-E346 PolarHBondContact O-N 3.33Å
343L89.9Confident93.2Very high27 Ų2722.9 Ų22.914%0.14113%0.13CC..Hα-helixtrans-65.4-36.3-166.6-175.258.8000113.4A278 M321 A334 S335 R345 E346 L347A278-L343 HydrophobicContact CB-CD2 3.59Å; M321-L343 HydrophobicContact CB-CD1 4.34Å; M321-L343 HydrophobicContact CE-CD1 3.75Å; M321-L343 HydrophobicContact SD-CD1 4.24Å; A334-L343 HydrophobicContact CB-CG 4.32Å; S335-L343 PolarHBondContact O-N 3.12Å; L343-R345 VanDerWaalsContact C-N 3.27Å; L343-R345 PolarHBondContact O-N 2.65Å; L343-E346 PolarHBondContact O-N 2.81Å; L343-L347 HydrophobicContact CD1-CD1 4.28Å; L343-L347 HydrophobicContact CD1-CG 4.2Å; L343-L347 HydrophobicContact CG-CD1 3.98Å; L343-L347 HydrophobicContact CG-CG 4.39Å; L343-L347 WeakPolarHBondContact O-CB 3.37Å; L343-L347 VanDerWaalsContact O-CG 3.32Å; L343-L347 WeakPolarHBondContact O-CG 3.11Å; L343-L347 PolarHBondContact O-N 2.69Å
344S93.3Very high93.3Very high0 Ų025 Ų250%014%0.14CC..Hα-helixtrans-63.5-34.9176.372.10000112.1A334 S335 P336 G342 F348A334-S344 WeakPolarHBondContact O-CB 3.25Å; S335-S344 PolarHBondContact O-N 2.75Å; P336-S344 VanDerWaalsContact CD-OG 3.3Å; P336-S344 WeakPolarHBondContact CD-OG 3.34Å; P336-S344 WeakPolarHBondContact O-CB 3.43Å; P336-S344 PolarHBondContact O-OG 2.77Å; G342-S344 PolarHBondContact O-N 3.22Å; S344-F348 VanDerWaalsContact O-CB 3.3Å; S344-F348 WeakPolarHBondContact O-CB 3.5Å; S344-F348 PolarHBondContact O-N 3.01Å; S344-F348 VanDerWaalsContact O-N 3.1Å
345R94.4Very high93.6Very high24 Ų2432.5 Ų32.59%0.09117%0.173CC..Hα-helixtrans-71.4-44.9175.5178.454.6171.9-82.10.6111.7M339 Q340 G342 L343 F348 E349 L370 T382 M384M339-R345 WeakPolarHBondContact O-CD 3.44Å; M339-R345 PolarHBondContact O-NH1 3.46Å; Q340-R345 PolarHBondContact O-NH1 3.07Å; Q340-R345 VanDerWaalsContact O-NH1 3.09Å; G342-R345 WeakPolarHBondContact O-CB 3.45Å; G342-R345 PolarHBondContact O-N 3.36Å; G342-R345 VanDerWaalsContact O-N 3.1Å; L343-R345 VanDerWaalsContact C-N 3.27Å; L343-R345 PolarHBondContact O-N 2.65Å; R345-F348 WeakPolarHBondContact O-CB 3.19Å; R345-F348 PolarHBondContact O-N 2.96Å; R345-E349 IonicContact CZ-OE1 3.31Å; R345-E349 IonicContact NE-OE1 3.79Å; R345-E349 PolarHBondContact NE-OE1 2.91Å; R345-E349 IonicContact NH2-OE1 2.8Å; R345-E349 WeakPolarHBondContact O-CG 3.48Å; R345-E349 PolarHBondContact O-N 3.28Å; R345-L370 VanDerWaalsContact CD-CD2 3.45Å; R345-T382 PolarHBondContact NH2-O 3.07Å; R345-M384 HydrophobicContact CB-SD 4.36Å; R345-M384 HydrophobicContact CG-CG 3.75Å; R345-M384 HydrophobicContact CG-SD 3.55Å; R345-M384 VanDerWaalsContact CG-SD 3.55Å
346E93.2Very high94Very high94 Ų9436.5 Ų36.544%0.43919%0.187SC..Hα-helixtrans-61.6-44.4177.8-69.3172.5-165.700112.5M321 G342 L343 E349 S350M321-E346 HydrophobicContact CE-CB 4.1Å; G342-E346 PolarHBondContact O-N 3.33Å; L343-E346 PolarHBondContact O-N 2.81Å; E346-E349 PolarHBondContact O-N 3.03Å; E346-S350 WeakPolarHBondContact O-CB 3.44Å; E346-S350 PolarHBondContact O-N 2.79Å; E346-S350 PolarHBondContact O-OG 3.48Å
347L95.1Very high94.5Very high2 Ų236.1 Ų36.11%0.0118%0.184CC..Hα-helixtrans-62.8-43.5175-73.4167.1000111.2L244 M321 F324 V332 A334 L343 S350 W351L244-L347 HydrophobicContact CD1-CB 3.94Å; L244-L347 HydrophobicContact CD1-CD1 3.93Å; L244-L347 HydrophobicContact CD2-CB 4.37Å; M321-L347 HydrophobicContact CE-CD2 3.53Å; M321-L347 HydrophobicContact CE-CG 3.78Å; M321-L347 HydrophobicContact SD-CD2 3.59Å; M321-L347 VanDerWaalsContact SD-CD2 3.59Å; M321-L347 HydrophobicContact SD-CG 4.35Å; F324-L347 HydrophobicContact CE1-CD2 4.48Å; V332-L347 HydrophobicContact CB-CD1 4.32Å; V332-L347 HydrophobicContact CG1-CD1 3.56Å; A334-L347 HydrophobicContact CB-CD1 3.81Å; L343-L347 HydrophobicContact CD1-CD1 4.28Å; L343-L347 HydrophobicContact CD1-CG 4.2Å; L343-L347 HydrophobicContact CG-CD1 3.98Å; L343-L347 HydrophobicContact CG-CG 4.39Å; L343-L347 WeakPolarHBondContact O-CB 3.37Å; L343-L347 VanDerWaalsContact O-CG 3.32Å; L343-L347 WeakPolarHBondContact O-CG 3.11Å; L343-L347 PolarHBondContact O-N 2.69Å; L347-S350 PolarHBondContact O-N 2.69Å; L347-W351 HydrophobicContact CB-CE3 4.48Å; L347-W351 HydrophobicContact CD2-CH2 3.93Å; L347-W351 HydrophobicContact CD2-CZ2 3.61Å; L347-W351 VanDerWaalsContact O-CB 3.31Å; L347-W351 WeakPolarHBondContact O-CB 3.45Å; L347-W351 VanDerWaalsContact O-CG 3.24Å; L347-W351 PolarHBondContact O-N 3Å
348F97.3Very high94.9Very high0 Ų035.6 Ų35.60%018%0.179CC..Hα-helixtrans-60.5-48.6177.4176.8-101.5000112.3L244 M339 S344 R345 S350 W351 C352 V359 L370 I374 I381 L391 M393L244-F348 HydrophobicContact CD2-CB 3.7Å; L244-F348 HydrophobicContact CD2-CD2 4.37Å; M339-F348 HydrophobicContact CE-CB 3.37Å; M339-F348 HydrophobicContact CE-CD1 3.8Å; M339-F348 HydrophobicContact CE-CD2 3.28Å; M339-F348 HydrophobicContact CE-CE1 4.39Å; M339-F348 HydrophobicContact CE-CE2 3.94Å; M339-F348 HydrophobicContact CE-CG 3.17Å; M339-F348 HydrophobicContact CE-CZ 4.45Å; S344-F348 VanDerWaalsContact O-CB 3.3Å; S344-F348 WeakPolarHBondContact O-CB 3.5Å; S344-F348 PolarHBondContact O-N 3.01Å; S344-F348 VanDerWaalsContact O-N 3.1Å; R345-F348 WeakPolarHBondContact O-CB 3.19Å; R345-F348 PolarHBondContact O-N 2.96Å; F348-S350 PolarHBondContact O-N 3.08Å; F348-W351 PolarHBondContact O-N 2.89Å; F348-W351 VanDerWaalsContact O-N 3.14Å; F348-C352 HydrophobicContact CD2-CB 4.49Å; F348-C352 HydrophobicContact CE1-CB 4.24Å; F348-C352 HydrophobicContact CE2-CB 4.21Å; F348-C352 HydrophobicContact CZ-CB 4.08Å; F348-C352 WeakPolarHBondContact O-CB 3.48Å; F348-C352 PolarHBondContact O-N 2.68Å; F348-V359 HydrophobicContact CE2-CG1 4.26Å; F348-L370 HydrophobicContact CD1-CD2 3.86Å; F348-L370 HydrophobicContact CE1-CD1 4.5Å; F348-L370 HydrophobicContact CE1-CD2 3.95Å; F348-I374 HydrophobicContact CE1-CG2 4.41Å; F348-I374 HydrophobicContact CE2-CD1 4.1Å; F348-I374 HydrophobicContact CE2-CG2 4.5Å; F348-I374 HydrophobicContact CZ-CD1 4.39Å; F348-I374 HydrophobicContact CZ-CG2 3.78Å; F348-I381 HydrophobicContact CE1-CB 4.44Å; F348-I381 HydrophobicContact CE1-CD1 4Å; F348-I381 HydrophobicContact CE1-CG1 3.91Å; F348-I381 HydrophobicContact CE1-CG2 4.37Å; F348-I381 HydrophobicContact CZ-CG1 4.47Å; F348-I381 HydrophobicContact CZ-CG2 4.4Å; F348-L391 HydrophobicContact CE2-CD1 4.07Å; F348-L391 HydrophobicContact CZ-CD1 3.75Å; F348-M393 HydrophobicContact CD2-SD 3.57Å; F348-M393 VanDerWaalsContact CD2-SD 3.57Å; F348-M393 HydrophobicContact CE2-SD 3.46Å; F348-M393 WeakPolarHBondContact CE2-SD 3.36Å; F348-M393 HydrophobicContact CZ-SD 4.5Å
349E96.8Very high95.1Very high37 Ų3734.6 Ų34.617%0.17317%0.174CC..Hα-helixtrans-59.9-38.6177.7-71.2-179.2-174.700111.5R345 E346 W351 C352 T383 M384 L389R345-E349 IonicContact CZ-OE1 3.31Å; R345-E349 IonicContact NE-OE1 3.79Å; R345-E349 PolarHBondContact NE-OE1 2.91Å; R345-E349 IonicContact NH2-OE1 2.8Å; R345-E349 WeakPolarHBondContact O-CG 3.48Å; R345-E349 PolarHBondContact O-N 3.28Å; E346-E349 PolarHBondContact O-N 3.03Å; E349-W351 VanDerWaalsContact C-N 3.34Å; E349-W351 PolarHBondContact O-N 3.24Å; E349-C352 PolarHBondContact O-SG 3.3Å; E349-C352 VanDerWaalsContact O-SG 3.37Å; E349-T383 HydrophobicContact CG-CG2 4.19Å; E349-T383 WeakPolarHBondContact OE1-CA 2.98Å; E349-T383 WeakPolarHBondContact OE1-CB 3.43Å; E349-T383 WeakPolarHBondContact OE2-CB 3.3Å; E349-M384 PolarHBondContact OE1-N 3.01Å; E349-L389 HydrophobicContact CB-CD1 4.17Å; E349-L389 WeakPolarHBondContact O-CD1 3.38Å
350S95.6Very high95.4Very high75 Ų7534.6 Ų34.652%0.52417%0.174SC..Hα-helixtrans-67.4-32.8177.4-56.90000113E346 L347 F348E346-S350 WeakPolarHBondContact O-CB 3.44Å; E346-S350 PolarHBondContact O-N 2.79Å; E346-S350 PolarHBondContact O-OG 3.48Å; L347-S350 PolarHBondContact O-N 2.69Å; F348-S350 PolarHBondContact O-N 3.08Å
351W97.6Very high95.8Very high6 Ų631.4 Ų31.42%0.02316%0.159CC..Hα-helixtrans-104.2-19.1-170.6-66.3-10.1000114.9R242 L244 F324 D326 V332 L347 F348 E349 T353 D354 N357R242-W351 HydrophobicContact CB-CD2 3.75Å; R242-W351 HydrophobicContact CB-CE3 3.7Å; R242-W351 HydrophobicContact CB-CG 4.47Å; R242-W351 HydrophobicContact CB-CH2 3.72Å; R242-W351 HydrophobicContact CB-CZ2 3.76Å; R242-W351 HydrophobicContact CB-CZ3 3.7Å; R242-W351 HydrophobicContact CG-CD2 4.3Å; R242-W351 HydrophobicContact CG-CH2 4.22Å; R242-W351 HydrophobicContact CG-CZ2 3.82Å; L244-W351 HydrophobicContact CB-CE3 3.84Å; L244-W351 HydrophobicContact CB-CZ3 3.73Å; L244-W351 HydrophobicContact CD1-CZ3 4.15Å; L244-W351 HydrophobicContact CG-CZ3 4.48Å; F324-W351 AromaticContact CE1-CZ2 3.97Å; F324-W351 HydrophobicContact CE1-CZ2 3.97Å; F324-W351 HydrophobicContact CZ-CZ2 4.06Å; D326-W351 PolarHBondContact OD2-NE1 3.3Å; V332-W351 HydrophobicContact CB-CH2 3.81Å; V332-W351 HydrophobicContact CB-CZ3 4.32Å; V332-W351 HydrophobicContact CG2-CH2 3.56Å; V332-W351 HydrophobicContact CG2-CZ2 4.35Å; V332-W351 HydrophobicContact CG2-CZ3 4.48Å; L347-W351 HydrophobicContact CB-CE3 4.48Å; L347-W351 HydrophobicContact CD2-CH2 3.93Å; L347-W351 HydrophobicContact CD2-CZ2 3.61Å; L347-W351 VanDerWaalsContact O-CB 3.31Å; L347-W351 WeakPolarHBondContact O-CB 3.45Å; L347-W351 VanDerWaalsContact O-CG 3.24Å; L347-W351 PolarHBondContact O-N 3Å; F348-W351 PolarHBondContact O-N 2.89Å; F348-W351 VanDerWaalsContact O-N 3.14Å; E349-W351 VanDerWaalsContact C-N 3.34Å; E349-W351 PolarHBondContact O-N 3.24Å; W351-T353 PolarHBondContact O-N 3.38Å; W351-T353 VanDerWaalsContact O-N 3.11Å; W351-D354 PolarHBondContact O-N 2.93Å; W351-N357 WeakPolarHBondContact CA-ND2 3.48Å; W351-N357 HydrophobicContact CB-CB 4.25Å; W351-N357 WeakPolarHBondContact CB-ND2 3.25Å; W351-N357 PolarHBondContact O-ND2 2.75Å
352C97.7Very high96Very high0 Ų030.9 Ų30.90%016%0.155CC..THydrogen-bonded Turntrans-62.2-23.9-170.3650000114.9F348 E349 L391 K392 M393F348-C352 HydrophobicContact CD2-CB 4.49Å; F348-C352 HydrophobicContact CE1-CB 4.24Å; F348-C352 HydrophobicContact CE2-CB 4.21Å; F348-C352 HydrophobicContact CZ-CB 4.08Å; F348-C352 WeakPolarHBondContact O-CB 3.48Å; F348-C352 PolarHBondContact O-N 2.68Å; E349-C352 PolarHBondContact O-SG 3.3Å; E349-C352 VanDerWaalsContact O-SG 3.37Å; C352-L391 HydrophobicContact CB-CD1 4.03Å; C352-K392 PolarHBondContact O-N 3.27Å; C352-M393 VanDerWaalsContact CA-SD 3.5Å; C352-M393 HydrophobicContact CB-CG 4.41Å; C352-M393 HydrophobicContact CB-SD 3.88Å; C352-M393 PolarHBondContact O-N 3.38Å
353T97.8Very high96Very high66 Ų6631.7 Ų31.741%0.40516%0.164SC..THydrogen-bonded Turntrans-85.8-9.7-17661.80000114.4W351 L389 K392W351-T353 PolarHBondContact O-N 3.38Å; W351-T353 VanDerWaalsContact O-N 3.11Å; T353-L389 HydrophobicContact CG2-CB 4.15Å; T353-L389 HydrophobicContact CG2-CD2 4.33Å; T353-K392 WeakPolarHBondContact O-CD 3.45Å
354D98.1Very high95.9Very high43 Ų4332.6 Ų32.623%0.2317%0.165CC..  trans-102.8122.4176-170.6-24.3000110.7W351 R356 N357W351-D354 PolarHBondContact O-N 2.93Å; D354-R356 PolarHBondContact O-N 3.05Å; D354-R356 WeakPolarHBondContact OD1-CB 3.14Å; D354-R356 WeakPolarHBondContact OD1-CG 3.27Å; D354-R356 PolarHBondContact OD1-N 2.71Å; D354-R356 IonicContact OD1-NE 3.54Å; D354-R356 PolarHBondContact OD1-NE 2.88Å; D354-R356 IonicContact OD2-CZ 3.94Å; D354-R356 IonicContact OD2-NE 3.61Å; D354-R356 PolarHBondContact OD2-NE 3.09Å; D354-R356 VanDerWaalsContact OD2-NE 3.12Å; D354-R356 IonicContact OD2-NH2 3.81Å; D354-R356 PolarHBondContact OD2-NH2 2.87Å; D354-N357 PolarHBondContact O-N 2.93Å; D354-N357 VanDerWaalsContact O-N 3.12Å
355K97.9Very high95.7Very high160 Ų16032.9 Ų32.970%0.69617%0.167SC*.THydrogen-bonded Turntrans-65.9-14.9-179.467.6177.4-177.2176.10114.9N357 K392K355-N357 VanDerWaalsContact C-N 3.34Å; K355-K392 WeakPolarHBondContact CA-O 3.28Å; K355-K392 HydrophobicContact CB-CB 4.3Å
356R98.2Very high95.4Very high92 Ų9232 Ų3235%0.34717%0.165SC..THydrogen-bonded Turntrans-75.8-27.7174.7-64.2177.5-66.8168.23.2111.3R239 G241 D354R239-R356 HydrophobicContact CG-CB 4.49Å; R239-R356 PolarHBondContact NE-O 2.97Å; R239-R356 PolarHBondContact NH2-O 2.87Å; R239-R356 WeakPolarHBondContact O-CD 3.33Å; G241-R356 WeakPolarHBondContact CA-O 3.17Å; D354-R356 PolarHBondContact O-N 3.05Å; D354-R356 WeakPolarHBondContact OD1-CB 3.14Å; D354-R356 WeakPolarHBondContact OD1-CG 3.27Å; D354-R356 PolarHBondContact OD1-N 2.71Å; D354-R356 IonicContact OD1-NE 3.54Å; D354-R356 PolarHBondContact OD1-NE 2.88Å; D354-R356 IonicContact OD2-CZ 3.94Å; D354-R356 IonicContact OD2-NE 3.61Å; D354-R356 PolarHBondContact OD2-NE 3.09Å; D354-R356 VanDerWaalsContact OD2-NE 3.12Å; D354-R356 IonicContact OD2-NH2 3.81Å; D354-R356 PolarHBondContact OD2-NH2 2.87Å
357N98.6Very high95.1Very high5 Ų533.4 Ų33.43%0.02717%0.171CC..  trans-74.9161.9-178.4-61-22000111R239 R242 W351 D354 K355 M393 S394R239-N357 PolarHBondContact NH2-O 3.34Å; R242-N357 VanDerWaalsContact CD-OD1 3.23Å; R242-N357 WeakPolarHBondContact CD-OD1 3.36Å; R242-N357 PolarHBondContact N-OD1 2.97Å; R242-N357 WeakPolarHBondContact O-CA 3.27Å; R242-N357 WeakPolarHBondContact O-CB 3.4Å; W351-N357 WeakPolarHBondContact CA-ND2 3.48Å; W351-N357 HydrophobicContact CB-CB 4.25Å; W351-N357 WeakPolarHBondContact CB-ND2 3.25Å; W351-N357 PolarHBondContact O-ND2 2.75Å; D354-N357 PolarHBondContact O-N 2.93Å; D354-N357 VanDerWaalsContact O-N 3.12Å; K355-N357 VanDerWaalsContact C-N 3.34Å; N357-M393 HydrophobicContact CB-CB 4.04Å; N357-M393 HydrophobicContact CB-CE 4.14Å; N357-M393 WeakPolarHBondContact O-CA 3.33Å; N357-M393 WeakPolarHBondContact O-CB 3.37Å; N357-S394 PolarHBondContact O-N 3.22Å
358G98.4Very high94.7Very high0 Ų036.2 Ų36.20%020%0.2CC..EExtended strand (participates in β ladder)trans-147.9149.7176.200000111.7R242 C243 L244 M393 S394R242-G358 PolarHBondContact O-N 3.38Å; C243-G358 WeakPolarHBondContact CA-O 3.29Å; L244-G358 PolarHBondContact N-O 3.44Å; G358-M393 WeakPolarHBondContact O-CE 3.41Å; G358-S394 CarbonylContact C-O 3.52Å; G358-S394 WeakPolarHBondContact CA-O 3.14Å; G358-S394 WeakPolarHBondContact CA-OG 3.32Å
359V98.4Very high94.5Very high0 Ų036.4 Ų36.40%020%0.202CC..EExtended strand (participates in β ladder)trans-122129.617660.40000108.8L244 P246 F348 I361 I374 M393 S394 V395 D396L244-V359 HydrophobicContact CB-CB 4.33Å; L244-V359 HydrophobicContact CB-CG2 4.19Å; L244-V359 HydrophobicContact CD2-CG2 4.19Å; L244-V359 HydrophobicContact CG-CG2 4.26Å; L244-V359 CarbonylContact O-C 3.57Å; L244-V359 VanDerWaalsContact O-CA 3.29Å; L244-V359 WeakPolarHBondContact O-CA 3.49Å; P246-V359 HydrophobicContact CG-CG2 4.1Å; F348-V359 HydrophobicContact CE2-CG1 4.26Å; V359-I361 HydrophobicContact CG2-CD1 3.84Å; V359-I374 HydrophobicContact CG1-CD1 4.13Å; V359-M393 HydrophobicContact CB-CE 3.63Å; V359-M393 HydrophobicContact CB-SD 4.23Å; V359-M393 HydrophobicContact CG1-CE 4.01Å; V359-M393 HydrophobicContact CG1-CG 4.43Å; V359-M393 HydrophobicContact CG1-SD 4.05Å; V359-S394 PolarHBondContact N-O 3.41Å; V359-V395 HydrophobicContact CG1-CB 4.17Å; V359-V395 HydrophobicContact CG1-CG1 4.17Å; V359-V395 HydrophobicContact CG1-CG2 3.78Å; V359-D396 PolarHBondContact O-N 3.16Å
360I98.1Very high94.4Very high0 Ų035.4 Ų35.40%020%0.197CC..EExtended strand (participates in β ladder)trans-112.7108.5179.5-55.7178.1000108.9F229 T232 I233 I236 L244 I245 P246 A362 D396 I398F229-I360 HydrophobicContact CD2-CD1 4.48Å; F229-I360 HydrophobicContact CD2-CG2 4.07Å; F229-I360 HydrophobicContact CE2-CD1 4.43Å; F229-I360 HydrophobicContact CE2-CG2 4.09Å; T232-I360 HydrophobicContact CG2-CD1 3.69Å; T232-I360 HydrophobicContact CG2-CG1 4.02Å; I233-I360 HydrophobicContact CD1-CD1 4.05Å; I233-I360 HydrophobicContact CG1-CD1 3.32Å; I236-I360 HydrophobicContact CD1-CD1 4.39Å; I236-I360 HydrophobicContact CD1-CG1 4.42Å; L244-I360 PolarHBondContact O-N 3.41Å; I245-I360 HydrophobicContact CG1-CB 4.43Å; P246-I360 WeakPolarHBondContact CD-O 3.3Å; I360-A362 PolarHBondContact O-N 3.49Å; I360-D396 CarbonylContact C-O 3.57Å; I360-D396 WeakPolarHBondContact CA-O 3.43Å; I360-D396 HydrophobicContact CG1-CB 4.39Å; I360-I398 HydrophobicContact CG2-CB 4.26Å; I360-I398 HydrophobicContact CG2-CD1 3.97Å; I360-I398 HydrophobicContact CG2-CG1 4.05Å
361I96.8Very high94.4Very high3 Ų331.8 Ų31.82%0.01517%0.172CC..EExtended strand (participates in β ladder)trans-83.6112.6175.3-51.3-55.7000109P246 M339 V359 A371 I374 M375 D396 Y397 I398P246-I361 HydrophobicContact CG-CD1 3.33Å; M339-I361 HydrophobicContact SD-CD1 3.96Å; V359-I361 HydrophobicContact CG2-CD1 3.84Å; I361-A371 HydrophobicContact CD1-CB 4.26Å; I361-I374 HydrophobicContact CD1-CD1 4.15Å; I361-I374 HydrophobicContact CG1-CD1 4.39Å; I361-M375 HydrophobicContact CB-CE 3.75Å; I361-M375 HydrophobicContact CG1-CE 4.12Å; I361-M375 HydrophobicContact CG2-CE 3.39Å; I361-D396 PolarHBondContact N-O 3.32Å; I361-Y397 HydrophobicContact CB-CD2 4.08Å; I361-Y397 HydrophobicContact CG2-CD2 4.16Å; I361-Y397 HydrophobicContact CG2-CE2 4.38Å; I361-Y397 VanDerWaalsContact O-CD2 3.25Å; I361-Y397 WeakPolarHBondContact O-CD2 3.46Å; I361-I398 PolarHBondContact O-N 3.1Å
362A93.9Very high94.2Very high3 Ų334.9 Ų34.93%0.02519%0.186CC..  trans-101.7-14.2-173.400000114.9L256 I360 I398 F400L256-A362 HydrophobicContact CD1-CB 3.76Å; I360-A362 PolarHBondContact O-N 3.49Å; A362-I398 VanDerWaalsContact CA-O 3.31Å; A362-I398 WeakPolarHBondContact CA-O 3.46Å; A362-F400 HydrophobicContact CB-CD2 4.31Å; A362-F400 CarbonylContact O-C 3.54Å; A362-F400 WeakPolarHBondContact O-CA 3.41Å; A362-F400 PolarHBondContact O-N 2.86Å
363G89Confident94.1Very high28 Ų2839.2 Ų39.229%0.28921%0.206SC..SBendtrans-111.8173.5-17900000113.2Y397 S401G363-Y397 WeakPolarHBondContact O-CE2 3.41Å; G363-S401 VanDerWaalsContact C-OG 3.3Å
364Y87.8Confident94Very high46 Ų4636.1 Ų36.118%0.1819%0.187CC..  trans-68.1131.9169.9-175.6-87.8000109.5V30 T213 Y214 V366 S401V30-Y364 HydrophobicContact CB-CE1 3.91Å; V30-Y364 HydrophobicContact CG1-CD1 3.97Å; V30-Y364 HydrophobicContact CG1-CE1 3.67Å; V30-Y364 HydrophobicContact CG2-CE1 4.01Å; T213-Y364 HydrophobicContact CG2-CD2 3.84Å; T213-Y364 HydrophobicContact CG2-CE2 4.08Å; T213-Y364 HydrophobicContact CG2-CG 4.23Å; Y214-Y364 AromaticContact CE2-CD2 4Å; Y214-Y364 HydrophobicContact CE2-CD2 4Å; Y214-Y364 AromaticContact CZ-CD2 3.85Å; Y364-V366 HydrophobicContact CD1-CG2 4.17Å; Y364-V366 HydrophobicContact CE1-CG2 4.11Å; Y364-S401 PolarHBondContact N-OG 3.46Å
365S89.6Confident93.8Very high6 Ų636.7 Ų36.74%0.04219%0.189CC..  trans-106.5117.2178.4-61.90000109.9A371 M375S365-A371 WeakPolarHBondContact OG-CB 3.48Å; S365-M375 WeakPolarHBondContact OG-CE 3.24Å
366V88.3Confident93.6Very high5 Ų533.1 Ų33.13%0.0318%0.184CC..  trans-71.5146.8177.4-179.40000110.1V30 M338 Y364 T369 K372V30-V366 HydrophobicContact CG1-CG2 4.1Å; M338-V366 HydrophobicContact CE-CB 4.43Å; M338-V366 HydrophobicContact CE-CG2 3.75Å; M338-V366 HydrophobicContact SD-CB 4.26Å; M338-V366 HydrophobicContact SD-CG2 4.19Å; Y364-V366 HydrophobicContact CD1-CG2 4.17Å; Y364-V366 HydrophobicContact CE1-CG2 4.11Å; V366-T369 HydrophobicContact CB-CG2 4.31Å; V366-T369 WeakPolarHBondContact O-CB 3.32Å; V366-T369 VanDerWaalsContact O-CG2 3.27Å; V366-T369 WeakPolarHBondContact O-CG2 3.35Å; V366-T369 PolarHBondContact O-N 3.45Å; V366-T369 PolarHBondContact O-OG1 2.98Å; V366-K372 WeakPolarHBondContact O-CB 3.22Å
367E86.8Confident93.4Very high125 Ų12536.1 Ų36.158%0.58420%0.202SC*.THydrogen-bonded Turntrans-56.9145173-71.5-63.5163.200111.7K372E367-K372 WeakPolarHBondContact OE1-CE 3.28Å; E367-K372 IonicContact OE1-NZ 3.79Å
368G86.4Confident93.3Very high60 Ų6036.9 Ų36.962%0.61921%0.207SC*.THydrogen-bonded Turntrans83.57.5-174.600000115Q340Q340-G368 PolarHBondContact NE2-O 2.86Å; Q340-G368 VanDerWaalsContact NE2-O 3.16Å
369T92.1Very high93.1Very high5 Ų545.2 Ų45.23%0.03125%0.246CC..SBendtrans-106.3152.6177.468.60000113M338 Q340 V366 A371 K372 H373M338-T369 HydrophobicContact CB-CG2 3.95Å; M338-T369 HydrophobicContact CG-CG2 4.33Å; M338-T369 HydrophobicContact SD-CG2 3.78Å; Q340-T369 HydrophobicContact CG-CG2 4.43Å; V366-T369 HydrophobicContact CB-CG2 4.31Å; V366-T369 WeakPolarHBondContact O-CB 3.32Å; V366-T369 VanDerWaalsContact O-CG2 3.27Å; V366-T369 WeakPolarHBondContact O-CG2 3.35Å; V366-T369 PolarHBondContact O-N 3.45Å; V366-T369 PolarHBondContact O-OG1 2.98Å; T369-A371 VanDerWaalsContact C-N 3.31Å; T369-A371 PolarHBondContact O-N 3.44Å; T369-K372 PolarHBondContact O-N 2.8Å; T369-K372 WeakPolarHBondContact OG1-CB 3.11Å; T369-K372 PolarHBondContact OG1-N 3.06Å; T369-H373 PolarHBondContact O-N 3.46Å
370L94.8Very high93Very high15 Ų1549.3 Ų49.38%0.07927%0.265CS..Hα-helixtrans-58.8-43.7175.3179.865000111.6M339 R345 F348 K372 H373 I374M339-L370 HydrophobicContact CB-CB 4.27Å; M339-L370 HydrophobicContact CB-CD2 3.96Å; M339-L370 HydrophobicContact CB-CG 4.43Å; M339-L370 HydrophobicContact CE-CD2 4.08Å; R345-L370 VanDerWaalsContact CD-CD2 3.45Å; F348-L370 HydrophobicContact CD1-CD2 3.86Å; F348-L370 HydrophobicContact CE1-CD1 4.5Å; F348-L370 HydrophobicContact CE1-CD2 3.95Å; L370-K372 PolarHBondContact O-N 3.14Å; L370-H373 PolarHBondContact O-N 3.24Å; L370-H373 VanDerWaalsContact O-N 3.08Å; L370-I374 HydrophobicContact CD1-CG2 3.81Å; L370-I374 HydrophobicContact CG-CG2 4.18Å; L370-I374 WeakPolarHBondContact O-CG2 3.47Å; L370-I374 PolarHBondContact O-N 3.29Å
371A95.3Very high92.9Very high0 Ų049.4 Ų49.40%027%0.266CS..Hα-helixtrans-59.4-33.1178.900000112.8M338 M339 I361 S365 T369 I374 M375M338-A371 HydrophobicContact CB-CB 4.47Å; M338-A371 PolarHBondContact O-N 2.72Å; M339-A371 HydrophobicContact SD-CB 4.22Å; I361-A371 HydrophobicContact CD1-CB 4.26Å; S365-A371 WeakPolarHBondContact OG-CB 3.48Å; T369-A371 VanDerWaalsContact C-N 3.31Å; T369-A371 PolarHBondContact O-N 3.44Å; A371-I374 WeakPolarHBondContact O-CG1 3.48Å; A371-M375 WeakPolarHBondContact O-CG 3.43Å
372K94.5Very high92.9Very high70 Ų7053 Ų5330%0.30429%0.288SS..Hα-helixtrans-75-40.6173.5-174.158.5167.4-175.40112V366 E367 T369 L370 M375V366-K372 WeakPolarHBondContact O-CB 3.22Å; E367-K372 WeakPolarHBondContact OE1-CE 3.28Å; E367-K372 IonicContact OE1-NZ 3.79Å; T369-K372 PolarHBondContact O-N 2.8Å; T369-K372 WeakPolarHBondContact OG1-CB 3.11Å; T369-K372 PolarHBondContact OG1-N 3.06Å; L370-K372 PolarHBondContact O-N 3.14Å; K372-M375 HydrophobicContact CD-SD 4.36Å; K372-M375 WeakPolarHBondContact O-CB 3.13Å; K372-M375 PolarHBondContact O-N 3.28Å
373H94.8Very high92.9Very high92 Ų9253.3 Ų53.343%0.42629%0.289SS..Hα-helixtrans-62.7-43.6179.9179.348.2000112.8T369 L370 M375 S376T369-H373 PolarHBondContact O-N 3.46Å; L370-H373 PolarHBondContact O-N 3.24Å; L370-H373 VanDerWaalsContact O-N 3.08Å; H373-M375 PolarHBondContact O-N 3.16Å; H373-S376 PolarHBondContact O-N 3.5Å; H373-S376 VanDerWaalsContact O-N 3.13Å; H373-S376 PolarHBondContact O-OG 2.7Å
374I96.4Very high93Very high0 Ų055.9 Ų55.90%030%0.295CS..G310 helixtrans-69-18.3-177.264.2175.2000113.6M339 F348 V359 I361 L370 A371 S376 E377 I381 L391 V395M339-I374 HydrophobicContact CE-CD1 4.32Å; M339-I374 HydrophobicContact SD-CD1 4.2Å; F348-I374 HydrophobicContact CE1-CG2 4.41Å; F348-I374 HydrophobicContact CE2-CD1 4.1Å; F348-I374 HydrophobicContact CE2-CG2 4.5Å; F348-I374 HydrophobicContact CZ-CD1 4.39Å; F348-I374 HydrophobicContact CZ-CG2 3.78Å; V359-I374 HydrophobicContact CG1-CD1 4.13Å; I361-I374 HydrophobicContact CD1-CD1 4.15Å; I361-I374 HydrophobicContact CG1-CD1 4.39Å; L370-I374 HydrophobicContact CD1-CG2 3.81Å; L370-I374 HydrophobicContact CG-CG2 4.18Å; L370-I374 WeakPolarHBondContact O-CG2 3.47Å; L370-I374 PolarHBondContact O-N 3.29Å; A371-I374 WeakPolarHBondContact O-CG1 3.48Å; I374-S376 PolarHBondContact O-N 3.49Å; I374-E377 PolarHBondContact O-N 3.39Å; I374-E377 VanDerWaalsContact O-N 3.09Å; I374-I381 HydrophobicContact CG2-CG2 4.12Å; I374-L391 HydrophobicContact CB-CD2 4.44Å; I374-L391 HydrophobicContact CG2-CD2 4.49Å; I374-V395 HydrophobicContact CD1-CG1 4.18Å; I374-V395 HydrophobicContact CG1-CG1 4.11Å
375M94.2Very high93.1Very high56 Ų5658.3 Ų58.328%0.27632%0.319SS..G310 helixtrans-68.2-18174-67.3177.5-176.700112.8I361 S365 A371 K372 H373 E377 Y397I361-M375 HydrophobicContact CB-CE 3.75Å; I361-M375 HydrophobicContact CG1-CE 4.12Å; I361-M375 HydrophobicContact CG2-CE 3.39Å; S365-M375 WeakPolarHBondContact OG-CE 3.24Å; A371-M375 WeakPolarHBondContact O-CG 3.43Å; K372-M375 HydrophobicContact CD-SD 4.36Å; K372-M375 WeakPolarHBondContact O-CB 3.13Å; K372-M375 PolarHBondContact O-N 3.28Å; H373-M375 PolarHBondContact O-N 3.16Å; M375-E377 PolarHBondContact O-N 3.48Å; M375-Y397 HydrophobicContact CE-CD2 3.35Å; M375-Y397 HydrophobicContact CE-CE2 3.71Å; M375-Y397 HydrophobicContact CE-CG 4.08Å; M375-Y397 HydrophobicContact SD-CD2 4.33Å
