A0A3B3U2I7_9TELE Loading...

Cytotoxic granule associated RNA binding protein TIA1

AlphaFold DB , UniProt , Accession A0A3B3U2I7, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 386 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
1M33.6Very low73.2Confident234 Ų23496.5 Ų96.5100%1.15348%0.483SS*.  0124.80-77.5172.7168.700105.8
2D35.8Very low74.7Confident156 Ų15688.5 Ų88.583%0.83444%0.444SS*.  trans32.489.2174.3-57.4-80.5000117.2E4D2-E4 PolarHBondContact O-N 3.31Å; D2-E4 VanDerWaalsContact O-N 3.08Å
3D45.7Very low75.9Confident163 Ų16385.2 Ų85.287%0.87243%0.428SS*.  trans-52.2113.4154.5-79.9-82.2000108.5Q5D3-Q5 PolarHBondContact O-N 2.7Å
4E66.8Low76.9Confident153 Ų15379.1 Ų79.172%0.71540%0.398SS*.  trans-6796.4-171.7-170.4173.6-17700110.5D2 K7D2-E4 PolarHBondContact O-N 3.31Å; D2-E4 VanDerWaalsContact O-N 3.08Å; E4-K7 IonicContact OE1-NZ 3.23Å; E4-K7 PolarHBondContact OE1-NZ 3.06Å
5Q79.4Confident77.7Confident120 Ų12075.3 Ų75.356%0.56138%0.382SS*.  trans-51.6137-178.6-63.5175.8-7.800110.6D3 K7 H56D3-Q5 PolarHBondContact O-N 2.7Å; Q5-K7 VanDerWaalsContact O-CG 3.32Å; Q5-K7 WeakPolarHBondContact O-CG 3.33Å; Q5-K7 PolarHBondContact O-N 3.22Å; Q5-H56 HydrophobicContact CB-CB 3.82Å; Q5-H56 PolarHBondContact OE1-CD2 2.81Å
6P82.8Confident78.3Confident66 Ų6680.2 Ų80.243%0.42939%0.394SS..  trans-62.4131.3-171.425-34.5000111.3H56 W80P6-H56 PolarHBondContact O-ND1 2.84Å; P6-W80 HydrophobicContact CB-CD2 4.41Å; P6-W80 HydrophobicContact CB-CE3 3.83Å; P6-W80 HydrophobicContact CB-CZ3 4.14Å; P6-W80 HydrophobicContact CG-CD2 4.06Å; P6-W80 HydrophobicContact CG-CE3 3.86Å; P6-W80 HydrophobicContact CG-CH2 4.46Å; P6-W80 HydrophobicContact CG-CZ3 4.07Å; P6-W80 WeakPolarHBondContact O-CZ3 2.85Å
7K90.5Very high78.9Confident59 Ų5982.4 Ų82.426%0.25741%0.408SS..  trans-111.9-7.2-177.5-52.7172.3-169162.10113E4 Q5 F53E4-K7 IonicContact OE1-NZ 3.23Å; E4-K7 PolarHBondContact OE1-NZ 3.06Å; Q5-K7 VanDerWaalsContact O-CG 3.32Å; Q5-K7 WeakPolarHBondContact O-CG 3.33Å; Q5-K7 PolarHBondContact O-N 3.22Å; K7-F53 WeakPolarHBondContact CB-O 3.35Å; K7-F53 PolarHBondContact O-N 2.98Å
8T90.9Very high79.5Confident29 Ų2978.1 Ų78.118%0.17839%0.387CS..EExtended strand (participates in β ladder)trans-107.2135.1-174.5-430000111F50 V51 E52 A81T8-F50 HydrophobicContact CG2-CB 4.3Å; T8-V51 CarbonylContact C-O 3.58Å; T8-V51 WeakPolarHBondContact CA-O 3.15Å; T8-E52 HydrophobicContact CG2-CB 4.39Å; T8-A81 HydrophobicContact CG2-CB 3.71Å; T8-A81 WeakPolarHBondContact O-CB 3.48Å; T8-A81 PolarHBondContact O-N 3.08Å
9L93.4Very high80.1Confident0 Ų078.1 Ų78.10%039%0.392CS..EExtended strand (participates in β ladder)trans-110.2144.4176.7-56.4-172.4000110.7F27 F50 V51 F53 A59 T62 I63 V78 N79 W80L9-F27 HydrophobicContact CD1-CE1 4.43Å; L9-F50 CarbonylContact O-C 3.58Å; L9-F50 VanDerWaalsContact O-CA 3.25Å; L9-F50 WeakPolarHBondContact O-CA 3.47Å; L9-V51 PolarHBondContact N-O 2.98Å; L9-V51 PolarHBondContact O-N 3.42Å; L9-F53 HydrophobicContact CD1-CD2 4.41Å; L9-F53 HydrophobicContact CD1-CE2 3.74Å; L9-F53 HydrophobicContact CG-CD2 4.5Å; L9-F53 HydrophobicContact CG-CE2 4.23Å; L9-A59 HydrophobicContact CD1-CB 4.45Å; L9-A59 HydrophobicContact CD2-CB 3.96Å; L9-A59 HydrophobicContact CG-CB 4.16Å; L9-T62 HydrophobicContact CD1-CG2 3.58Å; L9-I63 HydrophobicContact CD1-CG1 4.08Å; L9-I63 HydrophobicContact CD2-CD1 3.55Å; L9-I63 HydrophobicContact CD2-CG1 3.55Å; L9-I63 HydrophobicContact CG-CG1 4.45Å; L9-V78 HydrophobicContact CB-CG1 4.29Å; L9-V78 HydrophobicContact CD1-CG1 3.74Å; L9-N79 CarbonylContact C-O 3.59Å; L9-N79 VanDerWaalsContact CA-O 3.31Å; L9-N79 WeakPolarHBondContact CA-O 3.41Å; L9-W80 HydrophobicContact CD2-CD2 4.3Å; L9-W80 HydrophobicContact CD2-CE3 3.57Å; L9-W80 HydrophobicContact CD2-CH2 4.41Å; L9-W80 HydrophobicContact CD2-CZ3 3.63Å
10Y93.3Very high80.6Confident81 Ų8177.9 Ų77.932%0.31839%0.389SS..EExtended strand (participates in β ladder)trans-95.4127.2162.6168.4-93.1000108.3Y48 F50 V78 N79Y10-Y48 HydrophobicContact CD2-CD2 4.08Å; Y10-Y48 AromaticContact CE2-CD2 3.49Å; Y10-Y48 HydrophobicContact CE2-CD2 3.49Å; Y10-Y48 VanDerWaalsContact CE2-CD2 3.49Å; Y10-Y48 HydrophobicContact CE2-CE2 4.22Å; Y10-Y48 AromaticContact CE2-CG 3.73Å; Y10-Y48 HydrophobicContact CE2-CG 3.73Å; Y10-F50 HydrophobicContact CD2-CD1 4.41Å; Y10-F50 AromaticContact CD2-CE1 3.78Å; Y10-F50 HydrophobicContact CD2-CE1 3.78Å; Y10-F50 HydrophobicContact CD2-CZ 4.04Å; Y10-F50 HydrophobicContact CG-CE1 4.4Å; Y10-V78 WeakPolarHBondContact O-CA 3.41Å; Y10-N79 PolarHBondContact N-O 3.22Å; Y10-N79 PolarHBondContact O-N 3.27Å
11V93.1Very high81.1Confident0 Ų077.3 Ų77.30%040%0.396CS..EExtended strand (participates in β ladder)trans-118.8102177.2-173.10000108L14 F27 Y48 C49 V51 V76 K77 V78V11-L14 HydrophobicContact CG1-CD2 3.77Å; V11-F27 HydrophobicContact CG1-CZ 4.1Å; V11-F27 HydrophobicContact CG2-CE1 3.53Å; V11-F27 HydrophobicContact CG2-CZ 3.6Å; V11-Y48 CarbonylContact O-C 3.45Å; V11-Y48 WeakPolarHBondContact O-CA 3.28Å; V11-Y48 WeakPolarHBondContact O-CB 3.45Å; V11-C49 PolarHBondContact N-O 3.32Å; V11-C49 PolarHBondContact O-N 3.34Å; V11-V51 HydrophobicContact CG2-CG2 4.03Å; V11-V76 HydrophobicContact CG1-CB 4.34Å; V11-K77 WeakPolarHBondContact CA-O 3.45Å; V11-V78 HydrophobicContact CG1-CG2 4.24Å; V11-V78 HydrophobicContact CG2-CG1 4.37Å; V11-V78 HydrophobicContact CG2-CG2 4.45Å
12G91.1Very high83.9Confident1 Ų168.2 Ų68.21%0.0135%0.352CS..EExtended strand (participates in β ladder)trans-107.5178-179.400000113.8L14 K77G12-L14 VanDerWaalsContact C-N 3.3Å; G12-L14 PolarHBondContact O-N 3.01Å; G12-K77 PolarHBondContact N-O 2.79Å; G12-K77 PolarHBondContact O-N 2.9Å
13N90Very high86.7Confident45 Ų4560.8 Ų60.824%0.24131%0.313CS..SBendtrans61.132.9179.9-160.942.2000113.9D46 K74 E75 K77N13-D46 PolarHBondContact OD1-OD2 3.35Å; N13-K74 WeakPolarHBondContact O-CD 3.39Å; N13-K74 WeakPolarHBondContact OD1-CE 3.47Å; N13-K74 PolarHBondContact OD1-NZ 3.07Å; N13-E75 PolarHBondContact ND2-O 3.41Å; N13-K77 HydrophobicContact CB-CD 4.35Å; N13-K77 HydrophobicContact CB-CG 4.2Å
14L90.6Very high88.9Confident0 Ų055.5 Ų55.50%028%0.284CS..  trans-69.7159.6177.1-57.9179.6000111.1V11 G12 V18 I23 M38 P47 K74 V76V11-L14 HydrophobicContact CG1-CD2 3.77Å; G12-L14 VanDerWaalsContact C-N 3.3Å; G12-L14 PolarHBondContact O-N 3.01Å; L14-V18 HydrophobicContact CB-CB 4.27Å; L14-V18 HydrophobicContact CB-CG2 4.31Å; L14-V18 HydrophobicContact CD1-CG1 4.3Å; L14-V18 HydrophobicContact CD2-CG1 4.37Å; L14-I23 HydrophobicContact CD2-CD1 4.04Å; L14-M38 HydrophobicContact CD1-CE 3.9Å; L14-P47 HydrophobicContact CB-CB 4.24Å; L14-P47 WeakPolarHBondContact CB-O 3.44Å; L14-P47 PolarHBondContact N-O 3.47Å; L14-K74 WeakPolarHBondContact O-CD 3.33Å; L14-K74 PolarHBondContact O-NZ 3Å; L14-V76 HydrophobicContact CD2-CB 4.17Å; L14-V76 HydrophobicContact CD2-CG1 3.56Å
15S89Confident90.1Very high23 Ų2354.4 Ų54.416%0.16128%0.279CS..  trans-76158.4162.1-167.60000109.8D17 V18S15-D17 PolarHBondContact O-N 2.8Å; S15-D17 PolarHBondContact OG-OD2 3.12Å; S15-V18 WeakPolarHBondContact O-CB 3.5Å; S15-V18 PolarHBondContact O-N 3.1Å
16R86.9Confident90.8Very high153 Ų15350.8 Ų50.858%0.57726%0.263SS*.THydrogen-bonded Turntrans-67.3-20.4174.5-69.3-177.9172.8-135.2-6.6113.3V18 G44 P47R16-V18 VanDerWaalsContact C-N 3.33Å; R16-G44 VanDerWaalsContact NH2-C 3.32Å; R16-G44 PolarHBondContact NH2-O 2.77Å; R16-P47 HydrophobicContact CG-CG 4.09Å
17D87.9Confident91.3Very high117 Ų11747.6 Ų47.663%0.62624%0.243SC*.THydrogen-bonded Turntrans-84.2-8176.8-37.3-72.8000112.8S15 T19 L72S15-D17 PolarHBondContact O-N 2.8Å; S15-D17 PolarHBondContact OG-OD2 3.12Å; D17-T19 PolarHBondContact O-N 3.21Å; D17-L72 HydrophobicContact CB-CD1 3.77Å; D17-L72 WeakPolarHBondContact O-CD1 3.33Å
18V89.9Confident91.4Very high5 Ų547.7 Ų47.73%0.0325%0.251CS..  trans-75.7123.3177.5-178.90000109L14 S15 R16 L22 I23 M38 I71 L72L14-V18 HydrophobicContact CB-CB 4.27Å; L14-V18 HydrophobicContact CB-CG2 4.31Å; L14-V18 HydrophobicContact CD1-CG1 4.3Å; L14-V18 HydrophobicContact CD2-CG1 4.37Å; S15-V18 WeakPolarHBondContact O-CB 3.5Å; S15-V18 PolarHBondContact O-N 3.1Å; R16-V18 VanDerWaalsContact C-N 3.33Å; V18-L22 HydrophobicContact CG1-CD2 4.36Å; V18-I23 HydrophobicContact CG1-CD1 3.72Å; V18-I23 HydrophobicContact CG1-CG1 3.71Å; V18-M38 HydrophobicContact CG1-CE 4.1Å; V18-M38 WeakPolarHBondContact O-CE 3.14Å; V18-I71 HydrophobicContact CG1-CG2 4.45Å; V18-I71 HydrophobicContact CG2-CG2 3.93Å; V18-L72 HydrophobicContact CG2-CB 4.43Å; V18-L72 HydrophobicContact CG2-CD1 3.86Å; V18-L72 HydrophobicContact CG2-CG 4.25Å
19T91.5Very high91.5Very high78 Ų7853.3 Ų53.348%0.47928%0.275SS..  trans-97.7160.5175.964.10000112D17 A21 L22 I23 M38D17-T19 PolarHBondContact O-N 3.21Å; T19-A21 VanDerWaalsContact C-N 3.26Å; T19-A21 PolarHBondContact O-N 2.92Å; T19-L22 PolarHBondContact O-N 3.1Å; T19-L22 PolarHBondContact OG1-N 3.15Å; T19-I23 PolarHBondContact O-N 3.23Å; T19-M38 VanDerWaalsContact C-CE 3.4Å
20E89.8Confident91.6Very high75 Ų7555.7 Ų55.735%0.3529%0.287SS..Hα-helixtrans-59.6-39174.8-166.3174.8109.100112L22 I23 L24 C36 M38E20-L22 PolarHBondContact O-N 3.5Å; E20-I23 PolarHBondContact O-N 2.84Å; E20-L24 HydrophobicContact CG-CD1 4.37Å; E20-L24 PolarHBondContact O-N 3.34Å; E20-C36 HydrophobicContact CG-CB 3.89Å; E20-C36 VanDerWaalsContact CG-SG 3.59Å; E20-M38 HydrophobicContact CB-CB 4.08Å; E20-M38 HydrophobicContact CG-CB 4.29Å; E20-M38 PolarHBondContact OE2-N 2.9Å
21A90.4Very high91.5Very high65 Ų6552.1 Ų52.154%0.53728%0.275SS..Hα-helixtrans-60.6-42.8176.200000112.4T19 I23 L24 E25T19-A21 VanDerWaalsContact C-N 3.26Å; T19-A21 PolarHBondContact O-N 2.92Å; A21-I23 PolarHBondContact O-N 3.1Å; A21-L24 PolarHBondContact O-N 3.39Å; A21-E25 WeakPolarHBondContact O-CB 3.31Å; A21-E25 PolarHBondContact O-N 2.93Å
22L92.9Very high91.5Very high43 Ų4355.3 Ų55.323%0.22530%0.296CS..Hα-helixtrans-63.7-40.3176.9178.261.2000111.9V18 T19 E20 L26 I71 L72V18-L22 HydrophobicContact CG1-CD2 4.36Å; T19-L22 PolarHBondContact O-N 3.1Å; T19-L22 PolarHBondContact OG1-N 3.15Å; E20-L22 PolarHBondContact O-N 3.5Å; L22-L26 HydrophobicContact CD1-CD1 3.96Å; L22-L26 HydrophobicContact CD1-CG 4.19Å; L22-L26 HydrophobicContact CG-CD1 4.05Å; L22-L26 WeakPolarHBondContact O-CB 3.37Å; L22-L26 VanDerWaalsContact O-CG 3.26Å; L22-L26 WeakPolarHBondContact O-CG 3.36Å; L22-L26 PolarHBondContact O-N 3.3Å; L22-L26 VanDerWaalsContact O-N 3.08Å; L22-I71 HydrophobicContact CD2-CG2 4.08Å; L22-L72 HydrophobicContact CD2-CD1 4Å; L22-L72 HydrophobicContact CD2-CD2 4.47Å; L22-L72 HydrophobicContact CD2-CG 4.16Å
23I93.8Very high91.5Very high0 Ų056.2 Ų56.20%030%0.302CS..Hα-helixtrans-65.1-46174.7-65.6-62.1000110.9L14 V18 T19 E20 A21 E25 L26 F27 M38 V51 I71L14-I23 HydrophobicContact CD2-CD1 4.04Å; V18-I23 HydrophobicContact CG1-CD1 3.72Å; V18-I23 HydrophobicContact CG1-CG1 3.71Å; T19-I23 PolarHBondContact O-N 3.23Å; E20-I23 PolarHBondContact O-N 2.84Å; A21-I23 PolarHBondContact O-N 3.1Å; I23-E25 PolarHBondContact O-N 3.35Å; I23-L26 PolarHBondContact O-N 2.77Å; I23-F27 HydrophobicContact CD1-CE2 4.37Å; I23-F27 HydrophobicContact CG2-CD1 4.46Å; I23-F27 HydrophobicContact CG2-CD2 3.94Å; I23-F27 HydrophobicContact CG2-CE2 4.09Å; I23-F27 HydrophobicContact CG2-CG 4.17Å; I23-F27 HydrophobicContact CG2-CZ 4.43Å; I23-F27 VanDerWaalsContact O-CB 3.28Å; I23-F27 WeakPolarHBondContact O-CB 3.32Å; I23-F27 VanDerWaalsContact O-CD2 3.28Å; I23-F27 WeakPolarHBondContact O-CD2 3.41Å; I23-F27 PolarHBondContact O-N 3.15Å; I23-M38 HydrophobicContact CG1-CE 4.19Å; I23-V51 HydrophobicContact CG2-CG2 3.71Å; I23-I71 HydrophobicContact CD1-CD1 4Å
24L92.4Very high91.4Very high53 Ų5359.4 Ų59.428%0.27731%0.313SS..Hα-helixtrans-58.3-45.7177.1-82168.1000111.8E20 A21 S28 C33 C36E20-L24 HydrophobicContact CG-CD1 4.37Å; E20-L24 PolarHBondContact O-N 3.34Å; A21-L24 PolarHBondContact O-N 3.39Å; L24-S28 WeakPolarHBondContact O-CB 3.44Å; L24-S28 PolarHBondContact O-N 2.84Å; L24-S28 PolarHBondContact O-OG 3.35Å; L24-C33 HydrophobicContact CD2-CB 3.74Å; L24-C36 HydrophobicContact CD1-CB 4.01Å; L24-C36 HydrophobicContact CD2-CB 3.51Å; L24-C36 HydrophobicContact CG-CB 3.56Å
25E92.6Very high91.1Very high130 Ų13061.9 Ų61.961%0.60733%0.331SS*.Hα-helixtrans-60.6-49.9178.2-173.4-178.616800111.5A21 I23A21-E25 WeakPolarHBondContact O-CB 3.31Å; A21-E25 PolarHBondContact O-N 2.93Å; I23-E25 PolarHBondContact O-N 3.35Å
26L93.4Very high91.1Very high43 Ų4361.6 Ų61.623%0.22533%0.329CS..Hα-helixtrans-65.4-39.9-179.7-70.5171.4000112.8L22 I23 M66 I71L22-L26 HydrophobicContact CD1-CD1 3.96Å; L22-L26 HydrophobicContact CD1-CG 4.19Å; L22-L26 HydrophobicContact CG-CD1 4.05Å; L22-L26 WeakPolarHBondContact O-CB 3.37Å; L22-L26 VanDerWaalsContact O-CG 3.26Å; L22-L26 WeakPolarHBondContact O-CG 3.36Å; L22-L26 PolarHBondContact O-N 3.3Å; L22-L26 VanDerWaalsContact O-N 3.08Å; I23-L26 PolarHBondContact O-N 2.77Å; L26-M66 HydrophobicContact CB-CE 4.21Å; L26-I71 HydrophobicContact CD1-CD1 3.76Å; L26-I71 HydrophobicContact CD1-CG1 4.26Å; L26-I71 HydrophobicContact CD1-CG2 4.19Å
27F94.1Very high91.2Very high0 Ų060.5 Ų60.50%033%0.328CS..Hα-helixtrans-80.4-29.9-175.7-78-135.2000111.2L9 V11 I23 Q29 I30 G31 V51 F53 T62 M66 V78L9-F27 HydrophobicContact CD1-CE1 4.43Å; V11-F27 HydrophobicContact CG1-CZ 4.1Å; V11-F27 HydrophobicContact CG2-CE1 3.53Å; V11-F27 HydrophobicContact CG2-CZ 3.6Å; I23-F27 HydrophobicContact CD1-CE2 4.37Å; I23-F27 HydrophobicContact CG2-CD1 4.46Å; I23-F27 HydrophobicContact CG2-CD2 3.94Å; I23-F27 HydrophobicContact CG2-CE2 4.09Å; I23-F27 HydrophobicContact CG2-CG 4.17Å; I23-F27 HydrophobicContact CG2-CZ 4.43Å; I23-F27 VanDerWaalsContact O-CB 3.28Å; I23-F27 WeakPolarHBondContact O-CB 3.32Å; I23-F27 VanDerWaalsContact O-CD2 3.28Å; I23-F27 WeakPolarHBondContact O-CD2 3.41Å; I23-F27 PolarHBondContact O-N 3.15Å; F27-Q29 PolarHBondContact O-N 2.87Å; F27-I30 PolarHBondContact O-N 2.81Å; F27-G31 PolarHBondContact O-N 2.73Å; F27-V51 HydrophobicContact CD1-CB 4.08Å; F27-V51 HydrophobicContact CD1-CG1 3.93Å; F27-V51 HydrophobicContact CD1-CG2 3.88Å; F27-V51 HydrophobicContact CE1-CB 4.42Å; F27-V51 HydrophobicContact CE1-CG2 4.03Å; F27-F53 HydrophobicContact CB-CZ 4.05Å; F27-F53 HydrophobicContact CD1-CE2 4.21Å; F27-F53 AromaticContact CD1-CZ 3.95Å; F27-F53 HydrophobicContact CD1-CZ 3.95Å; F27-F53 HydrophobicContact CG-CZ 4.47Å; F27-T62 HydrophobicContact CD1-CG2 3.4Å; F27-T62 HydrophobicContact CE1-CG2 3.39Å; F27-T62 HydrophobicContact CG-CG2 4.07Å; F27-T62 HydrophobicContact CZ-CG2 4.07Å; F27-M66 HydrophobicContact CD2-CE 4.33Å; F27-M66 HydrophobicContact CE2-CB 4.47Å; F27-M66 HydrophobicContact CE2-CE 3.93Å; F27-M66 HydrophobicContact CE2-CG 4.31Å; F27-M66 HydrophobicContact CZ-CB 4.38Å; F27-V78 HydrophobicContact CZ-CG2 4.18Å
28S93Very high91.2Very high60 Ų6056.5 Ų56.542%0.4231%0.306SS..Hα-helixtrans-66-19.7174.8-62.30000113.6L24 I30 G31L24-S28 WeakPolarHBondContact O-CB 3.44Å; L24-S28 PolarHBondContact O-N 2.84Å; L24-S28 PolarHBondContact O-OG 3.35Å; S28-I30 PolarHBondContact O-N 2.68Å; S28-G31 WeakPolarHBondContact CA-O 3.42Å
29Q93.4Very high90.9Very high148 Ų14858.5 Ų58.569%0.69232%0.316SS*.THydrogen-bonded Turntrans-65.6-22.8171.4-65.1175.617.200112.9F27F27-Q29 PolarHBondContact O-N 2.87Å