376S93.9Very high93.3Very high84 Ų8460.6 Ų60.659%0.58734%0.343SS*.G310 helixtrans-85.18172.4750000113H373 I374H373-S376 PolarHBondContact O-N 3.5Å; H373-S376 VanDerWaalsContact O-N 3.13Å; H373-S376 PolarHBondContact O-OG 2.7Å; I374-S376 PolarHBondContact O-N 3.49Å
377E92.9Very high93.6Very high155 Ų15566 Ų6672%0.72437%0.368SS*.  trans49.858-179.7-61.4-179.1-16300113.8I374 M375I374-E377 PolarHBondContact O-N 3.39Å; I374-E377 VanDerWaalsContact O-N 3.09Å; M375-E377 PolarHBondContact O-N 3.48Å
378P96.1Very high94Very high22 Ų2266.4 Ų66.414%0.14337%0.368CS..  trans-66.6148.2178.130.9-36.1000111.5E380 I381 L391P378-E380 VanDerWaalsContact C-N 3.31Å; P378-E380 PolarHBondContact O-N 2.6Å; P378-I381 HydrophobicContact CG-CG2 4.1Å; P378-L391 HydrophobicContact CG-CD2 3.96Å; P378-L391 WeakPolarHBondContact O-CB 3.31Å
379E95.6Very high94.5Very high175 Ų17565 Ų6582%0.81835%0.346SS*.SBendtrans-66.4-34.2176.3-64.6-176.7174.400112.5L391E379-L391 PolarHBondContact O-N 3.23Å
380E96.1Very high94.8Very high86 Ų8669.4 Ų69.440%0.40237%0.367SS..EExtended strand (participates in β ladder)trans-135146.9-179.2-62.5-175148.300111.1P378 K388 L389P378-E380 VanDerWaalsContact C-N 3.31Å; P378-E380 PolarHBondContact O-N 2.6Å; E380-K388 WeakPolarHBondContact OE2-CD 3.29Å; E380-K388 IonicContact OE2-NZ 3.8Å; E380-L389 CarbonylContact C-O 3.59Å; E380-L389 WeakPolarHBondContact CA-O 3.42Å
381I96.6Very high94.9Very high1 Ų170 Ų701%0.00537%0.37CS..EExtended strand (participates in β ladder)trans-115.1151.7171.261.389000110.3F348 I374 P378 K388 L389 L391F348-I381 HydrophobicContact CE1-CB 4.44Å; F348-I381 HydrophobicContact CE1-CD1 4Å; F348-I381 HydrophobicContact CE1-CG1 3.91Å; F348-I381 HydrophobicContact CE1-CG2 4.37Å; F348-I381 HydrophobicContact CZ-CG1 4.47Å; F348-I381 HydrophobicContact CZ-CG2 4.4Å; I374-I381 HydrophobicContact CG2-CG2 4.12Å; P378-I381 HydrophobicContact CG-CG2 4.1Å; I381-K388 WeakPolarHBondContact O-CA 3.29Å; I381-L389 HydrophobicContact CD1-CB 3.94Å; I381-L389 HydrophobicContact CD1-CD1 4.27Å; I381-L389 HydrophobicContact CD1-CG 4.46Å; I381-L389 HydrophobicContact CG1-CB 4.23Å; I381-L389 PolarHBondContact N-O 3.09Å; I381-L389 PolarHBondContact O-N 3.16Å; I381-L391 HydrophobicContact CG2-CB 4.37Å; I381-L391 HydrophobicContact CG2-CD2 4.34Å
382T96Very high95Very high80 Ų8075.2 Ų75.249%0.49139%0.392SS..EExtended strand (participates in β ladder)trans-94.8126.9175.5-52.70000109.9R345 Q387R345-T382 PolarHBondContact NH2-O 3.07Å; T382-Q387 CarbonylContact C-O 3.55Å; T382-Q387 WeakPolarHBondContact CA-O 3.37Å
383T94.3Very high95.2Very high8 Ų872.3 Ų72.35%0.04938%0.38CS..  trans-74.2166176.667.70000111.7E349 S385 G386 Q387 L389E349-T383 HydrophobicContact CG-CG2 4.19Å; E349-T383 WeakPolarHBondContact OE1-CA 2.98Å; E349-T383 WeakPolarHBondContact OE1-CB 3.43Å; E349-T383 WeakPolarHBondContact OE2-CB 3.3Å; T383-S385 PolarHBondContact O-N 2.85Å; T383-S385 PolarHBondContact OG1-N 2.87Å; T383-S385 PolarHBondContact OG1-OG 3.26Å; T383-G386 PolarHBondContact O-N 2.97Å; T383-G386 PolarHBondContact OG1-N 3.37Å; T383-Q387 HydrophobicContact CG2-CB 4.16Å; T383-Q387 WeakPolarHBondContact CG2-O 3.46Å; T383-Q387 PolarHBondContact N-O 2.81Å; T383-Q387 WeakPolarHBondContact OG1-CA 3.41Å; T383-Q387 WeakPolarHBondContact OG1-CB 3.42Å; T383-Q387 PolarHBondContact OG1-N 3.14Å; T383-Q387 PolarHBondContact OG1-O 3.2Å; T383-L389 HydrophobicContact CG2-CD1 3.44Å; T383-L389 VanDerWaalsContact CG2-CD1 3.44Å; T383-L389 HydrophobicContact CG2-CG 3.6Å
384M90.3Very high95.4Very high82 Ų8269.5 Ų69.540%0.40437%0.37SS..THydrogen-bonded Turntrans-60.2-28.2172.1-62.7-171.471.600112.9N122 R345 E349 G386N122-M384 HydrophobicContact CB-CE 4.48Å; N122-M384 VanDerWaalsContact ND2-CE 3.27Å; N122-M384 WeakPolarHBondContact ND2-CE 3.46Å; R345-M384 HydrophobicContact CB-SD 4.36Å; R345-M384 HydrophobicContact CG-CG 3.75Å; R345-M384 HydrophobicContact CG-SD 3.55Å; R345-M384 VanDerWaalsContact CG-SD 3.55Å; E349-M384 PolarHBondContact OE1-N 3.01Å; M384-G386 VanDerWaalsContact C-N 3.29Å
385S91.4Very high95.4Very high98 Ų9871 Ų7169%0.68538%0.379SS*.THydrogen-bonded Turntrans-81.7-3.3174.959.60000114.1T383T383-S385 PolarHBondContact O-N 2.85Å; T383-S385 PolarHBondContact OG1-N 2.87Å; T383-S385 PolarHBondContact OG1-OG 3.26Å
386G92.1Very high95.6Very high54 Ų5470.7 Ų70.756%0.55738%0.379SS*.SBendtrans86.14.4-178.700000115.2T383 M384T383-G386 PolarHBondContact O-N 2.97Å; T383-G386 PolarHBondContact OG1-N 3.37Å; M384-G386 VanDerWaalsContact C-N 3.29Å
387Q94.8Very high95.7Very high118 Ų11870.7 Ų70.755%0.55137%0.367SS*.  trans-73.7152.6172.9-178.7176.3-11.200110.5T382 T383T382-Q387 CarbonylContact C-O 3.55Å; T382-Q387 WeakPolarHBondContact CA-O 3.37Å; T383-Q387 HydrophobicContact CG2-CB 4.16Å; T383-Q387 WeakPolarHBondContact CG2-O 3.46Å; T383-Q387 PolarHBondContact N-O 2.81Å; T383-Q387 WeakPolarHBondContact OG1-CA 3.41Å; T383-Q387 WeakPolarHBondContact OG1-CB 3.42Å; T383-Q387 PolarHBondContact OG1-N 3.14Å; T383-Q387 PolarHBondContact OG1-O 3.2Å
388K96.3Very high95.8Very high134 Ų13463.3 Ų63.358%0.58333%0.332SS*.EExtended strand (participates in β ladder)trans-97.9132.8169.9-63.3-164.6176.8-170.10111.5E380 I381E380-K388 WeakPolarHBondContact OE2-CD 3.29Å; E380-K388 IonicContact OE2-NZ 3.8Å; I381-K388 WeakPolarHBondContact O-CA 3.29Å
389L97Very high95.6Very high30 Ų3063 Ų6316%0.15733%0.33CS..EExtended strand (participates in β ladder)trans-120.6142.5174.9-63.3178.6000110.2E349 T353 E380 I381 T383E349-L389 HydrophobicContact CB-CD1 4.17Å; E349-L389 WeakPolarHBondContact O-CD1 3.38Å; T353-L389 HydrophobicContact CG2-CB 4.15Å; T353-L389 HydrophobicContact CG2-CD2 4.33Å; E380-L389 CarbonylContact C-O 3.59Å; E380-L389 WeakPolarHBondContact CA-O 3.42Å; I381-L389 HydrophobicContact CD1-CB 3.94Å; I381-L389 HydrophobicContact CD1-CD1 4.27Å; I381-L389 HydrophobicContact CD1-CG 4.46Å; I381-L389 HydrophobicContact CG1-CB 4.23Å; I381-L389 PolarHBondContact N-O 3.09Å; I381-L389 PolarHBondContact O-N 3.16Å; T383-L389 HydrophobicContact CG2-CD1 3.44Å; T383-L389 VanDerWaalsContact CG2-CD1 3.44Å; T383-L389 HydrophobicContact CG2-CG 3.6Å
390Q97.3Very high95.5Very high98 Ų9855.2 Ų55.246%0.45829%0.294SS..EExtended strand (participates in β ladder)trans-73.9129.4175-71.6179.50.100110.6K392Q390-K392 HydrophobicContact CB-CG 4.43Å; Q390-K392 PolarHBondContact O-N 3.21Å
391L97.9Very high94.8Very high27 Ų2751.4 Ų51.414%0.14128%0.277CS..  trans-84.9106.4174.8-175.361.5000109.6F348 C352 I374 P378 E379 I381 M393 V395F348-L391 HydrophobicContact CE2-CD1 4.07Å; F348-L391 HydrophobicContact CZ-CD1 3.75Å; C352-L391 HydrophobicContact CB-CD1 4.03Å; I374-L391 HydrophobicContact CB-CD2 4.44Å; I374-L391 HydrophobicContact CG2-CD2 4.49Å; P378-L391 HydrophobicContact CG-CD2 3.96Å; P378-L391 WeakPolarHBondContact O-CB 3.31Å; E379-L391 PolarHBondContact O-N 3.23Å; I381-L391 HydrophobicContact CG2-CB 4.37Å; I381-L391 HydrophobicContact CG2-CD2 4.34Å; L391-M393 HydrophobicContact CD1-CG 3.85Å; L391-M393 HydrophobicContact CD1-SD 4.47Å; L391-V395 HydrophobicContact CD2-CG2 4.25Å
392K97.7Very high94.5Very high110 Ų11052.4 Ų52.448%0.47829%0.286SS..  trans-117.7-23.2178.5-62.2-170.7-173.1157.90113.9C352 T353 K355 Q390C352-K392 PolarHBondContact O-N 3.27Å; T353-K392 WeakPolarHBondContact O-CD 3.45Å; K355-K392 WeakPolarHBondContact CA-O 3.28Å; K355-K392 HydrophobicContact CB-CB 4.3Å; Q390-K392 HydrophobicContact CB-CG 4.43Å; Q390-K392 PolarHBondContact O-N 3.21Å
393M98.1Very high94.5Very high8 Ų849.2 Ų49.24%0.03927%0.265CS..SBendtrans-62.3152.217674.6-176-51.700111F348 C352 N357 G358 V359 L391F348-M393 HydrophobicContact CD2-SD 3.57Å; F348-M393 VanDerWaalsContact CD2-SD 3.57Å; F348-M393 HydrophobicContact CE2-SD 3.46Å; F348-M393 WeakPolarHBondContact CE2-SD 3.36Å; F348-M393 HydrophobicContact CZ-SD 4.5Å; C352-M393 VanDerWaalsContact CA-SD 3.5Å; C352-M393 HydrophobicContact CB-CG 4.41Å; C352-M393 HydrophobicContact CB-SD 3.88Å; C352-M393 PolarHBondContact O-N 3.38Å; N357-M393 HydrophobicContact CB-CB 4.04Å; N357-M393 HydrophobicContact CB-CE 4.14Å; N357-M393 WeakPolarHBondContact O-CA 3.33Å; N357-M393 WeakPolarHBondContact O-CB 3.37Å; G358-M393 WeakPolarHBondContact O-CE 3.41Å; V359-M393 HydrophobicContact CB-CE 3.63Å; V359-M393 HydrophobicContact CB-SD 4.23Å; V359-M393 HydrophobicContact CG1-CE 4.01Å; V359-M393 HydrophobicContact CG1-CG 4.43Å; V359-M393 HydrophobicContact CG1-SD 4.05Å; L391-M393 HydrophobicContact CD1-CG 3.85Å; L391-M393 HydrophobicContact CD1-SD 4.47Å
394S98.2Very high94.6Very high33 Ų3349 Ų4923%0.23126%0.263CS..EExtended strand (participates in β ladder)trans-70.9144173.962.80000111.1R239 N357 G358 V359R239-S394 PolarHBondContact NH2-OG 2.9Å; N357-S394 PolarHBondContact O-N 3.22Å; G358-S394 CarbonylContact C-O 3.52Å; G358-S394 WeakPolarHBondContact CA-O 3.14Å; G358-S394 WeakPolarHBondContact CA-OG 3.32Å; V359-S394 PolarHBondContact N-O 3.41Å
395V97.9Very high94.8Very high31 Ų3145.4 Ų45.419%0.18825%0.246CC..EExtended strand (participates in β ladder)trans-119.8114.6176.3-178.10000107.8V359 I374 L391V359-V395 HydrophobicContact CG1-CB 4.17Å; V359-V395 HydrophobicContact CG1-CG1 4.17Å; V359-V395 HydrophobicContact CG1-CG2 3.78Å; I374-V395 HydrophobicContact CD1-CG1 4.18Å; I374-V395 HydrophobicContact CG1-CG1 4.11Å; L391-V395 HydrophobicContact CD2-CG2 4.25Å
396D97.6Very high95Very high50 Ų5043.6 Ų43.627%0.26723%0.225SC..EExtended strand (participates in β ladder)trans-118.6133.2-177.9-71.6-85.6000110.3T232 V359 I360 I361T232-D396 HydrophobicContact CG2-CB 4.05Å; V359-D396 PolarHBondContact O-N 3.16Å; I360-D396 CarbonylContact C-O 3.57Å; I360-D396 WeakPolarHBondContact CA-O 3.43Å; I360-D396 HydrophobicContact CG1-CB 4.39Å; I361-D396 PolarHBondContact N-O 3.32Å
397Y95.5Very high95.2Very high84 Ų8446.8 Ų46.833%0.32923%0.225SC..EExtended strand (participates in β ladder)trans-107116.8174.8-178.4-115.6000111.1Y214 R228 I361 G363 M375Y214-Y397 PolarHBondContact OH-OH 3.25Å; R228-Y397 PolarHBondContact NH1-O 3.04Å; R228-Y397 VanDerWaalsContact NH1-O 3.1Å; I361-Y397 HydrophobicContact CB-CD2 4.08Å; I361-Y397 HydrophobicContact CG2-CD2 4.16Å; I361-Y397 HydrophobicContact CG2-CE2 4.38Å; I361-Y397 VanDerWaalsContact O-CD2 3.25Å; I361-Y397 WeakPolarHBondContact O-CD2 3.46Å; G363-Y397 WeakPolarHBondContact O-CE2 3.41Å; M375-Y397 HydrophobicContact CE-CD2 3.35Å; M375-Y397 HydrophobicContact CE-CE2 3.71Å; M375-Y397 HydrophobicContact CE-CG 4.08Å; M375-Y397 HydrophobicContact SD-CD2 4.33Å
398I95.2Very high95.3Very high0 Ų042.5 Ų42.50%021%0.205CC..  trans-134.394.5-178.1-48.2-177.2000108.4R225 R228 F229 I360 I361 A362 F400R225-I398 HydrophobicContact CG-CG2 3.86Å; R228-I398 HydrophobicContact CG-CD1 4.25Å; F229-I398 HydrophobicContact CB-CD1 4.32Å; F229-I398 HydrophobicContact CB-CG2 4.24Å; F229-I398 HydrophobicContact CD2-CD1 4.39Å; I360-I398 HydrophobicContact CG2-CB 4.26Å; I360-I398 HydrophobicContact CG2-CD1 3.97Å; I360-I398 HydrophobicContact CG2-CG1 4.05Å; I361-I398 PolarHBondContact O-N 3.1Å; A362-I398 VanDerWaalsContact CA-O 3.31Å; A362-I398 WeakPolarHBondContact CA-O 3.46Å; I398-F400 HydrophobicContact CB-CE2 4.42Å; I398-F400 HydrophobicContact CG2-CD2 4.24Å; I398-F400 HydrophobicContact CG2-CE2 3.64Å; I398-F400 VanDerWaalsContact O-CD2 3.29Å; I398-F400 WeakPolarHBondContact O-CD2 3.25Å; I398-F400 PolarHBondContact O-N 3.45Å
399S91.8Very high95.4Very high15 Ų1536.1 Ų36.111%0.10518%0.177CC..  trans-70.7111.5-169-176.60000113.8Y214 R225 S401Y214-S399 PolarHBondContact OH-OG 2.83Å; R225-S399 WeakPolarHBondContact CD-O 3.48Å; R225-S399 PolarHBondContact NE-O 2.74Å; R225-S399 PolarHBondContact NH1-O 3.03Å; S399-S401 PolarHBondContact OG-OG 3.22Å; S399-S401 VanDerWaalsContact OG-OG 3.14Å
400F92.9Very high95.4Very high12 Ų1234.9 Ų34.95%0.05317%0.171CC..  trans-109.220.3166.3-72.7-90.9000112R225 E226 F229 R252 L256 I259 A362 I398 A402R225-F400 HydrophobicContact CG-CE1 4.08Å; R225-F400 HydrophobicContact CG-CE2 3.97Å; R225-F400 HydrophobicContact CG-CZ 3.69Å; E226-F400 HydrophobicContact CG-CE1 4.28Å; F229-F400 HydrophobicContact CB-CE2 3.78Å; F229-F400 HydrophobicContact CB-CZ 3.82Å; F229-F400 HydrophobicContact CD1-CE2 4.48Å; F229-F400 HydrophobicContact CD1-CZ 4.4Å; F229-F400 AromaticContact CD2-CE2 3.79Å; F229-F400 HydrophobicContact CD2-CE2 3.79Å; F229-F400 HydrophobicContact CD2-CZ 4.47Å; F229-F400 AromaticContact CG-CE2 3.77Å; F229-F400 HydrophobicContact CG-CE2 3.77Å; F229-F400 HydrophobicContact CG-CZ 4Å; R252-F400 WeakPolarHBondContact CD-O 3.22Å; R252-F400 VanDerWaalsContact CG-O 3.3Å; R252-F400 WeakPolarHBondContact CG-O 3.49Å; L256-F400 HydrophobicContact CD2-CB 4.19Å; L256-F400 HydrophobicContact CD2-CD1 4Å; L256-F400 HydrophobicContact CD2-CD2 3.64Å; L256-F400 HydrophobicContact CD2-CE1 4.24Å; L256-F400 HydrophobicContact CD2-CE2 3.91Å; L256-F400 HydrophobicContact CD2-CG 3.68Å; L256-F400 HydrophobicContact CD2-CZ 4.2Å; I259-F400 HydrophobicContact CD1-CD1 4.34Å; I259-F400 HydrophobicContact CD1-CE1 3.6Å; I259-F400 HydrophobicContact CD1-CZ 4.09Å; A362-F400 HydrophobicContact CB-CD2 4.31Å; A362-F400 CarbonylContact O-C 3.54Å; A362-F400 WeakPolarHBondContact O-CA 3.41Å; A362-F400 PolarHBondContact O-N 2.86Å; I398-F400 HydrophobicContact CB-CE2 4.42Å; I398-F400 HydrophobicContact CG2-CD2 4.24Å; I398-F400 HydrophobicContact CG2-CE2 3.64Å; I398-F400 VanDerWaalsContact O-CD2 3.29Å; I398-F400 WeakPolarHBondContact O-CD2 3.25Å; I398-F400 PolarHBondContact O-N 3.45Å; F400-A402 PolarHBondContact O-N 3.15Å
401S82.8Confident95.4Very high6 Ų634 Ų344%0.04217%0.167CC..  trans-59.1-16.8-176.3-44.50000114.2H165 Y214 G363 Y364 S399 H403H165-S401 PolarHBondContact CE1-O 3.31Å; H165-S401 VanDerWaalsContact CE1-O 3.29Å; H165-S401 PolarHBondContact ND1-O 3.31Å; Y214-S401 PolarHBondContact OH-OG 2.76Å; G363-S401 VanDerWaalsContact C-OG 3.3Å; Y364-S401 PolarHBondContact N-OG 3.46Å; S399-S401 PolarHBondContact OG-OG 3.22Å; S399-S401 VanDerWaalsContact OG-OG 3.14Å; S401-H403 VanDerWaalsContact CB-CD2 3.45Å; S401-H403 WeakPolarHBondContact CB-CD2 3.35Å; S401-H403 PolarHBondContact O-CD2 3.48Å; S401-H403 VanDerWaalsContact O-CD2 3.24Å; S401-H403 PolarHBondContact O-N 3.4Å; S401-H403 PolarHBondContact O-NE2 3.13Å
402A90Very high95.4Very high23 Ų2332.7 Ų32.719%0.1916%0.16CC..  trans54.748.517600000113.9H165 S188 F400H165-A402 PolarHBondContact ND1-O 3.5Å; S188-A402 VanDerWaalsContact CB-O 3.29Å; S188-A402 WeakPolarHBondContact CB-O 3.4Å; F400-A402 PolarHBondContact O-N 3.15Å
403H94.8Very high95.5Very high13 Ų1327.5 Ų27.56%0.0614%0.138CC..  trans-106.3163.5167.3-60.7-89.9000110H165 D186 F187 E211 Y214 H219 S401H165-H403 AromaticContact CE1-CE1 3.56Å; H165-H403 AromaticContact CE1-NE2 3.74Å; D186-H403 IonicContact OD2-CE1 3.3Å; D186-H403 PolarHBondContact OD2-CE1 3.22Å; D186-H403 VanDerWaalsContact OD2-CE1 3.28Å; D186-H403 IonicContact OD2-ND1 3.78Å; F187-H403 CarbonylContact O-C 3.6Å; F187-H403 WeakPolarHBondContact O-CA 3.45Å; E211-H403 IonicContact OE1-CG 3.28Å; E211-H403 IonicContact OE1-ND1 3.39Å; E211-H403 PolarHBondContact OE1-ND1 3.23Å; E211-H403 IonicContact OE2-CE1 3.97Å; E211-H403 IonicContact OE2-CG 3.58Å; E211-H403 IonicContact OE2-ND1 2.7Å; E211-H403 PolarHBondContact OE2-ND1 2.88Å; Y214-H403 HydrophobicContact CD2-CB 3.69Å; Y214-H403 AromaticContact CD2-CD2 3.88Å; Y214-H403 HydrophobicContact CE2-CB 4.33Å; Y214-H403 AromaticContact CE2-CD2 3.65Å; H219-H403 PolarHBondContact NE2-O 2.87Å; S401-H403 VanDerWaalsContact CB-CD2 3.45Å; S401-H403 WeakPolarHBondContact CB-CD2 3.35Å; S401-H403 PolarHBondContact O-CD2 3.48Å; S401-H403 VanDerWaalsContact O-CD2 3.24Å; S401-H403 PolarHBondContact O-N 3.4Å; S401-H403 PolarHBondContact O-NE2 3.13Å
404T96Very high95.4Very high2 Ų232.6 Ų32.61%0.01216%0.156CC..  trans-68.2140.917153.50000112.8F187 R189 Y214 Q408 T409F187-T404 HydrophobicContact CD1-CG2 4.2Å; F187-T404 HydrophobicContact CD2-CG2 3.85Å; F187-T404 HydrophobicContact CE1-CG2 3.85Å; F187-T404 WeakPolarHBondContact CE1-OG1 3.31Å; F187-T404 HydrophobicContact CE2-CG2 3.48Å; F187-T404 VanDerWaalsContact CE2-CG2 3.48Å; F187-T404 HydrophobicContact CG-CG2 4.2Å; F187-T404 HydrophobicContact CZ-CG2 3.48Å; F187-T404 VanDerWaalsContact CZ-CG2 3.48Å; F187-T404 PolarHBondContact O-N 3.24Å; F187-T404 VanDerWaalsContact O-N 3.14Å; R189-T404 HydrophobicContact CB-CG2 4.18Å; R189-T404 HydrophobicContact CG-CG2 3.91Å; Y214-T404 WeakPolarHBondContact CB-O 3.37Å; T404-Q408 HydrophobicContact CG2-CB 3.79Å; T404-T409 PolarHBondContact OG1-OG1 3.38Å
405D94.7Very high95.3Very high7 Ų733.2 Ų33.24%0.03716%0.163CC..BIsolated β-bridgetrans-85.8179.9165.265.110000111.8H217 H219 Q407 Q408 T409H217-D405 WeakPolarHBondContact O-CB 3.31Å; H219-D405 VanDerWaalsContact CD2-CB 3.47Å; H219-D405 WeakPolarHBondContact CD2-CB 3.49Å; H219-D405 IonicContact CD2-OD2 3.78Å; H219-D405 IonicContact CG-OD2 3.39Å; H219-D405 PolarHBondContact N-OD2 2.79Å; D405-Q407 VanDerWaalsContact C-N 3.27Å; D405-Q407 PolarHBondContact O-N 3.07Å; D405-Q407 PolarHBondContact OD1-N 3.49Å; D405-Q408 PolarHBondContact O-N 2.99Å; D405-Q408 WeakPolarHBondContact OD1-CB 3.45Å; D405-Q408 WeakPolarHBondContact OD1-CG 3.44Å; D405-Q408 PolarHBondContact OD1-N 3.2Å; D405-T409 PolarHBondContact O-N 3.06Å; D405-T409 PolarHBondContact O-OG1 3.04Å; D405-T409 VanDerWaalsContact O-OG1 3.12Å
406Y96.6Very high95.3Very high60 Ų6031.8 Ų31.824%0.23516%0.155CC..Hα-helixtrans-53.6-44.7179.5178.5-99.8000112.5G215 H217 Q408 T409 S410 L434 A437 E441G215-Y406 WeakPolarHBondContact O-CA 3.45Å; G215-Y406 VanDerWaalsContact O-CB 3.25Å; G215-Y406 WeakPolarHBondContact O-CB 3.3Å; G215-Y406 VanDerWaalsContact O-CD2 3.24Å; G215-Y406 WeakPolarHBondContact O-CD2 3.33Å; H217-Y406 PolarHBondContact O-N 2.77Å; Y406-Q408 PolarHBondContact O-N 3.2Å; Y406-T409 PolarHBondContact O-N 3.06Å; Y406-S410 WeakPolarHBondContact O-CB 3.21Å; Y406-S410 PolarHBondContact O-N 3.08Å; Y406-L434 HydrophobicContact CD2-CD1 3.89Å; Y406-L434 HydrophobicContact CE2-CD1 4.16Å; Y406-A437 HydrophobicContact CD2-CB 4.43Å; Y406-A437 HydrophobicContact CE2-CB 3.52Å; Y406-E441 PolarHBondContact OH-OE2 2.96Å; Y406-E441 VanDerWaalsContact OH-OE2 3.08Å
407Q96.1Very high95.3Very high122 Ų12233.8 Ų33.857%0.5716%0.161SC*.Hα-helixtrans-64.2-44.3-175.9-178.8175.4-1500111I218 D405 E411I218-Q407 HydrophobicContact CD1-CB 4.31Å; D405-Q407 VanDerWaalsContact C-N 3.27Å; D405-Q407 PolarHBondContact O-N 3.07Å; D405-Q407 PolarHBondContact OD1-N 3.49Å; Q407-E411 VanDerWaalsContact O-CB 3.29Å; Q407-E411 WeakPolarHBondContact O-CB 3.42Å; Q407-E411 PolarHBondContact O-N 2.84Å
408Q97.2Very high95.4Very high27 Ų2729.8 Ų29.813%0.12615%0.145CC..Hα-helixtrans-68.1-43.2178.4-70.1173.315.400112.2R189 T404 D405 Y406 E411 F412R189-Q408 HydrophobicContact CB-CB 4.07Å; R189-Q408 HydrophobicContact CB-CG 4.07Å; T404-Q408 HydrophobicContact CG2-CB 3.79Å; D405-Q408 PolarHBondContact O-N 2.99Å; D405-Q408 WeakPolarHBondContact OD1-CB 3.45Å; D405-Q408 WeakPolarHBondContact OD1-CG 3.44Å; D405-Q408 PolarHBondContact OD1-N 3.2Å; Y406-Q408 PolarHBondContact O-N 3.2Å; Q408-E411 PolarHBondContact O-N 3.34Å; Q408-F412 WeakPolarHBondContact O-CB 3.35Å; Q408-F412 PolarHBondContact O-N 3.4Å
409T97.9Very high95.5Very high1 Ų132.4 Ų32.41%0.00616%0.162CC..Hα-helixtrans-62.8-47175.8-590000111.1T404 D405 Y406 F412 I413 L434T404-T409 PolarHBondContact OG1-OG1 3.38Å; D405-T409 PolarHBondContact O-N 3.06Å; D405-T409 PolarHBondContact O-OG1 3.04Å; D405-T409 VanDerWaalsContact O-OG1 3.12Å; Y406-T409 PolarHBondContact O-N 3.06Å; T409-F412 PolarHBondContact O-N 3.38Å; T409-I413 HydrophobicContact CG2-CD1 3.89Å; T409-I413 WeakPolarHBondContact O-CG1 3.29Å; T409-I413 PolarHBondContact O-N 2.67Å; T409-L434 HydrophobicContact CG2-CD1 4.46Å
410S97.3Very high95.8Very high3 Ų333.3 Ų33.32%0.02117%0.165CC..Hα-helixtrans-61.1-45.2177.4168.20000111.5Y406 F412 I413 R414 E441Y406-S410 WeakPolarHBondContact O-CB 3.21Å; Y406-S410 PolarHBondContact O-N 3.08Å; S410-F412 VanDerWaalsContact C-N 3.34Å; S410-F412 PolarHBondContact O-N 3.21Å; S410-I413 PolarHBondContact O-N 3.03Å; S410-R414 VanDerWaalsContact O-CB 3.26Å; S410-R414 WeakPolarHBondContact O-CB 3.3Å; S410-R414 PolarHBondContact O-N 3.24Å; S410-R414 PolarHBondContact OG-NH2 3.2Å; S410-E441 VanDerWaalsContact OG-CD 3.24Å; S410-E441 PolarHBondContact OG-OE1 2.69Å; S410-E441 PolarHBondContact OG-OE2 3.26Å
411E97.7Very high96.1Very high80 Ų8032.8 Ų32.837%0.37416%0.162SC..Hα-helixtrans-59.7-43.6175.2-173.9-171.3149.600112.2R189 Q407 Q408 R414 A415R189-E411 IonicContact NH2-OE1 3.25Å; Q407-E411 VanDerWaalsContact O-CB 3.29Å; Q407-E411 WeakPolarHBondContact O-CB 3.42Å; Q407-E411 PolarHBondContact O-N 2.84Å; Q408-E411 PolarHBondContact O-N 3.34Å; E411-R414 PolarHBondContact O-N 3.23Å; E411-A415 PolarHBondContact O-N 3.34Å
412F98.3Very high96.8Very high0 Ų032.5 Ų32.50%016%0.16CC..Hα-helixtrans-62.3-47.9179-169.7-103.3000111.8M171 L182 T184 F187 E199 I200 L208 Q408 T409 S410 R414 A415 L416M171-F412 HydrophobicContact CE-CZ 4.46Å; M171-F412 HydrophobicContact SD-CE2 4.38Å; M171-F412 HydrophobicContact SD-CZ 3.91Å; L182-F412 HydrophobicContact CD2-CE1 4.16Å; L182-F412 HydrophobicContact CD2-CZ 3.97Å; T184-F412 HydrophobicContact CG2-CE1 4.02Å; T184-F412 HydrophobicContact CG2-CZ 4.5Å; F187-F412 HydrophobicContact CE2-CB 4.33Å; F187-F412 HydrophobicContact CE2-CD1 4.08Å; F187-F412 AromaticContact CE2-CD2 3.96Å; F187-F412 HydrophobicContact CE2-CD2 3.96Å; F187-F412 HydrophobicContact CE2-CE1 4.35Å; F187-F412 HydrophobicContact CE2-CE2 4.24Å; F187-F412 AromaticContact CE2-CG 3.87Å; F187-F412 HydrophobicContact CE2-CG 3.87Å; F187-F412 HydrophobicContact CE2-CZ 4.42Å; F187-F412 HydrophobicContact CZ-CB 4.48Å; F187-F412 HydrophobicContact CZ-CD1 4.13Å; F187-F412 HydrophobicContact CZ-CG 4.22Å; E199-F412 WeakPolarHBondContact O-CE2 3.24Å; I200-F412 HydrophobicContact CG1-CD2 4.02Å; I200-F412 HydrophobicContact CG1-CE2 4.2Å; L208-F412 HydrophobicContact CD1-CE1 4.06Å; L208-F412 HydrophobicContact CD2-CD1 4.27Å; L208-F412 HydrophobicContact CD2-CE1 4.33Å; Q408-F412 WeakPolarHBondContact O-CB 3.35Å; Q408-F412 PolarHBondContact O-N 3.4Å; T409-F412 PolarHBondContact O-N 3.38Å; S410-F412 VanDerWaalsContact C-N 3.34Å; S410-F412 PolarHBondContact O-N 3.21Å; F412-R414 VanDerWaalsContact C-N 3.33Å; F412-R414 PolarHBondContact O-N 2.76Å; F412-A415 PolarHBondContact O-N 2.69Å; F412-L416 HydrophobicContact CD1-CD1 3.91Å; F412-L416 HydrophobicContact CE1-CD1 3.41Å; F412-L416 VanDerWaalsContact CE1-CD1 3.41Å; F412-L416 HydrophobicContact CE2-CD1 4.29Å; F412-L416 HydrophobicContact CZ-CD1 3.64Å; F412-L416 PolarHBondContact O-N 3.11Å
413I97.9Very high97.2Very high1 Ų131.4 Ų31.41%0.00515%0.151CC..Hα-helixtrans-63.2-40.9176.5-66169.2000110.5L208 T409 S410 A415 L416 K417 V421 L438 Y442 I450L208-I413 HydrophobicContact CD2-CG1 3.83Å; T409-I413 HydrophobicContact CG2-CD1 3.89Å; T409-I413 WeakPolarHBondContact O-CG1 3.29Å; T409-I413 PolarHBondContact O-N 2.67Å; S410-I413 PolarHBondContact O-N 3.03Å; I413-A415 VanDerWaalsContact C-N 3.32Å; I413-A415 PolarHBondContact O-N 3.38Å; I413-L416 PolarHBondContact O-N 3.18Å; I413-K417 WeakPolarHBondContact O-CA 3.27Å; I413-K417 PolarHBondContact O-N 3.31Å; I413-V421 HydrophobicContact CD1-CG1 4.25Å; I413-V421 HydrophobicContact CG2-CG2 4.21Å; I413-L438 HydrophobicContact CD1-CD1 3.66Å; I413-L438 HydrophobicContact CD1-CD2 3.75Å; I413-L438 HydrophobicContact CD1-CG 4.38Å; I413-Y442 HydrophobicContact CG2-CE2 4.24Å; I413-I450 HydrophobicContact CG2-CD1 3.86Å
414R96.6Very high97.4Very high115 Ų11530.9 Ų30.943%0.43415%0.149SC..Hα-helixtrans-65-34.3179.6-165.9-174.6-55.3115.42.2113.1S410 E411 F412 K417 E441 Y442S410-R414 VanDerWaalsContact O-CB 3.26Å; S410-R414 WeakPolarHBondContact O-CB 3.3Å; S410-R414 PolarHBondContact O-N 3.24Å; S410-R414 PolarHBondContact OG-NH2 3.2Å; E411-R414 PolarHBondContact O-N 3.23Å; F412-R414 VanDerWaalsContact C-N 3.33Å; F412-R414 PolarHBondContact O-N 2.76Å; R414-K417 WeakPolarHBondContact O-CG 3.45Å; R414-E441 IonicContact CZ-OE1 2.67Å; R414-E441 IonicContact NE-OE1 2.84Å; R414-E441 PolarHBondContact NE-OE1 3.2Å; R414-E441 IonicContact NH2-OE1 2.71Å; R414-E441 PolarHBondContact NH2-OE1 3.42Å; R414-Y442 VanDerWaalsContact CA-OH 3.23Å; R414-Y442 WeakPolarHBondContact CA-OH 3.37Å; R414-Y442 WeakPolarHBondContact CB-OH 3.47Å; R414-Y442 PolarHBondContact N-OH 3.15Å
415A97.1Very high97.5Very high45 Ų4530.9 Ų30.937%0.37215%0.149SC..Hα-helixtrans-70.6-42.7176.400000111.8I200 E411 F412 I413I200-A415 HydrophobicContact CD1-CB 4.05Å; I200-A415 HydrophobicContact CG2-CB 3.91Å; E411-A415 PolarHBondContact O-N 3.34Å; F412-A415 PolarHBondContact O-N 2.69Å; I413-A415 VanDerWaalsContact C-N 3.32Å; I413-A415 PolarHBondContact O-N 3.38Å
416L97.4Very high97.6Very high2 Ų230.6 Ų30.61%0.0115%0.147CC..Hα-helixtrans-81-36.6-176.4-65.8179.4000113.2L182 I200 P201 K204 P205 F412 I413L182-L416 HydrophobicContact CD2-CD1 3.86Å; I200-L416 HydrophobicContact CG2-CD2 4.02Å; I200-L416 HydrophobicContact CG2-CG 4.48Å; P201-L416 HydrophobicContact CB-CD2 4.4Å; K204-L416 WeakPolarHBondContact CD-O 3.44Å; P205-L416 HydrophobicContact CG-CD1 4.4Å; F412-L416 HydrophobicContact CD1-CD1 3.91Å; F412-L416 HydrophobicContact CE1-CD1 3.41Å; F412-L416 VanDerWaalsContact CE1-CD1 3.41Å; F412-L416 HydrophobicContact CE2-CD1 4.29Å; F412-L416 HydrophobicContact CZ-CD1 3.64Å; F412-L416 PolarHBondContact O-N 3.11Å; I413-L416 PolarHBondContact O-N 3.18Å
417K97.1Very high97.5Very high91 Ų9130.5 Ų30.540%0.39615%0.149SC..  trans46.654.3-173.3-56.5-173.8174.2-174.90113.3I413 R414 V448I413-K417 WeakPolarHBondContact O-CA 3.27Å; I413-K417 PolarHBondContact O-N 3.31Å; R414-K417 WeakPolarHBondContact O-CG 3.45Å; K417-V448 HydrophobicContact CB-CG1 4.24Å; K417-V448 HydrophobicContact CD-CG1 3.98Å; K417-V448 HydrophobicContact CD-CG2 3.83Å; K417-V448 HydrophobicContact CG-CG1 4.2Å
418P97.4Very high97.5Very high0 Ų028.3 Ų28.30%014%0.139CC..  trans-68.5136.4178.731-35.3000110.4P205 L208 H420 V421 I450P205-P418 HydrophobicContact CG-CB 4.44Å; L208-P418 HydrophobicContact CB-CB 3.9Å; L208-P418 HydrophobicContact CB-CG 3.68Å; L208-P418 HydrophobicContact CD2-CG 4.05Å; P418-H420 PolarHBondContact O-N 3.42Å; P418-V421 HydrophobicContact CG-CG2 3.57Å; P418-I450 WeakPolarHBondContact O-CG1 3.42Å
419P96.9Very high97.5Very high55 Ų5531.4 Ų31.436%0.35716%0.157SC..SBendtrans-54.8-36.8173.1-28.433.8000114.1D206 E451D206-P419 VanDerWaalsContact O-CD 3.32Å; D206-P419 WeakPolarHBondContact O-CD 3.49Å; P419-E451 PolarHBondContact O-N 3.33Å
420H98.5Very high97.4Very high34 Ų3433.1 Ų33.116%0.15716%0.164CC..EExtended strand (participates in β ladder)trans-125128.8178.2-61.2-77.6000111.4D206 I207 L208 P418 E451 H453 L463D206-H420 PolarHBondContact O-N 2.79Å; I207-H420 WeakPolarHBondContact CA-O 3.02Å; I207-H420 HydrophobicContact CG1-CB 4.3Å; L208-H420 PolarHBondContact N-O 3.04Å; P418-H420 PolarHBondContact O-N 3.42Å; H420-E451 WeakPolarHBondContact CA-O 3.32Å; H420-E451 IonicContact CE1-OE2 2.52Å; H420-E451 PolarHBondContact CE1-OE2 3.39Å; H420-E451 VanDerWaalsContact CE1-OE2 3.32Å; H420-E451 IonicContact ND1-OE2 2.98Å; H420-H453 AromaticContact ND1-NE2 3.4Å; H420-H453 PolarHBondContact ND1-NE2 3.29Å; H420-L463 HydrophobicContact CB-CD1 3.95Å
421V98.8Very high97.4Very high1 Ų133 Ų331%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-114.4127.7171.8177.70000108.8L208 T210 I413 P418 L423 I450 E451 V452 H453L208-V421 HydrophobicContact CB-CG2 4.48Å; L208-V421 HydrophobicContact CD2-CG2 4.48Å; L208-V421 CarbonylContact O-C 3.59Å; L208-V421 WeakPolarHBondContact O-CA 3.45Å; T210-V421 HydrophobicContact CG2-CG1 4.08Å; I413-V421 HydrophobicContact CD1-CG1 4.25Å; I413-V421 HydrophobicContact CG2-CG2 4.21Å; P418-V421 HydrophobicContact CG-CG2 3.57Å; V421-L423 HydrophobicContact CG1-CD2 3.93Å; V421-I450 HydrophobicContact CB-CG2 4.37Å; V421-I450 HydrophobicContact CG2-CG2 3.62Å; V421-E451 PolarHBondContact N-O 2.77Å; V421-V452 HydrophobicContact CB-CG1 4.46Å; V421-V452 HydrophobicContact CB-CG2 4.41Å; V421-V452 HydrophobicContact CG1-CG1 4.45Å; V421-V452 CarbonylContact O-C 3.48Å; V421-V452 WeakPolarHBondContact O-CA 3.22Å; V421-H453 PolarHBondContact O-CD2 3.25Å; V421-H453 PolarHBondContact O-N 3.4Å
422I98.9Very high97.5Very high0 Ų031.2 Ų31.20%016%0.163CC..EExtended strand (participates in β ladder)trans-117.1113.1178.1-60.1167.6000107.7I21 I207 L208 I209 T210 V424 H453 P455 V461I21-I422 HydrophobicContact CB-CD1 4.03Å; I21-I422 HydrophobicContact CD1-CD1 3.29Å; I21-I422 HydrophobicContact CG1-CD1 4.24Å; I21-I422 HydrophobicContact CG2-CD1 3.96Å; I207-I422 HydrophobicContact CG2-CD1 3.82Å; I207-I422 HydrophobicContact CG2-CG1 4.48Å; L208-I422 PolarHBondContact O-N 3.48Å; I209-I422 WeakPolarHBondContact CA-O 3.21Å; I209-I422 HydrophobicContact CG1-CB 4.32Å; I209-I422 HydrophobicContact CG1-CD1 4.36Å; T210-I422 PolarHBondContact N-O 3.09Å; I422-V424 HydrophobicContact CG2-CG1 4.37Å; I422-H453 HydrophobicContact CG1-CB 4.15Å; I422-P455 HydrophobicContact CG2-CG 3.9Å; I422-V461 HydrophobicContact CD1-CB 4.44Å; I422-V461 HydrophobicContact CD1-CG1 4.29Å
423L98.8Very high97.4Very high0 Ų039.2 Ų39.20%019%0.193CC..EExtended strand (participates in β ladder)trans-82.9129.1177.9-55.9179.4000110T210 V421 M431 L434 K435 L438 V452 H453 N454T210-L423 HydrophobicContact CG2-CD2 3.9Å; V421-L423 HydrophobicContact CG1-CD2 3.93Å; L423-M431 HydrophobicContact CB-CG 3.75Å; L423-M431 HydrophobicContact CB-SD 4.06Å; L423-M431 HydrophobicContact CD1-CG 4.05Å; L423-L434 HydrophobicContact CD1-CB 4.44Å; L423-L434 HydrophobicContact CD1-CD2 3.94Å; L423-L434 HydrophobicContact CD1-CG 4.06Å; L423-L434 HydrophobicContact CD2-CD2 3.79Å; L423-L434 HydrophobicContact CD2-CG 4.49Å; L423-L434 HydrophobicContact CG-CD2 4.47Å; L423-K435 HydrophobicContact CD1-CB 3.89Å; L423-L438 HydrophobicContact CD2-CD1 4.34Å; L423-V452 HydrophobicContact CD1-CG1 3.96Å; L423-V452 HydrophobicContact CG-CG1 4.07Å; L423-H453 PolarHBondContact N-O 3.43Å; L423-N454 HydrophobicContact CB-CB 4.29Å
424V98.8Very high97.5Very high2 Ų239.1 Ų39.11%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-134.2176.9173-63.20000108.8P23 A26 I35 Y183 I209 T210 E211 S212 I422P23-V424 HydrophobicContact CG-CG1 4.42Å; A26-V424 CarbonylContact O-C 3.59Å; I35-V424 HydrophobicContact CD1-CG2 4.47Å; I35-V424 HydrophobicContact CG1-CG1 4.33Å; Y183-V424 HydrophobicContact CE2-CG2 4.45Å; I209-V424 HydrophobicContact CG2-CG1 4.08Å; I209-V424 HydrophobicContact CG2-CG2 3.86Å; T210-V424 PolarHBondContact O-N 2.82Å; E211-V424 CarbonylContact C-O 3.37Å; E211-V424 VanDerWaalsContact CA-O 3.3Å; E211-V424 WeakPolarHBondContact CA-O 3.42Å; S212-V424 PolarHBondContact N-O 2.77Å; S212-V424 PolarHBondContact OG-O 2.84Å; I422-V424 HydrophobicContact CG2-CG1 4.37Å
425H98.3Very high97.5Very high3 Ų336.3 Ų36.31%0.01418%0.184CC..SBendtrans51.170.2171.2-157.7-98.3000113.2A26 E29 S33 D82 H83 D186 E211 S212 T213A26-H425 HydrophobicContact CB-CB 4.28Å; A26-H425 PolarHBondContact O-N 3.34Å; E29-H425 WeakPolarHBondContact O-CA 3.35Å; S33-H425 PolarHBondContact OG-CD2 2.98Å; D82-H425 IonicContact OD2-CE1 3.67Å; D82-H425 IonicContact OD2-NE2 3.62Å; D82-H425 PolarHBondContact OD2-NE2 3.19Å; H83-H425 AromaticContact NE2-CD2 3.75Å; H83-H425 AromaticContact NE2-CE1 3.93Å; H83-H425 AromaticContact NE2-NE2 3.51Å; D186-H425 IonicContact OD1-CE1 3.93Å; D186-H425 IonicContact OD1-CG 2.69Å; D186-H425 IonicContact OD1-ND1 3.3Å; D186-H425 PolarHBondContact OD1-ND1 3.41Å; D186-H425 IonicContact OD2-CE1 3.41Å; D186-H425 PolarHBondContact OD2-CE1 3.34Å; D186-H425 IonicContact OD2-ND1 2.81Å; E211-H425 HydrophobicContact CB-CB 4.04Å; S212-H425 CarbonylContact C-O 3.17Å; S212-H425 PolarHBondContact N-O 3.29Å; S212-H425 PolarHBondContact OG-O 3.37Å; T213-H425 PolarHBondContact N-O 2.92Å; T213-H425 PolarHBondContact OG1-ND1 2.52Å; T213-H425 VanDerWaalsContact OG1-ND1 3.09Å; T213-H425 PolarHBondContact OG1-O 2.98Å
426G96.6Very high97.6Very high0 Ų036.1 Ų36.10%018%0.182CC..SBendtrans-176.1150.4-178.100000111.2Q28 E29 S212 M431Q28-G426 CarbonylContact C-O 3.59Å; E29-G426 CarbonylContact C-O 3.41Å; E29-G426 WeakPolarHBondContact CA-O 3.29Å; E29-G426 PolarHBondContact N-O 2.9Å; E29-G426 PolarHBondContact O-N 3.34Å; S212-G426 WeakPolarHBondContact OG-CA 3.44Å; G426-M431 WeakPolarHBondContact O-CE 3.44Å
427E94.9Very high97.6Very high59 Ų5937.4 Ų37.428%0.27619%0.193SC..  trans-62.9143.2177.2-174.4-80.2147.500110.6N429 E430 M431E427-N429 VanDerWaalsContact C-N 3.34Å; E427-N429 PolarHBondContact O-N 3.4Å; E427-N429 PolarHBondContact OE1-N 2.99Å; E427-N429 VanDerWaalsContact OE1-N 3.07Å; E427-N429 PolarHBondContact OE1-ND2 3.41Å; E427-N429 WeakPolarHBondContact OE2-CA 3.47Å; E427-N429 VanDerWaalsContact OE2-CB 3.27Å; E427-N429 WeakPolarHBondContact OE2-CB 3.48Å; E427-N429 PolarHBondContact OE2-N 3.48Å; E427-E430 HydrophobicContact CB-CB 4.5Å; E427-E430 PolarHBondContact O-N 3.47Å; E427-E430 PolarHBondContact OE2-N 2.89Å; E427-M431 VanDerWaalsContact O-CB 3.24Å; E427-M431 WeakPolarHBondContact O-CB 3.18Å; E427-M431 PolarHBondContact O-N 3.01Å
428Q96.2Very high97.6Very high75 Ų7533.2 Ų33.235%0.3518%0.175SC..Hα-helixtrans-51.4-46.8-171.7175.4172.671.500114Q28 A432 R456Q28-Q428 HydrophobicContact CB-CB 4.13Å; Q28-Q428 HydrophobicContact CB-CG 4.33Å; Q28-Q428 PolarHBondContact O-N 3.44Å; Q428-A432 WeakPolarHBondContact O-CB 3.49Å; Q428-A432 PolarHBondContact O-N 2.97Å; Q428-A432 VanDerWaalsContact O-N 3.09Å; Q428-R456 VanDerWaalsContact NE2-NH2 3.17Å
429N96.6Very high97.5Very high93 Ų9336.8 Ų36.850%0.49719%0.193SC..Hα-helixtrans-74.5-41.7-177.1-61.4-65.4000112E427 A432 R433E427-N429 VanDerWaalsContact C-N 3.34Å; E427-N429 PolarHBondContact O-N 3.4Å; E427-N429 PolarHBondContact OE1-N 2.99Å; E427-N429 VanDerWaalsContact OE1-N 3.07Å; E427-N429 PolarHBondContact OE1-ND2 3.41Å; E427-N429 WeakPolarHBondContact OE2-CA 3.47Å; E427-N429 VanDerWaalsContact OE2-CB 3.27Å; E427-N429 WeakPolarHBondContact OE2-CB 3.48Å; E427-N429 PolarHBondContact OE2-N 3.48Å; N429-A432 PolarHBondContact O-N 3.31Å; N429-R433 WeakPolarHBondContact O-CG 3.31Å; N429-R433 PolarHBondContact O-N 2.76Å
430E95.5Very high97.5Very high36 Ų3642.6 Ų42.617%0.16821%0.208CC..Hα-helixtrans-63.5-43.4175.8-68.8-176.7151.800111.4T216 H217 E427 A432 R433 L434T216-E430 VanDerWaalsContact CG2-O 3.32Å; T216-E430 WeakPolarHBondContact CG2-O 3.23Å; H217-E430 IonicContact CD2-OE1 3.9Å; H217-E430 IonicContact CE1-OE1 3.08Å; H217-E430 IonicContact NE2-OE1 3.66Å; H217-E430 PolarHBondContact NE2-OE1 2.85Å; E427-E430 HydrophobicContact CB-CB 4.5Å; E427-E430 PolarHBondContact O-N 3.47Å; E427-E430 PolarHBondContact OE2-N 2.89Å; E430-A432 VanDerWaalsContact C-N 3.35Å; E430-A432 PolarHBondContact O-N 3.2Å; E430-R433 PolarHBondContact O-N 2.98Å; E430-L434 PolarHBondContact O-N 3.47Å
431M98.1Very high97.3Very high0 Ų043.8 Ų43.80%021%0.213CC..Hα-helixtrans-61.9-40.6174.7-172.3-172.9-7300111.8Q28 S212 L423 G426 E427 L434 K435 N454Q28-M431 HydrophobicContact CB-SD 4.43Å; Q28-M431 HydrophobicContact CG-SD 3.88Å; S212-M431 WeakPolarHBondContact OG-CE 3.39Å; L423-M431 HydrophobicContact CB-CG 3.75Å; L423-M431 HydrophobicContact CB-SD 4.06Å; L423-M431 HydrophobicContact CD1-CG 4.05Å; G426-M431 WeakPolarHBondContact O-CE 3.44Å; E427-M431 VanDerWaalsContact O-CB 3.24Å; E427-M431 WeakPolarHBondContact O-CB 3.18Å; E427-M431 PolarHBondContact O-N 3.01Å; M431-L434 PolarHBondContact O-N 2.95Å; M431-K435 WeakPolarHBondContact O-CB 3.43Å; M431-K435 PolarHBondContact O-N 3.47Å; M431-N454 HydrophobicContact CG-CB 3.96Å; M431-N454 HydrophobicContact SD-CB 3.74Å
432A98Very high97Very high44 Ų4444.8 Ų44.836%0.36422%0.217SC..Hα-helixtrans-65.3-38.3175.700000112.5Q428 N429 E430 A436Q428-A432 WeakPolarHBondContact O-CB 3.49Å; Q428-A432 PolarHBondContact O-N 2.97Å; Q428-A432 VanDerWaalsContact O-N 3.09Å; N429-A432 PolarHBondContact O-N 3.31Å; E430-A432 VanDerWaalsContact C-N 3.35Å; E430-A432 PolarHBondContact O-N 3.2Å; A432-A436 PolarHBondContact O-N 2.79Å
433R98.1Very high96.6Very high167 Ų16750.9 Ų50.963%0.6325%0.246SC*.Hα-helixtrans-68.2-43175.1-75.3174.6-173178.74.6111.9T216 N429 E430 A436 A437T216-R433 HydrophobicContact CG2-CB 3.45Å; T216-R433 VanDerWaalsContact CG2-CB 3.45Å; N429-R433 WeakPolarHBondContact O-CG 3.31Å; N429-R433 PolarHBondContact O-N 2.76Å; E430-R433 PolarHBondContact O-N 2.98Å; R433-A436 PolarHBondContact O-N 3.33Å; R433-A437 PolarHBondContact O-N 3.26Å
434L98.1Very high96.2Very high0 Ų058 Ų580%028%0.284CS..Hα-helixtrans-58.1-48.2173.2171.764.3000110.5G215 T216 Y406 T409 L423 E430 M431 A436 A437 L438G215-L434 WeakPolarHBondContact O-CD1 3.48Å; T216-L434 HydrophobicContact CG2-CB 4.42Å; Y406-L434 HydrophobicContact CD2-CD1 3.89Å; Y406-L434 HydrophobicContact CE2-CD1 4.16Å; T409-L434 HydrophobicContact CG2-CD1 4.46Å; L423-L434 HydrophobicContact CD1-CB 4.44Å; L423-L434 HydrophobicContact CD1-CD2 3.94Å; L423-L434 HydrophobicContact CD1-CG 4.06Å; L423-L434 HydrophobicContact CD2-CD2 3.79Å; L423-L434 HydrophobicContact CD2-CG 4.49Å; L423-L434 HydrophobicContact CG-CD2 4.47Å; E430-L434 PolarHBondContact O-N 3.47Å; M431-L434 PolarHBondContact O-N 2.95Å; L434-A436 VanDerWaalsContact C-N 3.33Å; L434-A436 PolarHBondContact O-N 2.96Å; L434-A437 PolarHBondContact O-N 3.3Å; L434-L438 HydrophobicContact CD1-CD1 3.9Å; L434-L438 HydrophobicContact CD1-CD2 4.47Å; L434-L438 HydrophobicContact CD1-CG 3.94Å; L434-L438 HydrophobicContact CG-CD1 3.95Å; L434-L438 HydrophobicContact CG-CG 4.38Å; L434-L438 WeakPolarHBondContact O-CG 3.25Å; L434-L438 PolarHBondContact O-N 3.36Å
435K98.3Very high95.7Very high56 Ų5661 Ų6124%0.24330%0.299CS..Hα-helixtrans-54.3-48.9175.4173.8173178.81720112L423 M431 A437 L438 I439 V452 N454L423-K435 HydrophobicContact CD1-CB 3.89Å; M431-K435 WeakPolarHBondContact O-CB 3.43Å; M431-K435 PolarHBondContact O-N 3.47Å; K435-A437 VanDerWaalsContact C-N 3.33Å; K435-A437 PolarHBondContact O-N 3.3Å; K435-L438 PolarHBondContact O-N 3.02Å; K435-I439 HydrophobicContact CG-CD1 3.79Å; K435-I439 HydrophobicContact CG-CG1 4.49Å; K435-I439 VanDerWaalsContact O-CG1 3.31Å; K435-I439 WeakPolarHBondContact O-CG1 3.46Å; K435-I439 PolarHBondContact O-N 3.44Å; K435-V452 HydrophobicContact CB-CG1 4.21Å; K435-V452 WeakPolarHBondContact CE-O 3.48Å; K435-V452 HydrophobicContact CG-CB 4.23Å; K435-V452 HydrophobicContact CG-CG1 3.91Å; K435-V452 PolarHBondContact NZ-O 3.14Å; K435-N454 HydrophobicContact CD-CB 4.17Å; K435-N454 VanDerWaalsContact CD-CG 3.47Å; K435-N454 WeakPolarHBondContact CD-OD1 3.38Å; K435-N454 PolarHBondContact NZ-OD1 2.75Å
436A97.9Very high95.2Very high40 Ų4069 Ų6933%0.33134%0.342SS..Hα-helixtrans-63.2-38.4179.900000112.5A432 R433 L434 R440A432-A436 PolarHBondContact O-N 2.79Å; R433-A436 PolarHBondContact O-N 3.33Å; L434-A436 VanDerWaalsContact C-N 3.33Å; L434-A436 PolarHBondContact O-N 2.96Å; A436-R440 VanDerWaalsContact O-CG 3.31Å; A436-R440 WeakPolarHBondContact O-CG 3.37Å; A436-R440 PolarHBondContact O-N 3.26Å; A436-R440 VanDerWaalsContact O-N 3.17Å
437A97.4Very high94.7Very high30 Ų3077.5 Ų77.525%0.24838%0.382CS..Hα-helixtrans-67-44.1176.700000112Y406 R433 L434 K435 R440 E441Y406-A437 HydrophobicContact CD2-CB 4.43Å; Y406-A437 HydrophobicContact CE2-CB 3.52Å; R433-A437 PolarHBondContact O-N 3.26Å; L434-A437 PolarHBondContact O-N 3.3Å; K435-A437 VanDerWaalsContact C-N 3.33Å; K435-A437 PolarHBondContact O-N 3.3Å; A437-R440 PolarHBondContact O-N 3.45Å; A437-E441 PolarHBondContact O-N 3.06Å
438L96.8Very high94.5Very high2 Ų275.3 Ų75.31%0.0137%0.373CS..Hα-helixtrans-63.6-43.1176.2-68.8173.4000112I413 L423 L434 K435 R440 E441 Y442 V452I413-L438 HydrophobicContact CD1-CD1 3.66Å; I413-L438 HydrophobicContact CD1-CD2 3.75Å; I413-L438 HydrophobicContact CD1-CG 4.38Å; L423-L438 HydrophobicContact CD2-CD1 4.34Å; L434-L438 HydrophobicContact CD1-CD1 3.9Å; L434-L438 HydrophobicContact CD1-CD2 4.47Å; L434-L438 HydrophobicContact CD1-CG 3.94Å; L434-L438 HydrophobicContact CG-CD1 3.95Å; L434-L438 HydrophobicContact CG-CG 4.38Å; L434-L438 WeakPolarHBondContact O-CG 3.25Å; L434-L438 PolarHBondContact O-N 3.36Å; K435-L438 PolarHBondContact O-N 3.02Å; L438-R440 VanDerWaalsContact C-N 3.34Å; L438-R440 PolarHBondContact O-N 3.31Å; L438-E441 WeakPolarHBondContact O-CB 3.49Å; L438-E441 PolarHBondContact O-N 3.1Å; L438-Y442 VanDerWaalsContact O-CD2 3.26Å; L438-Y442 WeakPolarHBondContact O-CD2 3.28Å; L438-Y442 PolarHBondContact O-N 2.98Å; L438-V452 HydrophobicContact CB-CG2 4.08Å; L438-V452 HydrophobicContact CD1-CG1 4.32Å
439I96.6Very high94.4Very high76 Ų7679 Ų7939%0.3939%0.39SS..Hα-helixtrans-58.9-47.5176.6-70.3167.9000110.6K435 E441 Y442 E443 V452K435-I439 HydrophobicContact CG-CD1 3.79Å; K435-I439 HydrophobicContact CG-CG1 4.49Å; K435-I439 VanDerWaalsContact O-CG1 3.31Å; K435-I439 WeakPolarHBondContact O-CG1 3.46Å; K435-I439 PolarHBondContact O-N 3.44Å; I439-E441 VanDerWaalsContact C-N 3.27Å; I439-E441 PolarHBondContact O-N 2.7Å; I439-Y442 PolarHBondContact O-N 2.77Å; I439-E443 PolarHBondContact O-N 3.02Å; I439-V452 HydrophobicContact CG1-CB 4.3Å; I439-V452 HydrophobicContact CG1-CG2 4.28Å
440R95.4Very high94.4Very high177 Ų17775.4 Ų75.467%0.66837%0.37SS*.Hα-helixtrans-61.8-34.1177.9-73.2173.1-175.3173.32.4112.9A436 A437 L438 Y442A436-R440 VanDerWaalsContact O-CG 3.31Å; A436-R440 WeakPolarHBondContact O-CG 3.37Å; A436-R440 PolarHBondContact O-N 3.26Å; A436-R440 VanDerWaalsContact O-N 3.17Å; A437-R440 PolarHBondContact O-N 3.45Å; L438-R440 VanDerWaalsContact C-N 3.34Å; L438-R440 PolarHBondContact O-N 3.31Å; R440-Y442 PolarHBondContact O-N 3.23Å
441E94.8Very high94.5Very high59 Ų5977.9 Ų77.928%0.27638%0.382SS..Hα-helixtrans-64.5-28.7179.5-170.5176.1158.100112.6Y406 S410 R414 A437 L438 I439Y406-E441 PolarHBondContact OH-OE2 2.96Å; Y406-E441 VanDerWaalsContact OH-OE2 3.08Å; S410-E441 VanDerWaalsContact OG-CD 3.24Å; S410-E441 PolarHBondContact OG-OE1 2.69Å; S410-E441 PolarHBondContact OG-OE2 3.26Å; R414-E441 IonicContact CZ-OE1 2.67Å; R414-E441 IonicContact NE-OE1 2.84Å; R414-E441 PolarHBondContact NE-OE1 3.2Å; R414-E441 IonicContact NH2-OE1 2.71Å; R414-E441 PolarHBondContact NH2-OE1 3.42Å; A437-E441 PolarHBondContact O-N 3.06Å; L438-E441 WeakPolarHBondContact O-CB 3.49Å; L438-E441 PolarHBondContact O-N 3.1Å; I439-E441 VanDerWaalsContact C-N 3.27Å; I439-E441 PolarHBondContact O-N 2.7Å
442Y93.6Very high94.5Very high21 Ų2178.4 Ų78.48%0.08239%0.385CS..Hα-helixtrans-111-3-177.3-63.5-80.7000114.2I413 R414 L438 I439 R440 D444 N445 V448 I450I413-Y442 HydrophobicContact CG2-CE2 4.24Å; R414-Y442 VanDerWaalsContact CA-OH 3.23Å; R414-Y442 WeakPolarHBondContact CA-OH 3.37Å; R414-Y442 WeakPolarHBondContact CB-OH 3.47Å; R414-Y442 PolarHBondContact N-OH 3.15Å; L438-Y442 VanDerWaalsContact O-CD2 3.26Å; L438-Y442 WeakPolarHBondContact O-CD2 3.28Å; L438-Y442 PolarHBondContact O-N 2.98Å; I439-Y442 PolarHBondContact O-N 2.77Å; R440-Y442 PolarHBondContact O-N 3.23Å; Y442-D444 VanDerWaalsContact C-N 3.32Å; Y442-D444 PolarHBondContact O-N 3.38Å; Y442-N445 PolarHBondContact O-N 3.26Å; Y442-V448 HydrophobicContact CD1-CB 4.29Å; Y442-V448 HydrophobicContact CD1-CG1 3.82Å; Y442-V448 HydrophobicContact CE1-CG1 3.97Å; Y442-I450 HydrophobicContact CD1-CD1 4.03Å; Y442-I450 HydrophobicContact CD1-CG1 4.46Å; Y442-I450 HydrophobicContact CD2-CD1 4.04Å; Y442-I450 HydrophobicContact CE1-CD1 3.76Å; Y442-I450 HydrophobicContact CE2-CD1 3.83Å; Y442-I450 HydrophobicContact CG-CD1 4.18Å; Y442-I450 HydrophobicContact CG-CG1 4.45Å
443E90.6Very high94.5Very high129 Ų12977.7 Ų77.760%0.60337%0.374SS*.THydrogen-bonded Turntrans-64.2-34.5-175.195.1179.1-129.200113.5I439 N445I439-E443 PolarHBondContact O-N 3.02Å; E443-N445 VanDerWaalsContact C-N 3.34Å
444D89.5Confident94.5Very high148 Ų14871 Ų7179%0.79135%0.351SS*.THydrogen-bonded Turntrans-88.12-178.7-68.4-37.2000113.2Y442Y442-D444 VanDerWaalsContact C-N 3.32Å; Y442-D444 PolarHBondContact O-N 3.38Å
445N88.7Confident94.6Very high65 Ų6571.1 Ų71.135%0.34835%0.352SS..  trans-107.694.8-174.6-167.9-23.1000112.5Y442 E443 E447 V448Y442-N445 PolarHBondContact O-N 3.26Å; E443-N445 VanDerWaalsContact C-N 3.34Å; N445-E447 PolarHBondContact O-N 2.71Å; N445-E447 VanDerWaalsContact O-N 3.12Å; N445-E447 WeakPolarHBondContact OD1-CB 3.38Å; N445-E447 PolarHBondContact OD1-N 2.9Å; N445-V448 PolarHBondContact O-N 2.94Å; N445-V448 PolarHBondContact OD1-N 3.45Å
446D86.8Confident94.6Very high171 Ų17175 Ų7591%0.91437%0.365SS*.THydrogen-bonded Turntrans-62-18.8178.9-68-38.7000114.3
447E87.7Confident94.6Very high179 Ų17974.1 Ų74.184%0.83635%0.354SS*.THydrogen-bonded Turntrans-87.8-21.1-178.7-61.2-173.4172.500113.4N445N445-E447 PolarHBondContact O-N 2.71Å; N445-E447 VanDerWaalsContact O-N 3.12Å; N445-E447 WeakPolarHBondContact OD1-CB 3.38Å; N445-E447 PolarHBondContact OD1-N 2.9Å
448V90.4Very high94.6Very high13 Ų1375.9 Ų75.98%0.07936%0.363CS..  trans-128.499.9-172.2-175.70000109.8K417 Y442 N445 I450K417-V448 HydrophobicContact CB-CG1 4.24Å; K417-V448 HydrophobicContact CD-CG1 3.98Å; K417-V448 HydrophobicContact CD-CG2 3.83Å; K417-V448 HydrophobicContact CG-CG1 4.2Å; Y442-V448 HydrophobicContact CD1-CB 4.29Å; Y442-V448 HydrophobicContact CD1-CG1 3.82Å; Y442-V448 HydrophobicContact CE1-CG1 3.97Å; N445-V448 PolarHBondContact O-N 2.94Å; N445-V448 PolarHBondContact OD1-N 3.45Å; V448-I450 HydrophobicContact CG1-CD1 4.1Å; V448-I450 HydrophobicContact CG1-CG1 3.99Å
449H93Very high94.7Very high152 Ų15280.3 Ų80.370%0.70438%0.383SS*.  trans-96.5117.1175.5-175.2-78.8000110.9
450I96.8Very high94.7Very high18 Ų1878.4 Ų78.49%0.09238%0.379CS..  trans-123.8122.5175.8-58-174.1000109I413 P418 V421 Y442 V448 V452I413-I450 HydrophobicContact CG2-CD1 3.86Å; P418-I450 WeakPolarHBondContact O-CG1 3.42Å; V421-I450 HydrophobicContact CB-CG2 4.37Å; V421-I450 HydrophobicContact CG2-CG2 3.62Å; Y442-I450 HydrophobicContact CD1-CD1 4.03Å; Y442-I450 HydrophobicContact CD1-CG1 4.46Å; Y442-I450 HydrophobicContact CD2-CD1 4.04Å; Y442-I450 HydrophobicContact CE1-CD1 3.76Å; Y442-I450 HydrophobicContact CE2-CD1 3.83Å; Y442-I450 HydrophobicContact CG-CD1 4.18Å; Y442-I450 HydrophobicContact CG-CG1 4.45Å; V448-I450 HydrophobicContact CG1-CD1 4.1Å; V448-I450 HydrophobicContact CG1-CG1 3.99Å; I450-V452 HydrophobicContact CG2-CG2 4.11Å
451E97.7Very high94.9Very high89 Ų8970.6 Ų70.642%0.41635%0.351SS..EExtended strand (participates in β ladder)trans-95.5122.6172.1-164.9178.5170.600110.1P419 H420 V421 H453P419-E451 PolarHBondContact O-N 3.33Å; H420-E451 WeakPolarHBondContact CA-O 3.32Å; H420-E451 IonicContact CE1-OE2 2.52Å; H420-E451 PolarHBondContact CE1-OE2 3.39Å; H420-E451 VanDerWaalsContact CE1-OE2 3.32Å; H420-E451 IonicContact ND1-OE2 2.98Å; V421-E451 PolarHBondContact N-O 2.77Å; E451-H453 IonicContact OE1-CE1 3.53Å; E451-H453 PolarHBondContact OE1-CE1 3.34Å; E451-H453 IonicContact OE1-NE2 3.34Å
452V98.4Very high95Very high11 Ų1171.1 Ų71.17%0.06736%0.358CS..EExtended strand (participates in β ladder)trans-106124.2-176.8-170.80000110.6V421 L423 K435 L438 I439 I450V421-V452 HydrophobicContact CB-CG1 4.46Å; V421-V452 HydrophobicContact CB-CG2 4.41Å; V421-V452 HydrophobicContact CG1-CG1 4.45Å; V421-V452 CarbonylContact O-C 3.48Å; V421-V452 WeakPolarHBondContact O-CA 3.22Å; L423-V452 HydrophobicContact CD1-CG1 3.96Å; L423-V452 HydrophobicContact CG-CG1 4.07Å; K435-V452 HydrophobicContact CB-CG1 4.21Å; K435-V452 WeakPolarHBondContact CE-O 3.48Å; K435-V452 HydrophobicContact CG-CB 4.23Å; K435-V452 HydrophobicContact CG-CG1 3.91Å; K435-V452 PolarHBondContact NZ-O 3.14Å; L438-V452 HydrophobicContact CB-CG2 4.08Å; L438-V452 HydrophobicContact CD1-CG1 4.32Å; I439-V452 HydrophobicContact CG1-CB 4.3Å; I439-V452 HydrophobicContact CG1-CG2 4.28Å; I450-V452 HydrophobicContact CG2-CG2 4.11Å
453H98.6Very high95.1Very high28 Ų2870.6 Ų70.613%0.1336%0.357CS..EExtended strand (participates in β ladder)trans-114150.2179.2-49.7-89.2000110.3H420 V421 I422 L423 E451 V461H420-H453 AromaticContact ND1-NE2 3.4Å; H420-H453 PolarHBondContact ND1-NE2 3.29Å; V421-H453 PolarHBondContact O-CD2 3.25Å; V421-H453 PolarHBondContact O-N 3.4Å; I422-H453 HydrophobicContact CG1-CB 4.15Å; L423-H453 PolarHBondContact N-O 3.43Å; E451-H453 IonicContact OE1-CE1 3.53Å; E451-H453 PolarHBondContact OE1-CE1 3.34Å; E451-H453 IonicContact OE1-NE2 3.34Å; H453-V461 HydrophobicContact CB-CG1 4.49Å; H453-V461 HydrophobicContact CB-CG2 4.13Å