30I94.5Very high90.4Very high49 Ų4959.3 Ų59.325%0.25132%0.321SS..THydrogen-bonded Turntrans-96.8-32.1-178.9-54.8178.2000110.9F27 S28 H58 A61 T62 A65 M66F27-I30 PolarHBondContact O-N 2.81Å; S28-I30 PolarHBondContact O-N 2.68Å; I30-H58 PolarHBondContact O-CD2 2.81Å; I30-A61 HydrophobicContact CG2-CB 3.77Å; I30-T62 HydrophobicContact CD1-CG2 4.24Å; I30-T62 WeakPolarHBondContact CG2-OG1 3.42Å; I30-A65 HydrophobicContact CD1-CB 3.82Å; I30-M66 HydrophobicContact CD1-CG 3.76Å; I30-M66 HydrophobicContact CD1-SD 4.37Å
31G92.1Very high89.4Confident7 Ų758.3 Ų58.37%0.07232%0.318CS..SBendtrans174.4165.2171.200000112F27 S28 C33 F53F27-G31 PolarHBondContact O-N 2.73Å; S28-G31 WeakPolarHBondContact CA-O 3.42Å; G31-C33 PolarHBondContact O-N 2.75Å; G31-F53 WeakPolarHBondContact O-CE1 3.45Å
32P91.8Very high88.2Confident66 Ų6662 Ų6243%0.42933%0.334SS..  trans-63.4123.2-173.126.2-35.5000112Y54P32-Y54 HydrophobicContact CB-CD2 3.87Å; P32-Y54 HydrophobicContact CB-CE2 4.34Å; P32-Y54 HydrophobicContact CG-CD2 4.16Å; P32-Y54 WeakPolarHBondContact O-CD2 3.22Å; P32-Y54 PolarHBondContact O-N 3.13Å
33C91Very high86.6Confident21 Ų2163.7 Ų63.714%0.14235%0.354CS..EExtended strand (participates in β ladder)trans-79131.9170.2-560000109.9L24 G31 V51 E52L24-C33 HydrophobicContact CD2-CB 3.74Å; G31-C33 PolarHBondContact O-N 2.75Å; C33-V51 HydrophobicContact CB-CG1 4.26Å; C33-E52 CarbonylContact C-O 3.59Å
34K88.3Confident85.1Confident111 Ų11165.9 Ų65.948%0.48338%0.377SS..EExtended strand (participates in β ladder)trans-84.7-39.3173173.3-179.2159.2-157.50111.5E52 Y54K34-E52 HydrophobicContact CB-CG 4.41Å; K34-E52 HydrophobicContact CD-CG 4.26Å; K34-E52 WeakPolarHBondContact CD-OE2 3.39Å; K34-E52 WeakPolarHBondContact CE-OE1 3.32Å; K34-E52 VanDerWaalsContact CE-OE2 3.24Å; K34-E52 WeakPolarHBondContact CE-OE2 3.15Å; K34-E52 PolarHBondContact N-O 3.45Å; K34-E52 VanDerWaalsContact NZ-CD 3.31Å; K34-E52 IonicContact NZ-OE1 3.3Å; K34-E52 PolarHBondContact NZ-OE1 2.9Å; K34-E52 IonicContact NZ-OE2 3.89Å; K34-E52 PolarHBondContact NZ-OE2 2.97Å; K34-Y54 HydrophobicContact CB-CD1 4.24Å; K34-Y54 HydrophobicContact CB-CD2 3.91Å; K34-Y54 HydrophobicContact CB-CE1 4.11Å; K34-Y54 HydrophobicContact CB-CE2 3.78Å; K34-Y54 HydrophobicContact CB-CG 4.15Å; K34-Y54 HydrophobicContact CD-CE1 4.41Å; K34-Y54 HydrophobicContact CG-CE1 4.11Å
35S85.1Confident84.4Confident53 Ų5369.3 Ų69.337%0.37139%0.391SS..EExtended strand (participates in β ladder)trans-150.7148.8173.265.50000111V51 E52S35-V51 CarbonylContact O-C 3.57Å; S35-V51 WeakPolarHBondContact O-CA 3.38Å; S35-E52 PolarHBondContact N-O 2.9Å; S35-E52 PolarHBondContact O-N 3.19Å; S35-E52 VanDerWaalsContact OG-CB 3.27Å; S35-E52 WeakPolarHBondContact OG-CB 3.26Å; S35-E52 PolarHBondContact OG-OE2 3.25Å; S35-E52 VanDerWaalsContact OG-OE2 3.13Å
36C89Confident83.9Confident16 Ų1666.7 Ų66.711%0.10838%0.381CS..EExtended strand (participates in β ladder)trans-123.2147.6160.1-171.50000107.1E20 L24 F50E20-C36 HydrophobicContact CG-CB 3.89Å; E20-C36 VanDerWaalsContact CG-SG 3.59Å; L24-C36 HydrophobicContact CD1-CB 4.01Å; L24-C36 HydrophobicContact CD2-CB 3.51Å; L24-C36 HydrophobicContact CG-CB 3.56Å; C36-F50 CarbonylContact C-O 3.27Å; C36-F50 VanDerWaalsContact CA-O 3.31Å; C36-F50 WeakPolarHBondContact CA-O 3.39Å
37K88.4Confident83.6Confident130 Ų13064.8 Ų64.857%0.56537%0.371SS*.EExtended strand (participates in β ladder)trans-142.1107.7172.2-175.9178-174.8178.80109.6I39 C49 F50K37-I39 HydrophobicContact CD-CD1 4.3Å; K37-I39 HydrophobicContact CG-CD1 4.24Å; K37-C49 CarbonylContact O-C 3.59Å; K37-C49 WeakPolarHBondContact O-CA 3.41Å; K37-C49 VanDerWaalsContact O-CB 3.25Å; K37-C49 WeakPolarHBondContact O-CB 3.38Å; K37-F50 PolarHBondContact N-O 3.33Å; K37-F50 PolarHBondContact O-N 3.47Å
38M87.5Confident83.5Confident33 Ų3368.2 Ų68.216%0.16339%0.385CS..EExtended strand (participates in β ladder)trans-80.4137.3173.6-172.1164-7900111.8L14 V18 T19 E20 I23 V40 C49L14-M38 HydrophobicContact CD1-CE 3.9Å; V18-M38 HydrophobicContact CG1-CE 4.1Å; V18-M38 WeakPolarHBondContact O-CE 3.14Å; T19-M38 VanDerWaalsContact C-CE 3.4Å; E20-M38 HydrophobicContact CB-CB 4.08Å; E20-M38 HydrophobicContact CG-CB 4.29Å; E20-M38 PolarHBondContact OE2-N 2.9Å; I23-M38 HydrophobicContact CG1-CE 4.19Å; M38-V40 HydrophobicContact CG-CG2 4.09Å; M38-V40 HydrophobicContact SD-CG2 4.3Å; M38-C49 HydrophobicContact CB-CB 4.23Å
39I84.3Confident83.5Confident48 Ų4865.3 Ų65.325%0.24637%0.365CS..EExtended strand (participates in β ladder)trans-119.4111.8171.8-51.9-64000107.5K37 P47 Y48K37-I39 HydrophobicContact CD-CD1 4.3Å; K37-I39 HydrophobicContact CG-CD1 4.24Å; I39-P47 WeakPolarHBondContact O-CA 3.36Å; I39-Y48 HydrophobicContact CB-CD1 4.39Å; I39-Y48 HydrophobicContact CB-CD2 4.18Å; I39-Y48 HydrophobicContact CB-CE1 3.99Å; I39-Y48 HydrophobicContact CB-CE2 3.77Å; I39-Y48 HydrophobicContact CB-CG 4.49Å; I39-Y48 HydrophobicContact CG1-CD2 4.32Å; I39-Y48 HydrophobicContact CG1-CE2 3.74Å; I39-Y48 HydrophobicContact CG2-CE1 3.85Å; I39-Y48 HydrophobicContact CG2-CE2 4.25Å; I39-Y48 PolarHBondContact N-O 2.89Å; I39-Y48 PolarHBondContact O-N 2.94Å; I39-Y48 VanDerWaalsContact O-N 3.12Å; I39-Y48 VanDerWaalsContact O-O 3.12Å
40V81.1Confident83.5Confident94 Ų9461.2 Ų61.257%0.5735%0.345SS*.  trans-101.5113.3170.6-175.60000107M38 P47M38-V40 HydrophobicContact CG-CG2 4.09Å; M38-V40 HydrophobicContact SD-CG2 4.3Å; V40-P47 HydrophobicContact CG1-CG 4.43Å; V40-P47 HydrophobicContact CG2-CB 4.35Å
41D68.3Low83.4Confident54 Ų5458.9 Ų58.929%0.28933%0.333SS..  trans-82.9126.5177.4-168.4-11.4000110.3A43 H45D41-A43 VanDerWaalsContact C-N 3.26Å; D41-A43 PolarHBondContact O-N 3.33Å; D41-A43 VanDerWaalsContact OD1-CB 3.27Å; D41-A43 WeakPolarHBondContact OD1-CB 3.32Å; D41-A43 PolarHBondContact OD1-N 2.89Å; D41-H45 HydrophobicContact CB-CB 4.05Å; D41-H45 IonicContact OD2-CD2 3.87Å; D41-H45 PolarHBondContact OD2-CD2 2.91Å; D41-H45 VanDerWaalsContact OD2-CD2 3.29Å; D41-H45 IonicContact OD2-CG 2.77Å
42T65Low83.4Confident144 Ų14460.4 Ų60.488%0.88334%0.338SS*.THydrogen-bonded Turntrans-73.9-17.6176.451.20000112.6G44T42-G44 PolarHBondContact O-N 2.91Å; T42-G44 VanDerWaalsContact O-N 3.16Å
43A58.9Low83.5Confident77 Ų7757.2 Ų57.264%0.63632%0.317SS*.THydrogen-bonded Turntrans-778.8-177.700000115.1D41D41-A43 VanDerWaalsContact C-N 3.26Å; D41-A43 PolarHBondContact O-N 3.33Å; D41-A43 VanDerWaalsContact OD1-CB 3.27Å; D41-A43 WeakPolarHBondContact OD1-CB 3.32Å; D41-A43 PolarHBondContact OD1-N 2.89Å
44G63.6Low83.4Confident47 Ų4762.9 Ų62.949%0.48534%0.337SS..SBendtrans103.1-14.5175.200000115R16 T42R16-G44 VanDerWaalsContact NH2-C 3.32Å; R16-G44 PolarHBondContact NH2-O 2.77Å; T42-G44 PolarHBondContact O-N 2.91Å; T42-G44 VanDerWaalsContact O-N 3.16Å
45H76.8Confident83.5Confident125 Ų12561.1 Ų61.158%0.57933%0.33SS*.PPolyproline II helixtrans-64.7160179.2-69.1-65.2000113.4D41D41-H45 HydrophobicContact CB-CB 4.05Å; D41-H45 IonicContact OD2-CD2 3.87Å; D41-H45 PolarHBondContact OD2-CD2 2.91Å; D41-H45 VanDerWaalsContact OD2-CD2 3.29Å; D41-H45 IonicContact OD2-CG 2.77Å
46D82.8Confident83.8Confident74 Ų7460.9 Ų60.940%0.39632%0.323SS..PPolyproline II helixtrans-70138.2175.2-73-42.7000111.3N13 K74N13-D46 PolarHBondContact OD1-OD2 3.35Å; D46-K74 IonicContact OD1-NZ 3.32Å; D46-K74 PolarHBondContact OD1-NZ 3.24Å; D46-K74 IonicContact OD2-NZ 2.71Å; D46-K74 PolarHBondContact OD2-NZ 2.97Å
47P87.1Confident83.9Confident3 Ų367.7 Ų67.72%0.01935%0.347CS..PPolyproline II helixtrans-59.7151.4174.5-19.530.2000112.1L14 R16 I39 V40L14-P47 HydrophobicContact CB-CB 4.24Å; L14-P47 WeakPolarHBondContact CB-O 3.44Å; L14-P47 PolarHBondContact N-O 3.47Å; R16-P47 HydrophobicContact CG-CG 4.09Å; I39-P47 WeakPolarHBondContact O-CA 3.36Å; V40-P47 HydrophobicContact CG1-CG 4.43Å; V40-P47 HydrophobicContact CG2-CB 4.35Å
48Y91.8Very high84.2Confident72 Ų7262.9 Ų62.928%0.28233%0.326SS..EExtended strand (participates in β ladder)trans-143.4161.917363.6-87.9000109.6Y10 V11 I39 F50Y10-Y48 HydrophobicContact CD2-CD2 4.08Å; Y10-Y48 AromaticContact CE2-CD2 3.49Å; Y10-Y48 HydrophobicContact CE2-CD2 3.49Å; Y10-Y48 VanDerWaalsContact CE2-CD2 3.49Å; Y10-Y48 HydrophobicContact CE2-CE2 4.22Å; Y10-Y48 AromaticContact CE2-CG 3.73Å; Y10-Y48 HydrophobicContact CE2-CG 3.73Å; V11-Y48 CarbonylContact O-C 3.45Å; V11-Y48 WeakPolarHBondContact O-CA 3.28Å; V11-Y48 WeakPolarHBondContact O-CB 3.45Å; I39-Y48 HydrophobicContact CB-CD1 4.39Å; I39-Y48 HydrophobicContact CB-CD2 4.18Å; I39-Y48 HydrophobicContact CB-CE1 3.99Å; I39-Y48 HydrophobicContact CB-CE2 3.77Å; I39-Y48 HydrophobicContact CB-CG 4.49Å; I39-Y48 HydrophobicContact CG1-CD2 4.32Å; I39-Y48 HydrophobicContact CG1-CE2 3.74Å; I39-Y48 HydrophobicContact CG2-CE1 3.85Å; I39-Y48 HydrophobicContact CG2-CE2 4.25Å; I39-Y48 PolarHBondContact N-O 2.89Å; I39-Y48 PolarHBondContact O-N 2.94Å; I39-Y48 VanDerWaalsContact O-N 3.12Å; I39-Y48 VanDerWaalsContact O-O 3.12Å; Y48-F50 HydrophobicContact CD2-CE2 4.21Å; Y48-F50 AromaticContact CE2-CE2 3.74Å; Y48-F50 HydrophobicContact CE2-CE2 3.74Å; Y48-F50 HydrophobicContact CE2-CZ 4.2Å
49C92.2Very high84.4Confident0 Ų061.3 Ų61.30%032%0.318CS..EExtended strand (participates in β ladder)trans-138162.8172.667.90000111.8V11 K37 M38V11-C49 PolarHBondContact N-O 3.32Å; V11-C49 PolarHBondContact O-N 3.34Å; K37-C49 CarbonylContact O-C 3.59Å; K37-C49 WeakPolarHBondContact O-CA 3.41Å; K37-C49 VanDerWaalsContact O-CB 3.25Å; K37-C49 WeakPolarHBondContact O-CB 3.38Å; M38-C49 HydrophobicContact CB-CB 4.23Å
50F93.3Very high84.8Confident61 Ų6161.8 Ų61.827%0.26832%0.324SS..EExtended strand (participates in β ladder)trans-108.8130.8167.1-65.6-78.4000109.3T8 L9 Y10 C36 K37 Y48 A81T8-F50 HydrophobicContact CG2-CB 4.3Å; L9-F50 CarbonylContact O-C 3.58Å; L9-F50 VanDerWaalsContact O-CA 3.25Å; L9-F50 WeakPolarHBondContact O-CA 3.47Å; Y10-F50 HydrophobicContact CD2-CD1 4.41Å; Y10-F50 AromaticContact CD2-CE1 3.78Å; Y10-F50 HydrophobicContact CD2-CE1 3.78Å; Y10-F50 HydrophobicContact CD2-CZ 4.04Å; Y10-F50 HydrophobicContact CG-CE1 4.4Å; C36-F50 CarbonylContact C-O 3.27Å; C36-F50 VanDerWaalsContact CA-O 3.31Å; C36-F50 WeakPolarHBondContact CA-O 3.39Å; K37-F50 PolarHBondContact N-O 3.33Å; K37-F50 PolarHBondContact O-N 3.47Å; Y48-F50 HydrophobicContact CD2-CE2 4.21Å; Y48-F50 AromaticContact CE2-CE2 3.74Å; Y48-F50 HydrophobicContact CE2-CE2 3.74Å; Y48-F50 HydrophobicContact CE2-CZ 4.2Å; F50-A81 HydrophobicContact CD1-CB 3.8Å; F50-A81 HydrophobicContact CE1-CB 4.04Å
51V93.6Very high85.4Confident0 Ų059.4 Ų59.40%031%0.314CS..EExtended strand (participates in β ladder)trans-120.4118.4177.7-171.70000109T8 L9 V11 I23 F27 C33 S35 F53T8-V51 CarbonylContact C-O 3.58Å; T8-V51 WeakPolarHBondContact CA-O 3.15Å; L9-V51 PolarHBondContact N-O 2.98Å; L9-V51 PolarHBondContact O-N 3.42Å; V11-V51 HydrophobicContact CG2-CG2 4.03Å; I23-V51 HydrophobicContact CG2-CG2 3.71Å; F27-V51 HydrophobicContact CD1-CB 4.08Å; F27-V51 HydrophobicContact CD1-CG1 3.93Å; F27-V51 HydrophobicContact CD1-CG2 3.88Å; F27-V51 HydrophobicContact CE1-CB 4.42Å; F27-V51 HydrophobicContact CE1-CG2 4.03Å; C33-V51 HydrophobicContact CB-CG1 4.26Å; S35-V51 CarbonylContact O-C 3.57Å; S35-V51 WeakPolarHBondContact O-CA 3.38Å; V51-F53 HydrophobicContact CB-CE2 4.47Å; V51-F53 HydrophobicContact CG1-CD2 4.39Å; V51-F53 HydrophobicContact CG1-CE2 3.88Å; V51-F53 HydrophobicContact CG1-CZ 4.25Å
52E91.8Very high86.6Confident39 Ų3956.9 Ų56.918%0.18230%0.3CS..EExtended strand (participates in β ladder)trans-99.4129.7174.1-169.6-172.9-168.900109.7T8 C33 K34 S35T8-E52 HydrophobicContact CG2-CB 4.39Å; C33-E52 CarbonylContact C-O 3.59Å; K34-E52 HydrophobicContact CB-CG 4.41Å; K34-E52 HydrophobicContact CD-CG 4.26Å; K34-E52 WeakPolarHBondContact CD-OE2 3.39Å; K34-E52 WeakPolarHBondContact CE-OE1 3.32Å; K34-E52 VanDerWaalsContact CE-OE2 3.24Å; K34-E52 WeakPolarHBondContact CE-OE2 3.15Å; K34-E52 PolarHBondContact N-O 3.45Å; K34-E52 VanDerWaalsContact NZ-CD 3.31Å; K34-E52 IonicContact NZ-OE1 3.3Å; K34-E52 PolarHBondContact NZ-OE1 2.9Å; K34-E52 IonicContact NZ-OE2 3.89Å; K34-E52 PolarHBondContact NZ-OE2 2.97Å; S35-E52 PolarHBondContact N-O 2.9Å; S35-E52 PolarHBondContact O-N 3.19Å; S35-E52 VanDerWaalsContact OG-CB 3.27Å; S35-E52 WeakPolarHBondContact OG-CB 3.26Å; S35-E52 PolarHBondContact OG-OE2 3.25Å; S35-E52 VanDerWaalsContact OG-OE2 3.13Å
53F93.6Very high88Confident0 Ų051.5 Ų51.50%027%0.266CS..EExtended strand (participates in β ladder)trans-97.1157.2172-71.3-94.1000111K7 L9 F27 G31 V51 E55 H58 A59 T62K7-F53 WeakPolarHBondContact CB-O 3.35Å; K7-F53 PolarHBondContact O-N 2.98Å; L9-F53 HydrophobicContact CD1-CD2 4.41Å; L9-F53 HydrophobicContact CD1-CE2 3.74Å; L9-F53 HydrophobicContact CG-CD2 4.5Å; L9-F53 HydrophobicContact CG-CE2 4.23Å; F27-F53 HydrophobicContact CB-CZ 4.05Å; F27-F53 HydrophobicContact CD1-CE2 4.21Å; F27-F53 AromaticContact CD1-CZ 3.95Å; F27-F53 HydrophobicContact CD1-CZ 3.95Å; F27-F53 HydrophobicContact CG-CZ 4.47Å; G31-F53 WeakPolarHBondContact O-CE1 3.45Å; V51-F53 HydrophobicContact CB-CE2 4.47Å; V51-F53 HydrophobicContact CG1-CD2 4.39Å; V51-F53 HydrophobicContact CG1-CE2 3.88Å; V51-F53 HydrophobicContact CG1-CZ 4.25Å; F53-E55 PolarHBondContact O-N 3Å; F53-H58 HydrophobicContact CB-CB 4.22Å; F53-H58 HydrophobicContact CD1-CB 3.48Å; F53-H58 VanDerWaalsContact CD1-CB 3.48Å; F53-H58 HydrophobicContact CE1-CB 4.06Å; F53-H58 HydrophobicContact CG-CB 4Å; F53-A59 HydrophobicContact CB-CB 4.31Å; F53-A59 HydrophobicContact CD2-CB 3.71Å; F53-A59 HydrophobicContact CE2-CB 4.42Å; F53-A59 HydrophobicContact CG-CB 4.23Å; F53-T62 HydrophobicContact CE2-CG2 4.16Å; F53-T62 HydrophobicContact CZ-CG2 3.9Å; F53-T62 WeakPolarHBondContact CZ-OG1 3.48Å
54Y89.1Confident89.5Confident139 Ų13952.1 Ų52.155%0.54527%0.271SS..SBendtrans-64.8-27.3169.6-74.7-84.5000112.7P32 K34P32-Y54 HydrophobicContact CB-CD2 3.87Å; P32-Y54 HydrophobicContact CB-CE2 4.34Å; P32-Y54 HydrophobicContact CG-CD2 4.16Å; P32-Y54 WeakPolarHBondContact O-CD2 3.22Å; P32-Y54 PolarHBondContact O-N 3.13Å; K34-Y54 HydrophobicContact CB-CD1 4.24Å; K34-Y54 HydrophobicContact CB-CD2 3.91Å; K34-Y54 HydrophobicContact CB-CE1 4.11Å; K34-Y54 HydrophobicContact CB-CE2 3.78Å; K34-Y54 HydrophobicContact CB-CG 4.15Å; K34-Y54 HydrophobicContact CD-CE1 4.41Å; K34-Y54 HydrophobicContact CG-CE1 4.11Å
55E90.8Very high90.9Very high74 Ų7451.6 Ų51.635%0.34626%0.262SS..SBendtrans-136.1141.8-174.9-55.5-175-118.400112.6F53 R57 H58 A59F53-E55 PolarHBondContact O-N 3Å; E55-R57 VanDerWaalsContact C-N 3.28Å; E55-R57 HydrophobicContact CB-CG 4.06Å; E55-R57 VanDerWaalsContact CD-NH2 3.32Å; E55-R57 PolarHBondContact O-N 2.85Å; E55-R57 IonicContact OE1-CZ 3.81Å; E55-R57 IonicContact OE1-NE 2.77Å; E55-R57 IonicContact OE1-NH2 3.57Å; E55-R57 PolarHBondContact OE1-NH2 2.82Å; E55-R57 IonicContact OE2-CZ 3.29Å; E55-R57 VanDerWaalsContact OE2-CZ 3.26Å; E55-R57 IonicContact OE2-NE 3.08Å; E55-R57 PolarHBondContact OE2-NE 2.92Å; E55-R57 IonicContact OE2-NH2 3.26Å; E55-R57 PolarHBondContact OE2-NH2 3.23Å; E55-R57 VanDerWaalsContact OE2-NH2 3.08Å; E55-H58 PolarHBondContact O-N 2.99Å; E55-H58 IonicContact OE1-CE1 2.69Å; E55-H58 PolarHBondContact OE1-CE1 3.22Å; E55-H58 VanDerWaalsContact OE1-CE1 3.23Å; E55-H58 IonicContact OE1-ND1 3.51Å; E55-A59 PolarHBondContact O-N 3Å
56H90.1Very high91.7Very high49 Ų4946.1 Ų46.123%0.22724%0.237CC..Hα-helixtrans-57-38177.917569.2000112.9Q5 P6 H58 A59 T60 W80Q5-H56 HydrophobicContact CB-CB 3.82Å; Q5-H56 PolarHBondContact OE1-CD2 2.81Å; P6-H56 PolarHBondContact O-ND1 2.84Å; H56-H58 VanDerWaalsContact C-N 3.3Å; H56-H58 PolarHBondContact O-N 2.69Å; H56-A59 PolarHBondContact O-N 3.08Å; H56-A59 VanDerWaalsContact O-N 3.17Å; H56-T60 PolarHBondContact CE1-OG1 3.33Å; H56-T60 VanDerWaalsContact CE1-OG1 3.27Å; H56-T60 PolarHBondContact NE2-OG1 2.77Å; H56-T60 PolarHBondContact O-N 3.24Å; H56-T60 PolarHBondContact O-OG1 2.81Å; H56-T60 VanDerWaalsContact O-OG1 3.13Å; H56-W80 AromaticContact CE1-CH2 3.31Å; H56-W80 WeakPolarHBondContact CE1-CH2 3.14Å; H56-W80 AromaticContact CE1-CZ2 3.49Å; H56-W80 VanDerWaalsContact CE1-CZ2 3.49Å; H56-W80 WeakPolarHBondContact CE1-CZ2 3.45Å; H56-W80 AromaticContact ND1-CH2 3.4Å; H56-W80 WeakPolarHBondContact ND1-CH2 3.47Å; H56-W80 AromaticContact ND1-CZ3 3.98Å
57R92.5Very high92.1Very high158 Ų15846.3 Ų46.360%0.59624%0.238SC*.Hα-helixtrans-57.2-39.9179.361.8174.5170.3158.42.8113.2E55 A61E55-R57 VanDerWaalsContact C-N 3.28Å; E55-R57 HydrophobicContact CB-CG 4.06Å; E55-R57 VanDerWaalsContact CD-NH2 3.32Å; E55-R57 PolarHBondContact O-N 2.85Å; E55-R57 IonicContact OE1-CZ 3.81Å; E55-R57 IonicContact OE1-NE 2.77Å; E55-R57 IonicContact OE1-NH2 3.57Å; E55-R57 PolarHBondContact OE1-NH2 2.82Å; E55-R57 IonicContact OE2-CZ 3.29Å; E55-R57 VanDerWaalsContact OE2-CZ 3.26Å; E55-R57 IonicContact OE2-NE 3.08Å; E55-R57 PolarHBondContact OE2-NE 2.92Å; E55-R57 IonicContact OE2-NH2 3.26Å; E55-R57 PolarHBondContact OE2-NH2 3.23Å; E55-R57 VanDerWaalsContact OE2-NH2 3.08Å; R57-A61 WeakPolarHBondContact O-CB 3.5Å; R57-A61 PolarHBondContact O-N 3.24Å
58H94.8Very high92.2Very high29 Ų2948.2 Ų48.213%0.13426%0.258CS..Hα-helixtrans-71.9-38.4179.5-57.7131.4000111.3I30 F53 E55 H56 T62I30-H58 PolarHBondContact O-CD2 2.81Å; F53-H58 HydrophobicContact CB-CB 4.22Å; F53-H58 HydrophobicContact CD1-CB 3.48Å; F53-H58 VanDerWaalsContact CD1-CB 3.48Å; F53-H58 HydrophobicContact CE1-CB 4.06Å; F53-H58 HydrophobicContact CG-CB 4Å; E55-H58 PolarHBondContact O-N 2.99Å; E55-H58 IonicContact OE1-CE1 2.69Å; E55-H58 PolarHBondContact OE1-CE1 3.22Å; E55-H58 VanDerWaalsContact OE1-CE1 3.23Å; E55-H58 IonicContact OE1-ND1 3.51Å; H56-H58 VanDerWaalsContact C-N 3.3Å; H56-H58 PolarHBondContact O-N 2.69Å; H58-T62 VanDerWaalsContact O-CB 3.27Å; H58-T62 WeakPolarHBondContact O-CB 3.28Å; H58-T62 PolarHBondContact O-N 3.35Å; H58-T62 PolarHBondContact O-OG1 3.23Å
59A91.1Very high92.3Very high0 Ų051.8 Ų51.80%027%0.271CS..Hα-helixtrans-63.6-44.7174.200000111.7L9 F53 E55 H56 T62 I63 W80L9-A59 HydrophobicContact CD1-CB 4.45Å; L9-A59 HydrophobicContact CD2-CB 3.96Å; L9-A59 HydrophobicContact CG-CB 4.16Å; F53-A59 HydrophobicContact CB-CB 4.31Å; F53-A59 HydrophobicContact CD2-CB 3.71Å; F53-A59 HydrophobicContact CE2-CB 4.42Å; F53-A59 HydrophobicContact CG-CB 4.23Å; E55-A59 PolarHBondContact O-N 3Å; H56-A59 PolarHBondContact O-N 3.08Å; H56-A59 VanDerWaalsContact O-N 3.17Å; A59-T62 PolarHBondContact O-N 2.8Å; A59-I63 PolarHBondContact O-N 2.89Å; A59-W80 HydrophobicContact CB-CH2 3.8Å; A59-W80 HydrophobicContact CB-CZ3 3.57Å
60T91.5Very high92.3Very high59 Ų5958.5 Ų58.536%0.36230%0.3SS..Hα-helixtrans-62-47.9176.2-58.50000112H56 T62 I63 A64 W80H56-T60 PolarHBondContact CE1-OG1 3.33Å; H56-T60 VanDerWaalsContact CE1-OG1 3.27Å; H56-T60 PolarHBondContact NE2-OG1 2.77Å; H56-T60 PolarHBondContact O-N 3.24Å; H56-T60 PolarHBondContact O-OG1 2.81Å; H56-T60 VanDerWaalsContact O-OG1 3.13Å; T60-T62 VanDerWaalsContact C-N 3.27Å; T60-T62 PolarHBondContact O-N 2.85Å; T60-I63 PolarHBondContact O-N 3.48Å; T60-A64 PolarHBondContact O-N 2.89Å; T60-W80 VanDerWaalsContact OG1-CH2 3.24Å; T60-W80 WeakPolarHBondContact OG1-CH2 3.5Å; T60-W80 VanDerWaalsContact OG1-CZ2 3.26Å; T60-W80 WeakPolarHBondContact OG1-CZ2 3.05Å
61A94.3Very high92.1Very high44 Ų4456.1 Ų56.136%0.36429%0.29SS..Hα-helixtrans-60.5-37.7176.400000112I30 R57 A64 A65I30-A61 HydrophobicContact CG2-CB 3.77Å; R57-A61 WeakPolarHBondContact O-CB 3.5Å; R57-A61 PolarHBondContact O-N 3.24Å; A61-A64 PolarHBondContact O-N 2.97Å; A61-A65 VanDerWaalsContact O-CB 3.3Å; A61-A65 WeakPolarHBondContact O-CB 3.34Å; A61-A65 PolarHBondContact O-N 2.99Å
62T94.8Very high91.9Very high0 Ų060.6 Ų60.60%031%0.314CS..Hα-helixtrans-66.9-41178.5-62.30000112.6L9 F27 I30 F53 H58 A59 T60 A64 A65 M66L9-T62 HydrophobicContact CD1-CG2 3.58Å; F27-T62 HydrophobicContact CD1-CG2 3.4Å; F27-T62 HydrophobicContact CE1-CG2 3.39Å; F27-T62 HydrophobicContact CG-CG2 4.07Å; F27-T62 HydrophobicContact CZ-CG2 4.07Å; I30-T62 HydrophobicContact CD1-CG2 4.24Å; I30-T62 WeakPolarHBondContact CG2-OG1 3.42Å; F53-T62 HydrophobicContact CE2-CG2 4.16Å; F53-T62 HydrophobicContact CZ-CG2 3.9Å; F53-T62 WeakPolarHBondContact CZ-OG1 3.48Å; H58-T62 VanDerWaalsContact O-CB 3.27Å; H58-T62 WeakPolarHBondContact O-CB 3.28Å; H58-T62 PolarHBondContact O-N 3.35Å; H58-T62 PolarHBondContact O-OG1 3.23Å; A59-T62 PolarHBondContact O-N 2.8Å; T60-T62 VanDerWaalsContact C-N 3.27Å; T60-T62 PolarHBondContact O-N 2.85Å; T62-A64 VanDerWaalsContact C-N 3.33Å; T62-A64 PolarHBondContact O-N 3.32Å; T62-A65 PolarHBondContact O-N 3Å; T62-M66 HydrophobicContact CG2-CB 4.44Å; T62-M66 HydrophobicContact CG2-CG 4.18Å; T62-M66 VanDerWaalsContact O-CB 3.3Å; T62-M66 WeakPolarHBondContact O-CB 3.14Å; T62-M66 PolarHBondContact O-N 3.19Å
63I92.8Very high91.7Very high32 Ų3261.9 Ų61.916%0.16434%0.337CS..Hα-helixtrans-57-50.3172.1-65.6165.7000109.8L9 A59 T60 A65 N67 V78 W80L9-I63 HydrophobicContact CD1-CG1 4.08Å; L9-I63 HydrophobicContact CD2-CD1 3.55Å; L9-I63 HydrophobicContact CD2-CG1 3.55Å; L9-I63 HydrophobicContact CG-CG1 4.45Å; A59-I63 PolarHBondContact O-N 2.89Å; T60-I63 PolarHBondContact O-N 3.48Å; I63-A65 VanDerWaalsContact C-N 3.34Å; I63-A65 PolarHBondContact O-N 3.34Å; I63-N67 WeakPolarHBondContact O-CB 3.45Å; I63-N67 PolarHBondContact O-N 3.32Å; I63-N67 VanDerWaalsContact O-N 3.12Å; I63-V78 HydrophobicContact CG1-CG1 4.01Å; I63-W80 HydrophobicContact CD1-CD2 3.48Å; I63-W80 VanDerWaalsContact CD1-CD2 3.48Å; I63-W80 HydrophobicContact CD1-CE3 3.96Å; I63-W80 HydrophobicContact CD1-CG 3.89Å; I63-W80 HydrophobicContact CD1-CH2 4.02Å; I63-W80 HydrophobicContact CD1-CZ2 3.58Å; I63-W80 HydrophobicContact CD1-CZ3 4.2Å
64A91.8Very high91.4Very high89 Ų8964.2 Ų64.274%0.73635%0.347SS*.Hα-helixtrans-64.4-36-177.300000113.2T60 A61 T62T60-A64 PolarHBondContact O-N 2.89Å; A61-A64 PolarHBondContact O-N 2.97Å; T62-A64 VanDerWaalsContact C-N 3.33Å; T62-A64 PolarHBondContact O-N 3.32Å
65A92Very high91.6Very high36 Ų3662.2 Ų62.230%0.29834%0.343SS..Hα-helixtrans-85.3-34-176.900000114.1I30 A61 T62 I63 R69I30-A65 HydrophobicContact CD1-CB 3.82Å; A61-A65 VanDerWaalsContact O-CB 3.3Å; A61-A65 WeakPolarHBondContact O-CB 3.34Å; A61-A65 PolarHBondContact O-N 2.99Å; T62-A65 PolarHBondContact O-N 3Å; I63-A65 VanDerWaalsContact C-N 3.34Å; I63-A65 PolarHBondContact O-N 3.34Å; A65-R69 WeakPolarHBondContact O-CD 3.34Å; A65-R69 WeakPolarHBondContact O-CG 3.02Å; A65-R69 PolarHBondContact O-NE 2.93Å
66M93.5Very high91.7Very high11 Ų1158.8 Ų58.85%0.05433%0.327CS..Hα-helixtrans-109.6-19.5-167.8-61.8-62.6-73.900114.5L26 F27 I30 T62 G68 R69 I71 V76 V78L26-M66 HydrophobicContact CB-CE 4.21Å; F27-M66 HydrophobicContact CD2-CE 4.33Å; F27-M66 HydrophobicContact CE2-CB 4.47Å; F27-M66 HydrophobicContact CE2-CE 3.93Å; F27-M66 HydrophobicContact CE2-CG 4.31Å; F27-M66 HydrophobicContact CZ-CB 4.38Å; I30-M66 HydrophobicContact CD1-CG 3.76Å; I30-M66 HydrophobicContact CD1-SD 4.37Å; T62-M66 HydrophobicContact CG2-CB 4.44Å; T62-M66 HydrophobicContact CG2-CG 4.18Å; T62-M66 VanDerWaalsContact O-CB 3.3Å; T62-M66 WeakPolarHBondContact O-CB 3.14Å; T62-M66 PolarHBondContact O-N 3.19Å; M66-G68 PolarHBondContact O-N 2.77Å; M66-R69 WeakPolarHBondContact O-CB 3.39Å; M66-R69 PolarHBondContact O-N 2.9Å; M66-R69 VanDerWaalsContact O-N 3.11Å; M66-I71 HydrophobicContact CE-CD1 4Å; M66-V76 WeakPolarHBondContact O-CG2 3.48Å; M66-V78 HydrophobicContact CB-CG2 3.94Å
67N92.7Very high91.8Very high77 Ų7762.4 Ų62.441%0.41234%0.342SS..THydrogen-bonded Turntrans-64.4125.9176.9-168.329.6000110.9I63 R69 K77 V78I63-N67 WeakPolarHBondContact O-CB 3.45Å; I63-N67 PolarHBondContact O-N 3.32Å; I63-N67 VanDerWaalsContact O-N 3.12Å; N67-R69 VanDerWaalsContact C-N 3.3Å; N67-R69 PolarHBondContact O-N 3.48Å; N67-K77 WeakPolarHBondContact OD1-CA 3.45Å; N67-V78 HydrophobicContact CB-CB 4.02Å; N67-V78 PolarHBondContact OD1-N 3.07Å; N67-V78 PolarHBondContact OD1-O 2.93Å
68G89.1Confident91.8Very high43 Ų4354.9 Ų54.944%0.44331%0.313SS..THydrogen-bonded Turntrans80.7-3.2-175.500000115.2M66 V76M66-G68 PolarHBondContact O-N 2.77Å; G68-V76 PolarHBondContact N-O 2.85Å
69R92.4Very high91.8Very high147 Ų14757.3 Ų57.356%0.55533%0.327SS*.  trans-72147.6173.8-78.3-166.6169.5-179.3-2.6111.6A65 M66 N67 E75 V76A65-R69 WeakPolarHBondContact O-CD 3.34Å; A65-R69 WeakPolarHBondContact O-CG 3.02Å; A65-R69 PolarHBondContact O-NE 2.93Å; M66-R69 WeakPolarHBondContact O-CB 3.39Å; M66-R69 PolarHBondContact O-N 2.9Å; M66-R69 VanDerWaalsContact O-N 3.11Å; N67-R69 VanDerWaalsContact C-N 3.3Å; N67-R69 PolarHBondContact O-N 3.48Å; R69-E75 WeakPolarHBondContact O-CA 3.29Å; R69-V76 PolarHBondContact O-N 2.94Å
70K92.2Very high91.8Very high141 Ų14161.8 Ų61.861%0.61334%0.344SS*.EExtended strand (participates in β ladder)trans-83.7117.7174.9-69.2-178.3-179.1179.50110.8K74 E75K70-K74 CarbonylContact C-O 3.46Å; K70-K74 VanDerWaalsContact CA-O 3.31Å; K70-K74 WeakPolarHBondContact CA-O 3.31Å; K70-E75 HydrophobicContact CD-CG 4.19Å; K70-E75 VanDerWaalsContact CE-CG 3.43Å; K70-E75 WeakPolarHBondContact CE-OE1 3.31Å; K70-E75 HydrophobicContact CG-CG 3.55Å; K70-E75 IonicContact NZ-OE1 2.64Å; K70-E75 PolarHBondContact NZ-OE1 3.46Å
71I90.8Very high91.5Very high11 Ų1159.3 Ų59.36%0.05633%0.33CS..EExtended strand (participates in β ladder)trans-110.5122.1167.6-56.7-175.1000106.7V18 L22 I23 L26 M66 G73 K74 V76V18-I71 HydrophobicContact CG1-CG2 4.45Å; V18-I71 HydrophobicContact CG2-CG2 3.93Å; L22-I71 HydrophobicContact CD2-CG2 4.08Å; I23-I71 HydrophobicContact CD1-CD1 4Å; L26-I71 HydrophobicContact CD1-CD1 3.76Å; L26-I71 HydrophobicContact CD1-CG1 4.26Å; L26-I71 HydrophobicContact CD1-CG2 4.19Å; M66-I71 HydrophobicContact CE-CD1 4Å; I71-G73 VanDerWaalsContact C-N 3.27Å; I71-G73 PolarHBondContact O-N 3.39Å; I71-K74 PolarHBondContact N-O 2.73Å; I71-K74 PolarHBondContact O-N 3.01Å; I71-V76 HydrophobicContact CB-CG1 3.8Å; I71-V76 HydrophobicContact CD1-CG1 3.79Å; I71-V76 HydrophobicContact CD1-CG2 4.01Å; I71-V76 HydrophobicContact CG1-CG1 3.74Å; I71-V76 HydrophobicContact CG1-CG2 4.26Å
72L89.1Confident90.6Very high95 Ų9562.4 Ų62.450%0.49735%0.345SS..THydrogen-bonded Turntrans48.547.7-174.2-55.2-177.9000112.6D17 V18 L22 K74D17-L72 HydrophobicContact CB-CD1 3.77Å; D17-L72 WeakPolarHBondContact O-CD1 3.33Å; V18-L72 HydrophobicContact CG2-CB 4.43Å; V18-L72 HydrophobicContact CG2-CD1 3.86Å; V18-L72 HydrophobicContact CG2-CG 4.25Å; L22-L72 HydrophobicContact CD2-CD1 4Å; L22-L72 HydrophobicContact CD2-CD2 4.47Å; L22-L72 HydrophobicContact CD2-CG 4.16Å; L72-K74 VanDerWaalsContact C-N 3.25Å; L72-K74 PolarHBondContact O-N 3.43Å
73G85.8Confident88.7Confident65 Ų6565.7 Ų65.767%0.6736%0.364SS*.THydrogen-bonded Turntrans80.4-13.3179.100000115.9I71I71-G73 VanDerWaalsContact C-N 3.27Å; I71-G73 PolarHBondContact O-N 3.39Å
74K88.4Confident86.6Confident49 Ų4968.2 Ų68.221%0.21338%0.383CS..EExtended strand (participates in β ladder)trans-109.4134.8-173-152179.3176.9-152.60112.8N13 L14 D46 K70 I71 L72 V76N13-K74 WeakPolarHBondContact O-CD 3.39Å; N13-K74 WeakPolarHBondContact OD1-CE 3.47Å; N13-K74 PolarHBondContact OD1-NZ 3.07Å; L14-K74 WeakPolarHBondContact O-CD 3.33Å; L14-K74 PolarHBondContact O-NZ 3Å; D46-K74 IonicContact OD1-NZ 3.32Å; D46-K74 PolarHBondContact OD1-NZ 3.24Å; D46-K74 IonicContact OD2-NZ 2.71Å; D46-K74 PolarHBondContact OD2-NZ 2.97Å; K70-K74 CarbonylContact C-O 3.46Å; K70-K74 VanDerWaalsContact CA-O 3.31Å; K70-K74 WeakPolarHBondContact CA-O 3.31Å; I71-K74 PolarHBondContact N-O 2.73Å; I71-K74 PolarHBondContact O-N 3.01Å; L72-K74 VanDerWaalsContact C-N 3.25Å; L72-K74 PolarHBondContact O-N 3.43Å; K74-V76 PolarHBondContact O-N 3.44Å
75E92.2Very high84.1Confident98 Ų9870 Ų7046%0.45839%0.385SS..EExtended strand (participates in β ladder)trans-76.2113-175.9-67.5175.8-178.800111.7N13 R69 K70N13-E75 PolarHBondContact ND2-O 3.41Å; R69-E75 WeakPolarHBondContact O-CA 3.29Å; K70-E75 HydrophobicContact CD-CG 4.19Å; K70-E75 VanDerWaalsContact CE-CG 3.43Å; K70-E75 WeakPolarHBondContact CE-OE1 3.31Å; K70-E75 HydrophobicContact CG-CG 3.55Å; K70-E75 IonicContact NZ-OE1 2.64Å; K70-E75 PolarHBondContact NZ-OE1 3.46Å
76V93.4Very high81.7Confident1 Ų172.6 Ų72.61%0.00640%0.401CS..  trans-81.9141.1-176-53.70000111.7V11 L14 M66 G68 R69 I71 K74 V78V11-V76 HydrophobicContact CG1-CB 4.34Å; L14-V76 HydrophobicContact CD2-CB 4.17Å; L14-V76 HydrophobicContact CD2-CG1 3.56Å; M66-V76 WeakPolarHBondContact O-CG2 3.48Å; G68-V76 PolarHBondContact N-O 2.85Å; R69-V76 PolarHBondContact O-N 2.94Å; I71-V76 HydrophobicContact CB-CG1 3.8Å; I71-V76 HydrophobicContact CD1-CG1 3.79Å; I71-V76 HydrophobicContact CD1-CG2 4.01Å; I71-V76 HydrophobicContact CG1-CG1 3.74Å; I71-V76 HydrophobicContact CG1-CG2 4.26Å; K74-V76 PolarHBondContact O-N 3.44Å; V76-V78 HydrophobicContact CG2-CG2 4.07Å
77K92.1Very high79.3Confident125 Ų12580.7 Ų80.754%0.54344%0.439SS..EExtended strand (participates in β ladder)trans-104.3102.5179.8-68.3-176.4179.6177.90109.6V11 G12 N13 N67V11-K77 WeakPolarHBondContact CA-O 3.45Å; G12-K77 PolarHBondContact N-O 2.79Å; G12-K77 PolarHBondContact O-N 2.9Å; N13-K77 HydrophobicContact CB-CD 4.35Å; N13-K77 HydrophobicContact CB-CG 4.2Å; N67-K77 WeakPolarHBondContact OD1-CA 3.45Å
78V94.1Very high77.2Confident0 Ų086.2 Ų86.20%046%0.459CS..EExtended strand (participates in β ladder)trans-100.5121.1-179.5-169.60000109.3L9 Y10 V11 F27 I63 M66 N67 V76L9-V78 HydrophobicContact CB-CG1 4.29Å; L9-V78 HydrophobicContact CD1-CG1 3.74Å; Y10-V78 WeakPolarHBondContact O-CA 3.41Å; V11-V78 HydrophobicContact CG1-CG2 4.24Å; V11-V78 HydrophobicContact CG2-CG1 4.37Å; V11-V78 HydrophobicContact CG2-CG2 4.45Å; F27-V78 HydrophobicContact CZ-CG2 4.18Å; I63-V78 HydrophobicContact CG1-CG1 4.01Å; M66-V78 HydrophobicContact CB-CG2 3.94Å; N67-V78 HydrophobicContact CB-CB 4.02Å; N67-V78 PolarHBondContact OD1-N 3.07Å; N67-V78 PolarHBondContact OD1-O 2.93Å; V76-V78 HydrophobicContact CG2-CG2 4.07Å
79N93Very high75.5Confident80 Ų8089.5 Ų89.543%0.42846%0.461SS..EExtended strand (participates in β ladder)trans-137.1165.1179.5-67.5-89.8000109.8L9 Y10 A81L9-N79 CarbonylContact C-O 3.59Å; L9-N79 VanDerWaalsContact CA-O 3.31Å; L9-N79 WeakPolarHBondContact CA-O 3.41Å; Y10-N79 PolarHBondContact N-O 3.22Å; Y10-N79 PolarHBondContact O-N 3.27Å; N79-A81 PolarHBondContact O-N 3.45Å