454N98.3Very high95.2Very high28 Ų2869.7 Ų69.715%0.1536%0.356CS..  trans-14362.5176.861.6-33.7000109.9Q28 L423 M431 K435Q28-N454 PolarHBondContact NE2-O 3.42Å; L423-N454 HydrophobicContact CB-CB 4.29Å; M431-N454 HydrophobicContact CG-CB 3.96Å; M431-N454 HydrophobicContact SD-CB 3.74Å; K435-N454 HydrophobicContact CD-CB 4.17Å; K435-N454 VanDerWaalsContact CD-CG 3.47Å; K435-N454 WeakPolarHBondContact CD-OD1 3.38Å; K435-N454 PolarHBondContact NZ-OD1 2.75Å
455P98.5Very high95.2Very high2 Ų264.2 Ų64.21%0.01333%0.325CS..PPolyproline II helixtrans-61.3143.5-173.326.4-35.1000112.1P23 G27 I422 E459 V461P23-P455 HydrophobicContact CG-CB 4.06Å; P23-P455 HydrophobicContact CG-CG 3.61Å; G27-P455 CarbonylContact C-O 3.5Å; G27-P455 VanDerWaalsContact CA-O 3.3Å; G27-P455 WeakPolarHBondContact CA-O 3.19Å; I422-P455 HydrophobicContact CG2-CG 3.9Å; P455-E459 HydrophobicContact CB-CB 4.11Å; P455-E459 HydrophobicContact CB-CG 4.33Å; P455-V461 HydrophobicContact CB-CG2 3.92Å; P455-V461 HydrophobicContact CG-CG2 3.8Å
456R98.6Very high94.5Very high138 Ų13872 Ų7252%0.52135%0.35SS..PPolyproline II helixtrans-70.8164.3166-68.3176.7-176.9-127.4-4.7110.4Q28 Q428 T458 E459Q28-R456 HydrophobicContact CG-CG 4.06Å; Q28-R456 VanDerWaalsContact OE1-CG 3.24Å; Q428-R456 VanDerWaalsContact NE2-NH2 3.17Å; R456-T458 PolarHBondContact O-N 3.26Å; R456-E459 HydrophobicContact CB-CB 4.28Å; R456-E459 PolarHBondContact N-OE2 2.81Å; R456-E459 VanDerWaalsContact O-CB 3.28Å; R456-E459 WeakPolarHBondContact O-CB 3.14Å; R456-E459 PolarHBondContact O-N 2.75Å
457N98.4Very high93.4Very high20 Ų2065.6 Ų65.611%0.10732%0.324CS..THydrogen-bonded Turntrans-47.9138.2162.8-72.5-20.3000110.4P23 G25 A26 G27 E29 Y62 E459P23-N457 CarbonylContact O-C 3.58Å; P23-N457 WeakPolarHBondContact O-CA 3.14Å; G25-N457 VanDerWaalsContact C-OD1 3.24Å; G25-N457 WeakPolarHBondContact CA-OD1 3.44Å; G25-N457 PolarHBondContact N-OD1 3.41Å; A26-N457 PolarHBondContact N-OD1 2.77Å; G27-N457 WeakPolarHBondContact CA-OD1 3.44Å; G27-N457 PolarHBondContact N-OD1 3.47Å; G27-N457 PolarHBondContact O-N 3.02Å; E29-N457 PolarHBondContact OE1-ND2 3.18Å; E29-N457 PolarHBondContact OE2-ND2 2.94Å; Y62-N457 HydrophobicContact CD2-CB 3.88Å; Y62-N457 HydrophobicContact CE2-CB 3.71Å; N457-E459 PolarHBondContact O-N 3.1Å; N457-E459 VanDerWaalsContact O-N 3.16Å
458T98Very high92.5Very high68 Ų6865.5 Ų65.542%0.41732%0.324SS..THydrogen-bonded Turntrans71.6-14.5-177.281.20000115.8P23 Y62 L65 R456P23-T458 PolarHBondContact O-N 3.36Å; Y62-T458 HydrophobicContact CD2-CG2 4.08Å; Y62-T458 HydrophobicContact CG-CG2 4.06Å; L65-T458 HydrophobicContact CD1-CG2 3.35Å; R456-T458 PolarHBondContact O-N 3.26Å
459E98.4Very high91.7Very high94 Ų9470.3 Ų70.344%0.43934%0.344SS..PPolyproline II helixtrans-77.1123.9179-171.2-177171.500110.6P23 P455 R456 N457P23-E459 VanDerWaalsContact CD-O 3.32Å; P23-E459 WeakPolarHBondContact CD-O 3.41Å; P455-E459 HydrophobicContact CB-CB 4.11Å; P455-E459 HydrophobicContact CB-CG 4.33Å; R456-E459 HydrophobicContact CB-CB 4.28Å; R456-E459 PolarHBondContact N-OE2 2.81Å; R456-E459 VanDerWaalsContact O-CB 3.28Å; R456-E459 WeakPolarHBondContact O-CB 3.14Å; R456-E459 PolarHBondContact O-N 2.75Å; N457-E459 PolarHBondContact O-N 3.1Å; N457-E459 VanDerWaalsContact O-N 3.16Å
460A97.6Very high90.9Very high37 Ų3769.7 Ų69.731%0.30635%0.345SS..PPolyproline II helixtrans-91.7130.3179.400000111.6L20 I21 R22L20-A460 HydrophobicContact CD1-CB 3.84Å; L20-A460 HydrophobicContact CD2-CB 3.98Å; L20-A460 HydrophobicContact CG-CB 3.84Å; I21-A460 CarbonylContact O-C 3.59Å; I21-A460 WeakPolarHBondContact O-CA 3.49Å; R22-A460 HydrophobicContact CB-CB 4.47Å
461V98.3Very high90.3Very high13 Ų1371.5 Ų71.58%0.07936%0.362CS..EExtended strand (participates in β ladder)trans-89.8119.1164.2-176.50000107.9L20 I21 I422 H453 P455 L463L20-V461 WeakPolarHBondContact CA-O 3.27Å; I21-V461 PolarHBondContact N-O 3.31Å; I21-V461 PolarHBondContact O-N 2.91Å; I422-V461 HydrophobicContact CD1-CB 4.44Å; I422-V461 HydrophobicContact CD1-CG1 4.29Å; H453-V461 HydrophobicContact CB-CG1 4.49Å; H453-V461 HydrophobicContact CB-CG2 4.13Å; P455-V461 HydrophobicContact CB-CG2 3.92Å; P455-V461 HydrophobicContact CG-CG2 3.8Å; V461-L463 HydrophobicContact CG1-CD2 4.02Å; V461-L463 HydrophobicContact CG1-CG 4.1Å
462T97.6Very high89.8Confident70 Ų7074.1 Ų74.143%0.42937%0.373SS..EExtended strand (participates in β ladder)trans-108118.1-180-57.70000110Q18 L19Q18-T462 HydrophobicContact CB-CG2 4.39Å; Q18-T462 HydrophobicContact CG-CG2 4.22Å; L19-T462 WeakPolarHBondContact O-CA 3.41Å
463L95.4Very high89.4Confident9 Ų975.8 Ų75.85%0.04738%0.383CS..EExtended strand (participates in β ladder)trans-118.2146.3-179.9-56.7178.2000109.8Q18 L19 I207 H420 V461 F465Q18-L463 WeakPolarHBondContact CA-O 3.39Å; L19-L463 HydrophobicContact CD2-CD1 4.49Å; L19-L463 PolarHBondContact N-O 3.25Å; L19-L463 PolarHBondContact O-N 3.44Å; I207-L463 HydrophobicContact CD1-CD1 3.76Å; I207-L463 HydrophobicContact CG1-CD1 3.81Å; H420-L463 HydrophobicContact CB-CD1 3.95Å; V461-L463 HydrophobicContact CG1-CD2 4.02Å; V461-L463 HydrophobicContact CG1-CG 4.1Å; L463-F465 HydrophobicContact CB-CD2 4.25Å; L463-F465 HydrophobicContact CB-CE2 3.66Å; L463-F465 HydrophobicContact CD1-CE2 4.18Å
464N93.4Very high88.7Confident111 Ų11176.7 Ų76.759%0.59439%0.387SS*.EExtended strand (participates in β ladder)trans-109.6116.7180-68.5-70.2000110.5D17 Q18D17-N464 CarbonylContact O-C 3.45Å; D17-N464 WeakPolarHBondContact O-CA 3.33Å; Q18-N464 VanDerWaalsContact CG-OD1 3.27Å; Q18-N464 WeakPolarHBondContact CG-OD1 3.41Å
465F88.8Confident88.2Confident33 Ų3375.9 Ų75.915%0.14539%0.386CS..  trans-115100.8175.1-71.8-87000109.8D17 L19 F39 V179 D206 I207 L463 G467D17-F465 WeakPolarHBondContact CB-O 3.49Å; D17-F465 PolarHBondContact O-N 3.17Å; L19-F465 HydrophobicContact CB-CD2 4.03Å; L19-F465 HydrophobicContact CB-CE2 4.4Å; L19-F465 HydrophobicContact CD1-CD2 4.19Å; L19-F465 HydrophobicContact CD1-CE2 4.23Å; F39-F465 HydrophobicContact CE2-CB 4.39Å; F39-F465 HydrophobicContact CZ-CB 4.06Å; V179-F465 HydrophobicContact CG1-CD1 3.99Å; V179-F465 HydrophobicContact CG1-CD2 4.17Å; V179-F465 HydrophobicContact CG1-CE1 4.06Å; V179-F465 HydrophobicContact CG1-CE2 4.24Å; V179-F465 HydrophobicContact CG1-CG 4.05Å; V179-F465 HydrophobicContact CG1-CZ 4.18Å; V179-F465 HydrophobicContact CG2-CB 3.66Å; V179-F465 HydrophobicContact CG2-CD1 3.83Å; V179-F465 HydrophobicContact CG2-CD2 4.48Å; V179-F465 HydrophobicContact CG2-CG 3.72Å; D206-F465 HydrophobicContact CB-CE1 3.81Å; D206-F465 HydrophobicContact CB-CZ 4.15Å; I207-F465 HydrophobicContact CD1-CE2 3.65Å; I207-F465 HydrophobicContact CD1-CZ 3.81Å; I207-F465 HydrophobicContact CG1-CE2 4.18Å; I207-F465 HydrophobicContact CG1-CZ 3.85Å; L463-F465 HydrophobicContact CB-CD2 4.25Å; L463-F465 HydrophobicContact CB-CE2 3.66Å; L463-F465 HydrophobicContact CD1-CE2 4.18Å; F465-G467 PolarHBondContact O-N 3.14Å
466R74.8Confident87.6Confident228 Ų22878.7 Ų78.786%0.8641%0.406SS*.  trans-75.694.8171.1-69.3-175.9-177.4175.32.8108.7E468R466-E468 PolarHBondContact O-N 3.22Å
467G63.4Low87Confident37 Ų3774 Ų7438%0.38139%0.391SS..  trans-76.1115.717200000110.1F465 K469F465-G467 PolarHBondContact O-N 3.14Å; G467-K469 PolarHBondContact O-N 3.38Å
468E68.4Low86.4Confident177 Ų17775.4 Ų75.483%0.82741%0.405SS*.  trans-59.3119.7160.6-72-171.3171.600108.4R466 L470R466-E468 PolarHBondContact O-N 3.22Å; E468-L470 PolarHBondContact O-N 3.47Å
469K73.4Confident85.8Confident114 Ų11478.5 Ų78.550%0.49642%0.419SS..  trans-75.3102.5179.1-67.2-178.9-176.61770109.5E15 G467 A471 Y499E15-K469 VanDerWaalsContact CD-NZ 3.27Å; E15-K469 IonicContact OE1-NZ 3.23Å; E15-K469 PolarHBondContact OE1-NZ 3Å; E15-K469 IonicContact OE2-NZ 2.68Å; E15-K469 PolarHBondContact OE2-NZ 3.08Å; G467-K469 PolarHBondContact O-N 3.38Å; K469-A471 PolarHBondContact O-N 2.85Å; K469-Y499 HydrophobicContact CB-CD2 4.4Å; K469-Y499 HydrophobicContact CB-CE2 4.24Å; K469-Y499 HydrophobicContact CD-CE2 4.07Å; K469-Y499 HydrophobicContact CG-CE2 4.11Å
470L76.2Confident85Confident138 Ų13882.1 Ų82.172%0.72343%0.433SS*.  trans-80.7112.6175.8-72.4154.9000109.8E468E468-L470 PolarHBondContact O-N 3.47Å
471A84.4Confident84.3Confident56 Ų5689.8 Ų89.846%0.46346%0.46SS..EExtended strand (participates in β ladder)trans-100.5130.6169.600000110.6K469 L492 Y499K469-A471 PolarHBondContact O-N 2.85Å; A471-L492 HydrophobicContact CB-CD1 4.05Å; A471-Y499 CarbonylContact C-O 3.4Å; A471-Y499 WeakPolarHBondContact CA-O 3.37Å
472K87.8Confident83.5Confident145 Ų14592 Ų9263%0.6348%0.475SS*.EExtended strand (participates in β ladder)trans-97.8127.7176.9-65-178.7-178.1177.60110.5Y499 H500 I501K472-Y499 PolarHBondContact N-O 3.49Å; K472-H500 CarbonylContact O-C 3.6Å; K472-H500 VanDerWaalsContact O-CA 3.29Å; K472-H500 WeakPolarHBondContact O-CA 3.49Å; K472-I501 PolarHBondContact O-N 2.77Å
473V88.4Confident82.9Confident46 Ų4695.9 Ų95.928%0.27949%0.488SS..EExtended strand (participates in β ladder)trans-68.4135.5166.8-69.90000109.6L477 A478 V488 I501V473-L477 HydrophobicContact CB-CB 4.32Å; V473-A478 HydrophobicContact CG2-CB 4.25Å; V473-V488 HydrophobicContact CG1-CG1 4.07Å; V473-I501 HydrophobicContact CB-CG2 3.98Å; V473-I501 HydrophobicContact CG1-CG2 3.31Å
474M85Confident82.4Confident46 Ų46105.3 Ų105.323%0.22753%0.532CS..  trans-137.5164.3178.2-64.3-161.9-51.500110.9H500 I501 L502M474-H500 HydrophobicContact CE-CB 3.56Å; M474-H500 VanDerWaalsContact CE-ND1 3.29Å; M474-H500 WeakPolarHBondContact CE-ND1 3.45Å; M474-H500 PolarHBondContact SD-ND1 3.23Å; M474-I501 PolarHBondContact N-O 3.1Å; M474-L502 HydrophobicContact CB-CD2 3.53Å; M474-L502 HydrophobicContact CB-CG 4.33Å; M474-L502 HydrophobicContact CE-CD1 4.3Å; M474-L502 HydrophobicContact CE-CD2 4.22Å; M474-L502 HydrophobicContact CE-CG 4.42Å
475G87.2Confident82Confident12 Ų12103.9 Ų103.912%0.12454%0.544CS..G310 helixtrans66.1-145-176.500000112.5L477 A478G475-L477 PolarHBondContact O-N 2.93Å; G475-L477 VanDerWaalsContact O-N 3.14Å; G475-A478 WeakPolarHBondContact O-CB 3.45Å; G475-A478 PolarHBondContact O-N 3.46Å
476S87.1Confident81.9Confident61 Ų61107.1 Ų107.143%0.42756%0.559SS.*G310 helixtrans-62.6-23.5-175.3-47.80000112.9A478 D479 D506S476-A478 PolarHBondContact O-N 2.94Å; S476-D479 WeakPolarHBondContact O-CB 3.41Å; S476-D479 PolarHBondContact O-N 3.48Å; S476-D506 WeakPolarHBondContact CB-OD2 3.46Å; S476-D506 PolarHBondContact N-OD2 3.11Å; S476-D506 PolarHBondContact OG-OD2 3.09Å; S476-D506 VanDerWaalsContact OG-OD2 3.1Å
477L85.4Confident82.5Confident39 Ų39107.9 Ų107.920%0.20456%0.562CS.*G310 helixtrans-66.1-21.2173.5-83.7152.5000113.1V473 G475 V488 T503V473-L477 HydrophobicContact CB-CB 4.32Å; G475-L477 PolarHBondContact O-N 2.93Å; G475-L477 VanDerWaalsContact O-N 3.14Å; L477-V488 HydrophobicContact CD2-CG1 3.93Å; L477-T503 HydrophobicContact CD1-CG2 3.58Å; L477-T503 VanDerWaalsContact CD1-N 3.33Å; L477-T503 HydrophobicContact CG-CG2 3.57Å
478A85.8Confident83.5Confident49 Ų49109.1 Ų109.141%0.40556%0.562SS.*G310 helixtrans-92.8-4.4-179.900000113.4V473 G475 S476 K480V473-A478 HydrophobicContact CG2-CB 4.25Å; G475-A478 WeakPolarHBondContact O-CB 3.45Å; G475-A478 PolarHBondContact O-N 3.46Å; S476-A478 PolarHBondContact O-N 2.94Å; A478-K480 PolarHBondContact O-N 3.31Å; A478-K480 VanDerWaalsContact O-N 3.16Å
479D85.3Confident84.5Confident133 Ų133105.4 Ų105.471%0.71156%0.556SS**SBendtrans-58.9-30.1-178.8-71-9.4000112.7S476S476-D479 WeakPolarHBondContact O-CB 3.41Å; S476-D479 PolarHBondContact O-N 3.48Å
480K82Confident85.2Confident170 Ų170101.9 Ų101.974%0.73955%0.552SS**SBendtrans-119.3134.5173.1-65.8-176.9-176.7177.10109.5A478 C482A478-K480 PolarHBondContact O-N 3.31Å; A478-K480 VanDerWaalsContact O-N 3.16Å; K480-C482 PolarHBondContact O-N 3.27Å
481K82.1Confident85.8Confident198 Ų19898 Ų9886%0.86153%0.531SS*.PPolyproline II helixtrans-58.2124.6173.9-166.8174.6-176.4178.50109.6Q483K481-Q483 PolarHBondContact O-N 3.22Å
482C80.8Confident86Confident59 Ų59100.1 Ų100.140%0.39953%0.534SS..PPolyproline II helixtrans-60.9135179.2-60.10000110.9K480K480-C482 PolarHBondContact O-N 3.27Å
483Q86.4Confident86.1Confident153 Ų15394.3 Ų94.372%0.71551%0.511SS*.PPolyproline II helixtrans-102.1148173.9-62.5-1778.300110.4K481 G485 Q486K481-Q483 PolarHBondContact O-N 3.22Å; Q483-G485 PolarHBondContact O-N 3.4Å; Q483-Q486 HydrophobicContact CB-CB 4.5Å; Q483-Q486 VanDerWaalsContact N-OE1 3.07Å; Q483-Q486 WeakPolarHBondContact O-CB 3.37Å; Q483-Q486 PolarHBondContact O-N 3.06Å
484Q83.8Confident85.9Confident206 Ų20695.6 Ų95.696%0.96351%0.512SS*.THydrogen-bonded Turntrans-60.7131.1176.8-170.8173.18.100110.3Q486Q484-Q486 VanDerWaalsContact C-N 3.31Å
485G86.2Confident85.8Confident82 Ų82101.8 Ų101.885%0.84553%0.533SS*.THydrogen-bonded Turntrans84.8-6.1-176.100000115.1Q483Q483-G485 PolarHBondContact O-N 3.4Å
486Q86.4Confident85.6Confident100 Ų100103.9 Ų103.947%0.46754%0.542SS..  trans-67.2132.7172-174.9-177.7-8.600110.3Q483 Q484 V488Q483-Q486 HydrophobicContact CB-CB 4.5Å; Q483-Q486 VanDerWaalsContact N-OE1 3.07Å; Q483-Q486 WeakPolarHBondContact O-CB 3.37Å; Q483-Q486 PolarHBondContact O-N 3.06Å; Q484-Q486 VanDerWaalsContact C-N 3.31Å; Q486-V488 PolarHBondContact O-N 3.27Å
487R87Confident85.3Confident245 Ų245102.5 Ų102.593%0.92553%0.528SS*.  trans-70.6127.3168.9-77.2-171.3179.8-107.82109.8
488V85.6Confident85.1Confident62 Ų62103.8 Ų103.838%0.37654%0.54SS..  trans-113.5125.5172.1-173.80000107.5V473 L477 Q486 I501V473-V488 HydrophobicContact CG1-CG1 4.07Å; L477-V488 HydrophobicContact CD2-CG1 3.93Å; Q486-V488 PolarHBondContact O-N 3.27Å; V488-I501 HydrophobicContact CG1-CD1 3.89Å; V488-I501 HydrophobicContact CG1-CG2 4.44Å
489S88.1Confident85.2Confident100 Ų100102.9 Ų102.970%0.69953%0.527SS*.  trans-129.1129.2179.157.40000109.9
490G88.1Confident85.3Confident39 Ų3998.5 Ų98.540%0.40250%0.502SS..SBendtrans-177-176-179.200000111.3L502G490-L502 CarbonylContact C-O 3.12Å; G490-L502 VanDerWaalsContact CA-O 3.24Å; G490-L502 WeakPolarHBondContact CA-O 3.27Å
491I88.3Confident85.7Confident56 Ų5691.8 Ų91.829%0.28747%0.474SS..EExtended strand (participates in β ladder)trans-85.3126.6171.7-59.9-179.2000108V493 I501 L502 P504 L507 M515I491-V493 HydrophobicContact CG2-CG2 4.14Å; I491-I501 WeakPolarHBondContact O-CA 3.36Å; I491-L502 PolarHBondContact N-O 3.24Å; I491-L502 PolarHBondContact O-N 2.83Å; I491-P504 HydrophobicContact CD1-CB 3.92Å; I491-P504 HydrophobicContact CD1-CG 3.99Å; I491-P504 HydrophobicContact CG1-CG 4.11Å; I491-L507 HydrophobicContact CD1-CD2 4.31Å; I491-L507 HydrophobicContact CG2-CD1 4.47Å; I491-M515 HydrophobicContact CD1-SD 4.18Å
492L90.2Very high86.1Confident102 Ų10282.3 Ų82.353%0.53443%0.433SS..EExtended strand (participates in β ladder)trans-88.9116172.4-173.675.2000109.2A471 Y499 H500 I501A471-L492 HydrophobicContact CB-CD1 4.05Å; L492-Y499 HydrophobicContact CD1-CD1 4.5Å; L492-Y499 HydrophobicContact CD2-CD1 4.15Å; L492-Y499 HydrophobicContact CG-CD1 4.4Å; L492-H500 CarbonylContact C-O 3.46Å; L492-H500 WeakPolarHBondContact CA-O 3.5Å; L492-I501 HydrophobicContact CD1-CB 4.38Å
493V88Confident86.5Confident23 Ų2380.6 Ų80.614%0.13942%0.42CS..EExtended strand (participates in β ladder)trans-104.1124175.8-176.50000108.8I491 H500 L502 L507 T511I491-V493 HydrophobicContact CG2-CG2 4.14Å; V493-H500 PolarHBondContact N-O 3.22Å; V493-H500 PolarHBondContact O-N 2.89Å; V493-L502 HydrophobicContact CG2-CD1 4.05Å; V493-L507 HydrophobicContact CG2-CD1 3.63Å; V493-T511 HydrophobicContact CG1-CG2 4.07Å; V493-T511 HydrophobicContact CG2-CG2 4.29Å
494K85.6Confident86.5Confident72 Ų7276.4 Ų76.431%0.31341%0.406SS..EExtended strand (participates in β ladder)trans-101.7118.6172.8-179.9-174.4177-171.70108.3E14 E15 N496 Y499E14-K494 IonicContact OE2-NZ 3.55Å; E14-K494 PolarHBondContact OE2-NZ 3.12Å; E15-K494 IonicContact OE1-NZ 3.32Å; K494-N496 WeakPolarHBondContact CE-O 3.36Å; K494-N496 WeakPolarHBondContact CG-O 3.5Å; K494-Y499 HydrophobicContact CB-CD1 4.08Å; K494-Y499 HydrophobicContact CB-CE1 3.98Å; K494-Y499 HydrophobicContact CD-CE1 3.82Å; K494-Y499 HydrophobicContact CG-CD1 4.2Å; K494-Y499 HydrophobicContact CG-CE1 3.77Å
495R82.3Confident86.6Confident176 Ų17670.7 Ų70.766%0.66439%0.389SS*.EExtended strand (participates in β ladder)trans-115.4107.3168.3-172.5176.6-178.6166.53.1107.9F497 S498R495-F497 PolarHBondContact O-N 2.94Å; R495-S498 PolarHBondContact N-O 2.93Å; R495-S498 PolarHBondContact O-N 3.41Å
496N82.4Confident86.6Confident56 Ų5667.4 Ų67.430%0.29935%0.352SS..THydrogen-bonded Turntrans53.4-117.3-167.9-57.9-32.2000110.7E152 G155 K494E152-N496 PolarHBondContact OE1-ND2 3.29Å; G155-N496 WeakPolarHBondContact CA-ND2 3.2Å; G155-N496 PolarHBondContact N-ND2 3.3Å; K494-N496 WeakPolarHBondContact CE-O 3.36Å; K494-N496 WeakPolarHBondContact CG-O 3.5Å
497F81.3Confident86.6Confident33 Ų3363.1 Ų63.115%0.14533%0.332CS..THydrogen-bonded Turntrans-97.90.6177.7-53.3-65.8000113.6K40 R42 G155 I176 A177 R495 Y499K40-F497 HydrophobicContact CB-CD1 4.34Å; K40-F497 HydrophobicContact CB-CE1 3.46Å; K40-F497 VanDerWaalsContact CB-CE1 3.46Å; K40-F497 HydrophobicContact CB-CZ 3.9Å; K40-F497 HydrophobicContact CD-CD1 4.15Å; K40-F497 HydrophobicContact CD-CE1 4.1Å; K40-F497 HydrophobicContact CG-CE1 4.4Å; R42-F497 HydrophobicContact CG-CE2 4.27Å; R42-F497 HydrophobicContact CG-CZ 3.89Å; G155-F497 WeakPolarHBondContact O-CD2 3.48Å; I176-F497 HydrophobicContact CG2-CD2 4.18Å; I176-F497 HydrophobicContact CG2-CE2 3.61Å; I176-F497 HydrophobicContact CG2-CZ 3.86Å; A177-F497 HydrophobicContact CB-CB 3.93Å; A177-F497 HydrophobicContact CB-CD1 4.08Å; A177-F497 HydrophobicContact CB-CD2 4.48Å; A177-F497 HydrophobicContact CB-CG 3.89Å; R495-F497 PolarHBondContact O-N 2.94Å; F497-Y499 WeakPolarHBondContact O-CD2 3.41Å
498S81.3Confident86.4Confident66 Ų6654.9 Ų54.946%0.46231%0.313SS..EExtended strand (participates in β ladder)trans-90.6127.2177.6-64.20000110.7R495R495-S498 PolarHBondContact N-O 2.93Å; R495-S498 PolarHBondContact O-N 3.41Å
499Y87.3Confident86.4Confident30 Ų3057.5 Ų57.512%0.11832%0.324CS..EExtended strand (participates in β ladder)trans-106.6132.1177.5-64.6-90000110.3K469 A471 K472 L492 K494 F497K469-Y499 HydrophobicContact CB-CD2 4.4Å; K469-Y499 HydrophobicContact CB-CE2 4.24Å; K469-Y499 HydrophobicContact CD-CE2 4.07Å; K469-Y499 HydrophobicContact CG-CE2 4.11Å; A471-Y499 CarbonylContact C-O 3.4Å; A471-Y499 WeakPolarHBondContact CA-O 3.37Å; K472-Y499 PolarHBondContact N-O 3.49Å; L492-Y499 HydrophobicContact CD1-CD1 4.5Å; L492-Y499 HydrophobicContact CD2-CD1 4.15Å; L492-Y499 HydrophobicContact CG-CD1 4.4Å; K494-Y499 HydrophobicContact CB-CD1 4.08Å; K494-Y499 HydrophobicContact CB-CE1 3.98Å; K494-Y499 HydrophobicContact CD-CE1 3.82Å; K494-Y499 HydrophobicContact CG-CD1 4.2Å; K494-Y499 HydrophobicContact CG-CE1 3.77Å; F497-Y499 WeakPolarHBondContact O-CD2 3.41Å
500H88.9Confident86.1Confident40 Ų4058.7 Ų58.719%0.18531%0.314CS..EExtended strand (participates in β ladder)trans-129.1137.1177.4-63.5-71.2000110K472 M474 L492 V493K472-H500 CarbonylContact O-C 3.6Å; K472-H500 VanDerWaalsContact O-CA 3.29Å; K472-H500 WeakPolarHBondContact O-CA 3.49Å; M474-H500 HydrophobicContact CE-CB 3.56Å; M474-H500 VanDerWaalsContact CE-ND1 3.29Å; M474-H500 WeakPolarHBondContact CE-ND1 3.45Å; M474-H500 PolarHBondContact SD-ND1 3.23Å; L492-H500 CarbonylContact C-O 3.46Å; L492-H500 WeakPolarHBondContact CA-O 3.5Å; V493-H500 PolarHBondContact N-O 3.22Å; V493-H500 PolarHBondContact O-N 2.89Å
501I90.6Very high85.8Confident29 Ų2958.2 Ų58.215%0.14930%0.304CS..EExtended strand (participates in β ladder)trans-110.6123.8171.9-170.2165000109.2K472 V473 M474 V488 I491 L492K472-I501 PolarHBondContact O-N 2.77Å; V473-I501 HydrophobicContact CB-CG2 3.98Å; V473-I501 HydrophobicContact CG1-CG2 3.31Å; M474-I501 PolarHBondContact N-O 3.1Å; V488-I501 HydrophobicContact CG1-CD1 3.89Å; V488-I501 HydrophobicContact CG1-CG2 4.44Å; I491-I501 WeakPolarHBondContact O-CA 3.36Å; L492-I501 HydrophobicContact CD1-CB 4.38Å
502L90.3Very high85.5Confident0 Ų063.3 Ų63.30%033%0.331CS..EExtended strand (participates in β ladder)trans-128155.3-171.9-73.7160000110M474 G490 I491 V493 D506 L507 Y510 T511M474-L502 HydrophobicContact CB-CD2 3.53Å; M474-L502 HydrophobicContact CB-CG 4.33Å; M474-L502 HydrophobicContact CE-CD1 4.3Å; M474-L502 HydrophobicContact CE-CD2 4.22Å; M474-L502 HydrophobicContact CE-CG 4.42Å; G490-L502 CarbonylContact C-O 3.12Å; G490-L502 VanDerWaalsContact CA-O 3.24Å; G490-L502 WeakPolarHBondContact CA-O 3.27Å; I491-L502 PolarHBondContact N-O 3.24Å; I491-L502 PolarHBondContact O-N 2.83Å; V493-L502 HydrophobicContact CG2-CD1 4.05Å; L502-D506 HydrophobicContact CD2-CB 4.17Å; L502-L507 HydrophobicContact CD1-CD1 4.35Å; L502-Y510 HydrophobicContact CD2-CD2 3.68Å; L502-Y510 HydrophobicContact CD2-CE2 4.39Å; L502-Y510 HydrophobicContact CD2-CG 3.98Å; L502-T511 HydrophobicContact CD1-CG2 3.94Å
503T88.7Confident85.1Confident23 Ų2363.1 Ų63.114%0.14133%0.33CS..  trans-74.9152.2165.968.40000108.9L477 S505 D506 L507L477-T503 HydrophobicContact CD1-CG2 3.58Å; L477-T503 VanDerWaalsContact CD1-N 3.33Å; L477-T503 HydrophobicContact CG-CG2 3.57Å; T503-S505 PolarHBondContact O-N 2.88Å; T503-S505 PolarHBondContact OG1-OG 3.27Å; T503-D506 PolarHBondContact O-N 3.49Å; T503-D506 WeakPolarHBondContact OG1-CB 3.42Å; T503-D506 PolarHBondContact OG1-N 3.01Å; T503-D506 PolarHBondContact OG1-OD2 3.48Å; T503-L507 PolarHBondContact O-N 3.4Å
504P85.8Confident84.4Confident64 Ų6465.6 Ų65.642%0.41635%0.353SS..G310 helixtrans-55.3-34.8175.6-25.233.3000113.6I491 D506 L507 M515I491-P504 HydrophobicContact CD1-CB 3.92Å; I491-P504 HydrophobicContact CD1-CG 3.99Å; I491-P504 HydrophobicContact CG1-CG 4.11Å; P504-D506 VanDerWaalsContact C-N 3.33Å; P504-L507 WeakPolarHBondContact O-CB 3.31Å; P504-L507 PolarHBondContact O-N 2.91Å; P504-M515 HydrophobicContact CB-CE 4.3Å; P504-M515 WeakPolarHBondContact O-CG 2.81Å
505S85.4Confident83.9Confident87 Ų8767.4 Ų67.461%0.60836%0.364SS*.G310 helixtrans-70.4-26177.542.80000113.8T503T503-S505 PolarHBondContact O-N 2.88Å; T503-S505 PolarHBondContact OG1-OG 3.27Å
506D87.4Confident83.7Confident13 Ų1364.1 Ų64.17%0.0737%0.368CS..G310 helixtrans-86.6-8.4178.9-70.4-40.4000112.8S476 L502 T503 P504 S508 N509 Y510S476-D506 WeakPolarHBondContact CB-OD2 3.46Å; S476-D506 PolarHBondContact N-OD2 3.11Å; S476-D506 PolarHBondContact OG-OD2 3.09Å; S476-D506 VanDerWaalsContact OG-OD2 3.1Å; L502-D506 HydrophobicContact CD2-CB 4.17Å; T503-D506 PolarHBondContact O-N 3.49Å; T503-D506 WeakPolarHBondContact OG1-CB 3.42Å; T503-D506 PolarHBondContact OG1-N 3.01Å; T503-D506 PolarHBondContact OG1-OD2 3.48Å; P504-D506 VanDerWaalsContact C-N 3.33Å; D506-S508 VanDerWaalsContact C-N 3.34Å; D506-S508 PolarHBondContact O-N 3.14Å; D506-N509 WeakPolarHBondContact O-CB 3.39Å; D506-N509 PolarHBondContact O-N 3.47Å; D506-Y510 HydrophobicContact CB-CD2 4Å; D506-Y510 HydrophobicContact CB-CE2 4.09Å; D506-Y510 WeakPolarHBondContact O-CD2 3.45Å; D506-Y510 PolarHBondContact O-N 3.39Å
507L85.1Confident83.8Confident9 Ų966.5 Ų66.55%0.04739%0.385CS..Hα-helixtrans-58-45.4-170.7-167.867.5000112.1I491 V493 L502 T503 P504 N509 Y510 T511 L513 M515I491-L507 HydrophobicContact CD1-CD2 4.31Å; I491-L507 HydrophobicContact CG2-CD1 4.47Å; V493-L507 HydrophobicContact CG2-CD1 3.63Å; L502-L507 HydrophobicContact CD1-CD1 4.35Å; T503-L507 PolarHBondContact O-N 3.4Å; P504-L507 WeakPolarHBondContact O-CB 3.31Å; P504-L507 PolarHBondContact O-N 2.91Å; L507-N509 VanDerWaalsContact C-N 3.25Å; L507-N509 PolarHBondContact O-N 3.21Å; L507-Y510 PolarHBondContact O-N 3.45Å; L507-T511 HydrophobicContact CD1-CG2 4.06Å; L507-T511 WeakPolarHBondContact CG-OG1 3.49Å; L507-T511 WeakPolarHBondContact O-CA 3.3Å; L507-T511 WeakPolarHBondContact O-CB 3.28Å; L507-T511 PolarHBondContact O-N 3.08Å; L507-T511 PolarHBondContact O-OG1 3.31Å; L507-L513 HydrophobicContact CD2-CB 3.88Å; L507-L513 HydrophobicContact CG-CB 4.04Å; L507-M515 HydrophobicContact CB-CG 4.41Å; L507-M515 HydrophobicContact CD2-CG 4.06Å; L507-M515 HydrophobicContact CD2-SD 3.96Å