80W91.6Very high73.9Confident94 Ų9487.8 Ų87.836%0.35646%0.463SS..EExtended strand (participates in β ladder)trans-56130165-69.3116.9000110.1P6 L9 H56 A59 T60 I63 T82P6-W80 HydrophobicContact CB-CD2 4.41Å; P6-W80 HydrophobicContact CB-CE3 3.83Å; P6-W80 HydrophobicContact CB-CZ3 4.14Å; P6-W80 HydrophobicContact CG-CD2 4.06Å; P6-W80 HydrophobicContact CG-CE3 3.86Å; P6-W80 HydrophobicContact CG-CH2 4.46Å; P6-W80 HydrophobicContact CG-CZ3 4.07Å; P6-W80 WeakPolarHBondContact O-CZ3 2.85Å; L9-W80 HydrophobicContact CD2-CD2 4.3Å; L9-W80 HydrophobicContact CD2-CE3 3.57Å; L9-W80 HydrophobicContact CD2-CH2 4.41Å; L9-W80 HydrophobicContact CD2-CZ3 3.63Å; H56-W80 AromaticContact CE1-CH2 3.31Å; H56-W80 WeakPolarHBondContact CE1-CH2 3.14Å; H56-W80 AromaticContact CE1-CZ2 3.49Å; H56-W80 VanDerWaalsContact CE1-CZ2 3.49Å; H56-W80 WeakPolarHBondContact CE1-CZ2 3.45Å; H56-W80 AromaticContact ND1-CH2 3.4Å; H56-W80 WeakPolarHBondContact ND1-CH2 3.47Å; H56-W80 AromaticContact ND1-CZ3 3.98Å; A59-W80 HydrophobicContact CB-CH2 3.8Å; A59-W80 HydrophobicContact CB-CZ3 3.57Å; T60-W80 VanDerWaalsContact OG1-CH2 3.24Å; T60-W80 WeakPolarHBondContact OG1-CH2 3.5Å; T60-W80 VanDerWaalsContact OG1-CZ2 3.26Å; T60-W80 WeakPolarHBondContact OG1-CZ2 3.05Å; I63-W80 HydrophobicContact CD1-CD2 3.48Å; I63-W80 VanDerWaalsContact CD1-CD2 3.48Å; I63-W80 HydrophobicContact CD1-CE3 3.96Å; I63-W80 HydrophobicContact CD1-CG 3.89Å; I63-W80 HydrophobicContact CD1-CH2 4.02Å; I63-W80 HydrophobicContact CD1-CZ2 3.58Å; I63-W80 HydrophobicContact CD1-CZ3 4.2Å; W80-T82 PolarHBondContact O-N 3.49Å; W80-T82 VanDerWaalsContact O-N 3.16Å
81A84.9Confident72.7Confident8 Ų882.1 Ų82.17%0.06644%0.44CS..  trans-68.8115.5169.500000108T8 F50 N79 T83T8-A81 HydrophobicContact CG2-CB 3.71Å; T8-A81 WeakPolarHBondContact O-CB 3.48Å; T8-A81 PolarHBondContact O-N 3.08Å; F50-A81 HydrophobicContact CD1-CB 3.8Å; F50-A81 HydrophobicContact CE1-CB 4.04Å; N79-A81 PolarHBondContact O-N 3.45Å; A81-T83 PolarHBondContact O-N 3.3Å
82T76.1Confident71.7Confident109 Ų10984.9 Ų84.967%0.66946%0.461SS*.  trans-66.391.1156.353.10000106.7W80 P84 M130W80-T82 PolarHBondContact O-N 3.49Å; W80-T82 VanDerWaalsContact O-N 3.16Å; T82-P84 WeakPolarHBondContact O-CD 3.39Å; T82-M130 HydrophobicContact CG2-SD 4.29Å
83T54.2Low71.1Confident68 Ų6884.5 Ų84.542%0.41747%0.466SS..  trans-56.6128176.239.30000108.9A81 T85A81-T83 PolarHBondContact O-N 3.3Å; T83-T85 PolarHBondContact O-N 3.28Å; T83-T85 PolarHBondContact O-OG1 3.38Å; T83-T85 PolarHBondContact OG1-OG1 2.84Å
84P49.5Very low71.1Confident86 Ų8682.6 Ų82.656%0.55844%0.439SS*.  trans-71.575.815331.8-30.3000106.6T82 S86 K88T82-P84 WeakPolarHBondContact O-CD 3.39Å; P84-S86 CarbonylContact C-O 3.57Å; P84-S86 VanDerWaalsContact C-O 3.27Å; P84-S86 CarbonylContact O-C 3.57Å; P84-S86 VanDerWaalsContact O-C 3.27Å; P84-S86 PolarHBondContact O-N 3.47Å; P84-K88 HydrophobicContact CB-CG 4.48Å
85T39.5Very low71.2Confident126 Ų12683.9 Ų83.977%0.77345%0.445SS*.  trans-71.81.5178.510.80000113.4T83T83-T85 PolarHBondContact O-N 3.28Å; T83-T85 PolarHBondContact O-OG1 3.38Å; T83-T85 PolarHBondContact OG1-OG1 2.84Å
86S41.5Very low71.1Confident90 Ų9080.6 Ų80.663%0.62943%0.43SS*.SBendtrans-109135.6146.4-61.30000106.9P84 K88P84-S86 CarbonylContact C-O 3.57Å; P84-S86 VanDerWaalsContact C-O 3.27Å; P84-S86 CarbonylContact O-C 3.57Å; P84-S86 VanDerWaalsContact O-C 3.27Å; P84-S86 PolarHBondContact O-N 3.47Å; S86-K88 PolarHBondContact O-N 3.37Å
87Q42.6Very low71.2Confident182 Ų18280.6 Ų80.685%0.8543%0.429SS*.  trans-40.3124.3156.4-68178.3-10.900106.8K89Q87-K89 PolarHBondContact O-N 2.89Å
88K48.5Very low71.4Confident192 Ų19277.3 Ų77.384%0.83542%0.416SS*.  trans-66.882.6169.6-85.3-170.6177.1178.80106.6P84 S86 D90P84-K88 HydrophobicContact CB-CG 4.48Å; S86-K88 PolarHBondContact O-N 3.37Å; K88-D90 PolarHBondContact O-N 3.4Å
89K53.9Low71.4Confident112 Ų11277.3 Ų77.349%0.48742%0.416SS..  trans-50.2112.2164-177.1178.6-176.6-178.30104.3Q87 T91 S122Q87-K89 PolarHBondContact O-N 2.89Å; K89-T91 WeakPolarHBondContact O-CG2 3.27Å; K89-T91 PolarHBondContact O-N 3.01Å; K89-S122 WeakPolarHBondContact CD-O 3.33Å; K89-S122 WeakPolarHBondContact CE-O 3.39Å; K89-S122 PolarHBondContact NZ-O 2.94Å
90D59.3Low71.5Confident112 Ų11273.6 Ų73.660%0.59940%0.396SS*.  trans-63.2113.4-170.3-173.617.3000107.9K88 S92K88-D90 PolarHBondContact O-N 3.4Å; D90-S92 WeakPolarHBondContact OD1-CB 3.2Å; D90-S92 PolarHBondContact OD1-N 3.06Å; D90-S92 PolarHBondContact OD1-OG 3.28Å; D90-S92 PolarHBondContact OD2-OG 2.89Å
91T67.2Low71.7Confident21 Ų2172.8 Ų72.813%0.12940%0.398CS..  trans-110.513.2-179.157.60000110.2K89 S93 H94 H96 D123 R173K89-T91 WeakPolarHBondContact O-CG2 3.27Å; K89-T91 PolarHBondContact O-N 3.01Å; T91-S93 PolarHBondContact O-N 3.25Å; T91-H94 WeakPolarHBondContact CA-ND1 3.44Å; T91-H94 WeakPolarHBondContact CB-ND1 3.49Å; T91-H94 WeakPolarHBondContact CG2-ND1 3.38Å; T91-H94 PolarHBondContact O-N 3.47Å; T91-H96 PolarHBondContact O-CE1 3.31Å; T91-H96 PolarHBondContact O-NE2 2.84Å; T91-D123 HydrophobicContact CG2-CB 3.94Å; T91-R173 PolarHBondContact O-NH2 2.9Å
92S68.9Low72.1Confident70 Ų7072.4 Ų72.449%0.4940%0.395SS..THydrogen-bonded Turntrans-48.6-39.4171.162.90000112.8D90D90-S92 WeakPolarHBondContact OD1-CB 3.2Å; D90-S92 PolarHBondContact OD1-N 3.06Å; D90-S92 PolarHBondContact OD1-OG 3.28Å; D90-S92 PolarHBondContact OD2-OG 2.89Å
93S76.4Confident72.8Confident86 Ų8667.8 Ų67.860%0.60137%0.367SS*.THydrogen-bonded Turntrans-91.1-0.9178.9570000115.2T91T91-S93 PolarHBondContact O-N 3.25Å
94H86.6Confident74.4Confident26 Ų2669.1 Ų69.112%0.1238%0.377CS..SBendtrans-91.2158.5-178.6-66.8145.7000112.9T91 H96 S122 F143 F144T91-H94 WeakPolarHBondContact CA-ND1 3.44Å; T91-H94 WeakPolarHBondContact CB-ND1 3.49Å; T91-H94 WeakPolarHBondContact CG2-ND1 3.38Å; T91-H94 PolarHBondContact O-N 3.47Å; H94-H96 PolarHBondContact O-CD2 3.37Å; H94-H96 PolarHBondContact O-NE2 2.76Å; H94-S122 WeakPolarHBondContact ND1-CB 3.12Å; H94-S122 PolarHBondContact ND1-OG 2.88Å; H94-F143 WeakPolarHBondContact CB-O 3.48Å; H94-F144 AromaticContact CD2-CD1 3.73Å; H94-F144 AromaticContact CE1-CD1 4Å; H94-F144 AromaticContact CE1-CE1 3.71Å; H94-F144 AromaticContact NE2-CD1 3.17Å; H94-F144 WeakPolarHBondContact NE2-CD1 3.15Å; H94-F144 AromaticContact NE2-CE1 3.28Å; H94-F144 VanDerWaalsContact NE2-CE1 3.28Å; H94-F144 WeakPolarHBondContact NE2-CE1 3.38Å
95F88.8Confident76.3Confident76 Ų7671.3 Ų71.333%0.33338%0.38SS..EExtended strand (participates in β ladder)trans-93.8114.4-177-63.4-80.9000110S142 F143 K146 A149 W170F95-S142 CarbonylContact O-C 3.59Å; F95-S142 WeakPolarHBondContact O-CA 3.28Å; F95-F143 PolarHBondContact N-O 3.45Å; F95-F143 PolarHBondContact O-N 3.4Å; F95-K146 HydrophobicContact CD1-CB 3.69Å; F95-K146 HydrophobicContact CD1-CG 3.78Å; F95-K146 HydrophobicContact CD2-CB 4.05Å; F95-K146 HydrophobicContact CE1-CB 3.62Å; F95-K146 HydrophobicContact CE1-CD 4.19Å; F95-K146 HydrophobicContact CE1-CG 3.85Å; F95-K146 HydrophobicContact CE2-CB 3.97Å; F95-K146 HydrophobicContact CG-CB 3.91Å; F95-K146 HydrophobicContact CG-CG 4.36Å; F95-K146 HydrophobicContact CZ-CB 3.77Å; F95-K146 HydrophobicContact CZ-CG 4.48Å; F95-A149 HydrophobicContact CB-CB 3.86Å; F95-W170 HydrophobicContact CB-CZ3 4.13Å
96H91.8Very high78.8Confident29 Ų2965.9 Ų65.913%0.13435%0.346CS..EExtended strand (participates in β ladder)trans-101.9126.8-171.6-59.3-78.1000112.6T91 H94 V141 S142 A171 R173T91-H96 PolarHBondContact O-CE1 3.31Å; T91-H96 PolarHBondContact O-NE2 2.84Å; H94-H96 PolarHBondContact O-CD2 3.37Å; H94-H96 PolarHBondContact O-NE2 2.76Å; H96-V141 CarbonylContact C-O 3.49Å; H96-V141 WeakPolarHBondContact CA-O 3.38Å; H96-S142 PolarHBondContact CE1-OG 2.83Å; H96-S142 WeakPolarHBondContact ND1-CB 3.32Å; H96-S142 PolarHBondContact ND1-OG 3.11Å; H96-A171 HydrophobicContact CB-CB 3.58Å; H96-A171 WeakPolarHBondContact O-CB 3.4Å; H96-A171 PolarHBondContact O-N 3.41Å; H96-R173 PolarHBondContact NE2-NH2 3.46Å
97V94.4Very high81.2Confident0 Ų064.3 Ų64.30%033%0.333CS..EExtended strand (participates in β ladder)trans-100.7126.8171.2-177.40000108.5V99 F115 F140 V141 F143 A149 I153 T168 N169V97-V99 HydrophobicContact CG1-CG2 4.25Å; V97-F115 HydrophobicContact CG1-CE1 4.33Å; V97-F140 WeakPolarHBondContact O-CA 3.36Å; V97-V141 PolarHBondContact N-O 3.28Å; V97-V141 PolarHBondContact O-N 3.03Å; V97-F143 HydrophobicContact CG2-CD2 4.06Å; V97-F143 HydrophobicContact CG2-CE2 3.96Å; V97-A149 HydrophobicContact CG2-CB 3.76Å; V97-I153 HydrophobicContact CB-CG1 4.36Å; V97-I153 HydrophobicContact CG1-CD1 4.41Å; V97-I153 HydrophobicContact CG1-CG1 3.69Å; V97-I153 HydrophobicContact CG2-CD1 4.02Å; V97-I153 HydrophobicContact CG2-CG1 3.88Å; V97-T168 HydrophobicContact CG1-CG2 4.3Å; V97-N169 CarbonylContact C-O 3.59Å; V97-N169 WeakPolarHBondContact CA-O 3.49Å
98F95.8Very high83.4Confident57 Ų5757.7 Ų57.725%0.2531%0.305CS..EExtended strand (participates in β ladder)trans-80.6133.7164.2166.5-92.1000108.6Y138 F140 T168 N169 A171F98-Y138 HydrophobicContact CD2-CD2 4.33Å; F98-Y138 AromaticContact CE2-CD2 3.7Å; F98-Y138 HydrophobicContact CE2-CD2 3.7Å; F98-Y138 AromaticContact CE2-CG 3.9Å; F98-Y138 HydrophobicContact CE2-CG 3.9Å; F98-Y138 HydrophobicContact CZ-CG 4.48Å; F98-F140 HydrophobicContact CB-CD1 4.38Å; F98-F140 HydrophobicContact CB-CE1 4.23Å; F98-F140 AromaticContact CD2-CE1 3.87Å; F98-F140 HydrophobicContact CD2-CE1 3.87Å; F98-F140 HydrophobicContact CD2-CZ 4.19Å; F98-T168 WeakPolarHBondContact O-CA 3.04Å; F98-N169 HydrophobicContact CD1-CB 4.41Å; F98-N169 PolarHBondContact N-O 2.71Å; F98-N169 PolarHBondContact O-N 3.04Å; F98-A171 HydrophobicContact CB-CB 4.12Å
99V96Very high85.5Confident0 Ų053.7 Ų53.70%029%0.292CS..EExtended strand (participates in β ladder)trans-121.7106.6174.6-167.30000107.9V97 L102 F115 Y138 G139 V141 I166 R167V97-V99 HydrophobicContact CG1-CG2 4.25Å; V99-L102 HydrophobicContact CG1-CD2 3.72Å; V99-L102 HydrophobicContact CG1-CG 4.46Å; V99-F115 HydrophobicContact CB-CZ 4.49Å; V99-F115 HydrophobicContact CG1-CE2 4.15Å; V99-F115 HydrophobicContact CG1-CZ 4.02Å; V99-F115 HydrophobicContact CG2-CE1 4.06Å; V99-F115 HydrophobicContact CG2-CE2 4.03Å; V99-F115 HydrophobicContact CG2-CZ 3.57Å; V99-Y138 CarbonylContact O-C 3.55Å; V99-Y138 WeakPolarHBondContact O-CA 3.46Å; V99-Y138 WeakPolarHBondContact O-CB 3.41Å; V99-G139 PolarHBondContact N-O 3.28Å; V99-G139 PolarHBondContact O-N 3.48Å; V99-V141 HydrophobicContact CG2-CG2 3.92Å; V99-I166 HydrophobicContact CG1-CB 4.23Å; V99-I166 HydrophobicContact CG1-CD1 4.01Å; V99-I166 HydrophobicContact CG1-CG1 4.47Å; V99-R167 CarbonylContact C-O 3.56Å; V99-R167 WeakPolarHBondContact CA-O 3.26Å
100G94.4Very high87.3Confident1 Ų151.5 Ų51.51%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-104.7177179.700000113.3L102 G137 I166 R167G100-L102 PolarHBondContact O-N 3.32Å; G100-G137 CarbonylContact C-O 3.54Å; G100-I166 WeakPolarHBondContact O-CA 3.32Å; G100-R167 PolarHBondContact N-O 2.77Å; G100-R167 PolarHBondContact O-N 3.25Å
101D94.6Very high89Confident77 Ų7746.2 Ų46.241%0.41226%0.258SS..SBendtrans61.520.8176.1-58.2-60.7000115G137 R164 R167D101-G137 PolarHBondContact N-O 3.22Å; D101-R164 PolarHBondContact O-NE 3.02Å; D101-R164 PolarHBondContact O-NH2 3.28Å; D101-R167 VanDerWaalsContact OD2-CB 3.24Å; D101-R167 WeakPolarHBondContact OD2-CB 3.31Å
102L93.9Very high90.2Very high1 Ų150 Ų501%0.00527%0.273CS..  trans-60.7145.6177.3-59.2173.6000112.1V99 G100 I106 I111 V126 G137 L161 I166V99-L102 HydrophobicContact CG1-CD2 3.72Å; V99-L102 HydrophobicContact CG1-CG 4.46Å; G100-L102 PolarHBondContact O-N 3.32Å; L102-I106 HydrophobicContact CD2-CG2 4.18Å; L102-I111 HydrophobicContact CD1-CD1 3.55Å; L102-I111 HydrophobicContact CD2-CD1 4.03Å; L102-I111 HydrophobicContact CD2-CG1 4.35Å; L102-I111 HydrophobicContact CG-CD1 4.46Å; L102-V126 HydrophobicContact CD1-CG2 4.38Å; L102-G137 PolarHBondContact N-O 2.9Å; L102-L161 HydrophobicContact CD2-CD2 4.39Å; L102-I166 HydrophobicContact CD2-CG2 3.91Å
103S91.8Very high91.4Very high11 Ų1150 Ų508%0.07728%0.277CS..  trans-66.4146.4167-175.80000111.8E105 I106 G162S103-E105 WeakPolarHBondContact CB-OE1 3.34Å; S103-E105 PolarHBondContact O-N 3.48Å; S103-E105 VanDerWaalsContact O-N 3.15Å; S103-E105 VanDerWaalsContact OG-CD 3.29Å; S103-E105 PolarHBondContact OG-OE1 3.06Å; S103-I106 WeakPolarHBondContact O-CB 3.48Å; S103-I106 PolarHBondContact O-N 2.86Å; S103-I106 VanDerWaalsContact O-N 3.09Å; S103-G162 WeakPolarHBondContact CB-O 3.48Å; S103-G162 PolarHBondContact OG-O 2.97Å
104P87.4Confident92.2Very high97 Ų9747 Ų4763%0.6326%0.257SS*.THydrogen-bonded Turntrans-59.3-23178.6-25.135.5000114.7
105E88.9Confident92.6Very high131 Ų13145.8 Ų45.861%0.61225%0.251SS*.THydrogen-bonded Turntrans-79.8-19.2178.473.5-145.5140.200113.7S103 T107S103-E105 WeakPolarHBondContact CB-OE1 3.34Å; S103-E105 PolarHBondContact O-N 3.48Å; S103-E105 VanDerWaalsContact O-N 3.15Å; S103-E105 VanDerWaalsContact OG-CD 3.29Å; S103-E105 PolarHBondContact OG-OE1 3.06Å; E105-T107 PolarHBondContact O-N 3.44Å
106I92.5Very high92.9Very high13 Ų1344.8 Ų44.87%0.06726%0.257CS..  trans-69.6124.9-176.4-71.5-64.1000110.9L102 S103 D110 I111 L161L102-I106 HydrophobicContact CD2-CG2 4.18Å; S103-I106 WeakPolarHBondContact O-CB 3.48Å; S103-I106 PolarHBondContact O-N 2.86Å; S103-I106 VanDerWaalsContact O-N 3.09Å; I106-D110 HydrophobicContact CD1-CB 4Å; I106-D110 HydrophobicContact CG2-CB 4.2Å; I106-I111 HydrophobicContact CG2-CD1 4.11Å; I106-I111 HydrophobicContact CG2-CG1 3.67Å; I106-L161 HydrophobicContact CD1-CD1 4.35Å; I106-L161 HydrophobicContact CD1-CD2 4.44Å; I106-L161 HydrophobicContact CD1-CG 3.83Å; I106-L161 HydrophobicContact CG1-CG 4.33Å; I106-L161 HydrophobicContact CG2-CD2 4.32Å
107T90.8Very high93Very high57 Ų5748.3 Ų48.335%0.3528%0.283SS..  trans-93.6172.5179.374.30000111.9E105 D109 D110 I111E105-T107 PolarHBondContact O-N 3.44Å; T107-D109 PolarHBondContact O-N 3.06Å; T107-D109 PolarHBondContact OG1-N 3.28Å; T107-D110 WeakPolarHBondContact CA-OD2 3.31Å; T107-D110 VanDerWaalsContact CB-OD2 3.27Å; T107-D110 WeakPolarHBondContact CB-OD2 3.28Å; T107-D110 WeakPolarHBondContact CG2-OD2 3.48Å; T107-D110 PolarHBondContact N-OD2 3.18Å; T107-D110 VanDerWaalsContact OG1-CG 3.28Å; T107-D110 PolarHBondContact OG1-N 2.79Å; T107-D110 PolarHBondContact OG1-OD2 3.34Å; T107-I111 PolarHBondContact O-N 3.28Å
108T90.3Very high93Very high43 Ų4350.2 Ų50.226%0.26429%0.291SS..Hα-helixtrans-61.6-35.5172.5-62.90000111.7K112 C124 V126T108-K112 WeakPolarHBondContact O-CB 3.4Å; T108-K112 PolarHBondContact O-N 2.86Å; T108-C124 HydrophobicContact CG2-CB 4.39Å; T108-C124 WeakPolarHBondContact CG2-O 3.1Å; T108-V126 PolarHBondContact OG1-N 3.15Å; T108-V126 VanDerWaalsContact OG1-N 3.13Å
109D90.7Very high92.7Very high107 Ų10748.6 Ų48.657%0.57229%0.29SS*.Hα-helixtrans-74.7-33.8-177.3-65.8-64.5000112.4T107 K112 A113T107-D109 PolarHBondContact O-N 3.06Å; T107-D109 PolarHBondContact OG1-N 3.28Å; D109-K112 WeakPolarHBondContact O-CB 3.11Å; D109-K112 PolarHBondContact O-N 3.43Å; D109-A113 WeakPolarHBondContact O-CB 3.47Å; D109-A113 PolarHBondContact O-N 3.15Å
110D93.1Very high92.4Very high67 Ų6755.7 Ų55.736%0.35832%0.321SS..Hα-helixtrans-62.6-44.4173.1-56.6-56.6000111.4I106 T107 K112 A113 A114I106-D110 HydrophobicContact CD1-CB 4Å; I106-D110 HydrophobicContact CG2-CB 4.2Å; T107-D110 WeakPolarHBondContact CA-OD2 3.31Å; T107-D110 VanDerWaalsContact CB-OD2 3.27Å; T107-D110 WeakPolarHBondContact CB-OD2 3.28Å; T107-D110 WeakPolarHBondContact CG2-OD2 3.48Å; T107-D110 PolarHBondContact N-OD2 3.18Å; T107-D110 VanDerWaalsContact OG1-CG 3.28Å; T107-D110 PolarHBondContact OG1-N 2.79Å; T107-D110 PolarHBondContact OG1-OD2 3.34Å; D110-K112 VanDerWaalsContact C-N 3.34Å; D110-A113 PolarHBondContact O-N 3.15Å; D110-A114 VanDerWaalsContact O-CB 3.27Å; D110-A114 WeakPolarHBondContact O-CB 3.35Å; D110-A114 PolarHBondContact O-N 3.42Å
111I94.4Very high92.2Very high1 Ų157.1 Ų57.11%0.00533%0.328CS..Hα-helixtrans-63.1-43.9173.9-62.2178.7000110.1L102 I106 T107 A113 A114 F115 V126 V141 L161L102-I111 HydrophobicContact CD1-CD1 3.55Å; L102-I111 HydrophobicContact CD2-CD1 4.03Å; L102-I111 HydrophobicContact CD2-CG1 4.35Å; L102-I111 HydrophobicContact CG-CD1 4.46Å; I106-I111 HydrophobicContact CG2-CD1 4.11Å; I106-I111 HydrophobicContact CG2-CG1 3.67Å; T107-I111 PolarHBondContact O-N 3.28Å; I111-A113 VanDerWaalsContact C-N 3.33Å; I111-A113 PolarHBondContact O-N 2.91Å; I111-A114 PolarHBondContact O-N 3.32Å; I111-F115 HydrophobicContact CG2-CD2 3.78Å; I111-F115 HydrophobicContact CG2-CE2 4.09Å; I111-F115 WeakPolarHBondContact O-CB 3.26Å; I111-F115 VanDerWaalsContact O-CD2 3.27Å; I111-F115 WeakPolarHBondContact O-CD2 3.39Å; I111-F115 PolarHBondContact O-N 3.15Å; I111-V126 HydrophobicContact CD1-CG2 3.49Å; I111-V126 VanDerWaalsContact CD1-CG2 3.49Å; I111-V126 HydrophobicContact CG1-CG2 4.43Å; I111-V141 HydrophobicContact CG2-CG2 3.32Å; I111-L161 HydrophobicContact CG1-CD2 4.42Å
112K93.3Very high91.9Very high101 Ų10153.9 Ų53.944%0.43931%0.311SS..Hα-helixtrans-60.8-42.9179.5-170.5-175.8180-175.20111.6T108 D109 D110 A116 I121T108-K112 WeakPolarHBondContact O-CB 3.4Å; T108-K112 PolarHBondContact O-N 2.86Å; D109-K112 WeakPolarHBondContact O-CB 3.11Å; D109-K112 PolarHBondContact O-N 3.43Å; D110-K112 VanDerWaalsContact C-N 3.34Å; K112-A116 VanDerWaalsContact O-CB 3.29Å; K112-A116 WeakPolarHBondContact O-CB 3.43Å; K112-A116 PolarHBondContact O-N 3.47Å; K112-I121 HydrophobicContact CG-CD1 4.08Å; K112-I121 WeakPolarHBondContact O-CD1 3.3Å
113A93.6Very high91.7Very high69 Ų6956.8 Ų56.857%0.5733%0.327SS*.Hα-helixtrans-65-46.4175.900000111.6D109 D110 I111 F115 A116 P117D109-A113 WeakPolarHBondContact O-CB 3.47Å; D109-A113 PolarHBondContact O-N 3.15Å; D110-A113 PolarHBondContact O-N 3.15Å; I111-A113 VanDerWaalsContact C-N 3.33Å; I111-A113 PolarHBondContact O-N 2.91Å; A113-F115 VanDerWaalsContact C-N 3.31Å; A113-F115 PolarHBondContact O-N 3.4Å; A113-A116 PolarHBondContact O-N 3.12Å; A113-P117 WeakPolarHBondContact O-CD 3.42Å
114A93.5Very high91.6Very high23 Ų2357.2 Ų57.219%0.1933%0.33CS..Hα-helixtrans-64.5-32.3179.600000113.2D110 I111 F118 M156 L161D110-A114 VanDerWaalsContact O-CB 3.27Å; D110-A114 WeakPolarHBondContact O-CB 3.35Å; D110-A114 PolarHBondContact O-N 3.42Å; I111-A114 PolarHBondContact O-N 3.32Å; A114-F118 WeakPolarHBondContact O-CE2 3.12Å; A114-M156 HydrophobicContact CB-CE 4.05Å; A114-L161 HydrophobicContact CB-CD1 3.99Å; A114-L161 HydrophobicContact CB-CD2 4.35Å
115F95.2Very high91.7Very high0 Ų058.2 Ų58.20%032%0.321CS..Hα-helixtrans-96.1-11.6-178.3-78.5-105.3000114.4V97 V99 I111 A113 P117 F118 I121 V141 F143 A152 M156 I166 T168V97-F115 HydrophobicContact CG1-CE1 4.33Å; V99-F115 HydrophobicContact CB-CZ 4.49Å; V99-F115 HydrophobicContact CG1-CE2 4.15Å; V99-F115 HydrophobicContact CG1-CZ 4.02Å; V99-F115 HydrophobicContact CG2-CE1 4.06Å; V99-F115 HydrophobicContact CG2-CE2 4.03Å; V99-F115 HydrophobicContact CG2-CZ 3.57Å; I111-F115 HydrophobicContact CG2-CD2 3.78Å; I111-F115 HydrophobicContact CG2-CE2 4.09Å; I111-F115 WeakPolarHBondContact O-CB 3.26Å; I111-F115 VanDerWaalsContact O-CD2 3.27Å; I111-F115 WeakPolarHBondContact O-CD2 3.39Å; I111-F115 PolarHBondContact O-N 3.15Å; A113-F115 VanDerWaalsContact C-N 3.31Å; A113-F115 PolarHBondContact O-N 3.4Å; F115-P117 VanDerWaalsContact C-CD 3.41Å; F115-F118 PolarHBondContact O-N 3.24Å; F115-I121 HydrophobicContact CB-CD1 3.86Å; F115-V141 HydrophobicContact CB-CG1 4.14Å; F115-V141 HydrophobicContact CB-CG2 4.45Å; F115-V141 HydrophobicContact CD1-CB 4.46Å; F115-V141 HydrophobicContact CD1-CG1 4.41Å; F115-V141 HydrophobicContact CD1-CG2 4.23Å; F115-V141 HydrophobicContact CD2-CG2 4.34Å; F115-V141 HydrophobicContact CG-CG1 4.43Å; F115-V141 HydrophobicContact CG-CG2 4.08Å; F115-F143 HydrophobicContact CB-CZ 4.21Å; F115-F143 HydrophobicContact CD1-CE2 4.33Å; F115-F143 HydrophobicContact CD1-CZ 4.16Å; F115-A152 HydrophobicContact CD1-CB 3.96Å; F115-A152 HydrophobicContact CE1-CB 4.18Å; F115-M156 HydrophobicContact CE1-CB 4.1Å; F115-M156 HydrophobicContact CE1-CG 4.13Å; F115-M156 HydrophobicContact CE2-CE 4.17Å; F115-M156 HydrophobicContact CE2-CG 4.47Å; F115-M156 HydrophobicContact CZ-CB 3.85Å; F115-M156 HydrophobicContact CZ-CG 4.09Å; F115-I166 HydrophobicContact CE2-CD1 3.98Å; F115-I166 HydrophobicContact CZ-CD1 4.11Å; F115-T168 HydrophobicContact CE1-CG2 3.9Å; F115-T168 HydrophobicContact CZ-CG2 3.64Å
116A93.8Very high91.8Very high55 Ų5552.5 Ų52.546%0.45530%0.295SS..G310 helixtrans-59-34.4179.200000115.4K112 A113 F118 G119K112-A116 VanDerWaalsContact O-CB 3.29Å; K112-A116 WeakPolarHBondContact O-CB 3.43Å; K112-A116 PolarHBondContact O-N 3.47Å; A113-A116 PolarHBondContact O-N 3.12Å; A116-F118 PolarHBondContact O-N 2.89Å; A116-G119 PolarHBondContact O-N 3.19Å
117P95.4Very high91.6Very high104 Ų10452.8 Ų52.868%0.67530%0.297SS*.G310 helixtrans-63.9-23.1179.4-25.636.3000114.8A113 F115A113-P117 WeakPolarHBondContact O-CD 3.42Å; F115-P117 VanDerWaalsContact C-CD 3.41Å
118F92.6Very high91.3Very high40 Ų4055.9 Ų55.918%0.17531%0.306CS..G310 helixtrans-85.2-13.5-175.8-55.2-75.5000113.8A114 F115 A116 F143 D148 A152 Q155 M156A114-F118 WeakPolarHBondContact O-CE2 3.12Å; F115-F118 PolarHBondContact O-N 3.24Å; A116-F118 PolarHBondContact O-N 2.89Å; F118-F143 HydrophobicContact CB-CE1 4.45Å; F118-F143 HydrophobicContact CB-CZ 4.49Å; F118-D148 WeakPolarHBondContact O-CA 3.37Å; F118-D148 VanDerWaalsContact O-CB 3.32Å; F118-D148 WeakPolarHBondContact O-CB 3.39Å; F118-A152 HydrophobicContact CB-CB 3.82Å; F118-A152 HydrophobicContact CD2-CB 4.14Å; F118-A152 HydrophobicContact CG-CB 3.92Å; F118-Q155 HydrophobicContact CD1-CB 4.39Å; F118-Q155 HydrophobicContact CE1-CB 3.57Å; F118-Q155 HydrophobicContact CE1-CG 4.21Å; F118-Q155 HydrophobicContact CZ-CB 4.1Å; F118-M156 HydrophobicContact CD2-CG 4.13Å; F118-M156 HydrophobicContact CE2-CG 3.31Å; F118-M156 HydrophobicContact CE2-SD 3.51Å; F118-M156 VanDerWaalsContact CE2-SD 3.51Å; F118-M156 HydrophobicContact CZ-CG 3.56Å; F118-M156 HydrophobicContact CZ-SD 3.56Å; F118-M156 VanDerWaalsContact CZ-SD 3.56Å
119G89.8Confident90.7Very high22 Ų2256.2 Ų56.223%0.22731%0.306CS..SBendtrans152.9-176.4177.500000114.2A116 I121 D148A116-G119 PolarHBondContact O-N 3.19Å; G119-I121 PolarHBondContact O-N 3.34Å; G119-I121 VanDerWaalsContact O-N 3.15Å; G119-D148 WeakPolarHBondContact CA-OD2 3.49Å
120K89.9Confident89.9Confident150 Ų15059.5 Ų59.565%0.65232%0.32SS*.  trans-76.7107.8-174.4-167.5-180-177.81760110.5S122 F144K120-S122 PolarHBondContact O-N 3.43Å; K120-F144 HydrophobicContact CB-CD2 3.96Å; K120-F144 HydrophobicContact CD-CD2 3.8Å; K120-F144 HydrophobicContact CD-CE2 3.83Å; K120-F144 HydrophobicContact CG-CD2 3.72Å; K120-F144 HydrophobicContact CG-CE2 3.82Å; K120-F144 VanDerWaalsContact O-CD2 3.31Å; K120-F144 WeakPolarHBondContact O-CD2 3.27Å; K120-F144 PolarHBondContact O-N 3.37Å
121I91.5Very high88.6Confident31 Ų3160.9 Ų60.916%0.15934%0.341CS..EExtended strand (participates in β ladder)trans-68.9126.7173.3-60.4174.7000109.5K112 F115 G119 D123 C124 V141 S142 F143K112-I121 HydrophobicContact CG-CD1 4.08Å; K112-I121 WeakPolarHBondContact O-CD1 3.3Å; F115-I121 HydrophobicContact CB-CD1 3.86Å; G119-I121 PolarHBondContact O-N 3.34Å; G119-I121 VanDerWaalsContact O-N 3.15Å; I121-D123 WeakPolarHBondContact CG2-O 3.48Å; I121-C124 HydrophobicContact CG2-CB 4Å; I121-V141 HydrophobicContact CD1-CG1 4.01Å; I121-V141 HydrophobicContact CG1-CG1 3.95Å; I121-V141 HydrophobicContact CG2-CG1 4.03Å; I121-S142 CarbonylContact C-O 3.52Å; I121-S142 WeakPolarHBondContact CA-O 3.26Å; I121-F143 HydrophobicContact CG1-CD1 4.42Å; I121-F143 HydrophobicContact CG1-CE1 3.93Å; I121-F143 HydrophobicContact CG1-CZ 4.28Å
122S88.2Confident87.7Confident8 Ų865.1 Ų65.16%0.05637%0.367CS..EExtended strand (participates in β ladder)trans-90.4-36.2176.865.90000112.8K89 H94 K120 S142 F144K89-S122 WeakPolarHBondContact CD-O 3.33Å; K89-S122 WeakPolarHBondContact CE-O 3.39Å; K89-S122 PolarHBondContact NZ-O 2.94Å; H94-S122 WeakPolarHBondContact ND1-CB 3.12Å; H94-S122 PolarHBondContact ND1-OG 2.88Å; K120-S122 PolarHBondContact O-N 3.43Å; S122-S142 PolarHBondContact N-O 2.96Å; S122-S142 VanDerWaalsContact OG-CB 3.25Å; S122-S142 WeakPolarHBondContact OG-CB 3.44Å; S122-S142 PolarHBondContact OG-O 2.9Å; S122-F144 VanDerWaalsContact CB-CE2 3.44Å
123D88.3Confident86.9Confident63 Ų6362.6 Ų62.634%0.33737%0.369SS..EExtended strand (participates in β ladder)trans-157.2149.6176.417936.9000110.2T91 I121 S142T91-D123 HydrophobicContact CG2-CB 3.94Å; I121-D123 WeakPolarHBondContact CG2-O 3.48Å; D123-S142 WeakPolarHBondContact O-CB 3.3Å; D123-S142 PolarHBondContact O-N 2.89Å; D123-S142 PolarHBondContact O-OG 3.25Å
124C90.4Very high86.3Confident19 Ų1966.6 Ų66.613%0.12837%0.374CS..EExtended strand (participates in β ladder)trans-151.7141.4177.457.20000111.4T108 I121 F140T108-C124 HydrophobicContact CG2-CB 4.39Å; T108-C124 WeakPolarHBondContact CG2-O 3.1Å; I121-C124 HydrophobicContact CG2-CB 4Å; C124-F140 CarbonylContact C-O 3.53Å; C124-F140 WeakPolarHBondContact CA-O 3.41Å
125R89.4Confident86.1Confident118 Ų11866.7 Ų66.745%0.44537%0.374SS..EExtended strand (participates in β ladder)trans-156.2138.3177.966.3-169.1-172.692.94.6113.7G139 F140R125-G139 CarbonylContact O-C 3.58Å; R125-G139 WeakPolarHBondContact O-CA 3.45Å; R125-F140 HydrophobicContact CG-CB 4.46Å; R125-F140 PolarHBondContact N-O 3.27Å; R125-F140 VanDerWaalsContact NH2-CD2 3.35Å; R125-F140 PolarHBondContact O-N 3.23Å
126V90.8Very high85.7Confident12 Ų1271.8 Ų71.87%0.07340%0.396CS..EExtended strand (participates in β ladder)trans-78.5137.81581740000109.3L102 T108 I111 K128 S135L102-V126 HydrophobicContact CD1-CG2 4.38Å; T108-V126 PolarHBondContact OG1-N 3.15Å; T108-V126 VanDerWaalsContact OG1-N 3.13Å; I111-V126 HydrophobicContact CD1-CG2 3.49Å; I111-V126 VanDerWaalsContact CD1-CG2 3.49Å; I111-V126 HydrophobicContact CG1-CG2 4.43Å; V126-K128 HydrophobicContact CG1-CG 4.38Å; V126-S135 WeakPolarHBondContact CG1-OG 3.42Å
127V87.6Confident85.6Confident19 Ų1970 Ų7012%0.11538%0.383CS..EExtended strand (participates in β ladder)trans-85.2119.9171.7-171.10000109.3K136 Y138 F140V127-K136 HydrophobicContact CG1-CD 3.98Å; V127-K136 HydrophobicContact CG1-CG 4.41Å; V127-K136 WeakPolarHBondContact O-CB 3.34Å; V127-K136 PolarHBondContact O-N 3.44Å; V127-Y138 HydrophobicContact CB-CD2 4.13Å; V127-Y138 HydrophobicContact CB-CE1 4.36Å; V127-Y138 HydrophobicContact CB-CE2 3.76Å; V127-Y138 HydrophobicContact CG1-CE2 4.13Å; V127-Y138 HydrophobicContact CG2-CD2 3.74Å; V127-Y138 HydrophobicContact CG2-CE2 3.42Å; V127-Y138 VanDerWaalsContact CG2-CE2 3.42Å; V127-Y138 PolarHBondContact N-O 3.08Å; V127-F140 HydrophobicContact CG2-CD2 3.92Å; V127-F140 HydrophobicContact CG2-CE2 3.71Å
128K85.9Confident85.5Confident121 Ų12168.5 Ų68.553%0.52636%0.364SS..EExtended strand (participates in β ladder)trans-105.4153.8174.1-64.3177.7174.5-170.70110.3V126 G133 K134V126-K128 HydrophobicContact CG1-CG 4.38Å; K128-G133 WeakPolarHBondContact CD-O 3.34Å; K128-K134 CarbonylContact C-O 3.57Å; K128-K134 VanDerWaalsContact CA-O 3.23Å; K128-K134 WeakPolarHBondContact CA-O 3.45Å
129D77.8Confident85.5Confident51 Ų5166.6 Ų66.627%0.27336%0.356SS..  trans-73.2132.5170.3-172.3-87.7000110.1A131 T132 G133 K134 K136D129-A131 PolarHBondContact OD1-N 3.2Å; D129-T132 PolarHBondContact OD1-N 3.04Å; D129-T132 VanDerWaalsContact OD1-N 3.09Å; D129-T132 PolarHBondContact OD1-OG1 3.29Å; D129-G133 VanDerWaalsContact O-CA 3.25Å; D129-G133 WeakPolarHBondContact O-CA 3.42Å; D129-G133 PolarHBondContact O-N 3.36Å; D129-K134 PolarHBondContact N-O 2.85Å; D129-K136 HydrophobicContact CB-CD 4.43Å; D129-K136 HydrophobicContact CB-CG 4.25Å; D129-K136 IonicContact OD2-NZ 2.68Å
130M73.4Confident85.7Confident175 Ų17567.5 Ų67.586%0.86235%0.354SS*.THydrogen-bonded Turntrans-76.5-22.4-173.2-60.5-168.9-54.200113.4T82T82-M130 HydrophobicContact CG2-SD 4.29Å
131A65.8Low86Confident97 Ų9760.4 Ų60.480%0.80232%0.323SS*.THydrogen-bonded Turntrans-88-33179.600000111.9D129D129-A131 PolarHBondContact OD1-N 3.2Å
132T76.1Confident86Confident90 Ų9059 Ų5955%0.55232%0.316SS*.THydrogen-bonded Turntrans-111.3-9.1-175.168.40000114.9D129 K134D129-T132 PolarHBondContact OD1-N 3.04Å; D129-T132 VanDerWaalsContact OD1-N 3.09Å; D129-T132 PolarHBondContact OD1-OG1 3.29Å; T132-K134 PolarHBondContact O-N 3.16Å; T132-K134 VanDerWaalsContact O-N 3.07Å
133G76.4Confident86.2Confident47 Ų4758.6 Ų58.649%0.48531%0.313SS..  trans68.7-3.6-175.800000115.3K128 D129K128-G133 WeakPolarHBondContact CD-O 3.34Å; D129-G133 VanDerWaalsContact O-CA 3.25Å; D129-G133 WeakPolarHBondContact O-CA 3.42Å; D129-G133 PolarHBondContact O-N 3.36Å
134K80.8Confident86.2Confident153 Ų15358.8 Ų58.867%0.66531%0.311SS*.  trans-78.1147.7-174.4-65.2-174.7178.2-176.20112.1K128 D129 T132K128-K134 CarbonylContact C-O 3.57Å; K128-K134 VanDerWaalsContact CA-O 3.23Å; K128-K134 WeakPolarHBondContact CA-O 3.45Å; D129-K134 PolarHBondContact N-O 2.85Å; T132-K134 PolarHBondContact O-N 3.16Å; T132-K134 VanDerWaalsContact O-N 3.07Å
135S87.9Confident86.1Confident26 Ų2661.9 Ų61.918%0.18233%0.326CS..EExtended strand (participates in β ladder)trans-59137.3172.7179.90000111.1V126 G137V126-S135 WeakPolarHBondContact CG1-OG 3.42Å; S135-G137 VanDerWaalsContact C-N 3.25Å; S135-G137 PolarHBondContact OG-N 2.78Å
136K88.3Confident86.1Confident107 Ų10761.5 Ų61.547%0.46533%0.328SS..EExtended strand (participates in β ladder)trans-86.47.1173.6-54.9-166.572.1148.80112.8V127 D129 Y138V127-K136 HydrophobicContact CG1-CD 3.98Å; V127-K136 HydrophobicContact CG1-CG 4.41Å; V127-K136 WeakPolarHBondContact O-CB 3.34Å; V127-K136 PolarHBondContact O-N 3.44Å; D129-K136 HydrophobicContact CB-CD 4.43Å; D129-K136 HydrophobicContact CB-CG 4.25Å; D129-K136 IonicContact OD2-NZ 2.68Å; K136-Y138 VanDerWaalsContact C-N 3.3Å; K136-Y138 HydrophobicContact CB-CD1 3.84Å; K136-Y138 HydrophobicContact CB-CE1 3.52Å; K136-Y138 HydrophobicContact CD-CE1 4.32Å; K136-Y138 HydrophobicContact CG-CE1 4.5Å; K136-Y138 WeakPolarHBondContact O-CD1 3.38Å; K136-Y138 PolarHBondContact O-N 3.39Å
137G90.9Very high86.2Confident18 Ų1869.7 Ų69.719%0.18636%0.357CS..EExtended strand (participates in β ladder)trans75.413.8-179.300000114.6G100 D101 L102 S135G100-G137 CarbonylContact C-O 3.54Å; D101-G137 PolarHBondContact N-O 3.22Å; L102-G137 PolarHBondContact N-O 2.9Å; S135-G137 VanDerWaalsContact C-N 3.25Å; S135-G137 PolarHBondContact OG-N 2.78Å
138Y93.9Very high86.5Confident71 Ų7169.9 Ų69.928%0.27836%0.358SS..EExtended strand (participates in β ladder)trans-147.3158.3174.270.8-84.5000112.8F98 V99 V127 K136 F140F98-Y138 HydrophobicContact CD2-CD2 4.33Å; F98-Y138 AromaticContact CE2-CD2 3.7Å; F98-Y138 HydrophobicContact CE2-CD2 3.7Å; F98-Y138 AromaticContact CE2-CG 3.9Å; F98-Y138 HydrophobicContact CE2-CG 3.9Å; F98-Y138 HydrophobicContact CZ-CG 4.48Å; V99-Y138 CarbonylContact O-C 3.55Å; V99-Y138 WeakPolarHBondContact O-CA 3.46Å; V99-Y138 WeakPolarHBondContact O-CB 3.41Å; V127-Y138 HydrophobicContact CB-CD2 4.13Å; V127-Y138 HydrophobicContact CB-CE1 4.36Å; V127-Y138 HydrophobicContact CB-CE2 3.76Å; V127-Y138 HydrophobicContact CG1-CE2 4.13Å; V127-Y138 HydrophobicContact CG2-CD2 3.74Å; V127-Y138 HydrophobicContact CG2-CE2 3.42Å; V127-Y138 VanDerWaalsContact CG2-CE2 3.42Å; V127-Y138 PolarHBondContact N-O 3.08Å; K136-Y138 VanDerWaalsContact C-N 3.3Å; K136-Y138 HydrophobicContact CB-CD1 3.84Å; K136-Y138 HydrophobicContact CB-CE1 3.52Å; K136-Y138 HydrophobicContact CD-CE1 4.32Å; K136-Y138 HydrophobicContact CG-CE1 4.5Å; K136-Y138 WeakPolarHBondContact O-CD1 3.38Å; K136-Y138 PolarHBondContact O-N 3.39Å; Y138-F140 HydrophobicContact CD2-CE2 4.05Å; Y138-F140 HydrophobicContact CD2-CZ 4.27Å; Y138-F140 AromaticContact CE2-CE2 3.87Å; Y138-F140 HydrophobicContact CE2-CE2 3.87Å; Y138-F140 HydrophobicContact CE2-CZ 4.14Å