508S84.8Confident84.3Confident73 Ų7369.1 Ų69.151%0.5140%0.403SS..Hα-helixtrans-71.3-17.3178.955.60000114.1D506D506-S508 VanDerWaalsContact C-N 3.34Å; D506-S508 PolarHBondContact O-N 3.14Å
509N85Confident84.9Confident116 Ų11671.8 Ų71.862%0.6241%0.407SS*.Hα-helixtrans-82.7-27.9179.3-65.4-23.4000111.7D506 L507D506-N509 WeakPolarHBondContact O-CB 3.39Å; D506-N509 PolarHBondContact O-N 3.47Å; L507-N509 VanDerWaalsContact C-N 3.25Å; L507-N509 PolarHBondContact O-N 3.21Å
510Y82.2Confident85.2Confident126 Ų12674.1 Ų74.149%0.49442%0.419SS..Hα-helixtrans-119.5-8.5-172.9-64.7-82.6000114L502 D506 L507L502-Y510 HydrophobicContact CD2-CD2 3.68Å; L502-Y510 HydrophobicContact CD2-CE2 4.39Å; L502-Y510 HydrophobicContact CD2-CG 3.98Å; D506-Y510 HydrophobicContact CB-CD2 4Å; D506-Y510 HydrophobicContact CB-CE2 4.09Å; D506-Y510 WeakPolarHBondContact O-CD2 3.45Å; D506-Y510 PolarHBondContact O-N 3.39Å; L507-Y510 PolarHBondContact O-N 3.45Å
511T82.1Confident85.5Confident29 Ų2976.2 Ų76.218%0.17843%0.434CS..SBendtrans-138.6160.5-179.674.70000110.7V493 L502 L507 L513V493-T511 HydrophobicContact CG1-CG2 4.07Å; V493-T511 HydrophobicContact CG2-CG2 4.29Å; L502-T511 HydrophobicContact CD1-CG2 3.94Å; L507-T511 HydrophobicContact CD1-CG2 4.06Å; L507-T511 WeakPolarHBondContact CG-OG1 3.49Å; L507-T511 WeakPolarHBondContact O-CA 3.3Å; L507-T511 WeakPolarHBondContact O-CB 3.28Å; L507-T511 PolarHBondContact O-N 3.08Å; L507-T511 PolarHBondContact O-OG1 3.31Å; T511-L513 PolarHBondContact O-N 2.98Å; T511-L513 WeakPolarHBondContact OG1-CB 3.39Å; T511-L513 PolarHBondContact OG1-N 3.39Å
512D81.9Confident85.7Confident162 Ų16278.2 Ų78.287%0.86644%0.443SS*.SBendtrans-74.92.3173.1-52.3-45.5000112.4
513L80.1Confident85.9Confident98 Ų9881.2 Ų81.251%0.51347%0.468SS..PPolyproline II helixtrans-87.4125.9178.8-57174.6000109.7L507 T511L507-L513 HydrophobicContact CD2-CB 3.88Å; L507-L513 HydrophobicContact CG-CB 4.04Å; T511-L513 PolarHBondContact O-N 2.98Å; T511-L513 WeakPolarHBondContact OG1-CB 3.39Å; T511-L513 PolarHBondContact OG1-N 3.39Å
514A74.8Confident86.1Confident75 Ų7580.5 Ų80.562%0.6246%0.464SS*.PPolyproline II helixtrans-96.2144.1170.800000110.6
515M75.4Confident86.4Confident110 Ų11082.1 Ų82.154%0.54247%0.474SS..PPolyproline II helixtrans-82.8123.9167.4-75.1-66.8-66.100109.1I491 P504 L507I491-M515 HydrophobicContact CD1-SD 4.18Å; P504-M515 HydrophobicContact CB-CE 4.3Å; P504-M515 WeakPolarHBondContact O-CG 2.81Å; L507-M515 HydrophobicContact CB-CG 4.41Å; L507-M515 HydrophobicContact CD2-CG 4.06Å; L507-M515 HydrophobicContact CD2-SD 3.96Å
516S78.1Confident86.6Confident108 Ų10878 Ų7876%0.75545%0.445SS*.  trans-112.6137.1173.1-64.60000109.3
517T84.2Confident86.5Confident105 Ų10580.6 Ų80.664%0.64446%0.462SS*.  trans-110.9125.9173.1-54.70000108.4I575T517-I575 HydrophobicContact CG2-CB 4.31Å; T517-I575 HydrophobicContact CG2-CD1 4.24Å; T517-I575 HydrophobicContact CG2-CG1 4.12Å; T517-I575 HydrophobicContact CG2-CG2 3.34Å
518V90.9Very high86.2Confident88 Ų8880.5 Ų80.553%0.53346%0.463SS..  trans-89.6115.4175.8-178.60000107.6Q520 A576V518-Q520 HydrophobicContact CG1-CG 4.25Å; V518-A576 HydrophobicContact CB-CB 4.07Å; V518-A576 HydrophobicContact CG1-CB 4.13Å; V518-A576 WeakPolarHBondContact O-CB 3.49Å; V518-A576 PolarHBondContact O-N 3.25Å
519K93.5Very high86.1Confident122 Ų12278.7 Ų78.753%0.5345%0.449SS..EExtended strand (participates in β ladder)trans-89.1124.7166-170.4-174.7-178.5-163.80107.6E573 W574K519-E573 WeakPolarHBondContact CE-OE1 3.35Å; K519-E573 WeakPolarHBondContact CE-OE2 3.47Å; K519-E573 IonicContact NZ-OE1 3.24Å; K519-E573 PolarHBondContact NZ-OE1 3Å; K519-E573 IonicContact NZ-OE2 3.06Å; K519-E573 PolarHBondContact NZ-OE2 2.66Å; K519-W574 WeakPolarHBondContact CA-O 3.4Å
520Q94.7Very high86Confident79 Ų7974.6 Ų74.637%0.36943%0.427SS..EExtended strand (participates in β ladder)trans-100.7141.6172.3-79.2-177.1-9.300109.7V518 E573 W574 A576V518-Q520 HydrophobicContact CG1-CG 4.25Å; Q520-E573 WeakPolarHBondContact O-CA 3.47Å; Q520-W574 HydrophobicContact CB-CD2 4.08Å; Q520-W574 HydrophobicContact CB-CE3 4.42Å; Q520-W574 HydrophobicContact CB-CH2 4.09Å; Q520-W574 HydrophobicContact CB-CZ2 3.71Å; Q520-W574 HydrophobicContact CB-CZ3 4.41Å; Q520-W574 PolarHBondContact N-O 2.88Å; Q520-W574 PolarHBondContact O-N 3.48Å; Q520-A576 HydrophobicContact CG-CB 3.96Å
521T94.5Very high86.1Confident84 Ų8472.8 Ų72.852%0.51543%0.433SS..EExtended strand (participates in β ladder)trans-130.2126.8176.2-59.20000107.9V571 L572 E573T521-V571 HydrophobicContact CG2-CG1 3.46Å; T521-V571 VanDerWaalsContact CG2-CG1 3.46Å; T521-L572 CarbonylContact C-O 3.59Å; T521-L572 VanDerWaalsContact CA-O 3.22Å; T521-L572 WeakPolarHBondContact CA-O 3.35Å; T521-E573 HydrophobicContact CG2-CG 4.04Å; T521-E573 PolarHBondContact OG1-OE1 2.97Å
522Q94.8Very high86.2Confident71 Ų7174 Ų7433%0.33244%0.438SS..EExtended strand (participates in β ladder)trans-126.1121178.5-172.6177.626.400109.9I524 V571 L572 W574 T588Q522-I524 HydrophobicContact CG-CG1 4.12Å; Q522-V571 WeakPolarHBondContact O-CA 3.26Å; Q522-L572 HydrophobicContact CB-CB 4.39Å; Q522-L572 PolarHBondContact N-O 3.17Å; Q522-L572 PolarHBondContact O-N 2.99Å; Q522-W574 HydrophobicContact CB-CH2 3.95Å; Q522-W574 HydrophobicContact CB-CZ3 3.88Å; Q522-T588 PolarHBondContact OE1-OG1 2.83Å; Q522-T588 VanDerWaalsContact OE1-OG1 3.05Å
523A94.4Very high86.5Confident64 Ų6466.2 Ų66.253%0.52940%0.396SS..EExtended strand (participates in β ladder)trans-92.3123.8173.300000109.7M569A523-M569 HydrophobicContact CB-CE 3.35Å
524I93.6Very high86.9Confident8 Ų861.8 Ų61.84%0.04137%0.373CS..EExtended strand (participates in β ladder)trans-119.9123.2178-53.9171.4000108.6Q522 F526 M569 V570 L572 T588 V591 L592Q522-I524 HydrophobicContact CG-CG1 4.12Å; I524-F526 PolarHBondContact O-N 2.76Å; I524-M569 CarbonylContact O-C 3.56Å; I524-M569 VanDerWaalsContact O-CA 3.3Å; I524-M569 WeakPolarHBondContact O-CA 3.4Å; I524-M569 WeakPolarHBondContact O-CB 3.41Å; I524-V570 HydrophobicContact CB-CG2 4.05Å; I524-V570 PolarHBondContact N-O 3.14Å; I524-V570 PolarHBondContact O-N 3.32Å; I524-L572 HydrophobicContact CD1-CD1 3.49Å; I524-L572 VanDerWaalsContact CD1-CD1 3.49Å; I524-T588 HydrophobicContact CD1-CG2 3.7Å; I524-T588 WeakPolarHBondContact CD1-OG1 3.32Å; I524-V591 HydrophobicContact CB-CG1 4.12Å; I524-V591 HydrophobicContact CD1-CB 4.35Å; I524-V591 HydrophobicContact CD1-CG1 4.21Å; I524-V591 HydrophobicContact CG2-CG1 3.7Å; I524-L592 HydrophobicContact CG2-CD2 3.8Å; I524-L592 HydrophobicContact CG2-CG 4.44Å
525P90.6Very high87.4Confident98 Ų9860.8 Ų60.864%0.63636%0.362SS*.EExtended strand (participates in β ladder)trans-56.6125.2172.7-24.334.2000110.9
526F89.8Confident88Confident0 Ų058.5 Ų58.50%035%0.35CS..  trans-150.2120.4-176-175.8-99.8000109.5I524 G528 L533 G568 M569 V570 V591 V594 Q595I524-F526 PolarHBondContact O-N 2.76Å; F526-G528 WeakPolarHBondContact CE1-O 3.28Å; F526-L533 HydrophobicContact CD1-CD2 4.23Å; F526-L533 HydrophobicContact CD2-CD2 4.47Å; F526-L533 HydrophobicContact CE1-CB 4.22Å; F526-L533 HydrophobicContact CE1-CD2 3.84Å; F526-L533 HydrophobicContact CE2-CB 4.44Å; F526-L533 HydrophobicContact CE2-CD1 4.48Å; F526-L533 HydrophobicContact CE2-CD2 4.13Å; F526-L533 HydrophobicContact CZ-CB 3.74Å; F526-L533 HydrophobicContact CZ-CD2 3.82Å; F526-L533 HydrophobicContact CZ-CG 4.25Å; F526-G568 PolarHBondContact N-O 2.68Å; F526-G568 CarbonylContact O-C 3.55Å; F526-G568 WeakPolarHBondContact O-CA 3.45Å; F526-M569 PolarHBondContact O-N 2.96Å; F526-M569 VanDerWaalsContact O-N 3.16Å; F526-V570 HydrophobicContact CB-CB 4.45Å; F526-V570 HydrophobicContact CB-CG1 3.95Å; F526-V570 HydrophobicContact CB-CG2 4.03Å; F526-V570 HydrophobicContact CD1-CG1 3.77Å; F526-V570 HydrophobicContact CG-CG1 3.99Å; F526-V591 HydrophobicContact CB-CG1 4.48Å; F526-V591 HydrophobicContact CD2-CG1 4.01Å; F526-V594 HydrophobicContact CE2-CB 4.17Å; F526-V594 HydrophobicContact CE2-CG1 3.82Å; F526-V594 HydrophobicContact CZ-CG1 4.04Å; F526-Q595 HydrophobicContact CD2-CB 4.06Å; F526-Q595 HydrophobicContact CE2-CB 4.46Å
527T85.2Confident88.6Confident68 Ų6853.4 Ų53.442%0.41731%0.314SS..  trans-1191-178.355.80000111.9Q595T527-Q595 PolarHBondContact OG1-NE2 2.94Å; T527-Q595 PolarHBondContact OG1-OE1 3Å
528G78.8Confident88.9Confident7 Ų753.2 Ų53.27%0.07230%0.302CS..SBendtrans-75.4168.7-179.700000113.7F526 I530F526-G528 WeakPolarHBondContact CE1-O 3.28Å; G528-I530 PolarHBondContact O-N 3.41Å
529P83.1Confident88.7Confident34 Ų3455.4 Ų55.422%0.22131%0.31CS..  trans-65.7127.8173-18.531.5000111.5S531 L532 L533 V603P529-S531 PolarHBondContact O-N 2.8Å; P529-L532 HydrophobicContact CB-CB 4.34Å; P529-L532 WeakPolarHBondContact O-CB 3.11Å; P529-L532 PolarHBondContact O-N 3.36Å; P529-L532 VanDerWaalsContact O-N 3.09Å; P529-L533 PolarHBondContact O-N 2.85Å; P529-V603 HydrophobicContact CG-CG1 4.47Å
530I84.1Confident88.5Confident30 Ų3052.8 Ų52.815%0.15430%0.302CS..Hα-helixtrans-60.7-30.6178.9-169.754.7000113G528 L532 L533 A534 I553 L555 L563 H565G528-I530 PolarHBondContact O-N 3.41Å; I530-L532 VanDerWaalsContact C-N 3.32Å; I530-L532 PolarHBondContact O-N 2.8Å; I530-L533 HydrophobicContact CD1-CB 4.4Å; I530-L533 HydrophobicContact CD1-CD2 4.02Å; I530-L533 PolarHBondContact O-N 3.17Å; I530-A534 WeakPolarHBondContact O-CB 3.45Å; I530-A534 PolarHBondContact O-N 3.34Å; I530-I553 HydrophobicContact CG1-CG2 3.88Å; I530-I553 HydrophobicContact CG2-CD1 3.77Å; I530-L555 HydrophobicContact CD1-CD1 4.23Å; I530-L563 HydrophobicContact CD1-CD2 4.35Å; I530-H565 HydrophobicContact CD1-CB 3.82Å; I530-H565 HydrophobicContact CG1-CB 4.09Å
531S82.9Confident88.1Confident88 Ų8850.1 Ų50.162%0.61529%0.294SS*.Hα-helixtrans-64.2-36.417653.50000112.6P529 S535P529-S531 PolarHBondContact O-N 2.8Å; S531-S535 PolarHBondContact O-N 3.45Å; S531-S535 VanDerWaalsContact O-N 3.13Å
532L85.1Confident87.5Confident54 Ų5448.6 Ų48.628%0.28330%0.295SS..Hα-helixtrans-69.4-46.7174.9-179.165.8000110.3P529 I530 A534 S535 H536 V594 A600P529-L532 HydrophobicContact CB-CB 4.34Å; P529-L532 WeakPolarHBondContact O-CB 3.11Å; P529-L532 PolarHBondContact O-N 3.36Å; P529-L532 VanDerWaalsContact O-N 3.09Å; I530-L532 VanDerWaalsContact C-N 3.32Å; I530-L532 PolarHBondContact O-N 2.8Å; L532-A534 VanDerWaalsContact C-N 3.32Å; L532-A534 PolarHBondContact O-N 2.87Å; L532-S535 WeakPolarHBondContact O-CB 3.45Å; L532-S535 PolarHBondContact O-N 2.93Å; L532-H536 PolarHBondContact O-CD2 3.49Å; L532-H536 PolarHBondContact O-N 3.04Å; L532-H536 VanDerWaalsContact O-N 3.11Å; L532-V594 HydrophobicContact CD2-CG1 3.98Å; L532-V594 HydrophobicContact CG-CG1 4.18Å; L532-A600 HydrophobicContact CD2-CB 3.45Å; L532-A600 VanDerWaalsContact CD2-CB 3.45Å
533L88.3Confident86.8Confident0 Ų050.9 Ų50.90%031%0.309CS..Hα-helixtrans-58.6-44.9176-179.558.8000111.5F526 P529 I530 S535 H536 L537 L563 V570 V590 V591 V594F526-L533 HydrophobicContact CD1-CD2 4.23Å; F526-L533 HydrophobicContact CD2-CD2 4.47Å; F526-L533 HydrophobicContact CE1-CB 4.22Å; F526-L533 HydrophobicContact CE1-CD2 3.84Å; F526-L533 HydrophobicContact CE2-CB 4.44Å; F526-L533 HydrophobicContact CE2-CD1 4.48Å; F526-L533 HydrophobicContact CE2-CD2 4.13Å; F526-L533 HydrophobicContact CZ-CB 3.74Å; F526-L533 HydrophobicContact CZ-CD2 3.82Å; F526-L533 HydrophobicContact CZ-CG 4.25Å; P529-L533 PolarHBondContact O-N 2.85Å; I530-L533 HydrophobicContact CD1-CB 4.4Å; I530-L533 HydrophobicContact CD1-CD2 4.02Å; I530-L533 PolarHBondContact O-N 3.17Å; L533-S535 VanDerWaalsContact C-N 3.31Å; L533-S535 PolarHBondContact O-N 2.85Å; L533-H536 PolarHBondContact O-N 2.62Å; L533-L537 HydrophobicContact CD1-CD1 4.03Å; L533-L537 HydrophobicContact CD1-CG 4.12Å; L533-L537 HydrophobicContact CG-CD1 3.81Å; L533-L537 HydrophobicContact CG-CG 4.34Å; L533-L537 WeakPolarHBondContact O-CB 3.26Å; L533-L537 VanDerWaalsContact O-CG 3.26Å; L533-L537 WeakPolarHBondContact O-CG 3.28Å; L533-L537 PolarHBondContact O-N 2.83Å; L533-L563 HydrophobicContact CD2-CD1 4.09Å; L533-V570 HydrophobicContact CD2-CG1 3.96Å; L533-V590 HydrophobicContact CD1-CG1 4.32Å; L533-V591 HydrophobicContact CD1-CB 4.48Å; L533-V591 HydrophobicContact CD1-CG2 3.94Å; L533-V591 HydrophobicContact CD2-CG2 4.24Å; L533-V594 HydrophobicContact CD1-CB 4.37Å; L533-V594 HydrophobicContact CD1-CG2 4.19Å
534A87.3Confident86.5Confident4 Ų448.7 Ų48.73%0.03329%0.289CS..Hα-helixtrans-59.6-39.1176.700000112.5I530 L532 L537 R538 L555I530-A534 WeakPolarHBondContact O-CB 3.45Å; I530-A534 PolarHBondContact O-N 3.34Å; L532-A534 VanDerWaalsContact C-N 3.32Å; L532-A534 PolarHBondContact O-N 2.87Å; A534-L537 PolarHBondContact O-N 3.19Å; A534-R538 WeakPolarHBondContact O-CG 3.48Å; A534-R538 PolarHBondContact O-N 2.7Å; A534-L555 HydrophobicContact CB-CD1 3.99Å
535S85.9Confident86.2Confident55 Ų5551.8 Ų51.839%0.38530%0.303SS..Hα-helixtrans-62.7-47.2175.4-175.60000112.3S531 L532 L533 L537 R538 N539S531-S535 PolarHBondContact O-N 3.45Å; S531-S535 VanDerWaalsContact O-N 3.13Å; L532-S535 WeakPolarHBondContact O-CB 3.45Å; L532-S535 PolarHBondContact O-N 2.93Å; L533-S535 VanDerWaalsContact C-N 3.31Å; L533-S535 PolarHBondContact O-N 2.85Å; S535-L537 VanDerWaalsContact C-N 3.35Å; S535-L537 PolarHBondContact O-N 3.4Å; S535-R538 PolarHBondContact O-N 3.4Å; S535-N539 PolarHBondContact O-N 3.25Å; S535-N539 VanDerWaalsContact O-N 3.11Å
536H88.5Confident85.9Confident62 Ų6253.4 Ų53.429%0.28730%0.302SS..Hα-helixtrans-65-37.8176.9-81.2-93000112.5L532 L533 N539 L540 V590 V594L532-H536 PolarHBondContact O-CD2 3.49Å; L532-H536 PolarHBondContact O-N 3.04Å; L532-H536 VanDerWaalsContact O-N 3.11Å; L533-H536 PolarHBondContact O-N 2.62Å; H536-N539 WeakPolarHBondContact O-CB 3.32Å; H536-N539 PolarHBondContact O-N 3.13Å; H536-L540 PolarHBondContact O-N 3.18Å; H536-L540 VanDerWaalsContact O-N 3.12Å; H536-V590 HydrophobicContact CB-CG1 3.71Å; H536-V594 HydrophobicContact CB-CG2 3.95Å
537L90.8Very high85.4Confident0 Ų056.1 Ų56.10%032%0.319CS..Hα-helixtrans-67.8-34.3175.8-68.6171.8000112.5L533 A534 S535 N539 L540 A541 V544 L555 I557 L563 V587 V590L533-L537 HydrophobicContact CD1-CD1 4.03Å; L533-L537 HydrophobicContact CD1-CG 4.12Å; L533-L537 HydrophobicContact CG-CD1 3.81Å; L533-L537 HydrophobicContact CG-CG 4.34Å; L533-L537 WeakPolarHBondContact O-CB 3.26Å; L533-L537 VanDerWaalsContact O-CG 3.26Å; L533-L537 WeakPolarHBondContact O-CG 3.28Å; L533-L537 PolarHBondContact O-N 2.83Å; A534-L537 PolarHBondContact O-N 3.19Å; S535-L537 VanDerWaalsContact C-N 3.35Å; S535-L537 PolarHBondContact O-N 3.4Å; L537-N539 VanDerWaalsContact C-N 3.33Å; L537-L540 PolarHBondContact O-N 2.98Å; L537-A541 PolarHBondContact O-N 3.06Å; L537-V544 HydrophobicContact CB-CG2 4.04Å; L537-L555 HydrophobicContact CD1-CD1 4.16Å; L537-I557 HydrophobicContact CD1-CD1 4.37Å; L537-I557 HydrophobicContact CD1-CG1 4.3Å; L537-L563 HydrophobicContact CD1-CD1 3.86Å; L537-V587 HydrophobicContact CD2-CB 4.4Å; L537-V587 HydrophobicContact CD2-CG1 3.84Å; L537-V587 HydrophobicContact CD2-CG2 4.29Å; L537-V590 HydrophobicContact CD2-CB 4.07Å; L537-V590 HydrophobicContact CD2-CG1 3.82Å; L537-V590 HydrophobicContact CG-CG1 4.24Å
538R90.2Very high84.4Confident102 Ų10262.4 Ų62.439%0.38534%0.344SS..Hα-helixtrans-64.6-37.2171.4-74.5175.9-161.8129.92.8111.9A534 S535 L540 G542 V544 E546A534-R538 WeakPolarHBondContact O-CG 3.48Å; A534-R538 PolarHBondContact O-N 2.7Å; S535-R538 PolarHBondContact O-N 3.4Å; R538-L540 VanDerWaalsContact C-N 3.28Å; R538-L540 PolarHBondContact O-N 3.46Å; R538-G542 WeakPolarHBondContact O-CA 3.2Å; R538-G542 PolarHBondContact O-N 2.82Å; R538-V544 HydrophobicContact CB-CG2 4.42Å; R538-V544 HydrophobicContact CG-CB 3.77Å; R538-V544 HydrophobicContact CG-CG2 3.79Å; R538-E546 IonicContact NH2-OE1 3.83Å; R538-E546 PolarHBondContact NH2-OE1 3.3Å
539N87.7Confident83.4Confident133 Ų13365.3 Ų65.371%0.71136%0.362SS*.Hα-helixtrans-65-32.9173.2-68.8-25.8000112.5S535 H536 L537S535-N539 PolarHBondContact O-N 3.25Å; S535-N539 VanDerWaalsContact O-N 3.11Å; H536-N539 WeakPolarHBondContact O-CB 3.32Å; H536-N539 PolarHBondContact O-N 3.13Å; L537-N539 VanDerWaalsContact C-N 3.33Å
540L89.3Confident81.9Confident67 Ų6768.8 Ų68.835%0.35139%0.394SS..Hα-helixtrans-75.1-50177.8176.468000112.5H536 L537 R538 F558 A586 V587 V590H536-L540 PolarHBondContact O-N 3.18Å; H536-L540 VanDerWaalsContact O-N 3.12Å; L537-L540 PolarHBondContact O-N 2.98Å; R538-L540 VanDerWaalsContact C-N 3.28Å; R538-L540 PolarHBondContact O-N 3.46Å; L540-F558 HydrophobicContact CD2-CE2 4.03Å; L540-F558 HydrophobicContact CD2-CZ 4.25Å; L540-F558 HydrophobicContact CG-CE2 4.2Å; L540-F558 HydrophobicContact CG-CZ 3.9Å; L540-A586 HydrophobicContact CD1-CB 4.42Å; L540-A586 HydrophobicContact CD2-CB 4.03Å; L540-V587 HydrophobicContact CD2-CG2 4.22Å; L540-V590 HydrophobicContact CB-CG2 4.36Å; L540-V590 HydrophobicContact CD2-CG2 3.83Å; L540-V590 HydrophobicContact CG-CG2 4.49Å
541A85.7Confident81.1Confident24 Ų2476 Ų7620%0.19843%0.427CS..Hα-helixtrans-104.4-9.6-167.800000114.6L537 D543 V544 I557 F558L537-A541 PolarHBondContact O-N 3.06Å; A541-D543 PolarHBondContact O-N 3.14Å; A541-V544 HydrophobicContact CB-CG2 4.39Å; A541-I557 HydrophobicContact CB-CG2 3.48Å; A541-I557 VanDerWaalsContact CB-CG2 3.48Å; A541-F558 HydrophobicContact CB-CD1 3.84Å; A541-F558 HydrophobicContact CB-CD2 4.28Å; A541-F558 HydrophobicContact CB-CE1 3.62Å; A541-F558 HydrophobicContact CB-CE2 4.08Å; A541-F558 HydrophobicContact CB-CG 4.17Å; A541-F558 HydrophobicContact CB-CZ 3.75Å
542G82.4Confident81Confident52 Ų5276.4 Ų76.454%0.53642%0.418SS..SBendtrans72.2-75.6-169.100000111R538R538-G542 WeakPolarHBondContact O-CA 3.2Å; R538-G542 PolarHBondContact O-N 2.82Å
543D80.3Confident81Confident118 Ų11877.8 Ų77.863%0.63143%0.425SS*.  trans-90.3112.6179.7-72.8-24.5000110.7A541A541-D543 PolarHBondContact O-N 3.14Å
544V87.4Confident81.1Confident18 Ų1878.4 Ų78.411%0.10943%0.429CS..EExtended strand (participates in β ladder)trans-117.5114.6167.2178.10000107.8L537 R538 A541 L555 I557L537-V544 HydrophobicContact CB-CG2 4.04Å; R538-V544 HydrophobicContact CB-CG2 4.42Å; R538-V544 HydrophobicContact CG-CB 3.77Å; R538-V544 HydrophobicContact CG-CG2 3.79Å; A541-V544 HydrophobicContact CB-CG2 4.39Å; V544-L555 HydrophobicContact CG1-CB 3.98Å; V544-L555 HydrophobicContact CG1-CD1 4.38Å; V544-L555 HydrophobicContact CG1-CD2 4.13Å; V544-L555 HydrophobicContact CG1-CG 4.39Å; V544-I557 HydrophobicContact CG1-CG1 4.29Å; V544-I557 HydrophobicContact CG2-CG1 4.35Å
545E87.4Confident81.3Confident73 Ų7378.3 Ų78.334%0.34143%0.428SS..EExtended strand (participates in β ladder)trans-90.9126.5-179.6-64.7171.3-174.300109.4L555 R556E545-L555 CarbonylContact O-C 3.5Å; E545-L555 WeakPolarHBondContact O-CA 3.34Å; E545-R556 HydrophobicContact CB-CB 4.34Å; E545-R556 PolarHBondContact N-O 3.45Å; E545-R556 VanDerWaalsContact N-O 3.07Å; E545-R556 PolarHBondContact O-N 3.08Å; E545-R556 IonicContact OE2-CZ 3.85Å; E545-R556 VanDerWaalsContact OE2-CZ 3.31Å; E545-R556 IonicContact OE2-NE 2.69Å; E545-R556 PolarHBondContact OE2-NE 3.4Å; E545-R556 IonicContact OE2-NH2 2.71Å; E545-R556 PolarHBondContact OE2-NH2 3.25Å
546E83.1Confident81.6Confident132 Ų13280.6 Ų80.662%0.61743%0.428SS*.EExtended strand (participates in β ladder)trans-77.5119.9165.6-82.6171.5-150.500108.4R538 L555R538-E546 IonicContact NH2-OE1 3.83Å; R538-E546 PolarHBondContact NH2-OE1 3.3Å; E546-L555 HydrophobicContact CG-CD2 3.43Å; E546-L555 VanDerWaalsContact CG-CD2 3.43Å
547V81.1Confident81.8Confident58 Ų5877.6 Ų77.635%0.35241%0.414SS..EExtended strand (participates in β ladder)trans-92116.3178.1-175.30000107.4S549 T554 R556V547-S549 PolarHBondContact O-N 3.13Å; V547-T554 HydrophobicContact CB-CG2 4.12Å; V547-T554 HydrophobicContact CG2-CG2 4.46Å; V547-T554 PolarHBondContact N-O 3.28Å; V547-R556 HydrophobicContact CG2-CB 3.85Å
548E63.7Low81.8Confident200 Ų20080 Ų8094%0.93543%0.425SS*.  trans-61105.2174-74.6-175.3167.200109.6
549S57.4Low81.8Confident67 Ų6781.6 Ų81.647%0.46943%0.434SS..  trans-123.1133.5172.3179.40000108V547 E551V547-S549 PolarHBondContact O-N 3.13Å; S549-E551 PolarHBondContact O-N 3.48Å
550A50.9Low81.9Confident108 Ų10878.6 Ų78.689%0.89342%0.418SS*.SBendtrans-64.7-9.1-165.200000115.4
551E68.1Low82.1Confident181 Ų18175.4 Ų75.485%0.84640%0.402SS*.SBendtrans-138.8-16.6-173.5-65.4-175.4168.700115.8S549S549-E551 PolarHBondContact O-N 3.48Å
552K81.1Confident82.5Confident96 Ų9676.3 Ų76.342%0.41741%0.405SS..SBendtrans-142.9140.3-173.4-65.5-179.6-179.6176.20112.6T554 V564 E566K552-T554 PolarHBondContact O-N 3.15Å; K552-T554 PolarHBondContact O-OG1 3.48Å; K552-V564 HydrophobicContact CB-CG1 4.07Å; K552-V564 HydrophobicContact CD-CG1 3.84Å; K552-E566 HydrophobicContact CD-CG 4.28Å; K552-E566 IonicContact NZ-OE1 3.31Å; K552-E566 PolarHBondContact NZ-OE1 2.95Å
553I84.4Confident83Confident83 Ų8373.9 Ų73.943%0.42638%0.379SS..  trans-67.8116.5175.4-58.7171.6000108.6I530 H565I530-I553 HydrophobicContact CG1-CG2 3.88Å; I530-I553 HydrophobicContact CG2-CD1 3.77Å; I553-H565 HydrophobicContact CB-CB 4.26Å; I553-H565 PolarHBondContact O-N 3.45Å
554T90.9Very high83.6Confident14 Ų1469.2 Ų69.29%0.08636%0.355CS..EExtended strand (participates in β ladder)trans-123.9126.4-175.7-54.90000109.8V547 K552 T562 L563 V564V547-T554 HydrophobicContact CB-CG2 4.12Å; V547-T554 HydrophobicContact CG2-CG2 4.46Å; V547-T554 PolarHBondContact N-O 3.28Å; K552-T554 PolarHBondContact O-N 3.15Å; K552-T554 PolarHBondContact O-OG1 3.48Å; T554-T562 HydrophobicContact CG2-CG2 3.59Å; T554-L563 CarbonylContact C-O 3.58Å; T554-L563 WeakPolarHBondContact CA-O 3.38Å; T554-V564 HydrophobicContact CG2-CG2 4.14Å
555L90.9Very high83.7Confident1 Ų170.6 Ų70.61%0.00536%0.36CS..EExtended strand (participates in β ladder)trans-112.6136.8178.2-57.7178.6000109.5I530 A534 L537 V544 E545 E546 I557 T562 L563I530-L555 HydrophobicContact CD1-CD1 4.23Å; A534-L555 HydrophobicContact CB-CD1 3.99Å; L537-L555 HydrophobicContact CD1-CD1 4.16Å; V544-L555 HydrophobicContact CG1-CB 3.98Å; V544-L555 HydrophobicContact CG1-CD1 4.38Å; V544-L555 HydrophobicContact CG1-CD2 4.13Å; V544-L555 HydrophobicContact CG1-CG 4.39Å; E545-L555 CarbonylContact O-C 3.5Å; E545-L555 WeakPolarHBondContact O-CA 3.34Å; E546-L555 HydrophobicContact CG-CD2 3.43Å; E546-L555 VanDerWaalsContact CG-CD2 3.43Å; L555-I557 HydrophobicContact CB-CD1 4.03Å; L555-T562 CarbonylContact O-C 3.58Å; L555-L563 HydrophobicContact CB-CB 4.38Å; L555-L563 HydrophobicContact CD1-CD2 4.5Å; L555-L563 PolarHBondContact N-O 3.05Å; L555-L563 PolarHBondContact O-N 3.14Å
556R92Very high83.7Confident103 Ų10370 Ų7039%0.38936%0.357SS..EExtended strand (participates in β ladder)trans-108.6117.2170.7-175.2160.166176.3-1109.7E545 V547E545-R556 HydrophobicContact CB-CB 4.34Å; E545-R556 PolarHBondContact N-O 3.45Å; E545-R556 VanDerWaalsContact N-O 3.07Å; E545-R556 PolarHBondContact O-N 3.08Å; E545-R556 IonicContact OE2-CZ 3.85Å; E545-R556 VanDerWaalsContact OE2-CZ 3.31Å; E545-R556 IonicContact OE2-NE 2.69Å; E545-R556 PolarHBondContact OE2-NE 3.4Å; E545-R556 IonicContact OE2-NH2 2.71Å; E545-R556 PolarHBondContact OE2-NH2 3.25Å; V547-R556 HydrophobicContact CG2-CB 3.85Å
557I92.9Very high83.7Confident0 Ų068.8 Ų68.80%037%0.37CS..EExtended strand (participates in β ladder)trans-111.1136.9-175.8-5194.5000109.1L537 A541 V544 L555 K559 N560 V561 L563 V587L537-I557 HydrophobicContact CD1-CD1 4.37Å; L537-I557 HydrophobicContact CD1-CG1 4.3Å; A541-I557 HydrophobicContact CB-CG2 3.48Å; A541-I557 VanDerWaalsContact CB-CG2 3.48Å; V544-I557 HydrophobicContact CG1-CG1 4.29Å; V544-I557 HydrophobicContact CG2-CG1 4.35Å; L555-I557 HydrophobicContact CB-CD1 4.03Å; I557-K559 PolarHBondContact O-N 3.12Å; I557-N560 PolarHBondContact O-N 2.87Å; I557-V561 PolarHBondContact N-O 3.31Å; I557-V561 PolarHBondContact O-N 3.38Å; I557-L563 HydrophobicContact CD1-CB 3.59Å; I557-L563 HydrophobicContact CD1-CD1 4.48Å; I557-V587 HydrophobicContact CB-CG2 4.15Å; I557-V587 HydrophobicContact CG2-CG2 3.76Å