139G92.7Very high86.8Confident0 Ų064.1 Ų64.10%033%0.333CS..EExtended strand (participates in β ladder)trans-148-177.6179.900000112.2V99 R125V99-G139 PolarHBondContact N-O 3.28Å; V99-G139 PolarHBondContact O-N 3.48Å; R125-G139 CarbonylContact O-C 3.58Å; R125-G139 WeakPolarHBondContact O-CA 3.45Å
140F94.3Very high87.6Confident42 Ų4264.5 Ų64.518%0.18433%0.333CS..EExtended strand (participates in β ladder)trans-135.6138.9177.2-61.6-83.6000110V97 F98 C124 R125 V127 Y138 A171V97-F140 WeakPolarHBondContact O-CA 3.36Å; F98-F140 HydrophobicContact CB-CD1 4.38Å; F98-F140 HydrophobicContact CB-CE1 4.23Å; F98-F140 AromaticContact CD2-CE1 3.87Å; F98-F140 HydrophobicContact CD2-CE1 3.87Å; F98-F140 HydrophobicContact CD2-CZ 4.19Å; C124-F140 CarbonylContact C-O 3.53Å; C124-F140 WeakPolarHBondContact CA-O 3.41Å; R125-F140 HydrophobicContact CG-CB 4.46Å; R125-F140 PolarHBondContact N-O 3.27Å; R125-F140 VanDerWaalsContact NH2-CD2 3.35Å; R125-F140 PolarHBondContact O-N 3.23Å; V127-F140 HydrophobicContact CG2-CD2 3.92Å; V127-F140 HydrophobicContact CG2-CE2 3.71Å; Y138-F140 HydrophobicContact CD2-CE2 4.05Å; Y138-F140 HydrophobicContact CD2-CZ 4.27Å; Y138-F140 AromaticContact CE2-CE2 3.87Å; Y138-F140 HydrophobicContact CE2-CE2 3.87Å; Y138-F140 HydrophobicContact CE2-CZ 4.14Å; F140-A171 HydrophobicContact CD1-CB 3.71Å; F140-A171 HydrophobicContact CE1-CB 3.85Å
141V94.4Very high88.6Confident0 Ų058 Ų580%030%0.302CS..EExtended strand (participates in β ladder)trans-121.1136.3171.2-174.80000107.6H96 V97 V99 I111 F115 I121 F143H96-V141 CarbonylContact C-O 3.49Å; H96-V141 WeakPolarHBondContact CA-O 3.38Å; V97-V141 PolarHBondContact N-O 3.28Å; V97-V141 PolarHBondContact O-N 3.03Å; V99-V141 HydrophobicContact CG2-CG2 3.92Å; I111-V141 HydrophobicContact CG2-CG2 3.32Å; F115-V141 HydrophobicContact CB-CG1 4.14Å; F115-V141 HydrophobicContact CB-CG2 4.45Å; F115-V141 HydrophobicContact CD1-CB 4.46Å; F115-V141 HydrophobicContact CD1-CG1 4.41Å; F115-V141 HydrophobicContact CD1-CG2 4.23Å; F115-V141 HydrophobicContact CD2-CG2 4.34Å; F115-V141 HydrophobicContact CG-CG1 4.43Å; F115-V141 HydrophobicContact CG-CG2 4.08Å; I121-V141 HydrophobicContact CD1-CG1 4.01Å; I121-V141 HydrophobicContact CG1-CG1 3.95Å; I121-V141 HydrophobicContact CG2-CG1 4.03Å; V141-F143 HydrophobicContact CB-CE2 4.28Å; V141-F143 HydrophobicContact CG1-CD2 4.18Å; V141-F143 HydrophobicContact CG1-CE2 3.58Å; V141-F143 HydrophobicContact CG1-CZ 3.91Å
142S92.3Very high90Very high2 Ų253.4 Ų53.41%0.01426%0.264CS..EExtended strand (participates in β ladder)trans-118.1131.1-178.5-44.40000108.4F95 H96 I121 S122 D123F95-S142 CarbonylContact O-C 3.59Å; F95-S142 WeakPolarHBondContact O-CA 3.28Å; H96-S142 PolarHBondContact CE1-OG 2.83Å; H96-S142 WeakPolarHBondContact ND1-CB 3.32Å; H96-S142 PolarHBondContact ND1-OG 3.11Å; I121-S142 CarbonylContact C-O 3.52Å; I121-S142 WeakPolarHBondContact CA-O 3.26Å; S122-S142 PolarHBondContact N-O 2.96Å; S122-S142 VanDerWaalsContact OG-CB 3.25Å; S122-S142 WeakPolarHBondContact OG-CB 3.44Å; S122-S142 PolarHBondContact OG-O 2.9Å; D123-S142 WeakPolarHBondContact O-CB 3.3Å; D123-S142 PolarHBondContact O-N 2.89Å; D123-S142 PolarHBondContact O-OG 3.25Å
143F92.4Very high90.9Very high0 Ų050.5 Ų50.50%024%0.244CC..EExtended strand (participates in β ladder)trans-112.9152.5176.8-68.6-91.6000110.6H94 F95 V97 F115 F118 I121 V141 D148 A149 A152H94-F143 WeakPolarHBondContact CB-O 3.48Å; F95-F143 PolarHBondContact N-O 3.45Å; F95-F143 PolarHBondContact O-N 3.4Å; V97-F143 HydrophobicContact CG2-CD2 4.06Å; V97-F143 HydrophobicContact CG2-CE2 3.96Å; F115-F143 HydrophobicContact CB-CZ 4.21Å; F115-F143 HydrophobicContact CD1-CE2 4.33Å; F115-F143 HydrophobicContact CD1-CZ 4.16Å; F118-F143 HydrophobicContact CB-CE1 4.45Å; F118-F143 HydrophobicContact CB-CZ 4.49Å; I121-F143 HydrophobicContact CG1-CD1 4.42Å; I121-F143 HydrophobicContact CG1-CE1 3.93Å; I121-F143 HydrophobicContact CG1-CZ 4.28Å; V141-F143 HydrophobicContact CB-CE2 4.28Å; V141-F143 HydrophobicContact CG1-CD2 4.18Å; V141-F143 HydrophobicContact CG1-CE2 3.58Å; V141-F143 HydrophobicContact CG1-CZ 3.91Å; F143-D148 HydrophobicContact CB-CB 4.26Å; F143-D148 HydrophobicContact CD1-CB 3.74Å; F143-D148 HydrophobicContact CE1-CB 4.36Å; F143-D148 HydrophobicContact CG-CB 4.16Å; F143-A149 HydrophobicContact CB-CB 4.11Å; F143-A149 HydrophobicContact CD2-CB 3.72Å; F143-A149 HydrophobicContact CE2-CB 4.5Å; F143-A149 HydrophobicContact CG-CB 4.17Å; F143-A152 HydrophobicContact CE2-CB 3.9Å; F143-A152 HydrophobicContact CZ-CB 3.8Å
144F88.3Confident91.8Very high67 Ų6754.8 Ų54.829%0.29425%0.252SS..SBendtrans-69.4-34.3171.4-71-80.3000112.2H94 K120 S122H94-F144 AromaticContact CD2-CD1 3.73Å; H94-F144 AromaticContact CE1-CD1 4Å; H94-F144 AromaticContact CE1-CE1 3.71Å; H94-F144 AromaticContact NE2-CD1 3.17Å; H94-F144 WeakPolarHBondContact NE2-CD1 3.15Å; H94-F144 AromaticContact NE2-CE1 3.28Å; H94-F144 VanDerWaalsContact NE2-CE1 3.28Å; H94-F144 WeakPolarHBondContact NE2-CE1 3.38Å; K120-F144 HydrophobicContact CB-CD2 3.96Å; K120-F144 HydrophobicContact CD-CD2 3.8Å; K120-F144 HydrophobicContact CD-CE2 3.83Å; K120-F144 HydrophobicContact CG-CD2 3.72Å; K120-F144 HydrophobicContact CG-CE2 3.82Å; K120-F144 VanDerWaalsContact O-CD2 3.31Å; K120-F144 WeakPolarHBondContact O-CD2 3.27Å; K120-F144 PolarHBondContact O-N 3.37Å; S122-F144 VanDerWaalsContact CB-CE2 3.44Å
145N88.4Confident92.4Very high83 Ų8352.5 Ų52.544%0.44424%0.244SC..SBendtrans-109.9144.7-176.4-53-44.7000111.6D148 A149N145-D148 HydrophobicContact CB-CB 4.22Å; N145-D148 PolarHBondContact ND2-OD1 2.98Å; N145-D148 PolarHBondContact ND2-OD2 3.33Å; N145-A149 PolarHBondContact O-N 3.06Å
146K90Very high92.7Very high110 Ų11052.4 Ų52.448%0.47824%0.24SC..Hα-helixtrans-63.9-42.7174.2-171.3-175.9169.5-168.30111.8F95 D148 A149 E150 W170F95-K146 HydrophobicContact CD1-CB 3.69Å; F95-K146 HydrophobicContact CD1-CG 3.78Å; F95-K146 HydrophobicContact CD2-CB 4.05Å; F95-K146 HydrophobicContact CE1-CB 3.62Å; F95-K146 HydrophobicContact CE1-CD 4.19Å; F95-K146 HydrophobicContact CE1-CG 3.85Å; F95-K146 HydrophobicContact CE2-CB 3.97Å; F95-K146 HydrophobicContact CG-CB 3.91Å; F95-K146 HydrophobicContact CG-CG 4.36Å; F95-K146 HydrophobicContact CZ-CB 3.77Å; F95-K146 HydrophobicContact CZ-CG 4.48Å; K146-D148 PolarHBondContact O-N 3.27Å; K146-A149 PolarHBondContact O-N 2.72Å; K146-E150 WeakPolarHBondContact O-CB 3.26Å; K146-E150 PolarHBondContact O-N 2.87Å; K146-W170 HydrophobicContact CG-CH2 3.95Å; K146-W170 HydrophobicContact CG-CZ2 4.42Å
147W92.5Very high93Very high184 Ų18449.2 Ų49.270%0.69724%0.238SC*.Hα-helixtrans-61-44.3-177.2-172.8-102.9000112.3A149 E150 N151W147-A149 PolarHBondContact O-N 3.31Å; W147-E150 PolarHBondContact O-N 2.88Å; W147-N151 PolarHBondContact NE1-ND2 3.16Å; W147-N151 WeakPolarHBondContact O-CB 3.17Å; W147-N151 PolarHBondContact O-N 2.78Å; W147-N151 PolarHBondContact O-ND2 3.12Å
148D93.5Very high93Very high24 Ų2449.8 Ų49.813%0.12824%0.244CC..Hα-helixtrans-58.8-46.3175.5-57.811.3000111.1F118 G119 F143 N145 K146 A152F118-D148 WeakPolarHBondContact O-CA 3.37Å; F118-D148 VanDerWaalsContact O-CB 3.32Å; F118-D148 WeakPolarHBondContact O-CB 3.39Å; G119-D148 WeakPolarHBondContact CA-OD2 3.49Å; F143-D148 HydrophobicContact CB-CB 4.26Å; F143-D148 HydrophobicContact CD1-CB 3.74Å; F143-D148 HydrophobicContact CE1-CB 4.36Å; F143-D148 HydrophobicContact CG-CB 4.16Å; N145-D148 HydrophobicContact CB-CB 4.22Å; N145-D148 PolarHBondContact ND2-OD1 2.98Å; N145-D148 PolarHBondContact ND2-OD2 3.33Å; K146-D148 PolarHBondContact O-N 3.27Å; D148-A152 VanDerWaalsContact O-CB 3.31Å; D148-A152 WeakPolarHBondContact O-CB 3.48Å; D148-A152 PolarHBondContact O-N 2.93Å
149A92.6Very high93Very high0 Ų051.1 Ų51.10%025%0.253CS..Hα-helixtrans-65.4-38.517700000113F95 V97 F143 N145 K146 W147 A152 I153 W170F95-A149 HydrophobicContact CB-CB 3.86Å; V97-A149 HydrophobicContact CG2-CB 3.76Å; F143-A149 HydrophobicContact CB-CB 4.11Å; F143-A149 HydrophobicContact CD2-CB 3.72Å; F143-A149 HydrophobicContact CE2-CB 4.5Å; F143-A149 HydrophobicContact CG-CB 4.17Å; N145-A149 PolarHBondContact O-N 3.06Å; K146-A149 PolarHBondContact O-N 2.72Å; W147-A149 PolarHBondContact O-N 3.31Å; A149-A152 PolarHBondContact O-N 2.81Å; A149-I153 VanDerWaalsContact O-CG1 3.27Å; A149-I153 WeakPolarHBondContact O-CG1 3.27Å; A149-I153 PolarHBondContact O-N 2.91Å; A149-W170 HydrophobicContact CB-CH2 3.69Å; A149-W170 HydrophobicContact CB-CZ3 3.61Å
150E93.9Very high93Very high59 Ų5959.3 Ų59.328%0.27628%0.284SS..Hα-helixtrans-68.5-43.1178.8-171.8148.5-132.900111.7K146 W147 I153 Q154 W170K146-E150 WeakPolarHBondContact O-CB 3.26Å; K146-E150 PolarHBondContact O-N 2.87Å; W147-E150 PolarHBondContact O-N 2.88Å; E150-I153 PolarHBondContact O-N 3.47Å; E150-Q154 WeakPolarHBondContact O-CG 3.31Å; E150-Q154 PolarHBondContact O-N 3.39Å; E150-W170 HydrophobicContact CB-CH2 4.25Å; E150-W170 HydrophobicContact CB-CZ2 3.93Å; E150-W170 HydrophobicContact CG-CZ2 4.33Å
151N95.6Very high92.9Very high39 Ų3958.7 Ų58.721%0.20928%0.282CS..Hα-helixtrans-62.2-44.8171.4-78.9-64.1000112.1W147 I153 Q154 Q155W147-N151 PolarHBondContact NE1-ND2 3.16Å; W147-N151 WeakPolarHBondContact O-CB 3.17Å; W147-N151 PolarHBondContact O-N 2.78Å; W147-N151 PolarHBondContact O-ND2 3.12Å; N151-I153 VanDerWaalsContact C-N 3.3Å; N151-I153 PolarHBondContact O-N 2.88Å; N151-Q154 PolarHBondContact O-N 3.07Å; N151-Q155 WeakPolarHBondContact O-CB 3.25Å; N151-Q155 WeakPolarHBondContact O-CG 3.33Å; N151-Q155 PolarHBondContact O-N 3.09Å
152A95.1Very high92.5Very high0 Ų060 Ų600%030%0.295CS..Hα-helixtrans-60.3-40.2175.800000111.7F115 F118 F143 D148 A149 M156F115-A152 HydrophobicContact CD1-CB 3.96Å; F115-A152 HydrophobicContact CE1-CB 4.18Å; F118-A152 HydrophobicContact CB-CB 3.82Å; F118-A152 HydrophobicContact CD2-CB 4.14Å; F118-A152 HydrophobicContact CG-CB 3.92Å; F143-A152 HydrophobicContact CE2-CB 3.9Å; F143-A152 HydrophobicContact CZ-CB 3.8Å; D148-A152 VanDerWaalsContact O-CB 3.31Å; D148-A152 WeakPolarHBondContact O-CB 3.48Å; D148-A152 PolarHBondContact O-N 2.93Å; A149-A152 PolarHBondContact O-N 2.81Å; A152-M156 VanDerWaalsContact O-CB 3.24Å; A152-M156 WeakPolarHBondContact O-CB 3.23Å; A152-M156 PolarHBondContact O-N 2.79Å
153I95.3Very high92.3Very high28 Ų2862.9 Ų62.914%0.14433%0.326CS..Hα-helixtrans-61.4-50.1175-72.8161.9000110.8V97 A149 E150 N151 G157 T168 W170V97-I153 HydrophobicContact CB-CG1 4.36Å; V97-I153 HydrophobicContact CG1-CD1 4.41Å; V97-I153 HydrophobicContact CG1-CG1 3.69Å; V97-I153 HydrophobicContact CG2-CD1 4.02Å; V97-I153 HydrophobicContact CG2-CG1 3.88Å; A149-I153 VanDerWaalsContact O-CG1 3.27Å; A149-I153 WeakPolarHBondContact O-CG1 3.27Å; A149-I153 PolarHBondContact O-N 2.91Å; E150-I153 PolarHBondContact O-N 3.47Å; N151-I153 VanDerWaalsContact C-N 3.3Å; N151-I153 PolarHBondContact O-N 2.88Å; I153-G157 PolarHBondContact O-N 2.88Å; I153-T168 PolarHBondContact O-OG1 3.36Å; I153-W170 HydrophobicContact CD1-CD2 3.44Å; I153-W170 VanDerWaalsContact CD1-CD2 3.44Å; I153-W170 HydrophobicContact CD1-CE3 3.72Å; I153-W170 HydrophobicContact CD1-CG 3.83Å; I153-W170 HydrophobicContact CD1-CH2 4.22Å; I153-W170 HydrophobicContact CD1-CZ2 4Å; I153-W170 HydrophobicContact CD1-CZ3 4.09Å
154Q94Very high92.3Very high138 Ų13868.1 Ų68.165%0.64535%0.346SS*.Hα-helixtrans-66.8-42.5-176.1-68.7177.837.800113E150 N151E150-Q154 WeakPolarHBondContact O-CG 3.31Å; E150-Q154 PolarHBondContact O-N 3.39Å; N151-Q154 PolarHBondContact O-N 3.07Å
155Q94.1Very high92.6Very high105 Ų10570.1 Ų70.149%0.49136%0.356SS..Hα-helixtrans-86.1-32-172.1-65.3-175.656.800113.7F118 N151 Q159F118-Q155 HydrophobicContact CD1-CB 4.39Å; F118-Q155 HydrophobicContact CE1-CB 3.57Å; F118-Q155 HydrophobicContact CE1-CG 4.21Å; F118-Q155 HydrophobicContact CZ-CB 4.1Å; N151-Q155 WeakPolarHBondContact O-CB 3.25Å; N151-Q155 WeakPolarHBondContact O-CG 3.33Å; N151-Q155 PolarHBondContact O-N 3.09Å; Q155-Q159 WeakPolarHBondContact O-CG 3.4Å; Q155-Q159 PolarHBondContact O-NE2 2.98Å
156M94.9Very high92.9Very high23 Ų2366.3 Ų66.311%0.11334%0.335CS..Hα-helixtrans-89.9-7.8178.6-64.2-61.4-74.300114A114 F115 F118 A152 G158 Q159 I166 T168A114-M156 HydrophobicContact CB-CE 4.05Å; F115-M156 HydrophobicContact CE1-CB 4.1Å; F115-M156 HydrophobicContact CE1-CG 4.13Å; F115-M156 HydrophobicContact CE2-CE 4.17Å; F115-M156 HydrophobicContact CE2-CG 4.47Å; F115-M156 HydrophobicContact CZ-CB 3.85Å; F115-M156 HydrophobicContact CZ-CG 4.09Å; F118-M156 HydrophobicContact CD2-CG 4.13Å; F118-M156 HydrophobicContact CE2-CG 3.31Å; F118-M156 HydrophobicContact CE2-SD 3.51Å; F118-M156 VanDerWaalsContact CE2-SD 3.51Å; F118-M156 HydrophobicContact CZ-CG 3.56Å; F118-M156 HydrophobicContact CZ-SD 3.56Å; F118-M156 VanDerWaalsContact CZ-SD 3.56Å; A152-M156 VanDerWaalsContact O-CB 3.24Å; A152-M156 WeakPolarHBondContact O-CB 3.23Å; A152-M156 PolarHBondContact O-N 2.79Å; M156-G158 PolarHBondContact O-N 3.21Å; M156-Q159 HydrophobicContact CE-CB 4.39Å; M156-Q159 PolarHBondContact O-N 3.46Å; M156-Q159 HydrophobicContact SD-CB 4.4Å; M156-Q159 HydrophobicContact SD-CG 4.17Å; M156-I166 HydrophobicContact CB-CD1 4.35Å; M156-I166 HydrophobicContact CE-CD1 3.96Å; M156-I166 WeakPolarHBondContact O-CG1 3.28Å; M156-T168 HydrophobicContact CB-CG2 3.77Å
157G93.9Very high93.2Very high40 Ų4067.8 Ų67.841%0.41234%0.338SS..THydrogen-bonded Turntrans-64.8115.4176.200000111.7I153 Q159 T168I153-G157 PolarHBondContact O-N 2.88Å; G157-Q159 VanDerWaalsContact C-N 3.33Å; G157-T168 WeakPolarHBondContact CA-OG1 3.24Å; G157-T168 PolarHBondContact N-OG1 3.06Å; G157-T168 VanDerWaalsContact N-OG1 3.15Å
158G91.1Very high93.3Very high31 Ų3159.4 Ų59.432%0.3231%0.307SS..THydrogen-bonded Turntrans82.43.5-177.900000115M156 Q165 I166M156-G158 PolarHBondContact O-N 3.21Å; G158-Q165 WeakPolarHBondContact O-CG 3.42Å; G158-Q165 PolarHBondContact O-NE2 3.42Å; G158-I166 WeakPolarHBondContact CA-O 3.4Å; G158-I166 PolarHBondContact N-O 2.9Å
159Q94.4Very high93.4Very high98 Ų9861.6 Ų61.646%0.45832%0.319SS..  trans-72.6151176.1-67.5-61.6-14.900112.2Q155 M156 G157 Q165 I166Q155-Q159 WeakPolarHBondContact O-CG 3.4Å; Q155-Q159 PolarHBondContact O-NE2 2.98Å; M156-Q159 HydrophobicContact CE-CB 4.39Å; M156-Q159 PolarHBondContact O-N 3.46Å; M156-Q159 HydrophobicContact SD-CB 4.4Å; M156-Q159 HydrophobicContact SD-CG 4.17Å; G157-Q159 VanDerWaalsContact C-N 3.33Å; Q159-Q165 CarbonylContact O-C 3.27Å; Q159-Q165 VanDerWaalsContact O-CA 3.31Å; Q159-Q165 WeakPolarHBondContact O-CA 3.12Å; Q159-I166 PolarHBondContact O-N 2.87Å
160W93Very high93.5Very high172 Ų17266.6 Ų66.665%0.65234%0.338SS*.EExtended strand (participates in β ladder)trans-82.7124.9179.5-70.278.1000111.5G163 R164 Q165W160-G163 WeakPolarHBondContact CZ3-O 3.49Å; W160-R164 CarbonylContact C-O 3.53Å; W160-R164 WeakPolarHBondContact CA-O 3.24Å; W160-Q165 HydrophobicContact CD2-CG 3.81Å; W160-Q165 VanDerWaalsContact CE2-CG 3.45Å; W160-Q165 HydrophobicContact CE3-CG 4.47Å; W160-Q165 HydrophobicContact CG-CG 4.07Å; W160-Q165 HydrophobicContact CZ2-CG 3.86Å
161L91.6Very high93.2Very high29 Ų2964.8 Ų64.815%0.15233%0.333CS..EExtended strand (participates in β ladder)trans-141.7118.8174.9-171.768.3000109.1L102 I106 I111 A114 R164 I166L102-L161 HydrophobicContact CD2-CD2 4.39Å; I106-L161 HydrophobicContact CD1-CD1 4.35Å; I106-L161 HydrophobicContact CD1-CD2 4.44Å; I106-L161 HydrophobicContact CD1-CG 3.83Å; I106-L161 HydrophobicContact CG1-CG 4.33Å; I106-L161 HydrophobicContact CG2-CD2 4.32Å; I111-L161 HydrophobicContact CG1-CD2 4.42Å; A114-L161 HydrophobicContact CB-CD1 3.99Å; A114-L161 HydrophobicContact CB-CD2 4.35Å; L161-R164 PolarHBondContact N-O 3.06Å; L161-R164 PolarHBondContact O-N 3.34Å; L161-I166 HydrophobicContact CB-CD1 4.42Å; L161-I166 HydrophobicContact CB-CG2 3.64Å; L161-I166 HydrophobicContact CD2-CD1 4.26Å; L161-I166 HydrophobicContact CD2-CG2 4.26Å
162G85.2Confident92.4Very high27 Ų2768.4 Ų68.428%0.27836%0.356SS..THydrogen-bonded Turntrans61.147.2-175.600000112.8S103 R164S103-G162 WeakPolarHBondContact CB-O 3.48Å; S103-G162 PolarHBondContact OG-O 2.97Å; G162-R164 PolarHBondContact O-N 3.29Å
163G88.2Confident90.8Very high63 Ų6375.8 Ų75.865%0.64938%0.384SS*.THydrogen-bonded Turntrans66.410.7177.700000116W160W160-G163 WeakPolarHBondContact CZ3-O 3.49Å
164R92Very high88.7Confident111 Ų11183.1 Ų83.142%0.41942%0.415SS..EExtended strand (participates in β ladder)trans-133.4148.9175.9-71.7175.557.4143.24.9111.3D101 W160 L161 G162D101-R164 PolarHBondContact O-NE 3.02Å; D101-R164 PolarHBondContact O-NH2 3.28Å; W160-R164 CarbonylContact C-O 3.53Å; W160-R164 WeakPolarHBondContact CA-O 3.24Å; L161-R164 PolarHBondContact N-O 3.06Å; L161-R164 PolarHBondContact O-N 3.34Å; G162-R164 PolarHBondContact O-N 3.29Å
165Q94.7Very high86.2Confident108 Ų10881.3 Ų81.351%0.50542%0.416SS..EExtended strand (participates in β ladder)trans-75.8128.7169.8-65.1-174.8-81.700110.1G158 Q159 W160G158-Q165 WeakPolarHBondContact O-CG 3.42Å; G158-Q165 PolarHBondContact O-NE2 3.42Å; Q159-Q165 CarbonylContact O-C 3.27Å; Q159-Q165 VanDerWaalsContact O-CA 3.31Å; Q159-Q165 WeakPolarHBondContact O-CA 3.12Å; W160-Q165 HydrophobicContact CD2-CG 3.81Å; W160-Q165 VanDerWaalsContact CE2-CG 3.45Å; W160-Q165 HydrophobicContact CE3-CG 4.47Å; W160-Q165 HydrophobicContact CG-CG 4.07Å; W160-Q165 HydrophobicContact CZ2-CG 3.86Å
166I96.1Very high83.5Confident3 Ų380.1 Ų80.12%0.01542%0.423CS..  trans-91.9151-179.370.3-177.5000111.7V99 G100 L102 F115 M156 G158 Q159 L161V99-I166 HydrophobicContact CG1-CB 4.23Å; V99-I166 HydrophobicContact CG1-CD1 4.01Å; V99-I166 HydrophobicContact CG1-CG1 4.47Å; G100-I166 WeakPolarHBondContact O-CA 3.32Å; L102-I166 HydrophobicContact CD2-CG2 3.91Å; F115-I166 HydrophobicContact CE2-CD1 3.98Å; F115-I166 HydrophobicContact CZ-CD1 4.11Å; M156-I166 HydrophobicContact CB-CD1 4.35Å; M156-I166 HydrophobicContact CE-CD1 3.96Å; M156-I166 WeakPolarHBondContact O-CG1 3.28Å; G158-I166 WeakPolarHBondContact CA-O 3.4Å; G158-I166 PolarHBondContact N-O 2.9Å; Q159-I166 PolarHBondContact O-N 2.87Å; L161-I166 HydrophobicContact CB-CD1 4.42Å; L161-I166 HydrophobicContact CB-CG2 3.64Å; L161-I166 HydrophobicContact CD2-CD1 4.26Å; L161-I166 HydrophobicContact CD2-CG2 4.26Å
167R94.8Very high80.8Confident142 Ų14285 Ų8554%0.53646%0.457SS..EExtended strand (participates in β ladder)trans-109.9110.9176-179.8179.7173171.63.2111V99 G100 D101 N169V99-R167 CarbonylContact C-O 3.56Å; V99-R167 WeakPolarHBondContact CA-O 3.26Å; G100-R167 PolarHBondContact N-O 2.77Å; G100-R167 PolarHBondContact O-N 3.25Å; D101-R167 VanDerWaalsContact OD2-CB 3.24Å; D101-R167 WeakPolarHBondContact OD2-CB 3.31Å; R167-N169 PolarHBondContact NE-ND2 3.26Å
168T95.9Very high78.2Confident8 Ų892 Ų925%0.04948%0.476CS..EExtended strand (participates in β ladder)trans-91.3141.517148.70000111.6V97 F98 F115 I153 M156 G157V97-T168 HydrophobicContact CG1-CG2 4.3Å; F98-T168 WeakPolarHBondContact O-CA 3.04Å; F115-T168 HydrophobicContact CE1-CG2 3.9Å; F115-T168 HydrophobicContact CZ-CG2 3.64Å; I153-T168 PolarHBondContact O-OG1 3.36Å; M156-T168 HydrophobicContact CB-CG2 3.77Å; G157-T168 WeakPolarHBondContact CA-OG1 3.24Å; G157-T168 PolarHBondContact N-OG1 3.06Å; G157-T168 VanDerWaalsContact N-OG1 3.15Å
169N94.9Very high75.6Confident70 Ų7096.8 Ų96.837%0.37450%0.499SS..EExtended strand (participates in β ladder)trans-157.2166.2172.8-96.8-92.8000109.3V97 F98 R167 A171V97-N169 CarbonylContact C-O 3.59Å; V97-N169 WeakPolarHBondContact CA-O 3.49Å; F98-N169 HydrophobicContact CD1-CB 4.41Å; F98-N169 PolarHBondContact N-O 2.71Å; F98-N169 PolarHBondContact O-N 3.04Å; R167-N169 PolarHBondContact NE-ND2 3.26Å; N169-A171 PolarHBondContact O-N 3.23Å
170W94Very high73Confident104 Ų10497.6 Ų97.639%0.39451%0.511SS..EExtended strand (participates in β ladder)trans-61132.4166.3-70.7113.9000110.6F95 K146 A149 E150 I153 T172F95-W170 HydrophobicContact CB-CZ3 4.13Å; K146-W170 HydrophobicContact CG-CH2 3.95Å; K146-W170 HydrophobicContact CG-CZ2 4.42Å; A149-W170 HydrophobicContact CB-CH2 3.69Å; A149-W170 HydrophobicContact CB-CZ3 3.61Å; E150-W170 HydrophobicContact CB-CH2 4.25Å; E150-W170 HydrophobicContact CB-CZ2 3.93Å; E150-W170 HydrophobicContact CG-CZ2 4.33Å; I153-W170 HydrophobicContact CD1-CD2 3.44Å; I153-W170 VanDerWaalsContact CD1-CD2 3.44Å; I153-W170 HydrophobicContact CD1-CE3 3.72Å; I153-W170 HydrophobicContact CD1-CG 3.83Å; I153-W170 HydrophobicContact CD1-CH2 4.22Å; I153-W170 HydrophobicContact CD1-CZ2 4Å; I153-W170 HydrophobicContact CD1-CZ3 4.09Å; W170-T172 PolarHBondContact O-N 3.36Å
171A88.6Confident70.2Confident21 Ų2196.5 Ų96.517%0.17452%0.518CS..  trans-75.2115.8-178.600000111.1H96 F98 F140 N169 R173H96-A171 HydrophobicContact CB-CB 3.58Å; H96-A171 WeakPolarHBondContact O-CB 3.4Å; H96-A171 PolarHBondContact O-N 3.41Å; F98-A171 HydrophobicContact CB-CB 4.12Å; F140-A171 HydrophobicContact CD1-CB 3.71Å; F140-A171 HydrophobicContact CE1-CB 3.85Å; N169-A171 PolarHBondContact O-N 3.23Å; A171-R173 PolarHBondContact O-N 2.66Å
172T79Confident67.7Low115 Ų115103.7 Ų103.771%0.70655%0.551SS**  trans-75.3114.5171.149.30000110W170 K174W170-T172 PolarHBondContact O-N 3.36Å; T172-K174 PolarHBondContact O-N 2.87Å
173R62.1Low65.3Low156 Ų156108.4 Ų108.459%0.58957%0.574SS**  trans-69.183.1167.5-72.8180172.5-119.53.5108.7T91 H96 A171 P175T91-R173 PolarHBondContact O-NH2 2.9Å; H96-R173 PolarHBondContact NE2-NH2 3.46Å; A171-R173 PolarHBondContact O-N 2.66Å; R173-P175 WeakPolarHBondContact O-CD 3.33Å
174K51.1Low63.1Low181 Ų181109 Ų10979%0.78757%0.573SS**PPolyproline II helixtrans-56.5121.4163.6-75-172.5177.1-177.80107.1T172 A176T172-K174 PolarHBondContact O-N 2.87Å; K174-A176 PolarHBondContact O-N 3.3Å
175P40.1Very low60.6Low101 Ų101108.3 Ų108.366%0.65659%0.585SS**PPolyproline II helixtrans-56.1137.2169.624.8-32.5000107.6R173R173-P175 WeakPolarHBondContact O-CD 3.33Å
176A37.8Very low58.2Low79 Ų79106.3 Ų106.365%0.65358%0.58SS**PPolyproline II helixtrans-52.9139.1-173.100000110.5K174 K178K174-A176 PolarHBondContact O-N 3.3Å; A176-K178 PolarHBondContact O-N 2.92Å
177P38.2Very low56.1Low126 Ų126114 Ų11482%0.81861%0.613SS**  trans-62.7102.6177.426.1-33000108.8T179P177-T179 PolarHBondContact O-N 3.49Å
178K39.9Very low54.1Low187 Ų187115.9 Ų115.981%0.81363%0.629SS**  trans-71116173-67.7-173.4178.4-174.60107.8A176 T180A176-K178 PolarHBondContact O-N 2.92Å; K178-T180 PolarHBondContact O-N 2.91Å; K178-T180 VanDerWaalsContact O-N 3.07Å
179T37Very low52.9Low132 Ų132117.6 Ų117.681%0.8164%0.637SS**  trans-71101.7179-25.60000110.4P177P177-T179 PolarHBondContact O-N 3.49Å
180T39.1Very low52.2Low114 Ų114116.7 Ų116.770%0.69964%0.637SS**SBendtrans46.683.7142.4-39.50000117.8K178K178-T180 PolarHBondContact O-N 2.91Å; K178-T180 VanDerWaalsContact O-N 3.07Å
181N35Very low51.7Low149 Ų149114.3 Ų114.380%0.79763%0.629SS**  -178.4163.6112.5-95.4-9.3000112.6T183N181-T183 PolarHBondContact O-N 3.17Å
182E37.6Very low51.3Low181 Ų181118 Ų11885%0.84665%0.646SS**  trans-33.9118.4-172.1-63.9171.79500117.7
183T35.8Very low51.7Low126 Ų126118.4 Ų118.477%0.77364%0.64SS**  -168.4146105.1-67.80000106.7N181 S185N181-T183 PolarHBondContact O-N 3.17Å; T183-S185 VanDerWaalsContact C-N 3.35Å; T183-S185 PolarHBondContact O-N 3.46Å
184A41.2Very low52.9Low74 Ų74111 Ų11161%0.61261%0.612SS**  trans-6293.6179.200000110.8T186A184-T186 PolarHBondContact O-N 3.29Å
185S39.7Very low54.5Low98 Ų98104.1 Ų104.169%0.68558%0.584SS**  trans-68.487.4165.3-670000107.7T183 K187T183-S185 VanDerWaalsContact C-N 3.35Å; T183-S185 PolarHBondContact O-N 3.46Å; S185-K187 PolarHBondContact O-N 3.29Å
186T45.5Very low56.8Low66 Ų66105.6 Ų105.641%0.40559%0.586SS.*  trans-46105.4161.8-59.80000107.3A184 Q188 N259A184-T186 PolarHBondContact O-N 3.29Å; T186-Q188 PolarHBondContact O-N 3.24Å; T186-N259 WeakPolarHBondContact CG2-O 3.35Å
187K50.2Low59Low163 Ų163107.8 Ų107.871%0.70958%0.583SS**  trans-58.1115.5159.9-72.7-177176.1-175.50104.5S185 L189S185-K187 PolarHBondContact O-N 3.29Å; K187-L189 PolarHBondContact O-N 3.13Å
188Q54.4Low61.3Low183 Ų183103.2 Ų103.286%0.85555%0.554SS**  trans-54.2115.5164.5-78.2-178.4-51.600106.1T186 S190T186-Q188 PolarHBondContact O-N 3.24Å; Q188-S190 PolarHBondContact O-N 3.22Å
189L68.8Low63.4Low43 Ų4397.5 Ų97.523%0.22554%0.537CS..  trans-66.9131.2174.8-65.1175.4000106.7K187 V194 I255 V256 N259K187-L189 PolarHBondContact O-N 3.13Å; L189-V194 HydrophobicContact CB-CG2 3.6Å; L189-V194 HydrophobicContact CD1-CG2 3.82Å; L189-V194 HydrophobicContact CG-CG2 4.25Å; L189-I255 HydrophobicContact CD1-CG2 3.97Å; L189-V256 HydrophobicContact CB-CG2 4.22Å; L189-V256 VanDerWaalsContact O-CG1 3.28Å; L189-V256 WeakPolarHBondContact O-CG1 3.25Å; L189-N259 HydrophobicContact CD1-CB 4.2Å; L189-N259 VanDerWaalsContact CD1-ND2 3.33Å; L189-N259 WeakPolarHBondContact CD1-ND2 3.4Å
190S81Confident65.4Low52 Ų5298.5 Ų98.536%0.36454%0.537SS..  trans-68.2141.8172.3-171.40000109.4Q188 D192 E193 V194Q188-S190 PolarHBondContact O-N 3.22Å; S190-D192 VanDerWaalsContact C-N 3.33Å; S190-D192 PolarHBondContact O-N 3.02Å; S190-E193 WeakPolarHBondContact CB-OE2 3.46Å; S190-E193 PolarHBondContact N-OE2 3.27Å; S190-E193 PolarHBondContact O-N 2.78Å; S190-V194 PolarHBondContact O-N 2.78Å
191F83.4Confident67.5Low54 Ų5496.5 Ų96.524%0.23753%0.527CS..Hα-helixtrans-58.3-46.4177.5175.8-101.2000111.4E193 V194 L195 E249 A252 H253 V256F191-E193 VanDerWaalsContact C-N 3.29Å; F191-E193 PolarHBondContact O-N 2.88Å; F191-V194 PolarHBondContact O-N 2.97Å; F191-V194 VanDerWaalsContact O-N 3.15Å; F191-L195 HydrophobicContact CE1-CD1 4.47Å; F191-L195 HydrophobicContact CE1-CD2 3.99Å; F191-L195 HydrophobicContact CE2-CD1 4.43Å; F191-L195 HydrophobicContact CZ-CD1 3.95Å; F191-L195 HydrophobicContact CZ-CD2 4.27Å; F191-L195 WeakPolarHBondContact O-CB 3.25Å; F191-L195 PolarHBondContact O-N 3.15Å; F191-E249 HydrophobicContact CZ-CB 4.46Å; F191-A252 HydrophobicContact CD2-CB 4.16Å; F191-A252 HydrophobicContact CE2-CB 3.67Å; F191-A252 HydrophobicContact CZ-CB 4.41Å; F191-H253 AromaticContact CD2-CE1 3.55Å; F191-H253 AromaticContact CD2-CG 3.89Å; F191-H253 AromaticContact CD2-ND1 3.48Å; F191-H253 WeakPolarHBondContact CD2-ND1 3.16Å; F191-H253 HydrophobicContact CE2-CB 4.36Å; F191-H253 AromaticContact CE2-CD2 3.42Å; F191-H253 VanDerWaalsContact CE2-CD2 3.42Å; F191-H253 WeakPolarHBondContact CE2-CD2 3.42Å; F191-H253 AromaticContact CE2-CE1 3.43Å; F191-H253 VanDerWaalsContact CE2-CE1 3.43Å; F191-H253 WeakPolarHBondContact CE2-CE1 3.47Å; F191-H253 AromaticContact CE2-CG 3.51Å; F191-H253 AromaticContact CE2-ND1 3.53Å; F191-H253 AromaticContact CE2-NE2 3.39Å; F191-H253 WeakPolarHBondContact CE2-NE2 3.4Å; F191-H253 AromaticContact CZ-CD2 3.93Å; F191-H253 AromaticContact CZ-CE1 3.91Å; F191-H253 AromaticContact CZ-NE2 3.58Å; F191-V256 HydrophobicContact CB-CG2 4.46Å
192D81.3Confident70Confident99 Ų9989.7 Ų89.753%0.52949%0.491SS..Hα-helixtrans-61.7-35.7177-57.1-80.2000112.8S190 N196S190-D192 VanDerWaalsContact C-N 3.33Å; S190-D192 PolarHBondContact O-N 3.02Å; D192-N196 WeakPolarHBondContact O-CB 3.38Å; D192-N196 PolarHBondContact O-N 2.97Å; D192-N196 PolarHBondContact O-ND2 2.86Å
193E86Confident72.7Confident123 Ų12382 Ų8258%0.57546%0.457SS*.Hα-helixtrans-67.8-38.5176.6-71.9177.214500111.4S190 F191 Q197S190-E193 WeakPolarHBondContact CB-OE2 3.46Å; S190-E193 PolarHBondContact N-OE2 3.27Å; S190-E193 PolarHBondContact O-N 2.78Å; F191-E193 VanDerWaalsContact C-N 3.29Å; F191-E193 PolarHBondContact O-N 2.88Å; E193-Q197 VanDerWaalsContact O-CG 3.26Å; E193-Q197 WeakPolarHBondContact O-CG 3.44Å; E193-Q197 PolarHBondContact O-NE2 2.86Å
194V86.9Confident75.5Confident1 Ų177.3 Ų77.31%0.00643%0.428CS..Hα-helixtrans-75.2-44.3179.51730000111.4L189 S190 F191 N196 Q197 A252 I255 V256 W272L189-V194 HydrophobicContact CB-CG2 3.6Å; L189-V194 HydrophobicContact CD1-CG2 3.82Å; L189-V194 HydrophobicContact CG-CG2 4.25Å; S190-V194 PolarHBondContact O-N 2.78Å; F191-V194 PolarHBondContact O-N 2.97Å; F191-V194 VanDerWaalsContact O-N 3.15Å; V194-N196 VanDerWaalsContact C-N 3.34Å; V194-N196 PolarHBondContact O-N 2.88Å; V194-Q197 WeakPolarHBondContact O-CB 3.13Å; V194-Q197 PolarHBondContact O-N 2.85Å; V194-Q197 VanDerWaalsContact O-N 3.15Å; V194-A252 HydrophobicContact CG1-CB 4.04Å; V194-I255 HydrophobicContact CG1-CB 3.84Å; V194-I255 HydrophobicContact CG1-CD1 4.13Å; V194-I255 HydrophobicContact CG1-CG2 3.6Å; V194-I255 HydrophobicContact CG2-CG2 4.15Å; V194-V256 HydrophobicContact CB-CG2 4Å; V194-V256 HydrophobicContact CG1-CG2 4.44Å; V194-V256 HydrophobicContact CG2-CG2 3.73Å; V194-W272 HydrophobicContact CG1-CZ2 4.12Å; V194-W272 PolarHBondContact O-NE1 3.42Å
195L85.8Confident78.1Confident36 Ų3673.8 Ų73.819%0.18840%0.399CS..Hα-helixtrans-56.7-49.5179.3-163.475.2000110.5F191 Q197 H248 E249 A252F191-L195 HydrophobicContact CE1-CD1 4.47Å; F191-L195 HydrophobicContact CE1-CD2 3.99Å; F191-L195 HydrophobicContact CE2-CD1 4.43Å; F191-L195 HydrophobicContact CZ-CD1 3.95Å; F191-L195 HydrophobicContact CZ-CD2 4.27Å; F191-L195 WeakPolarHBondContact O-CB 3.25Å; F191-L195 PolarHBondContact O-N 3.15Å; L195-Q197 PolarHBondContact O-N 2.85Å; L195-Q197 VanDerWaalsContact O-N 3.15Å; L195-H248 WeakPolarHBondContact CD1-CD2 3.46Å; L195-H248 PolarHBondContact O-NE2 3.09Å; L195-H248 VanDerWaalsContact O-NE2 3.15Å; L195-E249 HydrophobicContact CD1-CG 4.26Å; L195-A252 HydrophobicContact CB-CB 4.33Å; L195-A252 HydrophobicContact CD1-CB 3.62Å
196N87.6Confident80.7Confident132 Ų13272.4 Ų72.471%0.70638%0.379SS*.THydrogen-bonded Turntrans-74.4-0.4-179-68.7-70.4000115.1D192 V194D192-N196 WeakPolarHBondContact O-CB 3.38Å; D192-N196 PolarHBondContact O-N 2.97Å; D192-N196 PolarHBondContact O-ND2 2.86Å; V194-N196 VanDerWaalsContact C-N 3.34Å; V194-N196 PolarHBondContact O-N 2.88Å
197Q85.4Confident83.1Confident125 Ų12569.3 Ų69.358%0.58436%0.36SS*.THydrogen-bonded Turntrans-81.8-11.5176.9-87.7166.962.100114.3E193 V194 L195E193-Q197 VanDerWaalsContact O-CG 3.26Å; E193-Q197 WeakPolarHBondContact O-CG 3.44Å; E193-Q197 PolarHBondContact O-NE2 2.86Å; V194-Q197 WeakPolarHBondContact O-CB 3.13Å; V194-Q197 PolarHBondContact O-N 2.85Å; V194-Q197 VanDerWaalsContact O-N 3.15Å; L195-Q197 PolarHBondContact O-N 2.85Å; L195-Q197 VanDerWaalsContact O-N 3.15Å
198S86.4Confident85.1Confident30 Ų3061.7 Ų61.721%0.2133%0.328CS..SBendtrans-141.2162-179.5-151.80000112.1N202S198-N202 WeakPolarHBondContact OG-CB 3.21Å; S198-N202 PolarHBondContact OG-ND2 3.06Å
199S82.9Confident86.7Confident66 Ų6654.6 Ų54.646%0.46230%0.304SS..  trans-60.1145.6173.5-54.40000110.8S201 N202 H248S199-S201 WeakPolarHBondContact CB-OG 3.49Å; S199-S201 PolarHBondContact O-N 2.78Å; S199-N202 WeakPolarHBondContact O-CB 3.33Å; S199-N202 PolarHBondContact O-N 2.79Å; S199-H248 PolarHBondContact O-CE1 3.06Å; S199-H248 PolarHBondContact O-ND1 3.37Å