558F91.4Very high83.9Confident51 Ų5168 Ų6822%0.22437%0.373CS..THydrogen-bonded Turntrans52.421.2-175.8-60.6-67.7000114.4L540 A541 N560 Y583 V587L540-F558 HydrophobicContact CD2-CE2 4.03Å; L540-F558 HydrophobicContact CD2-CZ 4.25Å; L540-F558 HydrophobicContact CG-CE2 4.2Å; L540-F558 HydrophobicContact CG-CZ 3.9Å; A541-F558 HydrophobicContact CB-CD1 3.84Å; A541-F558 HydrophobicContact CB-CD2 4.28Å; A541-F558 HydrophobicContact CB-CE1 3.62Å; A541-F558 HydrophobicContact CB-CE2 4.08Å; A541-F558 HydrophobicContact CB-CG 4.17Å; A541-F558 HydrophobicContact CB-CZ 3.75Å; F558-N560 PolarHBondContact O-N 2.99Å; F558-Y583 HydrophobicContact CB-CD2 3.64Å; F558-Y583 HydrophobicContact CB-CE2 3.9Å; F558-Y583 HydrophobicContact CB-CG 3.98Å; F558-Y583 HydrophobicContact CD1-CD1 4.31Å; F558-Y583 HydrophobicContact CD1-CE1 4.29Å; F558-Y583 AromaticContact CD2-CD1 3.92Å; F558-Y583 HydrophobicContact CD2-CD1 3.92Å; F558-Y583 HydrophobicContact CD2-CD2 4.28Å; F558-Y583 AromaticContact CD2-CG 3.72Å; F558-Y583 HydrophobicContact CD2-CG 3.72Å; F558-Y583 HydrophobicContact CE1-CD1 4.49Å; F558-Y583 HydrophobicContact CE2-CD1 4.12Å; F558-Y583 HydrophobicContact CE2-CG 4.32Å; F558-Y583 HydrophobicContact CG-CD1 4.02Å; F558-Y583 HydrophobicContact CG-CD2 4.02Å; F558-Y583 HydrophobicContact CG-CE1 4.36Å; F558-Y583 HydrophobicContact CG-CE2 4.32Å; F558-Y583 AromaticContact CG-CG 3.86Å; F558-Y583 HydrophobicContact CG-CG 3.86Å; F558-Y583 HydrophobicContact CZ-CD1 4.39Å; F558-V587 HydrophobicContact CD2-CG2 4.43Å; F558-V587 HydrophobicContact CE2-CG2 4.3Å
559K89.3Confident85.3Confident135 Ų13561 Ų6159%0.58734%0.341SS*.THydrogen-bonded Turntrans61.1-7.2-173.2-57.5179.7178.6177.60116I557I557-K559 PolarHBondContact O-N 3.12Å
560N90.4Very high87Confident70 Ų7057.8 Ų57.837%0.37432%0.319SS..THydrogen-bonded Turntrans-122.6-17.1-169.3-65.3-19.8000114I557 F558 N580I557-N560 PolarHBondContact O-N 2.87Å; F558-N560 PolarHBondContact O-N 2.99Å; N560-N580 VanDerWaalsContact CB-OD1 3.23Å; N560-N580 WeakPolarHBondContact CB-OD1 3.42Å; N560-N580 PolarHBondContact ND2-OD1 3.41Å
561V93.1Very high89.1Confident0 Ų053.5 Ų53.50%028%0.281CS..EExtended strand (participates in β ladder)trans-111.8125.2177.9-176.70000108.8I557 L572 W574 A584I557-V561 PolarHBondContact N-O 3.31Å; I557-V561 PolarHBondContact O-N 3.38Å; V561-L572 HydrophobicContact CG1-CD2 3.72Å; V561-W574 HydrophobicContact CG2-CB 4.2Å; V561-A584 HydrophobicContact CG2-CB 4.4Å
562T94.3Very high90.4Very high43 Ų4344.9 Ų44.926%0.26424%0.241SC..EExtended strand (participates in β ladder)trans-103.8127.2177.1-53.20000108.7T554 L555 V564 L572 E573T554-T562 HydrophobicContact CG2-CG2 3.59Å; L555-T562 CarbonylContact O-C 3.58Å; T562-V564 HydrophobicContact CG2-CG2 4.3Å; T562-L572 CarbonylContact O-C 3.58Å; T562-L572 VanDerWaalsContact O-CA 3.32Å; T562-L572 WeakPolarHBondContact O-CA 3.34Å; T562-E573 PolarHBondContact N-O 3.44Å; T562-E573 PolarHBondContact O-N 2.88Å
563L93.6Very high91.1Very high0 Ų042.8 Ų42.80%023%0.233CC..EExtended strand (participates in β ladder)trans-112.1120.1174.3-176.2160.3000108.5I530 L533 L537 T554 L555 I557 V570 V571 L572 V587 V591I530-L563 HydrophobicContact CD1-CD2 4.35Å; L533-L563 HydrophobicContact CD2-CD1 4.09Å; L537-L563 HydrophobicContact CD1-CD1 3.86Å; T554-L563 CarbonylContact C-O 3.58Å; T554-L563 WeakPolarHBondContact CA-O 3.38Å; L555-L563 HydrophobicContact CB-CB 4.38Å; L555-L563 HydrophobicContact CD1-CD2 4.5Å; L555-L563 PolarHBondContact N-O 3.05Å; L555-L563 PolarHBondContact O-N 3.14Å; I557-L563 HydrophobicContact CD1-CB 3.59Å; I557-L563 HydrophobicContact CD1-CD1 4.48Å; L563-V570 HydrophobicContact CD1-CB 4.37Å; L563-V570 HydrophobicContact CD2-CB 3.99Å; L563-V570 HydrophobicContact CD2-CG1 3.84Å; L563-V570 HydrophobicContact CG-CB 4.09Å; L563-V570 HydrophobicContact CG-CG1 4.43Å; L563-V571 CarbonylContact C-O 3.36Å; L563-V571 WeakPolarHBondContact CA-O 3.4Å; L563-L572 HydrophobicContact CB-CD2 3.91Å; L563-L572 HydrophobicContact CD1-CD2 4.04Å; L563-L572 HydrophobicContact CG-CD2 4.11Å; L563-V587 HydrophobicContact CD1-CG1 4.26Å; L563-V591 HydrophobicContact CD1-CG2 4.06Å
564V92.8Very high91.6Very high21 Ų2139.7 Ų39.713%0.12722%0.216CC..EExtended strand (participates in β ladder)trans-106.1123.8175.1-175.40000108.5K552 T554 T562 E566 V570 V571K552-V564 HydrophobicContact CB-CG1 4.07Å; K552-V564 HydrophobicContact CD-CG1 3.84Å; T554-V564 HydrophobicContact CG2-CG2 4.14Å; T562-V564 HydrophobicContact CG2-CG2 4.3Å; V564-E566 HydrophobicContact CG1-CG 4.24Å; V564-V570 CarbonylContact O-C 3.56Å; V564-V570 WeakPolarHBondContact O-CA 3.5Å; V564-V571 HydrophobicContact CB-CB 4.41Å; V564-V571 PolarHBondContact N-O 2.86Å; V564-V571 PolarHBondContact O-N 3.05Å
565H89.5Confident91.8Very high47 Ų4743.2 Ų43.222%0.21823%0.234CC..EExtended strand (participates in β ladder)trans-87.4124.6176.1-179.7-99000110.6I530 I553I530-H565 HydrophobicContact CD1-CB 3.82Å; I530-H565 HydrophobicContact CG1-CB 4.09Å; I553-H565 HydrophobicContact CB-CB 4.26Å; I553-H565 PolarHBondContact O-N 3.45Å
566E87.6Confident91.8Very high60 Ų6044.5 Ų44.528%0.2824%0.244SC..EExtended strand (participates in β ladder)trans-124.9170.5178.6-57.4-164.3157.900110.6K552 V564 G568 M569 V571K552-E566 HydrophobicContact CD-CG 4.28Å; K552-E566 IonicContact NZ-OE1 3.31Å; K552-E566 PolarHBondContact NZ-OE1 2.95Å; V564-E566 HydrophobicContact CG1-CG 4.24Å; E566-G568 PolarHBondContact O-N 3.22Å; E566-M569 CarbonylContact C-O 3.57Å; E566-M569 HydrophobicContact CB-CG 4.09Å; E566-M569 PolarHBondContact N-O 2.66Å; E566-M569 PolarHBondContact O-N 3.14Å; E566-V571 HydrophobicContact CG-CG2 4.44Å
567A82.9Confident91.7Very high106 Ų10642.1 Ų42.188%0.87624%0.239SC*.THydrogen-bonded Turntrans-63.7106.918000000110.9
568G85Confident91.5Very high41 Ų4147.8 Ų47.842%0.42328%0.276SS..THydrogen-bonded Turntrans83.36.5176.800000115.5F526 E566F526-G568 PolarHBondContact N-O 2.68Å; F526-G568 CarbonylContact O-C 3.55Å; F526-G568 WeakPolarHBondContact O-CA 3.45Å; E566-G568 PolarHBondContact O-N 3.22Å
569M92.8Very high91.6Very high54 Ų5449.4 Ų49.427%0.26629%0.286SS..EExtended strand (participates in β ladder)trans-157.8162178.555.9-173-8700113.2A523 I524 F526 E566 V571A523-M569 HydrophobicContact CB-CE 3.35Å; I524-M569 CarbonylContact O-C 3.56Å; I524-M569 VanDerWaalsContact O-CA 3.3Å; I524-M569 WeakPolarHBondContact O-CA 3.4Å; I524-M569 WeakPolarHBondContact O-CB 3.41Å; F526-M569 PolarHBondContact O-N 2.96Å; F526-M569 VanDerWaalsContact O-N 3.16Å; E566-M569 CarbonylContact C-O 3.57Å; E566-M569 HydrophobicContact CB-CG 4.09Å; E566-M569 PolarHBondContact N-O 2.66Å; E566-M569 PolarHBondContact O-N 3.14Å; M569-V571 HydrophobicContact CE-CG2 3.43Å; M569-V571 VanDerWaalsContact CE-CG2 3.43Å
570V93.8Very high91.8Very high0 Ų043.5 Ų43.50%026%0.261CS..EExtended strand (participates in β ladder)trans-115.4139.7164.6-65.70000109.6I524 F526 L533 L563 V564 V591I524-V570 HydrophobicContact CB-CG2 4.05Å; I524-V570 PolarHBondContact N-O 3.14Å; I524-V570 PolarHBondContact O-N 3.32Å; F526-V570 HydrophobicContact CB-CB 4.45Å; F526-V570 HydrophobicContact CB-CG1 3.95Å; F526-V570 HydrophobicContact CB-CG2 4.03Å; F526-V570 HydrophobicContact CD1-CG1 3.77Å; F526-V570 HydrophobicContact CG-CG1 3.99Å; L533-V570 HydrophobicContact CD2-CG1 3.96Å; L563-V570 HydrophobicContact CD1-CB 4.37Å; L563-V570 HydrophobicContact CD2-CB 3.99Å; L563-V570 HydrophobicContact CD2-CG1 3.84Å; L563-V570 HydrophobicContact CG-CB 4.09Å; L563-V570 HydrophobicContact CG-CG1 4.43Å; V564-V570 CarbonylContact O-C 3.56Å; V564-V570 WeakPolarHBondContact O-CA 3.5Å; V570-V591 HydrophobicContact CG2-CB 4.43Å; V570-V591 HydrophobicContact CG2-CG1 3.47Å; V570-V591 VanDerWaalsContact CG2-CG1 3.47Å; V570-V591 HydrophobicContact CG2-CG2 4.03Å
571V94.4Very high92Very high17 Ų1742.4 Ų42.410%0.10326%0.255CS..EExtended strand (participates in β ladder)trans-109.5116.3177.4-178.30000108.3T521 Q522 L563 V564 E566 M569 E573T521-V571 HydrophobicContact CG2-CG1 3.46Å; T521-V571 VanDerWaalsContact CG2-CG1 3.46Å; Q522-V571 WeakPolarHBondContact O-CA 3.26Å; L563-V571 CarbonylContact C-O 3.36Å; L563-V571 WeakPolarHBondContact CA-O 3.4Å; V564-V571 HydrophobicContact CB-CB 4.41Å; V564-V571 PolarHBondContact N-O 2.86Å; V564-V571 PolarHBondContact O-N 3.05Å; E566-V571 HydrophobicContact CG-CG2 4.44Å; M569-V571 HydrophobicContact CE-CG2 3.43Å; M569-V571 VanDerWaalsContact CE-CG2 3.43Å; V571-E573 HydrophobicContact CG1-CG 4.09Å
572L95.1Very high92.1Very high0 Ų047.8 Ų47.80%028%0.282CS..EExtended strand (participates in β ladder)trans-89.8133.9171.2-69.3162.6000109.3T521 Q522 I524 V561 T562 L563 W574 V587 T588T521-L572 CarbonylContact C-O 3.59Å; T521-L572 VanDerWaalsContact CA-O 3.22Å; T521-L572 WeakPolarHBondContact CA-O 3.35Å; Q522-L572 HydrophobicContact CB-CB 4.39Å; Q522-L572 PolarHBondContact N-O 3.17Å; Q522-L572 PolarHBondContact O-N 2.99Å; I524-L572 HydrophobicContact CD1-CD1 3.49Å; I524-L572 VanDerWaalsContact CD1-CD1 3.49Å; V561-L572 HydrophobicContact CG1-CD2 3.72Å; T562-L572 CarbonylContact O-C 3.58Å; T562-L572 VanDerWaalsContact O-CA 3.32Å; T562-L572 WeakPolarHBondContact O-CA 3.34Å; L563-L572 HydrophobicContact CB-CD2 3.91Å; L563-L572 HydrophobicContact CD1-CD2 4.04Å; L563-L572 HydrophobicContact CG-CD2 4.11Å; L572-W574 HydrophobicContact CB-CE3 4.13Å; L572-W574 HydrophobicContact CB-CZ3 3.79Å; L572-V587 HydrophobicContact CD1-CG1 4.26Å; L572-V587 HydrophobicContact CD2-CB 4.29Å; L572-V587 HydrophobicContact CD2-CG1 3.39Å; L572-V587 HydrophobicContact CG-CG1 4.45Å; L572-T588 WeakPolarHBondContact CD1-OG1 3.46Å
573E95.2Very high92.1Very high53 Ų5348.4 Ų48.425%0.24828%0.28CS..EExtended strand (participates in β ladder)trans-132.5128.2175.2-62.1-159.5122.500110.3K519 Q520 T521 T562 V571K519-E573 WeakPolarHBondContact CE-OE1 3.35Å; K519-E573 WeakPolarHBondContact CE-OE2 3.47Å; K519-E573 IonicContact NZ-OE1 3.24Å; K519-E573 PolarHBondContact NZ-OE1 3Å; K519-E573 IonicContact NZ-OE2 3.06Å; K519-E573 PolarHBondContact NZ-OE2 2.66Å; Q520-E573 WeakPolarHBondContact O-CA 3.47Å; T521-E573 HydrophobicContact CG2-CG 4.04Å; T521-E573 PolarHBondContact OG1-OE1 2.97Å; T562-E573 PolarHBondContact N-O 3.44Å; T562-E573 PolarHBondContact O-N 2.88Å; V571-E573 HydrophobicContact CG1-CG 4.09Å
574W95.3Very high92.2Very high17 Ų1748.4 Ų48.46%0.06428%0.28CS..EExtended strand (participates in β ladder)trans-150.4162.817668.9102.3000111.5K519 Q520 Q522 V561 L572 D581 A584K519-W574 WeakPolarHBondContact CA-O 3.4Å; Q520-W574 HydrophobicContact CB-CD2 4.08Å; Q520-W574 HydrophobicContact CB-CE3 4.42Å; Q520-W574 HydrophobicContact CB-CH2 4.09Å; Q520-W574 HydrophobicContact CB-CZ2 3.71Å; Q520-W574 HydrophobicContact CB-CZ3 4.41Å; Q520-W574 PolarHBondContact N-O 2.88Å; Q520-W574 PolarHBondContact O-N 3.48Å; Q522-W574 HydrophobicContact CB-CH2 3.95Å; Q522-W574 HydrophobicContact CB-CZ3 3.88Å; V561-W574 HydrophobicContact CG2-CB 4.2Å; L572-W574 HydrophobicContact CB-CE3 4.13Å; L572-W574 HydrophobicContact CB-CZ3 3.79Å; W574-D581 PolarHBondContact NE1-OD1 3.04Å; W574-A584 HydrophobicContact CD2-CB 3.53Å; W574-A584 VanDerWaalsContact CE2-CB 3.41Å; W574-A584 HydrophobicContact CE3-CB 3.77Å; W574-A584 HydrophobicContact CG-CB 4.12Å; W574-A584 HydrophobicContact CH2-CB 3.81Å; W574-A584 HydrophobicContact CZ2-CB 3.55Å; W574-A584 HydrophobicContact CZ3-CB 3.92Å
575I94.9Very high92.3Very high89 Ų8952.2 Ų52.246%0.45630%0.299SS..EExtended strand (participates in β ladder)trans-83.4120.9168.1-67.4171.6000107.9T517 N577 N580T517-I575 HydrophobicContact CG2-CB 4.31Å; T517-I575 HydrophobicContact CG2-CD1 4.24Å; T517-I575 HydrophobicContact CG2-CG1 4.12Å; T517-I575 HydrophobicContact CG2-CG2 3.34Å; I575-N577 PolarHBondContact O-N 3.34Å; I575-N577 PolarHBondContact O-ND2 3.04Å; I575-N580 VanDerWaalsContact O-CB 3.26Å; I575-N580 WeakPolarHBondContact O-CB 3.46Å; I575-N580 PolarHBondContact O-ND2 3.24Å
576A91.1Very high92.5Very high27 Ų2751.4 Ų51.422%0.22330%0.301CS..  trans-66.3125-175.700000111.5V518 Q520 D581V518-A576 HydrophobicContact CB-CB 4.07Å; V518-A576 HydrophobicContact CG1-CB 4.13Å; V518-A576 WeakPolarHBondContact O-CB 3.49Å; V518-A576 PolarHBondContact O-N 3.25Å; Q520-A576 HydrophobicContact CG-CB 3.96Å; A576-D581 WeakPolarHBondContact CA-OD1 3.29Å
577N90.3Very high92.8Very high54 Ų5448.6 Ų48.629%0.28929%0.288SS..SBendtrans-169.1161169.661.569.4000108.6I575 L579 N580 D581I575-N577 PolarHBondContact O-N 3.34Å; I575-N577 PolarHBondContact O-ND2 3.04Å; N577-L579 PolarHBondContact O-N 3.42Å; N577-L579 PolarHBondContact OD1-N 3.2Å; N577-N580 VanDerWaalsContact ND2-CG 3.31Å; N577-N580 PolarHBondContact ND2-ND2 2.95Å; N577-N580 PolarHBondContact O-N 3.19Å; N577-N580 VanDerWaalsContact O-N 3.08Å; N577-N580 PolarHBondContact OD1-N 3.3Å; N577-D581 PolarHBondContact N-OD1 3.42Å; N577-D581 WeakPolarHBondContact O-CB 3.36Å; N577-D581 PolarHBondContact O-N 3.22Å
578P89.8Confident93.4Very high119 Ų11944.2 Ų44.277%0.77325%0.25SS*.Hα-helixtrans-53.6-30.1-172.3-29.535.9000115.5
579L92.6Very high93.8Very high84 Ų8446.3 Ų46.344%0.4426%0.255SS..Hα-helixtrans-82.2-46.6-179.8-176129.4000111.6N577 M582 Y583N577-L579 PolarHBondContact O-N 3.42Å; N577-L579 PolarHBondContact OD1-N 3.2Å; L579-M582 PolarHBondContact O-N 3.43Å; L579-Y583 HydrophobicContact CD2-CD2 3.95Å; L579-Y583 HydrophobicContact CD2-CE2 3.2Å; L579-Y583 HydrophobicContact CG-CD2 4.5Å; L579-Y583 HydrophobicContact CG-CE2 3.84Å; L579-Y583 PolarHBondContact O-N 2.97Å; L579-Y583 VanDerWaalsContact O-N 3.08Å
580N94.1Very high93.8Very high11 Ų1144.4 Ų44.46%0.05925%0.247CC..Hα-helixtrans-70.7-32.6178.5-70.2-6.1000112.6N560 I575 N577 M582 Y583 A584N560-N580 VanDerWaalsContact CB-OD1 3.23Å; N560-N580 WeakPolarHBondContact CB-OD1 3.42Å; N560-N580 PolarHBondContact ND2-OD1 3.41Å; I575-N580 VanDerWaalsContact O-CB 3.26Å; I575-N580 WeakPolarHBondContact O-CB 3.46Å; I575-N580 PolarHBondContact O-ND2 3.24Å; N577-N580 VanDerWaalsContact ND2-CG 3.31Å; N577-N580 PolarHBondContact ND2-ND2 2.95Å; N577-N580 PolarHBondContact O-N 3.19Å; N577-N580 VanDerWaalsContact O-N 3.08Å; N577-N580 PolarHBondContact OD1-N 3.3Å; N580-M582 VanDerWaalsContact C-N 3.34Å; N580-Y583 WeakPolarHBondContact O-CB 3.42Å; N580-Y583 PolarHBondContact O-N 3.01Å; N580-A584 WeakPolarHBondContact O-CB 3.39Å; N580-A584 PolarHBondContact O-N 3.37Å
581D93.9Very high93.7Very high47 Ų4744.4 Ų44.425%0.25125%0.247SC..Hα-helixtrans-65-42.7175.9-61.4-15.4000109.8W574 A576 N577 Y583 A584 D585W574-D581 PolarHBondContact NE1-OD1 3.04Å; A576-D581 WeakPolarHBondContact CA-OD1 3.29Å; N577-D581 PolarHBondContact N-OD1 3.42Å; N577-D581 WeakPolarHBondContact O-CB 3.36Å; N577-D581 PolarHBondContact O-N 3.22Å; D581-Y583 VanDerWaalsContact C-N 3.33Å; D581-Y583 PolarHBondContact O-N 3.31Å; D581-A584 PolarHBondContact O-N 3.32Å; D581-D585 PolarHBondContact O-N 3.1Å
582M95.2Very high93.6Very high113 Ų11347.9 Ų47.956%0.55726%0.264SS*.Hα-helixtrans-61.7-40.1172.8-176.2-170.568.800112L579 N580 A586L579-M582 PolarHBondContact O-N 3.43Å; N580-M582 VanDerWaalsContact C-N 3.34Å; M582-A586 WeakPolarHBondContact O-CB 3.33Å; M582-A586 PolarHBondContact O-N 3.23Å; M582-A586 VanDerWaalsContact O-N 3.1Å
583Y94.9Very high93.3Very high56 Ų5653.3 Ų53.322%0.2229%0.289CS..Hα-helixtrans-65.6-42.9174.3-66.7-23.1000112.2F558 L579 N580 D581 A586 V587F558-Y583 HydrophobicContact CB-CD2 3.64Å; F558-Y583 HydrophobicContact CB-CE2 3.9Å; F558-Y583 HydrophobicContact CB-CG 3.98Å; F558-Y583 HydrophobicContact CD1-CD1 4.31Å; F558-Y583 HydrophobicContact CD1-CE1 4.29Å; F558-Y583 AromaticContact CD2-CD1 3.92Å; F558-Y583 HydrophobicContact CD2-CD1 3.92Å; F558-Y583 HydrophobicContact CD2-CD2 4.28Å; F558-Y583 AromaticContact CD2-CG 3.72Å; F558-Y583 HydrophobicContact CD2-CG 3.72Å; F558-Y583 HydrophobicContact CE1-CD1 4.49Å; F558-Y583 HydrophobicContact CE2-CD1 4.12Å; F558-Y583 HydrophobicContact CE2-CG 4.32Å; F558-Y583 HydrophobicContact CG-CD1 4.02Å; F558-Y583 HydrophobicContact CG-CD2 4.02Å; F558-Y583 HydrophobicContact CG-CE1 4.36Å; F558-Y583 HydrophobicContact CG-CE2 4.32Å; F558-Y583 AromaticContact CG-CG 3.86Å; F558-Y583 HydrophobicContact CG-CG 3.86Å; F558-Y583 HydrophobicContact CZ-CD1 4.39Å; L579-Y583 HydrophobicContact CD2-CD2 3.95Å; L579-Y583 HydrophobicContact CD2-CE2 3.2Å; L579-Y583 HydrophobicContact CG-CD2 4.5Å; L579-Y583 HydrophobicContact CG-CE2 3.84Å; L579-Y583 PolarHBondContact O-N 2.97Å; L579-Y583 VanDerWaalsContact O-N 3.08Å; N580-Y583 WeakPolarHBondContact O-CB 3.42Å; N580-Y583 PolarHBondContact O-N 3.01Å; D581-Y583 VanDerWaalsContact C-N 3.33Å; D581-Y583 PolarHBondContact O-N 3.31Å; Y583-A586 PolarHBondContact O-N 2.91Å; Y583-V587 VanDerWaalsContact O-CG2 3.3Å; Y583-V587 WeakPolarHBondContact O-CG2 3.49Å; Y583-V587 PolarHBondContact O-N 3.37Å
584A94.4Very high93Very high0 Ų051 Ų510%028%0.278CS..Hα-helixtrans-62.5-44177.500000111V561 W574 N580 D581 A586 V587 T588V561-A584 HydrophobicContact CG2-CB 4.4Å; W574-A584 HydrophobicContact CD2-CB 3.53Å; W574-A584 VanDerWaalsContact CE2-CB 3.41Å; W574-A584 HydrophobicContact CE3-CB 3.77Å; W574-A584 HydrophobicContact CG-CB 4.12Å; W574-A584 HydrophobicContact CH2-CB 3.81Å; W574-A584 HydrophobicContact CZ2-CB 3.55Å; W574-A584 HydrophobicContact CZ3-CB 3.92Å; N580-A584 WeakPolarHBondContact O-CB 3.39Å; N580-A584 PolarHBondContact O-N 3.37Å; D581-A584 PolarHBondContact O-N 3.32Å; A584-A586 VanDerWaalsContact C-N 3.34Å; A584-A586 PolarHBondContact O-N 3.3Å; A584-V587 PolarHBondContact O-N 3.36Å; A584-T588 WeakPolarHBondContact O-CB 3.31Å; A584-T588 PolarHBondContact O-N 3.14Å; A584-T588 PolarHBondContact O-OG1 3.27Å
585D95.1Very high92.5Very high101 Ų10151.9 Ų51.954%0.5428%0.284SS..Hα-helixtrans-60.4-41.4175.4-80-17.8000112.4D581 T588 T589D581-D585 PolarHBondContact O-N 3.1Å; D585-T588 PolarHBondContact O-N 3.25Å; D585-T589 WeakPolarHBondContact O-CB 3.49Å; D585-T589 PolarHBondContact O-N 3.47Å; D585-T589 PolarHBondContact O-OG1 3.12Å
586A94.6Very high91.9Very high31 Ų3151.8 Ų51.826%0.25629%0.291SS..Hα-helixtrans-63.9-43.6176.300000111.4L540 M582 Y583 A584 T589 V590L540-A586 HydrophobicContact CD1-CB 4.42Å; L540-A586 HydrophobicContact CD2-CB 4.03Å; M582-A586 WeakPolarHBondContact O-CB 3.33Å; M582-A586 PolarHBondContact O-N 3.23Å; M582-A586 VanDerWaalsContact O-N 3.1Å; Y583-A586 PolarHBondContact O-N 2.91Å; A584-A586 VanDerWaalsContact C-N 3.34Å; A584-A586 PolarHBondContact O-N 3.3Å; A586-T589 PolarHBondContact O-N 2.93Å; A586-V590 PolarHBondContact O-N 2.96Å; A586-V590 VanDerWaalsContact O-N 3.14Å
587V94.2Very high91.4Very high0 Ų053.6 Ų53.60%030%0.297CS..Hα-helixtrans-64.9-45.5176.3173.90000111L537 L540 I557 F558 L563 L572 Y583 A584 T589 V590 V591L537-V587 HydrophobicContact CD2-CB 4.4Å; L537-V587 HydrophobicContact CD2-CG1 3.84Å; L537-V587 HydrophobicContact CD2-CG2 4.29Å; L540-V587 HydrophobicContact CD2-CG2 4.22Å; I557-V587 HydrophobicContact CB-CG2 4.15Å; I557-V587 HydrophobicContact CG2-CG2 3.76Å; F558-V587 HydrophobicContact CD2-CG2 4.43Å; F558-V587 HydrophobicContact CE2-CG2 4.3Å; L563-V587 HydrophobicContact CD1-CG1 4.26Å; L572-V587 HydrophobicContact CD1-CG1 4.26Å; L572-V587 HydrophobicContact CD2-CB 4.29Å; L572-V587 HydrophobicContact CD2-CG1 3.39Å; L572-V587 HydrophobicContact CG-CG1 4.45Å; Y583-V587 VanDerWaalsContact O-CG2 3.3Å; Y583-V587 WeakPolarHBondContact O-CG2 3.49Å; Y583-V587 PolarHBondContact O-N 3.37Å; A584-V587 PolarHBondContact O-N 3.36Å; V587-T589 VanDerWaalsContact C-N 3.28Å; V587-T589 PolarHBondContact O-N 2.66Å; V587-V590 PolarHBondContact O-N 3.22Å; V587-V590 VanDerWaalsContact O-N 3.14Å; V587-V591 HydrophobicContact CG1-CG2 4.37Å; V587-V591 WeakPolarHBondContact O-CG2 3.37Å; V587-V591 PolarHBondContact O-N 2.89Å
588T94.8Very high90Very high14 Ų1455.5 Ų55.59%0.08631%0.312CS..Hα-helixtrans-56-43.7174.8-69.70000111.3Q522 I524 L572 A584 D585 V590 V591 L592Q522-T588 PolarHBondContact OE1-OG1 2.83Å; Q522-T588 VanDerWaalsContact OE1-OG1 3.05Å; I524-T588 HydrophobicContact CD1-CG2 3.7Å; I524-T588 WeakPolarHBondContact CD1-OG1 3.32Å; L572-T588 WeakPolarHBondContact CD1-OG1 3.46Å; A584-T588 WeakPolarHBondContact O-CB 3.31Å; A584-T588 PolarHBondContact O-N 3.14Å; A584-T588 PolarHBondContact O-OG1 3.27Å; D585-T588 PolarHBondContact O-N 3.25Å; T588-V590 PolarHBondContact O-N 3.39Å; T588-V591 PolarHBondContact O-N 3.26Å; T588-L592 HydrophobicContact CG2-CD1 3.93Å; T588-L592 HydrophobicContact CG2-CG 4.43Å; T588-L592 WeakPolarHBondContact O-CB 3.49Å; T588-L592 VanDerWaalsContact O-CG 3.28Å; T588-L592 WeakPolarHBondContact O-CG 3.46Å; T588-L592 PolarHBondContact O-N 2.91Å
589T93.8Very high88.5Confident86 Ų8657.8 Ų57.853%0.52831%0.31SS..Hα-helixtrans-60.2-45.3177.2-57.70000111.3D585 A586 V587 L592 E593D585-T589 WeakPolarHBondContact O-CB 3.49Å; D585-T589 PolarHBondContact O-N 3.47Å; D585-T589 PolarHBondContact O-OG1 3.12Å; A586-T589 PolarHBondContact O-N 2.93Å; V587-T589 VanDerWaalsContact C-N 3.28Å; V587-T589 PolarHBondContact O-N 2.66Å; T589-L592 PolarHBondContact O-N 3.22Å; T589-E593 WeakPolarHBondContact O-CB 3.4Å; T589-E593 PolarHBondContact O-N 3.41Å
590V92.6Very high86.7Confident14 Ų1454.1 Ų54.19%0.08529%0.291CS..Hα-helixtrans-64.7-42.1177172.10000111.8L533 H536 L537 L540 A586 V587 T588 L592 E593 V594L533-V590 HydrophobicContact CD1-CG1 4.32Å; H536-V590 HydrophobicContact CB-CG1 3.71Å; L537-V590 HydrophobicContact CD2-CB 4.07Å; L537-V590 HydrophobicContact CD2-CG1 3.82Å; L537-V590 HydrophobicContact CG-CG1 4.24Å; L540-V590 HydrophobicContact CB-CG2 4.36Å; L540-V590 HydrophobicContact CD2-CG2 3.83Å; L540-V590 HydrophobicContact CG-CG2 4.49Å; A586-V590 PolarHBondContact O-N 2.96Å; A586-V590 VanDerWaalsContact O-N 3.14Å; V587-V590 PolarHBondContact O-N 3.22Å; V587-V590 VanDerWaalsContact O-N 3.14Å; T588-V590 PolarHBondContact O-N 3.39Å; V590-L592 VanDerWaalsContact C-N 3.33Å; V590-L592 PolarHBondContact O-N 3.33Å; V590-E593 PolarHBondContact O-N 3.08Å; V590-V594 HydrophobicContact CG1-CG2 4.31Å; V590-V594 VanDerWaalsContact O-CG2 3.32Å; V590-V594 WeakPolarHBondContact O-CG2 3.24Å; V590-V594 PolarHBondContact O-N 3.09Å
591V92.4Very high84.6Confident0 Ų058 Ų580%031%0.309CS..Hα-helixtrans-58-47.8175.8172.40000110.5I524 F526 L533 L563 V570 V587 T588 V594 Q595I524-V591 HydrophobicContact CB-CG1 4.12Å; I524-V591 HydrophobicContact CD1-CB 4.35Å; I524-V591 HydrophobicContact CD1-CG1 4.21Å; I524-V591 HydrophobicContact CG2-CG1 3.7Å; F526-V591 HydrophobicContact CB-CG1 4.48Å; F526-V591 HydrophobicContact CD2-CG1 4.01Å; L533-V591 HydrophobicContact CD1-CB 4.48Å; L533-V591 HydrophobicContact CD1-CG2 3.94Å; L533-V591 HydrophobicContact CD2-CG2 4.24Å; L563-V591 HydrophobicContact CD1-CG2 4.06Å; V570-V591 HydrophobicContact CG2-CB 4.43Å; V570-V591 HydrophobicContact CG2-CG1 3.47Å; V570-V591 VanDerWaalsContact CG2-CG1 3.47Å; V570-V591 HydrophobicContact CG2-CG2 4.03Å; V587-V591 HydrophobicContact CG1-CG2 4.37Å; V587-V591 WeakPolarHBondContact O-CG2 3.37Å; V587-V591 PolarHBondContact O-N 2.89Å; T588-V591 PolarHBondContact O-N 3.26Å; V591-V594 PolarHBondContact O-N 3.16Å; V591-Q595 VanDerWaalsContact O-CB 3.3Å; V591-Q595 WeakPolarHBondContact O-CB 3.48Å; V591-Q595 PolarHBondContact O-N 3.38Å
592L91.5Very high82.4Confident90 Ų9062.4 Ų62.447%0.47133%0.326SS..Hα-helixtrans-66.3-37.3179.1-68.2173.1000112.3I524 T588 T589 V590 Q595 S596I524-L592 HydrophobicContact CG2-CD2 3.8Å; I524-L592 HydrophobicContact CG2-CG 4.44Å; T588-L592 HydrophobicContact CG2-CD1 3.93Å; T588-L592 HydrophobicContact CG2-CG 4.43Å; T588-L592 WeakPolarHBondContact O-CB 3.49Å; T588-L592 VanDerWaalsContact O-CG 3.28Å; T588-L592 WeakPolarHBondContact O-CG 3.46Å; T588-L592 PolarHBondContact O-N 2.91Å; T589-L592 PolarHBondContact O-N 3.22Å; V590-L592 VanDerWaalsContact C-N 3.33Å; V590-L592 PolarHBondContact O-N 3.33Å; L592-Q595 PolarHBondContact O-N 3.41Å; L592-S596 VanDerWaalsContact O-CB 3.29Å; L592-S596 WeakPolarHBondContact O-CB 3.46Å; L592-S596 PolarHBondContact O-N 3.19Å; L592-S596 PolarHBondContact O-OG 3.31Å
593E89.7Confident80.1Confident114 Ų11461 Ų6153%0.53332%0.323SS..Hα-helixtrans-63.9-47.6175.6-172.5-177.4174.900111.4T589 V590 Q595 S596 N597T589-E593 WeakPolarHBondContact O-CB 3.4Å; T589-E593 PolarHBondContact O-N 3.41Å; V590-E593 PolarHBondContact O-N 3.08Å; E593-Q595 VanDerWaalsContact C-N 3.34Å; E593-Q595 PolarHBondContact O-N 2.9Å; E593-S596 PolarHBondContact O-N 2.98Å; E593-S596 PolarHBondContact O-OG 3Å; E593-S596 VanDerWaalsContact O-OG 3.1Å; E593-N597 PolarHBondContact O-N 2.85Å
594V88Confident77.5Confident3 Ų363.8 Ų63.82%0.01834%0.34CS..Hα-helixtrans-65.1-40.8178.3177.20000110.6F526 L532 L533 H536 V590 V591 S596 N597F526-V594 HydrophobicContact CE2-CB 4.17Å; F526-V594 HydrophobicContact CE2-CG1 3.82Å; F526-V594 HydrophobicContact CZ-CG1 4.04Å; L532-V594 HydrophobicContact CD2-CG1 3.98Å; L532-V594 HydrophobicContact CG-CG1 4.18Å; L533-V594 HydrophobicContact CD1-CB 4.37Å; L533-V594 HydrophobicContact CD1-CG2 4.19Å; H536-V594 HydrophobicContact CB-CG2 3.95Å; V590-V594 HydrophobicContact CG1-CG2 4.31Å; V590-V594 VanDerWaalsContact O-CG2 3.32Å; V590-V594 WeakPolarHBondContact O-CG2 3.24Å; V590-V594 PolarHBondContact O-N 3.09Å; V591-V594 PolarHBondContact O-N 3.16Å; V594-S596 PolarHBondContact O-N 3.26Å; V594-N597 PolarHBondContact O-N 2.9Å
595Q84.6Confident74.7Confident37 Ų3771.6 Ų71.617%0.17338%0.376CS..Hα-helixtrans-65-38.5178.5-177.860.114.200112.9F526 T527 V591 L592 E593 N597 Q601F526-Q595 HydrophobicContact CD2-CB 4.06Å; F526-Q595 HydrophobicContact CE2-CB 4.46Å; T527-Q595 PolarHBondContact OG1-NE2 2.94Å; T527-Q595 PolarHBondContact OG1-OE1 3Å; V591-Q595 VanDerWaalsContact O-CB 3.3Å; V591-Q595 WeakPolarHBondContact O-CB 3.48Å; V591-Q595 PolarHBondContact O-N 3.38Å; L592-Q595 PolarHBondContact O-N 3.41Å; E593-Q595 VanDerWaalsContact C-N 3.34Å; E593-Q595 PolarHBondContact O-N 2.9Å; Q595-N597 VanDerWaalsContact C-N 3.31Å; Q595-Q601 PolarHBondContact O-NE2 3.18Å
596S83.1Confident72Confident87 Ų8775.1 Ų75.161%0.60839%0.389SS*.Hα-helixtrans-80.9-8.6-178.258.40000113.7L592 E593 V594 P598L592-S596 VanDerWaalsContact O-CB 3.29Å; L592-S596 WeakPolarHBondContact O-CB 3.46Å; L592-S596 PolarHBondContact O-N 3.19Å; L592-S596 PolarHBondContact O-OG 3.31Å; E593-S596 PolarHBondContact O-N 2.98Å; E593-S596 PolarHBondContact O-OG 3Å; E593-S596 VanDerWaalsContact O-OG 3.1Å; V594-S596 PolarHBondContact O-N 3.26Å; S596-P598 VanDerWaalsContact O-CD 3.23Å; S596-P598 WeakPolarHBondContact O-CD 3.36Å
597N79.6Confident69.4Low65 Ų6581.3 Ų81.335%0.34841%0.411SS..  trans-76.4112.8-179.3-169.9-22.8000112E593 V594 Q595 K599 A600 Q601E593-N597 PolarHBondContact O-N 2.85Å; V594-N597 PolarHBondContact O-N 2.9Å; Q595-N597 VanDerWaalsContact C-N 3.31Å; N597-K599 PolarHBondContact O-N 3.07Å; N597-K599 VanDerWaalsContact O-N 3.14Å; N597-K599 PolarHBondContact OD1-N 3.04Å; N597-K599 VanDerWaalsContact OD1-N 3.09Å; N597-A600 HydrophobicContact CB-CB 4.02Å; N597-A600 WeakPolarHBondContact O-CB 3.18Å; N597-A600 PolarHBondContact O-N 2.87Å; N597-Q601 PolarHBondContact O-N 2.79Å
598P60.9Low66.6Low93 Ų9390.6 Ų90.660%0.60445%0.451SS*.Hα-helixtrans-64.3-22.6-176.8-19.332000114S596 K602S596-P598 VanDerWaalsContact O-CD 3.23Å; S596-P598 WeakPolarHBondContact O-CD 3.36Å; P598-K602 PolarHBondContact O-N 2.91Å
599K59Low64Low168 Ų16899 Ų9973%0.7349%0.489SS*.Hα-helixtrans-79.6-28177-66.7-177.9177.6179.90112.3N597N597-K599 PolarHBondContact O-N 3.07Å; N597-K599 VanDerWaalsContact O-N 3.14Å; N597-K599 PolarHBondContact OD1-N 3.04Å; N597-K599 VanDerWaalsContact OD1-N 3.09Å
600A53.6Low61.8Low6 Ų698.4 Ų98.45%0.0550%0.5CS..Hα-helixtrans-72-34.517600000111.9L532 N597L532-A600 HydrophobicContact CD2-CB 3.45Å; L532-A600 VanDerWaalsContact CD2-CB 3.45Å; N597-A600 HydrophobicContact CB-CB 4.02Å; N597-A600 WeakPolarHBondContact O-CB 3.18Å; N597-A600 PolarHBondContact O-N 2.87Å
601Q50.9Low60Low92 Ų92100.4 Ų100.443%0.4351%0.509SS..Hα-helixtrans-74.4-29176.5-67.7-175.2-5.700113.3Q595 N597 V603 M604Q595-Q601 PolarHBondContact O-NE2 3.18Å; N597-Q601 PolarHBondContact O-N 2.79Å; Q601-V603 PolarHBondContact O-N 2.76Å; Q601-M604 PolarHBondContact O-N 3.36Å; Q601-M604 VanDerWaalsContact O-N 3.14Å
602K47.4Very low58.5Low140 Ų140107.5 Ų107.561%0.60954%0.543SS*.THydrogen-bonded Turntrans-65-18.5176.6-83.5-173.9174.6-169.60114.6P598 M604 E605P598-K602 PolarHBondContact O-N 2.91Å; K602-M604 PolarHBondContact O-N 3.1Å; K602-E605 PolarHBondContact O-N 3.1Å
603V46.3Very low57.1Low83 Ų83106.9 Ų106.950%0.50354%0.539SS..THydrogen-bonded Turntrans-68.8-19.8175.5-175.60000111.5P529 Q601P529-V603 HydrophobicContact CG-CG1 4.47Å; Q601-V603 PolarHBondContact O-N 2.76Å
604M41Very low56Low115 Ų115106.5 Ų106.557%0.56754%0.541SS*.THydrogen-bonded Turntrans-82.8-27.1176.5-81.5-175.364.400114.7Q601 K602 H606Q601-M604 PolarHBondContact O-N 3.36Å; Q601-M604 VanDerWaalsContact O-N 3.14Å; K602-M604 PolarHBondContact O-N 3.1Å; M604-H606 VanDerWaalsContact C-N 3.3Å; M604-H606 PolarHBondContact O-N 3.16Å
605E36.6Very low55.3Low164 Ų164109.2 Ų109.277%0.76656%0.557SS**THydrogen-bonded Turntrans-74.9-18.9-177.6-78.2-173.7156.400113.2K602K602-E605 PolarHBondContact O-N 3.1Å
606H38.4Very low55Low175 Ų175107.8 Ų107.881%0.8155%0.55SS**THydrogen-bonded Turntrans-97.52.8179.8-81.7-57.3000115.6M604M604-H606 VanDerWaalsContact C-N 3.3Å; M604-H606 PolarHBondContact O-N 3.16Å
607K38.1Very low54.6Low162 Ų162104.7 Ų104.770%0.70453%0.526SS*.SBendtrans-106.860.2172.7-89.5-176.1175.4173.70111.5
608K36.2Very low54.5Low194 Ų194107.3 Ų107.384%0.84354%0.537SS*.SBendtrans-15330.3167.4-119.4-173.5-168.5-174.40115.5
609E40.4Very low55.4Low192 Ų192109.9 Ų109.990%0.89753%0.534SS*.  trans-134.499.3158.8-73-175.7171.100107.6
610G47.4Very low56.6Low72 Ų72101.9 Ų101.974%0.74250%0.5SS*.PPolyproline II helixtrans-65.2138.6158.400000107.4E612G610-E612 PolarHBondContact O-N 3.19Å; G610-E612 VanDerWaalsContact O-N 3.16Å
611I54.6Low57.8Low57 Ų57104.6 Ų104.629%0.29251%0.511SS..PPolyproline II helixtrans-48.1123.2176.6-63164.7000108.7L613 F616 L686 N687I611-L613 PolarHBondContact O-N 2.73Å; I611-L613 VanDerWaalsContact O-N 3.11Å; I611-F616 HydrophobicContact CG2-CB 4.04Å; I611-L686 HydrophobicContact CD1-CB 3.93Å; I611-L686 WeakPolarHBondContact CD1-O 3.49Å; I611-N687 HydrophobicContact CD1-CB 3.78Å
612E61Low59.3Low149 Ų149105.1 Ų105.170%0.69652%0.516SS*.PPolyproline II helixtrans-55.5119.7169.5-86-174.315800107.9G610 D614 V615 F616G610-E612 PolarHBondContact O-N 3.19Å; G610-E612 VanDerWaalsContact O-N 3.16Å; E612-D614 PolarHBondContact O-N 2.68Å; E612-V615 HydrophobicContact CB-CG2 4.01Å; E612-V615 WeakPolarHBondContact O-CB 3.41Å; E612-V615 PolarHBondContact O-N 2.75Å; E612-F616 PolarHBondContact O-N 3.39Å
613L62.3Low61.1Low76 Ų76100.6 Ų100.640%0.39850%0.497SS..Hα-helixtrans-54-33.1-173.7-15687.5000111.9I611 V615 F616 Q617 E655I611-L613 PolarHBondContact O-N 2.73Å; I611-L613 VanDerWaalsContact O-N 3.11Å; L613-V615 VanDerWaalsContact C-N 3.34Å; L613-V615 PolarHBondContact O-N 2.88Å; L613-F616 PolarHBondContact O-N 2.99Å; L613-Q617 WeakPolarHBondContact O-CB 3.48Å; L613-Q617 PolarHBondContact O-N 2.86Å; L613-E655 HydrophobicContact CD2-CB 4.47Å; L613-E655 HydrophobicContact CD2-CG 3.47Å; L613-E655 VanDerWaalsContact CD2-CG 3.47Å
614D66.3Low62.9Low107 Ų10796.6 Ų96.657%0.57247%0.473SS*.Hα-helixtrans-61.2-37.8175.7-75.26.7000112.9E612 Q617 Q618E612-D614 PolarHBondContact O-N 2.68Å; D614-Q617 PolarHBondContact O-N 2.88Å; D614-Q618 WeakPolarHBondContact O-CB 3.39Å; D614-Q618 WeakPolarHBondContact O-CG 3.49Å; D614-Q618 PolarHBondContact O-N 3.19Å
615V73.3Confident64.9Low60 Ų6093.5 Ų93.536%0.36446%0.459SS..Hα-helixtrans-71.8-40178.9-179.90000110.6E612 L613 R619E612-V615 HydrophobicContact CB-CG2 4.01Å; E612-V615 WeakPolarHBondContact O-CB 3.41Å; E612-V615 PolarHBondContact O-N 2.75Å; L613-V615 VanDerWaalsContact C-N 3.34Å; L613-V615 PolarHBondContact O-N 2.88Å; V615-R619 WeakPolarHBondContact O-CB 3.43Å; V615-R619 WeakPolarHBondContact O-CG 3.38Å; V615-R619 PolarHBondContact O-N 3.1Å; V615-R619 VanDerWaalsContact O-N 3.16Å
616F77.9Confident67.1Low6 Ų692.7 Ų92.73%0.02646%0.46CS..Hα-helixtrans-63.2-44.7174.2-179.9-108.8000111I611 E612 L613 R619 L620 R657 V679 L682 Y683 L686I611-F616 HydrophobicContact CG2-CB 4.04Å; E612-F616 PolarHBondContact O-N 3.39Å; L613-F616 PolarHBondContact O-N 2.99Å; F616-R619 PolarHBondContact O-N 3.38Å; F616-L620 HydrophobicContact CE1-CD2 4.1Å; F616-L620 HydrophobicContact CZ-CD2 4.39Å; F616-L620 VanDerWaalsContact O-CB 3.24Å; F616-L620 WeakPolarHBondContact O-CB 3.31Å; F616-L620 PolarHBondContact O-N 2.87Å; F616-R657 HydrophobicContact CE1-CG 4.32Å; F616-V679 HydrophobicContact CZ-CG1 4.24Å; F616-L682 HydrophobicContact CE2-CB 4.47Å; F616-L682 HydrophobicContact CE2-CD2 4.25Å; F616-L682 HydrophobicContact CE2-CG 4.17Å; F616-Y683 HydrophobicContact CD2-CD2 4.19Å; F616-Y683 AromaticContact CE2-CD2 3.87Å; F616-Y683 HydrophobicContact CE2-CD2 3.87Å; F616-Y683 HydrophobicContact CE2-CG 4.32Å; F616-Y683 HydrophobicContact CZ-CD2 4.1Å; F616-L686 HydrophobicContact CD2-CD1 3.74Å; F616-L686 HydrophobicContact CE2-CD1 4.4Å
617Q75.7Confident69.1Low22 Ų2288.7 Ų88.710%0.10344%0.443CS..Hα-helixtrans-63.6-46-179.3-170.4171.33.900112.3L613 D614 R619 L620 E621 F635 N638 L641 P654L613-Q617 WeakPolarHBondContact O-CB 3.48Å; L613-Q617 PolarHBondContact O-N 2.86Å; D614-Q617 PolarHBondContact O-N 2.88Å; Q617-R619 PolarHBondContact O-N 3.43Å; Q617-L620 PolarHBondContact O-N 3.25Å; Q617-E621 PolarHBondContact O-N 3.27Å; Q617-F635 HydrophobicContact CG-CE2 4.18Å; Q617-F635 HydrophobicContact CG-CZ 4.47Å; Q617-F635 VanDerWaalsContact NE2-CE2 3.35Å; Q617-N638 PolarHBondContact NE2-O 2.79Å; Q617-L641 HydrophobicContact CG-CD1 4.1Å; Q617-P654 HydrophobicContact CG-CB 4.41Å; Q617-P654 HydrophobicContact CG-CG 4.17Å
618Q77Confident71.2Confident121 Ų12183 Ų8357%0.56542%0.418SS*.Hα-helixtrans-62.3-40.3176.7-75.9177.2800112.6D614 I622D614-Q618 WeakPolarHBondContact O-CB 3.39Å; D614-Q618 WeakPolarHBondContact O-CG 3.49Å; D614-Q618 PolarHBondContact O-N 3.19Å; Q618-I622 WeakPolarHBondContact O-CG1 3.42Å; Q618-I622 PolarHBondContact O-N 2.82Å
619R81Confident73.2Confident147 Ų14775.2 Ų75.256%0.55539%0.393SS*.Hα-helixtrans-71.3-36.4178.9-67.7-67.9-177.3-179.1-0.7111.7V615 F616 Q617 M623 L682 L686V615-R619 WeakPolarHBondContact O-CB 3.43Å; V615-R619 WeakPolarHBondContact O-CG 3.38Å; V615-R619 PolarHBondContact O-N 3.1Å; V615-R619 VanDerWaalsContact O-N 3.16Å; F616-R619 PolarHBondContact O-N 3.38Å; Q617-R619 PolarHBondContact O-N 3.43Å; R619-M623 WeakPolarHBondContact O-CB 3.36Å; R619-M623 PolarHBondContact O-N 3.24Å; R619-L682 HydrophobicContact CB-CD1 4.5Å; R619-L682 HydrophobicContact CB-CD2 4.27Å; R619-L686 HydrophobicContact CB-CD1 4.25Å
620L82.4Confident74.9Confident0 Ų074 Ų740%039%0.387CS..Hα-helixtrans-64.9-42.7176.7-17861.2000111.1F616 Q617 M623 L624 I652 V679 L682F616-L620 HydrophobicContact CE1-CD2 4.1Å; F616-L620 HydrophobicContact CZ-CD2 4.39Å; F616-L620 VanDerWaalsContact O-CB 3.24Å; F616-L620 WeakPolarHBondContact O-CB 3.31Å; F616-L620 PolarHBondContact O-N 2.87Å; Q617-L620 PolarHBondContact O-N 3.25Å; L620-M623 HydrophobicContact CD1-CE 3.87Å; L620-M623 PolarHBondContact O-N 3.47Å; L620-L624 HydrophobicContact CD1-CD1 3.96Å; L620-L624 HydrophobicContact CD1-CG 4.17Å; L620-L624 HydrophobicContact CG-CD1 3.94Å; L620-L624 WeakPolarHBondContact O-CB 3.31Å; L620-L624 VanDerWaalsContact O-CG 3.26Å; L620-L624 WeakPolarHBondContact O-CG 3.21Å; L620-L624 PolarHBondContact O-N 3.24Å; L620-I652 HydrophobicContact CD2-CG2 4.12Å; L620-V679 HydrophobicContact CD1-CB 4.46Å; L620-V679 HydrophobicContact CD1-CG2 3.81Å; L620-V679 HydrophobicContact CD2-CG2 4.36Å; L620-L682 HydrophobicContact CB-CD2 3.75Å; L620-L682 HydrophobicContact CD1-CD2 3.85Å; L620-L682 HydrophobicContact CG-CD2 4.43Å
621E80.3Confident76.2Confident63 Ų6378.6 Ų78.629%0.29440%0.395SS..Hα-helixtrans-58.3-53174.8-173-179.4-177.700111.8Q617 M623 L624 L625 L641Q617-E621 PolarHBondContact O-N 3.27Å; E621-M623 VanDerWaalsContact C-N 3.29Å; E621-M623 PolarHBondContact O-N 3.32Å; E621-L624 PolarHBondContact O-N 2.72Å; E621-L625 HydrophobicContact CG-CD1 3.97Å; E621-L625 WeakPolarHBondContact O-CB 3.24Å; E621-L625 VanDerWaalsContact O-CG 3.31Å; E621-L625 WeakPolarHBondContact O-CG 3.37Å; E621-L625 PolarHBondContact O-N 2.86Å; E621-L641 HydrophobicContact CB-CD2 3.95Å; E621-L641 HydrophobicContact CG-CD2 4.23Å
622I82.5Confident77.4Confident102 Ų10277.6 Ų77.652%0.52339%0.392SS..Hα-helixtrans-58.9-42.6179.5-65.7165.7000111.2Q618 L625 D626Q618-I622 WeakPolarHBondContact O-CG1 3.42Å; Q618-I622 PolarHBondContact O-N 2.82Å; I622-L625 PolarHBondContact O-N 2.98Å; I622-D626 WeakPolarHBondContact O-CB 3.25Å; I622-D626 PolarHBondContact O-N 3.27Å
623M85.1Confident78.3Confident45 Ų4571.4 Ų71.422%0.22237%0.365CS..Hα-helixtrans-66.2-42.1-179.4-173.3-172.670.600111.8R619 L620 E621 D626 M627 A678 L682R619-M623 WeakPolarHBondContact O-CB 3.36Å; R619-M623 PolarHBondContact O-N 3.24Å; L620-M623 HydrophobicContact CD1-CE 3.87Å; L620-M623 PolarHBondContact O-N 3.47Å; E621-M623 VanDerWaalsContact C-N 3.29Å; E621-M623 PolarHBondContact O-N 3.32Å; M623-D626 PolarHBondContact O-N 2.83Å; M623-M627 HydrophobicContact CE-SD 4.45Å; M623-M627 HydrophobicContact CG-SD 4.09Å; M623-M627 WeakPolarHBondContact O-CB 3.39Å; M623-M627 VanDerWaalsContact O-CG 3.24Å; M623-M627 WeakPolarHBondContact O-CG 3.39Å; M623-M627 PolarHBondContact O-N 3.49Å; M623-A678 HydrophobicContact CE-CB 3.71Å; M623-A678 WeakPolarHBondContact CE-O 3.48Å; M623-L682 HydrophobicContact CE-CB 3.97Å; M623-L682 HydrophobicContact CE-CD2 3.99Å; M623-L682 HydrophobicContact SD-CB 3.91Å; M623-L682 HydrophobicContact SD-CD1 4.17Å; M623-L682 HydrophobicContact SD-CD2 4.14Å; M623-L682 HydrophobicContact SD-CG 4.29Å
624L83.3Confident79Confident0 Ų071.2 Ų71.20%036%0.364CS..Hα-helixtrans-69.8-37.2178.7-67.5171.4000111.8L620 E621 D626 M627 F628 V633 L641 V643 I652L620-L624 HydrophobicContact CD1-CD1 3.96Å; L620-L624 HydrophobicContact CD1-CG 4.17Å; L620-L624 HydrophobicContact CG-CD1 3.94Å; L620-L624 WeakPolarHBondContact O-CB 3.31Å; L620-L624 VanDerWaalsContact O-CG 3.26Å; L620-L624 WeakPolarHBondContact O-CG 3.21Å; L620-L624 PolarHBondContact O-N 3.24Å; E621-L624 PolarHBondContact O-N 2.72Å; L624-D626 VanDerWaalsContact C-N 3.35Å; L624-M627 PolarHBondContact O-N 2.87Å; L624-F628 HydrophobicContact CD2-CD2 4.15Å; L624-F628 HydrophobicContact CD2-CE2 3.81Å; L624-F628 WeakPolarHBondContact O-CD2 3.49Å; L624-F628 PolarHBondContact O-N 2.98Å; L624-V633 HydrophobicContact CB-CG1 4.44Å; L624-V633 HydrophobicContact CB-CG2 4.19Å; L624-L641 HydrophobicContact CD1-CD2 4.21Å; L624-V643 HydrophobicContact CB-CG2 4.39Å; L624-V643 HydrophobicContact CD1-CG2 4.01Å; L624-V643 HydrophobicContact CD2-CG2 4.3Å; L624-V643 HydrophobicContact CG-CG2 4.47Å; L624-I652 HydrophobicContact CD1-CD1 3.43Å; L624-I652 VanDerWaalsContact CD1-CD1 3.43Å
625L83.3Confident79.3Confident50 Ų5069 Ų6926%0.26235%0.35SS..Hα-helixtrans-61.4-41.6173.1-73.6168.4000111.9E621 I622 G629 E630 V633E621-L625 HydrophobicContact CG-CD1 3.97Å; E621-L625 WeakPolarHBondContact O-CB 3.24Å; E621-L625 VanDerWaalsContact O-CG 3.31Å; E621-L625 WeakPolarHBondContact O-CG 3.37Å; E621-L625 PolarHBondContact O-N 2.86Å; I622-L625 PolarHBondContact O-N 2.98Å; L625-G629 WeakPolarHBondContact O-CA 3.23Å; L625-G629 PolarHBondContact O-N 3.34Å; L625-E630 HydrophobicContact CD2-CB 4.43Å; L625-E630 HydrophobicContact CD2-CG 4.24Å; L625-V633 HydrophobicContact CD2-CB 3.79Å; L625-V633 HydrophobicContact CD2-CG1 4.39Å; L625-V633 HydrophobicContact CD2-CG2 4.17Å; L625-V633 HydrophobicContact CG-CB 4.38Å
626D82.2Confident78.7Confident146 Ų14672.2 Ų72.278%0.78136%0.359SS*.Hα-helixtrans-69.3-36176.8-165.952.4000112.1I622 M623 L624I622-D626 WeakPolarHBondContact O-CB 3.25Å; I622-D626 PolarHBondContact O-N 3.27Å; M623-D626 PolarHBondContact O-N 2.83Å; L624-D626 VanDerWaalsContact C-N 3.35Å
627M80.1Confident77.6Confident92 Ų9279.1 Ų79.145%0.45340%0.396SS..Hα-helixtrans-75.1-37.5-179.3-74.8-178.467.100114M623 L624 A678M623-M627 HydrophobicContact CE-SD 4.45Å; M623-M627 HydrophobicContact CG-SD 4.09Å; M623-M627 WeakPolarHBondContact O-CB 3.39Å; M623-M627 VanDerWaalsContact O-CG 3.24Å; M623-M627 WeakPolarHBondContact O-CG 3.39Å; M623-M627 PolarHBondContact O-N 3.49Å; L624-M627 PolarHBondContact O-N 2.87Å; M627-A678 HydrophobicContact CE-CB 4.12Å; M627-A678 HydrophobicContact SD-CB 4.02Å
628F82.7Confident76.7Confident41 Ų4184 Ų8418%0.1842%0.423CS..Hα-helixtrans-120.8-12.8-170-59.3-74.2000114.5L624 C632 V633 V643 V645 L671 V675L624-F628 HydrophobicContact CD2-CD2 4.15Å; L624-F628 HydrophobicContact CD2-CE2 3.81Å; L624-F628 WeakPolarHBondContact O-CD2 3.49Å; L624-F628 PolarHBondContact O-N 2.98Å; F628-C632 HydrophobicContact CB-CB 4.03Å; F628-C632 WeakPolarHBondContact O-CB 3.45Å; F628-C632 PolarHBondContact O-SG 3.05Å; F628-V633 HydrophobicContact CB-CG2 4.44Å; F628-V643 HydrophobicContact CB-CG1 4.21Å; F628-V643 HydrophobicContact CD1-CG1 4.39Å; F628-V643 HydrophobicContact CD2-CG1 3.76Å; F628-V643 HydrophobicContact CE2-CG1 4.21Å; F628-V643 HydrophobicContact CG-CG1 3.86Å; F628-V645 HydrophobicContact CB-CG2 4.33Å; F628-V645 HydrophobicContact CD1-CG2 3.75Å; F628-V645 HydrophobicContact CE1-CG2 4.43Å; F628-V645 HydrophobicContact CG-CG2 4.28Å; F628-L671 HydrophobicContact CD1-CD1 4.47Å; F628-L671 HydrophobicContact CE1-CD1 3.76Å; F628-L671 HydrophobicContact CZ-CD1 4.15Å; F628-V675 HydrophobicContact CE2-CG2 4.04Å; F628-V675 HydrophobicContact CZ-CG2 3.9Å
629G77.6Confident75.8Confident32 Ų3284.7 Ų84.733%0.3342%0.424SS..  trans90.2155.4-178.800000114.1L625 D631 C632L625-G629 WeakPolarHBondContact O-CA 3.23Å; L625-G629 PolarHBondContact O-N 3.34Å; G629-D631 VanDerWaalsContact C-N 3.27Å; G629-D631 PolarHBondContact O-N 3.04Å; G629-C632 PolarHBondContact O-N 3.46Å; G629-C632 VanDerWaalsContact O-N 3.12Å
630E76.3Confident75.1Confident165 Ų16581.3 Ų81.377%0.77142%0.417SS*.G310 helixtrans-60-32.6-175-67.7-175.9172.500113.6L625 C632L625-E630 HydrophobicContact CD2-CB 4.43Å; L625-E630 HydrophobicContact CD2-CG 4.24Å; E630-C632 PolarHBondContact O-N 2.92Å
631D76.1Confident75Confident170 Ų17081.3 Ų81.391%0.90942%0.417SS*.G310 helixtrans-75.5-11.2-179-62.5-36.5000113.4G629G629-D631 VanDerWaalsContact C-N 3.27Å; G629-D631 PolarHBondContact O-N 3.04Å
632C78.3Confident75.1Confident35 Ų3578.8 Ų78.824%0.23641%0.406CS..G310 helixtrans-105.2-10.7-174.2-62.60000113.6F628 G629 E630 V643 T644 V645F628-C632 HydrophobicContact CB-CB 4.03Å; F628-C632 WeakPolarHBondContact O-CB 3.45Å; F628-C632 PolarHBondContact O-SG 3.05Å; G629-C632 PolarHBondContact O-N 3.46Å; G629-C632 VanDerWaalsContact O-N 3.12Å; E630-C632 PolarHBondContact O-N 2.92Å; C632-V643 CarbonylContact O-C 3.52Å; C632-V643 WeakPolarHBondContact O-CA 3.34Å; C632-T644 VanDerWaalsContact CB-O 3.3Å; C632-T644 WeakPolarHBondContact CB-O 3.14Å; C632-T644 PolarHBondContact O-N 3.2Å; C632-V645 HydrophobicContact CB-CG2 4.26Å
633V80.5Confident75.1Confident20 Ų2074 Ų7412%0.12138%0.381CS..EExtended strand (participates in β ladder)trans-118119.8-176.3-1730000109.9L624 L625 F628 T642 V643L624-V633 HydrophobicContact CB-CG1 4.44Å; L624-V633 HydrophobicContact CB-CG2 4.19Å; L625-V633 HydrophobicContact CD2-CB 3.79Å; L625-V633 HydrophobicContact CD2-CG1 4.39Å; L625-V633 HydrophobicContact CD2-CG2 4.17Å; L625-V633 HydrophobicContact CG-CB 4.38Å; F628-V633 HydrophobicContact CB-CG2 4.44Å; V633-T642 CarbonylContact C-O 3.55Å; V633-T642 WeakPolarHBondContact CA-O 2.92Å; V633-V643 HydrophobicContact CG1-CG2 4.44Å; V633-V643 HydrophobicContact CG2-CG2 4.23Å
634D77.7Confident74.8Confident71 Ų7174.4 Ų74.438%0.3839%0.386SS..EExtended strand (participates in β ladder)trans-117.7134.7178.2-177.124.1000110.4K636 T642D634-K636 WeakPolarHBondContact OD2-CE 3.33Å; D634-K636 IonicContact OD2-NZ 3.1Å; D634-K636 PolarHBondContact OD2-NZ 3.29Å; D634-K636 VanDerWaalsContact OD2-NZ 3.1Å; D634-T642 WeakPolarHBondContact CB-OG1 3.33Å; D634-T642 PolarHBondContact N-O 3.12Å; D634-T642 PolarHBondContact O-N 2.9Å; D634-T642 PolarHBondContact O-OG1 3.1Å
635F72.8Confident74.6Confident62 Ų6276.1 Ų76.127%0.27240%0.397SS..EExtended strand (participates in β ladder)trans-111.295.8-176-169-98.1000109.6Q617 N638 L641Q617-F635 HydrophobicContact CG-CE2 4.18Å; Q617-F635 HydrophobicContact CG-CZ 4.47Å; Q617-F635 VanDerWaalsContact NE2-CE2 3.35Å; F635-N638 VanDerWaalsContact CE1-CA 3.49Å; F635-N638 HydrophobicContact CE1-CB 4.36Å; F635-N638 WeakPolarHBondContact CE1-OD1 3.3Å; F635-L641 HydrophobicContact CD2-CD1 4.16Å; F635-L641 HydrophobicContact CD2-CD2 4.09Å; F635-L641 HydrophobicContact CD2-CG 3.7Å; F635-L641 HydrophobicContact CE2-CD1 3.88Å; F635-L641 HydrophobicContact CE2-CD2 4.48Å; F635-L641 HydrophobicContact CE2-CG 3.96Å
636K59.6Low74.1Confident127 Ų12781.2 Ų81.255%0.55242%0.424SS*.EExtended strand (participates in β ladder)trans-96.8124.3-179.8-80.9175.71761430111.5D634 N638 N640D634-K636 WeakPolarHBondContact OD2-CE 3.33Å; D634-K636 IonicContact OD2-NZ 3.1Å; D634-K636 PolarHBondContact OD2-NZ 3.29Å; D634-K636 VanDerWaalsContact OD2-NZ 3.1Å; K636-N638 PolarHBondContact O-N 2.72Å; K636-N640 PolarHBondContact N-O 3.06Å
637D56.3Low73.5Confident151 Ų15177.6 Ų77.681%0.80742%0.421SS*.THydrogen-bonded Turntrans58.135166.1-62.7-29.8000117.4K639D637-K639 PolarHBondContact O-N 3.32Å
638N55.6Low73.3Confident125 Ų12574.5 Ų74.567%0.66841%0.407SS*.THydrogen-bonded Turntrans59.53.9176.2-87.525.8000116.2Q617 F635 K636Q617-N638 PolarHBondContact NE2-O 2.79Å; F635-N638 VanDerWaalsContact CE1-CA 3.49Å; F635-N638 HydrophobicContact CE1-CB 4.36Å; F635-N638 WeakPolarHBondContact CE1-OD1 3.3Å; K636-N638 PolarHBondContact O-N 2.72Å
639K58.5Low73Confident134 Ų13473.9 Ų73.958%0.58341%0.406SS*.THydrogen-bonded Turntrans-124.6-29-172.2-72-170174.3-167.20114.9D637 P654D637-K639 PolarHBondContact O-N 3.32Å; K639-P654 WeakPolarHBondContact O-CD 3.5Å
640N67.1Low73.1Confident77 Ų7772.4 Ų72.441%0.41239%0.391SS..EExtended strand (participates in β ladder)trans-131.6131-176-66.5-19.3000110.4K636K636-N640 PolarHBondContact N-O 3.06Å
641L79.1Confident73.3Confident0 Ų068.3 Ų68.30%037%0.37CS..EExtended strand (participates in β ladder)trans-94.4140.2171.9-78.6101.1000109.6Q617 E621 L624 F635 I652 P654Q617-L641 HydrophobicContact CG-CD1 4.1Å; E621-L641 HydrophobicContact CB-CD2 3.95Å; E621-L641 HydrophobicContact CG-CD2 4.23Å; L624-L641 HydrophobicContact CD1-CD2 4.21Å; F635-L641 HydrophobicContact CD2-CD1 4.16Å; F635-L641 HydrophobicContact CD2-CD2 4.09Å; F635-L641 HydrophobicContact CD2-CG 3.7Å; F635-L641 HydrophobicContact CE2-CD1 3.88Å; F635-L641 HydrophobicContact CE2-CD2 4.48Å; F635-L641 HydrophobicContact CE2-CG 3.96Å; L641-I652 HydrophobicContact CB-CB 4.24Å; L641-I652 HydrophobicContact CB-CD1 4.44Å; L641-I652 PolarHBondContact N-O 3.12Å; L641-I652 PolarHBondContact O-N 3.45Å; L641-P654 HydrophobicContact CD1-CG 3.56Å
642T82.1Confident73.6Confident10 Ų1060.3 Ų60.36%0.06133%0.327CS..EExtended strand (participates in β ladder)trans-122.8135.2174.252.20000111.5V633 D634 A650 F651V633-T642 CarbonylContact C-O 3.55Å; V633-T642 WeakPolarHBondContact CA-O 2.92Å; D634-T642 WeakPolarHBondContact CB-OG1 3.33Å; D634-T642 PolarHBondContact N-O 3.12Å; D634-T642 PolarHBondContact O-N 2.9Å; D634-T642 PolarHBondContact O-OG1 3.1Å; T642-A650 CarbonylContact C-O 3.51Å; T642-A650 WeakPolarHBondContact CA-O 3.4Å; T642-F651 HydrophobicContact CG2-CD1 3.29Å; T642-F651 HydrophobicContact CG2-CE1 3.58Å; T642-F651 HydrophobicContact CG2-CG 4.15Å
643V82.4Confident73.5Confident0 Ų059.9 Ų59.90%033%0.325CS..EExtended strand (participates in β ladder)trans-120.1118.2175.5-178.80000108.2L624 F628 C632 V633 V645 T649 A650 I652L624-V643 HydrophobicContact CB-CG2 4.39Å; L624-V643 HydrophobicContact CD1-CG2 4.01Å; L624-V643 HydrophobicContact CD2-CG2 4.3Å; L624-V643 HydrophobicContact CG-CG2 4.47Å; F628-V643 HydrophobicContact CB-CG1 4.21Å; F628-V643 HydrophobicContact CD1-CG1 4.39Å; F628-V643 HydrophobicContact CD2-CG1 3.76Å; F628-V643 HydrophobicContact CE2-CG1 4.21Å; F628-V643 HydrophobicContact CG-CG1 3.86Å; C632-V643 CarbonylContact O-C 3.52Å; C632-V643 WeakPolarHBondContact O-CA 3.34Å; V633-V643 HydrophobicContact CG1-CG2 4.44Å; V633-V643 HydrophobicContact CG2-CG2 4.23Å; V643-V645 HydrophobicContact CG1-CG2 4.09Å; V643-T649 WeakPolarHBondContact O-CA 3.41Å; V643-A650 HydrophobicContact CB-CB 4.33Å; V643-A650 PolarHBondContact N-O 3.45Å; V643-A650 PolarHBondContact O-N 3.09Å; V643-I652 HydrophobicContact CG2-CD1 4.01Å
644T80.4Confident73.1Confident54 Ų5459.1 Ų59.133%0.33132%0.32SS..EExtended strand (participates in β ladder)trans-115.4115.6179.8-47.40000109.8C632 N648C632-T644 VanDerWaalsContact CB-O 3.3Å; C632-T644 WeakPolarHBondContact CB-O 3.14Å; C632-T644 PolarHBondContact O-N 3.2Å; T644-N648 VanDerWaalsContact CA-O 3.27Å; T644-N648 WeakPolarHBondContact CA-O 3.31Å
645V78.4Confident72.7Confident36 Ų3661.3 Ų61.322%0.21833%0.328CS..EExtended strand (participates in β ladder)trans-129.8130.1177.3-177.80000108.2F628 C632 V643 G647 N648 L671F628-V645 HydrophobicContact CB-CG2 4.33Å; F628-V645 HydrophobicContact CD1-CG2 3.75Å; F628-V645 HydrophobicContact CE1-CG2 4.43Å; F628-V645 HydrophobicContact CG-CG2 4.28Å; C632-V645 HydrophobicContact CB-CG2 4.26Å; V643-V645 HydrophobicContact CG1-CG2 4.09Å; V645-G647 PolarHBondContact O-N 3.34Å; V645-N648 PolarHBondContact N-O 3.06Å; V645-N648 PolarHBondContact O-N 3.35Å; V645-L671 HydrophobicContact CB-CD1 4.22Å; V645-L671 HydrophobicContact CB-CD2 4.15Å; V645-L671 HydrophobicContact CG2-CD1 4.1Å
646D72.3Confident72.7Confident158 Ų15862 Ų6285%0.84534%0.338SS*.THydrogen-bonded Turntrans50.333.9178.3-63.1-34.8000114.9
647G69.9Low73.5Confident69 Ų6960.8 Ų60.871%0.71133%0.33SS*.THydrogen-bonded Turntrans87.31.4178.500000115.5V645V645-G647 PolarHBondContact O-N 3.34Å
648N75.6Confident74.4Confident28 Ų2856.5 Ų56.515%0.1531%0.309CS..EExtended strand (participates in β ladder)trans-103.2129.3175.6-68.6-45.2000111.1T644 V645 S665 L671T644-N648 VanDerWaalsContact CA-O 3.27Å; T644-N648 WeakPolarHBondContact CA-O 3.31Å; V645-N648 PolarHBondContact N-O 3.06Å; V645-N648 PolarHBondContact O-N 3.35Å; N648-S665 WeakPolarHBondContact OD1-CB 3.43Å; N648-S665 PolarHBondContact OD1-OG 3.47Å; N648-L671 HydrophobicContact CB-CD2 4.07Å
649T77.4Confident75.4Confident28 Ų2851.2 Ų51.217%0.17228%0.281CS..EExtended strand (participates in β ladder)trans-111.2124.2-175.7-48.60000111.9V643 F651 Y661V643-T649 WeakPolarHBondContact O-CA 3.41Å; T649-F651 HydrophobicContact CG2-CD2 4.47Å; T649-F651 HydrophobicContact CG2-CE1 4.3Å; T649-F651 HydrophobicContact CG2-CE2 3.91Å; T649-F651 HydrophobicContact CG2-CZ 3.8Å; T649-Y661 WeakPolarHBondContact O-CD1 3.41Å
650A79.8Confident76.2Confident0 Ų051.1 Ų51.10%028%0.283CS..EExtended strand (participates in β ladder)trans-99129.217100000110.7T642 V643 V659 Y661T642-A650 CarbonylContact C-O 3.51Å; T642-A650 WeakPolarHBondContact CA-O 3.4Å; V643-A650 HydrophobicContact CB-CB 4.33Å; V643-A650 PolarHBondContact N-O 3.45Å; V643-A650 PolarHBondContact O-N 3.09Å; A650-V659 HydrophobicContact CB-CG1 4.14Å; A650-Y661 HydrophobicContact CB-CD1 4.21Å; A650-Y661 HydrophobicContact CB-CE1 3.35Å; A650-Y661 HydrophobicContact CB-CE2 4.35Å; A650-Y661 WeakPolarHBondContact CB-OH 3.38Å
651F80.1Confident76.4Confident80 Ų8050.1 Ų50.135%0.35127%0.274SS..EExtended strand (participates in β ladder)trans-105.3117.7174.1-61.1-90000110T642 T649 V659 Q660 E662T642-F651 HydrophobicContact CG2-CD1 3.29Å; T642-F651 HydrophobicContact CG2-CE1 3.58Å; T642-F651 HydrophobicContact CG2-CG 4.15Å; T649-F651 HydrophobicContact CG2-CD2 4.47Å; T649-F651 HydrophobicContact CG2-CE1 4.3Å; T649-F651 HydrophobicContact CG2-CE2 3.91Å; T649-F651 HydrophobicContact CG2-CZ 3.8Å; F651-V659 CarbonylContact O-C 3.59Å; F651-V659 VanDerWaalsContact O-CA 3.29Å; F651-V659 WeakPolarHBondContact O-CA 3.33Å; F651-Q660 HydrophobicContact CB-CB 4.41Å; F651-Q660 PolarHBondContact N-O 2.94Å; F651-Q660 PolarHBondContact O-N 3.19Å; F651-E662 HydrophobicContact CE2-CB 4.4Å
652I82.3Confident75.6Confident1 Ų156.5 Ų56.51%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-109.8124.5-176.7-52.1163.7000108.6L620 L624 L641 V643 P654 V659 V675 V679L620-I652 HydrophobicContact CD2-CG2 4.12Å; L624-I652 HydrophobicContact CD1-CD1 3.43Å; L624-I652 VanDerWaalsContact CD1-CD1 3.43Å; L641-I652 HydrophobicContact CB-CB 4.24Å; L641-I652 HydrophobicContact CB-CD1 4.44Å; L641-I652 PolarHBondContact N-O 3.12Å; L641-I652 PolarHBondContact O-N 3.45Å; V643-I652 HydrophobicContact CG2-CD1 4.01Å; I652-P654 WeakPolarHBondContact O-CD 3.3Å; I652-V659 HydrophobicContact CG1-CG1 4.06Å; I652-V659 HydrophobicContact CG1-CG2 4.24Å; I652-V659 HydrophobicContact CG2-CG2 4.47Å; I652-V675 HydrophobicContact CD1-CG1 3.41Å; I652-V675 VanDerWaalsContact CD1-CG1 3.41Å; I652-V675 HydrophobicContact CG1-CG1 3.75Å; I652-V679 HydrophobicContact CD1-CG2 4.45Å; I652-V679 HydrophobicContact CG2-CG2 3.93Å
653C76.7Confident74.1Confident27 Ų2765.8 Ų65.818%0.18235%0.346CS..EExtended strand (participates in β ladder)trans-99106.3171.8-179.10000109.5E655 T656 R657 T658C653-E655 VanDerWaalsContact C-N 3.27Å; C653-E655 PolarHBondContact O-N 3.31Å; C653-T656 VanDerWaalsContact CB-OG1 3.29Å; C653-T656 WeakPolarHBondContact CB-OG1 3.41Å; C653-T656 PolarHBondContact O-N 2.96Å; C653-T656 PolarHBondContact SG-OG1 3.37Å; C653-R657 WeakPolarHBondContact O-CA 3.46Å; C653-R657 PolarHBondContact O-N 2.87Å; C653-T658 PolarHBondContact N-O 3.1Å
654P70.4Confident72.8Confident4 Ų469.6 Ų69.63%0.02639%0.385CS..THydrogen-bonded Turntrans-63.5-30.2-176.9-21.834.8000113.5Q617 K639 L641 I652Q617-P654 HydrophobicContact CG-CB 4.41Å; Q617-P654 HydrophobicContact CG-CG 4.17Å; K639-P654 WeakPolarHBondContact O-CD 3.5Å; L641-P654 HydrophobicContact CD1-CG 3.56Å; I652-P654 WeakPolarHBondContact O-CD 3.3Å
655E70.1Confident71.4Confident117 Ų11769.8 Ų69.855%0.54739%0.389SS..THydrogen-bonded Turntrans-66.3-47.5177.8-72.5175.8-17000112.3L613 C653L613-E655 HydrophobicContact CD2-CB 4.47Å; L613-E655 HydrophobicContact CD2-CG 3.47Å; L613-E655 VanDerWaalsContact CD2-CG 3.47Å; C653-E655 VanDerWaalsContact C-N 3.27Å; C653-E655 PolarHBondContact O-N 3.31Å
656T73.5Confident70.1Confident77 Ų7773.1 Ų73.147%0.47242%0.42SS..THydrogen-bonded Turntrans-95-13.8-176.562.30000112.8C653 T658C653-T656 VanDerWaalsContact CB-OG1 3.29Å; C653-T656 WeakPolarHBondContact CB-OG1 3.41Å; C653-T656 PolarHBondContact O-N 2.96Å; C653-T656 PolarHBondContact SG-OG1 3.37Å; T656-T658 PolarHBondContact O-N 3.4Å; T656-T658 PolarHBondContact OG1-N 3.06Å; T656-T658 PolarHBondContact OG1-OG1 2.89Å
657R75.9Confident69Low100 Ų10074.2 Ų74.238%0.37742%0.42SS..THydrogen-bonded Turntrans58.519.8-171.8-56163-66.9170.12.5113.4F616 C653 V679F616-R657 HydrophobicContact CE1-CG 4.32Å; C653-R657 WeakPolarHBondContact O-CA 3.46Å; C653-R657 PolarHBondContact O-N 2.87Å; R657-V679 HydrophobicContact CB-CG1 4.21Å
658T74.5Confident68.3Low62 Ų6274.3 Ų74.338%0.3841%0.405SS..EExtended strand (participates in β ladder)trans-86.2140.6177.659.40000110.1C653 T656C653-T658 PolarHBondContact N-O 3.1Å; T656-T658 PolarHBondContact O-N 3.4Å; T656-T658 PolarHBondContact OG1-N 3.06Å; T656-T658 PolarHBondContact OG1-OG1 2.89Å
659V77.7Confident67.7Low13 Ų1379.8 Ų79.88%0.07943%0.429CS..EExtended strand (participates in β ladder)trans-111.2121.6172.5-167.20000107.8A650 F651 I652 Y661 V675 E676 V679A650-V659 HydrophobicContact CB-CG1 4.14Å; F651-V659 CarbonylContact O-C 3.59Å; F651-V659 VanDerWaalsContact O-CA 3.29Å; F651-V659 WeakPolarHBondContact O-CA 3.33Å; I652-V659 HydrophobicContact CG1-CG1 4.06Å; I652-V659 HydrophobicContact CG1-CG2 4.24Å; I652-V659 HydrophobicContact CG2-CG2 4.47Å; V659-Y661 HydrophobicContact CB-CE2 4.24Å; V659-Y661 HydrophobicContact CG1-CD2 4.36Å; V659-Y661 HydrophobicContact CG1-CE2 3.42Å; V659-Y661 VanDerWaalsContact CG1-CE2 3.42Å; V659-Y661 WeakPolarHBondContact CG1-OH 3.41Å; V659-V675 HydrophobicContact CG1-CG1 4.01Å; V659-V675 HydrophobicContact CG2-CG1 4.16Å; V659-E676 HydrophobicContact CB-CG 3.71Å; V659-E676 HydrophobicContact CG2-CB 4.44Å; V659-E676 HydrophobicContact CG2-CG 3.63Å; V659-V679 HydrophobicContact CG2-CG2 4.43Å
660Q74.1Confident67.3Low133 Ų13381.9 Ų81.962%0.62144%0.442SS*.EExtended strand (participates in β ladder)trans-112.8151.2178.3-64.5-174.4-8.400109.7F651F651-Q660 HydrophobicContact CB-CB 4.41Å; F651-Q660 PolarHBondContact N-O 2.94Å; F651-Q660 PolarHBondContact O-N 3.19Å
661Y72.1Confident67.1Low56 Ų5682.3 Ų82.322%0.2244%0.444CS..EExtended strand (participates in β ladder)trans-125.6153.8-179.2-73.1-94.6000110.2T649 A650 V659 E663 L671 R672T649-Y661 WeakPolarHBondContact O-CD1 3.41Å; A650-Y661 HydrophobicContact CB-CD1 4.21Å; A650-Y661 HydrophobicContact CB-CE1 3.35Å; A650-Y661 HydrophobicContact CB-CE2 4.35Å; A650-Y661 WeakPolarHBondContact CB-OH 3.38Å; V659-Y661 HydrophobicContact CB-CE2 4.24Å; V659-Y661 HydrophobicContact CG1-CD2 4.36Å; V659-Y661 HydrophobicContact CG1-CE2 3.42Å; V659-Y661 VanDerWaalsContact CG1-CE2 3.42Å; V659-Y661 WeakPolarHBondContact CG1-OH 3.41Å; Y661-E663 PolarHBondContact O-N 2.81Å; Y661-L671 PolarHBondContact OH-O 3.25Å; Y661-R672 HydrophobicContact CD2-CB 4.08Å; Y661-R672 HydrophobicContact CD2-CG 3.94Å; Y661-R672 HydrophobicContact CE1-CB 4.19Å; Y661-R672 HydrophobicContact CE2-CB 3.45Å; Y661-R672 VanDerWaalsContact CE2-CB 3.45Å; Y661-R672 HydrophobicContact CE2-CG 3.37Å; Y661-R672 VanDerWaalsContact CZ-CA 3.42Å; Y661-R672 WeakPolarHBondContact OH-CA 3.48Å
662E62.9Low66.8Low134 Ų13483.7 Ų83.763%0.62645%0.447SS*.  trans-68.2125.2175.4-155.5168.5-161.900109.9F651 G664F651-E662 HydrophobicContact CE2-CB 4.4Å; E662-G664 PolarHBondContact O-N 3.11Å
663E50.5Low66.6Low205 Ų20589.6 Ų89.696%0.95848%0.475SS*.THydrogen-bonded Turntrans-66.1100.4-177.8-78.5-174.8155.900110.6Y661Y661-E663 PolarHBondContact O-N 2.81Å
664G55.4Low66.7Low79 Ų7992.8 Ų92.881%0.81449%0.488SS*.THydrogen-bonded Turntrans162.1-14.6173.100000117.9E662E662-G664 PolarHBondContact O-N 3.11Å
665S50.8Low67.3Low59 Ų5992.6 Ų92.641%0.41349%0.487SS..  trans-102.490.8178.462.60000112.4N648 E667N648-S665 WeakPolarHBondContact OD1-CB 3.43Å; N648-S665 PolarHBondContact OD1-OG 3.47Å; S665-E667 PolarHBondContact O-N 3.14Å; S665-E667 VanDerWaalsContact O-N 3.12Å
666A50.1Low67.9Low106 Ų10690.2 Ų90.288%0.87648%0.476SS*.THydrogen-bonded Turntrans-77.819.7-179.400000114.5
667E50.1Low68.2Low180 Ų18090.7 Ų90.784%0.84148%0.475SS*.THydrogen-bonded Turntrans-124.810.5-172.1-78.8-167.4164.400116.5S665S665-E667 PolarHBondContact O-N 3.14Å; S665-E667 VanDerWaalsContact O-N 3.12Å
668D54.6Low68.5Low72 Ų7286.3 Ų86.339%0.38546%0.46SS..  trans-153.680.1165.7-112.1-31.6000114.6T670D668-T670 VanDerWaalsContact CG-OG1 3.31Å; D668-T670 PolarHBondContact O-N 2.95Å; D668-T670 WeakPolarHBondContact OD1-CB 3.23Å; D668-T670 WeakPolarHBondContact OD1-CG2 3.32Å; D668-T670 PolarHBondContact OD1-OG1 3.33Å
669E63.2Low69Low143 Ų14383.4 Ų83.467%0.66844%0.443SS*.Hα-helixtrans-59.6-16.7161.1-84.4-165.5152.200111.9R672 E673E669-R672 WeakPolarHBondContact O-CB 3.38Å; E669-R672 PolarHBondContact O-N 3.26Å; E669-E673 WeakPolarHBondContact O-CG 3.4Å; E669-E673 PolarHBondContact O-N 3.06Å
670T69.1Low69Low71 Ų7186.7 Ų86.744%0.43646%0.457SS..Hα-helixtrans-68.1-40.9-176.4730000112.9D668 R672 M674D668-T670 VanDerWaalsContact CG-OG1 3.31Å; D668-T670 PolarHBondContact O-N 2.95Å; D668-T670 WeakPolarHBondContact OD1-CB 3.23Å; D668-T670 WeakPolarHBondContact OD1-CG2 3.32Å; D668-T670 PolarHBondContact OD1-OG1 3.33Å; T670-R672 VanDerWaalsContact C-N 3.26Å; T670-R672 PolarHBondContact O-N 3.37Å; T670-M674 VanDerWaalsContact O-CB 3.31Å; T670-M674 WeakPolarHBondContact O-CB 3.42Å; T670-M674 WeakPolarHBondContact O-CE 3.17Å; T670-M674 WeakPolarHBondContact O-CG 3.4Å; T670-M674 PolarHBondContact O-N 2.81Å
671L75.9Confident69.3Low10 Ų1088.3 Ų88.35%0.05246%0.457CS..Hα-helixtrans-65.7-35.5175.6-175.465.3000110.5F628 V645 N648 Y661 V675F628-L671 HydrophobicContact CD1-CD1 4.47Å; F628-L671 HydrophobicContact CE1-CD1 3.76Å; F628-L671 HydrophobicContact CZ-CD1 4.15Å; V645-L671 HydrophobicContact CB-CD1 4.22Å; V645-L671 HydrophobicContact CB-CD2 4.15Å; V645-L671 HydrophobicContact CG2-CD1 4.1Å; N648-L671 HydrophobicContact CB-CD2 4.07Å; Y661-L671 PolarHBondContact OH-O 3.25Å; L671-V675 HydrophobicContact CD1-CG2 4.21Å; L671-V675 HydrophobicContact CG-CG2 4.46Å; L671-V675 WeakPolarHBondContact O-CB 3.48Å; L671-V675 VanDerWaalsContact O-CG2 3.26Å; L671-V675 WeakPolarHBondContact O-CG2 3.41Å; L671-V675 PolarHBondContact O-N 3.06Å
672R74.1Confident69.8Low108 Ų10886.8 Ų86.841%0.40845%0.453SS..Hα-helixtrans-61.4-56.8174.1175.8168.4-178.6-156.5-6.1113.4Y661 E669 T670 M674 V675 E676Y661-R672 HydrophobicContact CD2-CB 4.08Å; Y661-R672 HydrophobicContact CD2-CG 3.94Å; Y661-R672 HydrophobicContact CE1-CB 4.19Å; Y661-R672 HydrophobicContact CE2-CB 3.45Å; Y661-R672 VanDerWaalsContact CE2-CB 3.45Å; Y661-R672 HydrophobicContact CE2-CG 3.37Å; Y661-R672 VanDerWaalsContact CZ-CA 3.42Å; Y661-R672 WeakPolarHBondContact OH-CA 3.48Å; E669-R672 WeakPolarHBondContact O-CB 3.38Å; E669-R672 PolarHBondContact O-N 3.26Å; T670-R672 VanDerWaalsContact C-N 3.26Å; T670-R672 PolarHBondContact O-N 3.37Å; R672-M674 VanDerWaalsContact C-N 3.26Å; R672-M674 PolarHBondContact O-N 3.47Å; R672-V675 PolarHBondContact O-N 2.94Å; R672-E676 HydrophobicContact CG-CG 4.38Å; R672-E676 IonicContact CZ-OE1 3.49Å; R672-E676 IonicContact NE-OE1 2.83Å; R672-E676 PolarHBondContact NE-OE1 3.17Å; R672-E676 IonicContact NH2-OE1 3.22Å; R672-E676 PolarHBondContact NH2-OE1 3.04Å; R672-E676 WeakPolarHBondContact O-CB 3.38Å; R672-E676 WeakPolarHBondContact O-CG 3.47Å; R672-E676 PolarHBondContact O-N 3.27Å
673E76.9Confident70.4Confident125 Ų12583.3 Ų83.358%0.58443%0.434SS*.Hα-helixtrans-62-37.6179.4-69.4-175.3162.200111.5E669 L677E669-E673 WeakPolarHBondContact O-CG 3.4Å; E669-E673 PolarHBondContact O-N 3.06Å; E673-L677 WeakPolarHBondContact O-CB 3.31Å; E673-L677 PolarHBondContact O-N 3.4Å
674M79.9Confident71.5Confident94 Ų9477.3 Ų77.346%0.46341%0.409SS..Hα-helixtrans-64.4-47.1177.5-81.8-168.8-74.900112.7T670 R672 A678T670-M674 VanDerWaalsContact O-CB 3.31Å; T670-M674 WeakPolarHBondContact O-CB 3.42Å; T670-M674 WeakPolarHBondContact O-CE 3.17Å; T670-M674 WeakPolarHBondContact O-CG 3.4Å; T670-M674 PolarHBondContact O-N 2.81Å; R672-M674 VanDerWaalsContact C-N 3.26Å; R672-M674 PolarHBondContact O-N 3.47Å; M674-A678 VanDerWaalsContact O-CB 3.26Å; M674-A678 WeakPolarHBondContact O-CB 3.14Å; M674-A678 PolarHBondContact O-N 3.04Å
675V81.7Confident72.3Confident0 Ų077 Ų770%040%0.399CS..Hα-helixtrans-70.8-43.6-179.4174.60000110.9F628 I652 V659 L671 R672 L677 A678 V679F628-V675 HydrophobicContact CE2-CG2 4.04Å; F628-V675 HydrophobicContact CZ-CG2 3.9Å; I652-V675 HydrophobicContact CD1-CG1 3.41Å; I652-V675 VanDerWaalsContact CD1-CG1 3.41Å; I652-V675 HydrophobicContact CG1-CG1 3.75Å; V659-V675 HydrophobicContact CG1-CG1 4.01Å; V659-V675 HydrophobicContact CG2-CG1 4.16Å; L671-V675 HydrophobicContact CD1-CG2 4.21Å; L671-V675 HydrophobicContact CG-CG2 4.46Å; L671-V675 WeakPolarHBondContact O-CB 3.48Å; L671-V675 VanDerWaalsContact O-CG2 3.26Å; L671-V675 WeakPolarHBondContact O-CG2 3.41Å; L671-V675 PolarHBondContact O-N 3.06Å; R672-V675 PolarHBondContact O-N 2.94Å; V675-L677 PolarHBondContact O-N 2.73Å; V675-A678 PolarHBondContact O-N 2.84Å; V675-V679 HydrophobicContact CG1-CG2 4.36Å; V675-V679 VanDerWaalsContact O-CG2 3.23Å; V675-V679 WeakPolarHBondContact O-CG2 3.44Å; V675-V679 PolarHBondContact O-N 3.26Å
676E82.6Confident73.2Confident68 Ų6877.1 Ų77.132%0.31840%0.395SS..Hα-helixtrans-59.1-46.2174.9-76.5-178.8-177.800111.4V659 R672 A678 V679 Q680V659-E676 HydrophobicContact CB-CG 3.71Å; V659-E676 HydrophobicContact CG2-CB 4.44Å; V659-E676 HydrophobicContact CG2-CG 3.63Å; R672-E676 HydrophobicContact CG-CG 4.38Å; R672-E676 IonicContact CZ-OE1 3.49Å; R672-E676 IonicContact NE-OE1 2.83Å; R672-E676 PolarHBondContact NE-OE1 3.17Å; R672-E676 IonicContact NH2-OE1 3.22Å; R672-E676 PolarHBondContact NH2-OE1 3.04Å; R672-E676 WeakPolarHBondContact O-CB 3.38Å; R672-E676 WeakPolarHBondContact O-CG 3.47Å; R672-E676 PolarHBondContact O-N 3.27Å; E676-A678 VanDerWaalsContact C-N 3.35Å; E676-A678 PolarHBondContact O-N 2.99Å; E676-V679 PolarHBondContact O-N 2.89Å; E676-Q680 WeakPolarHBondContact O-CB 3.44Å; E676-Q680 PolarHBondContact O-N 2.77Å
677L81.3Confident73.9Confident86 Ų8675.9 Ų75.945%0.4537%0.373SS..Hα-helixtrans-65.9-37.2178.7-173.467.1000112E673 V675 R681E673-L677 WeakPolarHBondContact O-CB 3.31Å; E673-L677 PolarHBondContact O-N 3.4Å; V675-L677 PolarHBondContact O-N 2.73Å; L677-R681 HydrophobicContact CD1-CG 4.45Å; L677-R681 HydrophobicContact CG-CG 4.45Å; L677-R681 VanDerWaalsContact O-CB 3.27Å; L677-R681 WeakPolarHBondContact O-CB 3.27Å; L677-R681 VanDerWaalsContact O-CG 3.23Å; L677-R681 WeakPolarHBondContact O-CG 3.41Å; L677-R681 PolarHBondContact O-N 3.45Å
678A81.9Confident74Confident9 Ų971.8 Ų71.87%0.07436%0.362CS..Hα-helixtrans-67-47.2177.200000111.5M623 M627 M674 V675 E676 Q680 R681 L682M623-A678 HydrophobicContact CE-CB 3.71Å; M623-A678 WeakPolarHBondContact CE-O 3.48Å; M627-A678 HydrophobicContact CE-CB 4.12Å; M627-A678 HydrophobicContact SD-CB 4.02Å; M674-A678 VanDerWaalsContact O-CB 3.26Å; M674-A678 WeakPolarHBondContact O-CB 3.14Å; M674-A678 PolarHBondContact O-N 3.04Å; V675-A678 PolarHBondContact O-N 2.84Å; E676-A678 VanDerWaalsContact C-N 3.35Å; E676-A678 PolarHBondContact O-N 2.99Å; A678-Q680 VanDerWaalsContact C-N 3.33Å; A678-Q680 PolarHBondContact O-N 2.97Å; A678-R681 PolarHBondContact O-N 2.85Å; A678-L682 WeakPolarHBondContact O-CB 3.21Å; A678-L682 PolarHBondContact O-N 2.91Å
679V83.4Confident73.6Confident1 Ų173.1 Ų73.11%0.00638%0.383CS..Hα-helixtrans-57.9-46.6175.5173.40000110.5F616 L620 I652 R657 V659 V675 E676 L682 Y683F616-V679 HydrophobicContact CZ-CG1 4.24Å; L620-V679 HydrophobicContact CD1-CB 4.46Å; L620-V679 HydrophobicContact CD1-CG2 3.81Å; L620-V679 HydrophobicContact CD2-CG2 4.36Å; I652-V679 HydrophobicContact CD1-CG2 4.45Å; I652-V679 HydrophobicContact CG2-CG2 3.93Å; R657-V679 HydrophobicContact CB-CG1 4.21Å; V659-V679 HydrophobicContact CG2-CG2 4.43Å; V675-V679 HydrophobicContact CG1-CG2 4.36Å; V675-V679 VanDerWaalsContact O-CG2 3.23Å; V675-V679 WeakPolarHBondContact O-CG2 3.44Å; V675-V679 PolarHBondContact O-N 3.26Å; E676-V679 PolarHBondContact O-N 2.89Å; V679-L682 PolarHBondContact O-N 2.77Å; V679-Y683 WeakPolarHBondContact O-CB 3.37Å; V679-Y683 PolarHBondContact O-N 2.8Å
680Q79.4Confident72.5Confident82 Ų8276.7 Ų76.738%0.38341%0.405SS..Hα-helixtrans-65-46.3179.4-175.359.638.500111.8E676 A678 L682 Y683 D684E676-Q680 WeakPolarHBondContact O-CB 3.44Å; E676-Q680 PolarHBondContact O-N 2.77Å; A678-Q680 VanDerWaalsContact C-N 3.33Å; A678-Q680 PolarHBondContact O-N 2.97Å; Q680-L682 PolarHBondContact O-N 3.36Å; Q680-Y683 PolarHBondContact O-N 3.21Å; Q680-D684 VanDerWaalsContact NE2-CG 3.32Å; Q680-D684 PolarHBondContact NE2-OD1 3.29Å; Q680-D684 PolarHBondContact NE2-OD2 3.35Å; Q680-D684 WeakPolarHBondContact O-CB 3.41Å; Q680-D684 VanDerWaalsContact O-CG 3.25Å; Q680-D684 PolarHBondContact O-N 3.1Å
681R80.3Confident72.7Confident166 Ų16677 Ų7763%0.62640%0.403SS*.Hα-helixtrans-63.2-39.6178.2-79.5178.7176.2-177.71.7112.7L677 A678 Y683 D684 A685L677-R681 HydrophobicContact CD1-CG 4.45Å; L677-R681 HydrophobicContact CG-CG 4.45Å; L677-R681 VanDerWaalsContact O-CB 3.27Å; L677-R681 WeakPolarHBondContact O-CB 3.27Å; L677-R681 VanDerWaalsContact O-CG 3.23Å; L677-R681 WeakPolarHBondContact O-CG 3.41Å; L677-R681 PolarHBondContact O-N 3.45Å; A678-R681 PolarHBondContact O-N 2.85Å; R681-Y683 VanDerWaalsContact C-N 3.34Å; R681-D684 PolarHBondContact O-N 3.31Å; R681-A685 WeakPolarHBondContact O-CB 3.42Å; R681-A685 PolarHBondContact O-N 3.41Å
682L81.8Confident72.5Confident25 Ų2580.5 Ų80.513%0.13142%0.422CS..Hα-helixtrans-65.8-41.1176.3-177.764.6000110.8F616 R619 L620 M623 A678 V679 Q680 A685 L686F616-L682 HydrophobicContact CE2-CB 4.47Å; F616-L682 HydrophobicContact CE2-CD2 4.25Å; F616-L682 HydrophobicContact CE2-CG 4.17Å; R619-L682 HydrophobicContact CB-CD1 4.5Å; R619-L682 HydrophobicContact CB-CD2 4.27Å; L620-L682 HydrophobicContact CB-CD2 3.75Å; L620-L682 HydrophobicContact CD1-CD2 3.85Å; L620-L682 HydrophobicContact CG-CD2 4.43Å; M623-L682 HydrophobicContact CE-CB 3.97Å; M623-L682 HydrophobicContact CE-CD2 3.99Å; M623-L682 HydrophobicContact SD-CB 3.91Å; M623-L682 HydrophobicContact SD-CD1 4.17Å; M623-L682 HydrophobicContact SD-CD2 4.14Å; M623-L682 HydrophobicContact SD-CG 4.29Å; A678-L682 WeakPolarHBondContact O-CB 3.21Å; A678-L682 PolarHBondContact O-N 2.91Å; V679-L682 PolarHBondContact O-N 2.77Å; Q680-L682 PolarHBondContact O-N 3.36Å; L682-A685 PolarHBondContact O-N 3.42Å; L682-L686 HydrophobicContact CD1-CD1 3.93Å; L682-L686 HydrophobicContact CD1-CG 4.28Å; L682-L686 HydrophobicContact CG-CD1 3.88Å; L682-L686 WeakPolarHBondContact O-CB 3.4Å; L682-L686 WeakPolarHBondContact O-CG 3.49Å; L682-L686 PolarHBondContact O-N 2.8Å
683Y76.1Confident72.4Confident60 Ų6079 Ų7924%0.23542%0.423CS..Hα-helixtrans-63.1-45.9175.6-173-92.2000111.5F616 V679 Q680 R681 A685 L686 N687F616-Y683 HydrophobicContact CD2-CD2 4.19Å; F616-Y683 AromaticContact CE2-CD2 3.87Å; F616-Y683 HydrophobicContact CE2-CD2 3.87Å; F616-Y683 HydrophobicContact CE2-CG 4.32Å; F616-Y683 HydrophobicContact CZ-CD2 4.1Å; V679-Y683 WeakPolarHBondContact O-CB 3.37Å; V679-Y683 PolarHBondContact O-N 2.8Å; Q680-Y683 PolarHBondContact O-N 3.21Å; R681-Y683 VanDerWaalsContact C-N 3.34Å; Y683-A685 VanDerWaalsContact C-N 3.31Å; Y683-A685 PolarHBondContact O-N 2.73Å; Y683-L686 CarbonylContact O-C 3.59Å; Y683-L686 PolarHBondContact O-N 2.82Å; Y683-N687 HydrophobicContact CE1-CB 4.24Å; Y683-N687 WeakPolarHBondContact O-CB 3.2Å; Y683-N687 PolarHBondContact O-N 3.26Å; Y683-N687 PolarHBondContact OH-ND2 2.8Å
684D73.9Confident72.2Confident79 Ų7976.3 Ų76.342%0.42241%0.413SS..Hα-helixtrans-66.8-32.2177.7-66.3-22.9000112.2Q680 R681 N687 P688Q680-D684 VanDerWaalsContact NE2-CG 3.32Å; Q680-D684 PolarHBondContact NE2-OD1 3.29Å; Q680-D684 PolarHBondContact NE2-OD2 3.35Å; Q680-D684 WeakPolarHBondContact O-CB 3.41Å; Q680-D684 VanDerWaalsContact O-CG 3.25Å; Q680-D684 PolarHBondContact O-N 3.1Å; R681-D684 PolarHBondContact O-N 3.31Å; D684-N687 CarbonylContact O-C 3.55Å; D684-N687 PolarHBondContact O-N 2.91Å; D684-P688 WeakPolarHBondContact O-CA 3.45Å; D684-P688 VanDerWaalsContact O-N 3.17Å
685A72.1Confident71.7Confident73 Ų7375.2 Ų75.260%0.60341%0.41SS*.Hα-helixtrans-73.3-34.8175.600000112.8R681 L682 Y683 N687R681-A685 WeakPolarHBondContact O-CB 3.42Å; R681-A685 PolarHBondContact O-N 3.41Å; L682-A685 PolarHBondContact O-N 3.42Å; Y683-A685 VanDerWaalsContact C-N 3.31Å; Y683-A685 PolarHBondContact O-N 2.73Å; A685-N687 VanDerWaalsContact C-N 3.34Å
686L68.6Low71Confident62 Ų6280.2 Ų80.233%0.32544%0.437SS..Hα-helixtrans-81.8-17.4174.2-69.1169000112.2I611 F616 R619 L682 Y683 P688I611-L686 HydrophobicContact CD1-CB 3.93Å; I611-L686 WeakPolarHBondContact CD1-O 3.49Å; F616-L686 HydrophobicContact CD2-CD1 3.74Å; F616-L686 HydrophobicContact CE2-CD1 4.4Å; R619-L686 HydrophobicContact CB-CD1 4.25Å; L682-L686 HydrophobicContact CD1-CD1 3.93Å; L682-L686 HydrophobicContact CD1-CG 4.28Å; L682-L686 HydrophobicContact CG-CD1 3.88Å; L682-L686 WeakPolarHBondContact O-CB 3.4Å; L682-L686 WeakPolarHBondContact O-CG 3.49Å; L682-L686 PolarHBondContact O-N 2.8Å; Y683-L686 CarbonylContact O-C 3.59Å; Y683-L686 PolarHBondContact O-N 2.82Å; L686-P688 VanDerWaalsContact C-CD 3.45Å
687N64.1Low70.2Confident79 Ų7981.1 Ų81.142%0.42245%0.446SS..SBendtrans-127.863.7176.6-154.83.6000111.5I611 Y683 D684 A685 A689I611-N687 HydrophobicContact CD1-CB 3.78Å; Y683-N687 HydrophobicContact CE1-CB 4.24Å; Y683-N687 WeakPolarHBondContact O-CB 3.2Å; Y683-N687 PolarHBondContact O-N 3.26Å; Y683-N687 PolarHBondContact OH-ND2 2.8Å; D684-N687 CarbonylContact O-C 3.55Å; D684-N687 PolarHBondContact O-N 2.91Å; A685-N687 VanDerWaalsContact C-N 3.34Å; N687-A689 PolarHBondContact O-N 3.29Å
688P53.8Low69.3Low95 Ų9580.7 Ų80.762%0.61745%0.445SS*.  trans-66.8109.9179.826.6-31.5000108.7D684 L686 I690D684-P688 WeakPolarHBondContact O-CA 3.45Å; D684-P688 VanDerWaalsContact O-N 3.17Å; L686-P688 VanDerWaalsContact C-CD 3.45Å; P688-I690 PolarHBondContact O-N 3.35Å
689A45.6Very low68.3Low100 Ų10086.7 Ų86.783%0.82648%0.476SS*.  trans-56.8114.1-17900000112.1N687N687-A689 PolarHBondContact O-N 3.29Å
690I40Very low66.9Low218 Ų21894.5 Ų94.5100%1.11852%0.519SS*.  trans-123.80140.7-65.8-179.4000107.2P688P688-I690 PolarHBondContact O-N 3.35Å

Retrieved 690 of 690 residues in 1435.5 ms (Link to these results)

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