200L79.3Confident87.7Confident154 Ų15452.6 Ų52.681%0.80629%0.293SS*.THydrogen-bonded Turntrans-61.5-13.4175.2-68.986.3000113.4
201S83.4Confident87.8Confident72 Ų7254.7 Ų54.750%0.50330%0.304SS..THydrogen-bonded Turntrans-74.6-23.317156.10000113.8S199 C203 E275S199-S201 WeakPolarHBondContact CB-OG 3.49Å; S199-S201 PolarHBondContact O-N 2.78Å; S201-C203 PolarHBondContact O-N 2.97Å; S201-E275 PolarHBondContact OG-OE1 3.34Å
202N88.1Confident87.9Confident6 Ų659.2 Ų59.23%0.03233%0.326CS..  trans-87.2104.8-174.6-171.55.2000110.8S198 S199 T204 H248 W272 G273S198-N202 WeakPolarHBondContact OG-CB 3.21Å; S198-N202 PolarHBondContact OG-ND2 3.06Å; S199-N202 WeakPolarHBondContact O-CB 3.33Å; S199-N202 PolarHBondContact O-N 2.79Å; N202-T204 WeakPolarHBondContact OD1-CB 3.06Å; N202-T204 PolarHBondContact OD1-N 3.43Å; N202-H248 PolarHBondContact O-ND1 2.76Å; N202-W272 WeakPolarHBondContact O-CZ3 3.49Å; N202-G273 PolarHBondContact ND2-O 3.48Å
203C92.8Very high88Confident19 Ų1956.7 Ų56.713%0.12832%0.324CS..  trans-103.617.8173.9-50.30000112.6S201 R244 F245 S247 H248S201-C203 PolarHBondContact O-N 2.97Å; C203-R244 WeakPolarHBondContact O-CA 3.38Å; C203-F245 WeakPolarHBondContact CB-O 3.31Å; C203-F245 PolarHBondContact O-N 2.8Å; C203-S247 VanDerWaalsContact SG-C 3.54Å; C203-H248 PolarHBondContact SG-N 3.43Å; C203-H248 VanDerWaalsContact SG-N 3.4Å
204T94.8Very high88.3Confident27 Ų2751.4 Ų51.417%0.16630%0.299CS..EExtended strand (participates in β ladder)trans-104.1122.4-172.8-49.20000111.9N202 F242 G273N202-T204 WeakPolarHBondContact OD1-CB 3.06Å; N202-T204 PolarHBondContact OD1-N 3.43Å; T204-F242 HydrophobicContact CG2-CB 4.12Å; T204-F242 HydrophobicContact CG2-CD1 4.11Å; T204-G273 PolarHBondContact O-N 3.43Å
205V95.5Very high88.6Confident0 Ų054.7 Ų54.70%032%0.319CS..EExtended strand (participates in β ladder)trans-96.3127.8172-178.80000109.4F223 F242 V243 F245 A251 A254 I255 C270V205-F223 HydrophobicContact CG1-CE1 4.16Å; V205-F223 HydrophobicContact CG1-CZ 4.5Å; V205-F242 CarbonylContact O-C 3.57Å; V205-F242 VanDerWaalsContact O-CA 3.28Å; V205-F242 WeakPolarHBondContact O-CA 3.41Å; V205-V243 PolarHBondContact N-O 2.75Å; V205-V243 PolarHBondContact O-N 2.88Å; V205-F245 HydrophobicContact CG2-CD2 4.02Å; V205-F245 HydrophobicContact CG2-CE2 3.82Å; V205-A251 HydrophobicContact CG2-CB 3.7Å; V205-A251 WeakPolarHBondContact CG2-O 3.48Å; V205-A254 HydrophobicContact CG2-CB 4.31Å; V205-I255 HydrophobicContact CB-CG1 4.29Å; V205-I255 HydrophobicContact CG1-CD1 4.41Å; V205-I255 HydrophobicContact CG1-CG1 3.66Å; V205-I255 HydrophobicContact CG2-CD1 4.04Å; V205-I255 HydrophobicContact CG2-CG1 3.83Å; V205-C270 HydrophobicContact CG1-CB 4.14Å
206Y96.3Very high89Confident70 Ų7057 Ų5728%0.27533%0.329SS..EExtended strand (participates in β ladder)trans-85.5131.4161168.6-91.3000108.9Y240 F242 C270 Y271Y206-Y240 HydrophobicContact CD2-CD2 4.31Å; Y206-Y240 HydrophobicContact CE2-CD1 4.32Å; Y206-Y240 AromaticContact CE2-CD2 3.72Å; Y206-Y240 HydrophobicContact CE2-CD2 3.72Å; Y206-Y240 AromaticContact CE2-CG 3.63Å; Y206-Y240 HydrophobicContact CE2-CG 3.63Å; Y206-F242 HydrophobicContact CD2-CD1 4.23Å; Y206-F242 AromaticContact CD2-CE1 3.67Å; Y206-F242 HydrophobicContact CD2-CE1 3.67Å; Y206-F242 AromaticContact CD2-CZ 3.9Å; Y206-F242 HydrophobicContact CD2-CZ 3.9Å; Y206-F242 HydrophobicContact CG-CE1 4.28Å; Y206-C270 VanDerWaalsContact O-CA 3.26Å; Y206-C270 WeakPolarHBondContact O-CA 3.06Å; Y206-Y271 HydrophobicContact CD1-CD2 4.11Å; Y206-Y271 HydrophobicContact CE1-CD2 4.4Å; Y206-Y271 PolarHBondContact N-O 3.34Å; Y206-Y271 PolarHBondContact O-N 3.5Å
207C93.9Very high89.2Confident0 Ų058.2 Ų58.20%033%0.33CS..EExtended strand (participates in β ladder)trans-124.7116.8173.1-176.40000109.2F223 Y240 S241 K269 C270C207-F223 HydrophobicContact CB-CE2 4.06Å; C207-F223 HydrophobicContact CB-CZ 3.87Å; C207-Y240 CarbonylContact O-C 3.48Å; C207-Y240 VanDerWaalsContact O-CA 3.22Å; C207-Y240 WeakPolarHBondContact O-CA 3.15Å; C207-Y240 WeakPolarHBondContact O-CB 3.47Å; C207-S241 PolarHBondContact N-O 2.84Å; C207-S241 PolarHBondContact O-N 3.06Å; C207-K269 WeakPolarHBondContact CA-O 3.32Å; C207-C270 VanDerWaalsContact SG-SG 3.67Å
208G92.6Very high89.5Confident4 Ų453.4 Ų53.44%0.04131%0.308CS..EExtended strand (participates in β ladder)trans-126.1156.3-178.800000113.1V268 K269G208-V268 CarbonylContact O-C 3.58Å; G208-V268 WeakPolarHBondContact O-CA 3.39Å; G208-K269 PolarHBondContact N-O 3.31Å; G208-K269 PolarHBondContact O-N 2.93Å
209G87.9Confident89.9Confident33 Ų3352 Ų5234%0.3430%0.298SS..  trans112.8-4.8175.900000114.9T211 G239 N266G209-T211 PolarHBondContact O-N 3.21Å; G209-T211 VanDerWaalsContact O-N 3.1Å; G209-G239 PolarHBondContact N-O 2.91Å; G209-N266 WeakPolarHBondContact O-CB 3.38Å; G209-N266 PolarHBondContact O-OD1 3.21Å
210V89.4Confident90.4Very high1 Ų153.8 Ų53.81%0.00630%0.295CS..  trans-80.789.8176.8-171.20000109.3Q212 L214 M219 G239 I263 V268V210-Q212 WeakPolarHBondContact CG1-O 3.36Å; V210-L214 HydrophobicContact CB-CB 4.07Å; V210-L214 HydrophobicContact CB-CD1 4.09Å; V210-L214 HydrophobicContact CB-CD2 4.35Å; V210-L214 HydrophobicContact CB-CG 4.39Å; V210-L214 HydrophobicContact CG1-CB 3.73Å; V210-L214 HydrophobicContact CG1-CD1 4.19Å; V210-L214 HydrophobicContact CG1-CG 4.45Å; V210-L214 HydrophobicContact CG2-CD1 4.37Å; V210-M219 HydrophobicContact CG2-CE 4.2Å; V210-G239 PolarHBondContact N-O 3.18Å; V210-G239 WeakPolarHBondContact O-CA 3.16Å; V210-I263 HydrophobicContact CG2-CB 4.22Å; V210-I263 HydrophobicContact CG2-CG2 4.42Å; V210-V268 HydrophobicContact CG2-CG1 3.34Å
211T84.2Confident91Very high97 Ų9752.9 Ų52.960%0.59529%0.287SS*.  trans-79.1-19.5-172.867.30000114.5G209 N266G209-T211 PolarHBondContact O-N 3.21Å; G209-T211 VanDerWaalsContact O-N 3.1Å; T211-N266 PolarHBondContact N-OD1 2.97Å; T211-N266 VanDerWaalsContact N-OD1 3.15Å; T211-N266 PolarHBondContact OG1-OD1 3.39Å
212Q85.1Confident91.4Very high149 Ų14951.1 Ų51.170%0.69627%0.273SS*.SBendtrans-140.2151.1177.8-60.3-17420.900109.5V210 L214V210-Q212 WeakPolarHBondContact CG1-O 3.36Å; Q212-L214 PolarHBondContact O-N 2.6Å
213G83.9Confident91.7Very high46 Ų4650.8 Ų50.847%0.47427%0.271SS..SBendtrans724.817800000115.9T215G213-T215 PolarHBondContact O-N 3.2Å
214L91.4Very high91.7Very high11 Ų1152.9 Ų52.96%0.05829%0.286CS..  trans-65.2104.6-179.8-178.154.2000111.6V210 Q212 M219 V234 P236 Y240V210-L214 HydrophobicContact CB-CB 4.07Å; V210-L214 HydrophobicContact CB-CD1 4.09Å; V210-L214 HydrophobicContact CB-CD2 4.35Å; V210-L214 HydrophobicContact CB-CG 4.39Å; V210-L214 HydrophobicContact CG1-CB 3.73Å; V210-L214 HydrophobicContact CG1-CD1 4.19Å; V210-L214 HydrophobicContact CG1-CG 4.45Å; V210-L214 HydrophobicContact CG2-CD1 4.37Å; Q212-L214 PolarHBondContact O-N 2.6Å; L214-M219 HydrophobicContact CD1-CE 3.72Å; L214-M219 HydrophobicContact CD1-CG 3.79Å; L214-M219 HydrophobicContact CD1-SD 3.79Å; L214-V234 HydrophobicContact CD1-CG1 4.24Å; L214-V234 HydrophobicContact CG-CB 4.38Å; L214-V234 HydrophobicContact CG-CG1 4.44Å; L214-P236 WeakPolarHBondContact O-CG 3.46Å; L214-Y240 WeakPolarHBondContact CD2-O 3.33Å
215T93.6Very high91.7Very high70 Ų7056.5 Ų56.543%0.42931%0.31SS..  trans-125.2162175.661.50000111G213 Q217 I218 M219G213-T215 PolarHBondContact O-N 3.2Å; T215-Q217 PolarHBondContact O-N 2.96Å; T215-I218 WeakPolarHBondContact O-CG2 3.39Å; T215-I218 WeakPolarHBondContact OG1-CG2 3.46Å; T215-I218 PolarHBondContact OG1-N 2.79Å; T215-M219 WeakPolarHBondContact O-CG 3.39Å; T215-M219 PolarHBondContact O-N 2.95Å
216E93.6Very high91.5Very high86 Ų8659.2 Ų59.240%0.40232%0.322SS..Hα-helixtrans-62.1-35.7173.5-160.2-154.4125.900111.4M219 R220 I232E216-M219 PolarHBondContact O-N 2.87Å; E216-R220 WeakPolarHBondContact O-CB 3.46Å; E216-R220 PolarHBondContact O-N 2.79Å; E216-R220 IonicContact OE1-CZ 3.43Å; E216-R220 IonicContact OE1-NE 3.35Å; E216-R220 PolarHBondContact OE1-NE 2.83Å; E216-R220 IonicContact OE1-NH2 2.68Å; E216-R220 PolarHBondContact OE1-NH2 2.84Å; E216-I232 HydrophobicContact CG-CB 3.67Å; E216-I232 HydrophobicContact CG-CD1 4.14Å; E216-I232 HydrophobicContact CG-CG1 4.46Å; E216-I232 HydrophobicContact CG-CG2 3.59Å
217Q92.6Very high91.2Very high156 Ų15657.2 Ų57.273%0.72932%0.322SS*.Hα-helixtrans-65-45.4-177.6-171.8172.6-5100112.5T215 R220 Q221T215-Q217 PolarHBondContact O-N 2.96Å; Q217-R220 PolarHBondContact O-N 2.91Å; Q217-Q221 WeakPolarHBondContact O-CB 3.33Å; Q217-Q221 PolarHBondContact O-N 2.76Å
218I92.8Very high91.1Very high24 Ų2464 Ų6412%0.12335%0.354CS..Hα-helixtrans-65.9-39.2176.4-171.161.7000111.1T215 R220 Q221 T222 I263 E264T215-I218 WeakPolarHBondContact O-CG2 3.39Å; T215-I218 WeakPolarHBondContact OG1-CG2 3.46Å; T215-I218 PolarHBondContact OG1-N 2.79Å; I218-R220 PolarHBondContact O-N 3.48Å; I218-Q221 PolarHBondContact O-N 2.84Å; I218-T222 PolarHBondContact O-N 3.15Å; I218-T222 PolarHBondContact O-OG1 3.08Å; I218-I263 HydrophobicContact CD1-CG2 4.39Å; I218-I263 HydrophobicContact CG1-CG2 3.6Å; I218-E264 HydrophobicContact CG1-CG 4.43Å
219M93.8Very high91.2Very high0 Ų064.9 Ų64.90%036%0.357CS..Hα-helixtrans-61.7-44.7173.6-64.9-64.897.500111.6V210 L214 T215 E216 Q221 T222 F223 I232 V234 S241 I263V210-M219 HydrophobicContact CG2-CE 4.2Å; L214-M219 HydrophobicContact CD1-CE 3.72Å; L214-M219 HydrophobicContact CD1-CG 3.79Å; L214-M219 HydrophobicContact CD1-SD 3.79Å; T215-M219 WeakPolarHBondContact O-CG 3.39Å; T215-M219 PolarHBondContact O-N 2.95Å; E216-M219 PolarHBondContact O-N 2.87Å; M219-Q221 VanDerWaalsContact C-N 3.35Å; M219-Q221 PolarHBondContact O-N 3.2Å; M219-T222 PolarHBondContact O-N 3.28Å; M219-F223 WeakPolarHBondContact O-CB 3.35Å; M219-F223 WeakPolarHBondContact O-CD2 3.47Å; M219-F223 PolarHBondContact O-N 2.77Å; M219-F223 HydrophobicContact SD-CD2 4.42Å; M219-F223 HydrophobicContact SD-CE2 4.02Å; M219-I232 HydrophobicContact CB-CD1 4.45Å; M219-I232 HydrophobicContact CB-CG2 3.97Å; M219-V234 HydrophobicContact CG-CG1 3.93Å; M219-S241 PolarHBondContact SD-OG 2.67Å; M219-I263 HydrophobicContact CE-CD1 3.72Å; M219-I263 HydrophobicContact CE-CG2 4.02Å
220R94.3Very high91.4Very high105 Ų10568.8 Ų68.840%0.39637%0.368SS..Hα-helixtrans-60.3-45.1177.2-169.1170.6-67.8-79.32.1111.3E216 Q217 I218 S224 I232E216-R220 WeakPolarHBondContact O-CB 3.46Å; E216-R220 PolarHBondContact O-N 2.79Å; E216-R220 IonicContact OE1-CZ 3.43Å; E216-R220 IonicContact OE1-NE 3.35Å; E216-R220 PolarHBondContact OE1-NE 2.83Å; E216-R220 IonicContact OE1-NH2 2.68Å; E216-R220 PolarHBondContact OE1-NH2 2.84Å; Q217-R220 PolarHBondContact O-N 2.91Å; I218-R220 PolarHBondContact O-N 3.48Å; R220-S224 WeakPolarHBondContact O-CB 3.48Å; R220-S224 PolarHBondContact O-N 3.03Å; R220-S224 PolarHBondContact O-OG 3.38Å; R220-I232 HydrophobicContact CB-CD1 3.59Å; R220-I232 HydrophobicContact CG-CD1 4.13Å
221Q91.4Very high91.5Very high135 Ų13572 Ų7263%0.63138%0.383SS*.Hα-helixtrans-62.2-46.5177-172.3177.61500111.9Q217 I218 M219 S224Q217-Q221 WeakPolarHBondContact O-CB 3.33Å; Q217-Q221 PolarHBondContact O-N 2.76Å; I218-Q221 PolarHBondContact O-N 2.84Å; M219-Q221 VanDerWaalsContact C-N 3.35Å; M219-Q221 PolarHBondContact O-N 3.2Å; Q221-S224 PolarHBondContact O-OG 2.72Å
222T91.7Very high92Very high34 Ų3468.3 Ų68.321%0.20936%0.36CS..Hα-helixtrans-66.4-41.8179.3-52.50000112.8I218 M219 P225 F226 V258 I263I218-T222 PolarHBondContact O-N 3.15Å; I218-T222 PolarHBondContact O-OG1 3.08Å; M219-T222 PolarHBondContact O-N 3.28Å; T222-P225 WeakPolarHBondContact O-CD 3.33Å; T222-F226 WeakPolarHBondContact O-CE2 3.43Å; T222-V258 HydrophobicContact CG2-CG1 4.01Å; T222-V258 HydrophobicContact CG2-CG2 4.22Å; T222-I263 HydrophobicContact CG2-CD1 3.77Å; T222-I263 HydrophobicContact CG2-CG1 4.36Å
223F94.5Very high92.5Very high0 Ų066 Ų660%035%0.345CS..Hα-helixtrans-94.2-19.3-168.6-77.8-79000115V205 C207 M219 F226 I229 V243 F245 A254 V258V205-F223 HydrophobicContact CG1-CE1 4.16Å; V205-F223 HydrophobicContact CG1-CZ 4.5Å; C207-F223 HydrophobicContact CB-CE2 4.06Å; C207-F223 HydrophobicContact CB-CZ 3.87Å; M219-F223 WeakPolarHBondContact O-CB 3.35Å; M219-F223 WeakPolarHBondContact O-CD2 3.47Å; M219-F223 PolarHBondContact O-N 2.77Å; M219-F223 HydrophobicContact SD-CD2 4.42Å; M219-F223 HydrophobicContact SD-CE2 4.02Å; F223-F226 HydrophobicContact CD1-CD2 4.42Å; F223-F226 WeakPolarHBondContact O-CD2 3.09Å; F223-F226 PolarHBondContact O-N 2.69Å; F223-I229 HydrophobicContact CB-CD1 3.82Å; F223-V243 HydrophobicContact CB-CG1 4.01Å; F223-V243 HydrophobicContact CD2-CG2 3.84Å; F223-V243 HydrophobicContact CE2-CG2 4.18Å; F223-V243 HydrophobicContact CG-CB 4.48Å; F223-V243 HydrophobicContact CG-CG1 4.2Å; F223-V243 HydrophobicContact CG-CG2 4.16Å; F223-F245 HydrophobicContact CB-CZ 3.93Å; F223-F245 HydrophobicContact CD1-CE2 4.2Å; F223-F245 AromaticContact CD1-CZ 3.96Å; F223-F245 HydrophobicContact CD1-CZ 3.96Å; F223-F245 HydrophobicContact CG-CZ 4.39Å; F223-F245 WeakPolarHBondContact O-CE1 3.27Å; F223-A254 HydrophobicContact CD1-CB 3.81Å; F223-A254 HydrophobicContact CE1-CB 4.02Å; F223-V258 HydrophobicContact CD1-CG2 4.26Å; F223-V258 HydrophobicContact CE1-CB 4.02Å; F223-V258 HydrophobicContact CE1-CG1 4.15Å; F223-V258 HydrophobicContact CE1-CG2 3.84Å; F223-V258 HydrophobicContact CE2-CG1 4.37Å; F223-V258 HydrophobicContact CZ-CB 4.13Å; F223-V258 HydrophobicContact CZ-CG1 3.75Å; F223-V258 HydrophobicContact CZ-CG2 4.26Å
224S93.1Very high92.9Very high63 Ų6365.8 Ų65.844%0.44133%0.334SS..G310 helixtrans-59.9-28.8-179.454.40000116.6R220 Q221 F226 G227R220-S224 WeakPolarHBondContact O-CB 3.48Å; R220-S224 PolarHBondContact O-N 3.03Å; R220-S224 PolarHBondContact O-OG 3.38Å; Q221-S224 PolarHBondContact O-OG 2.72Å; S224-F226 PolarHBondContact O-N 3.23Å; S224-G227 PolarHBondContact O-N 3.34Å
225P93.6Very high93.1Very high102 Ų10268.5 Ų68.566%0.66235%0.346SS*.G310 helixtrans-65.1-20.8176.7-23.635.7000114.4T222T222-P225 WeakPolarHBondContact O-CD 3.33Å
226F92Very high92.9Very high58 Ų5868.5 Ų68.525%0.25435%0.347SS..G310 helixtrans-90-12.8-174.7-53-67.1000113.7T222 F223 S224 F245 A250 A254 S257 V258T222-F226 WeakPolarHBondContact O-CE2 3.43Å; F223-F226 HydrophobicContact CD1-CD2 4.42Å; F223-F226 WeakPolarHBondContact O-CD2 3.09Å; F223-F226 PolarHBondContact O-N 2.69Å; S224-F226 PolarHBondContact O-N 3.23Å; F226-F245 HydrophobicContact CB-CE1 4.23Å; F226-F245 HydrophobicContact CB-CZ 4.3Å; F226-A250 WeakPolarHBondContact O-CA 3.31Å; F226-A250 WeakPolarHBondContact O-CB 3.4Å; F226-A254 HydrophobicContact CB-CB 3.88Å; F226-A254 HydrophobicContact CD2-CB 3.89Å; F226-A254 HydrophobicContact CG-CB 3.95Å; F226-S257 WeakPolarHBondContact CE1-OG 3.49Å; F226-S257 VanDerWaalsContact CZ-CB 3.48Å; F226-V258 HydrophobicContact CD2-CG2 4.22Å; F226-V258 HydrophobicContact CE2-CG2 3.37Å; F226-V258 HydrophobicContact CZ-CG2 3.82Å
227G90Very high92.5Very high27 Ų2773.7 Ų73.728%0.27837%0.371SS..SBendtrans155.2177.8176.200000113.6S224 I229S224-G227 PolarHBondContact O-N 3.34Å; G227-I229 PolarHBondContact O-N 3.24Å
228Q91.9Very high92.4Very high142 Ų14272.8 Ų72.866%0.66437%0.365SS*.  trans-68.3117.7179.4-173.1176.36.800111F245 N246Q228-F245 CarbonylContact O-C 3.45Å; Q228-F245 WeakPolarHBondContact O-CA 3.42Å; Q228-N246 HydrophobicContact CB-CB 4.16Å; Q228-N246 PolarHBondContact O-N 2.91Å
229I95.3Very high92.3Very high23 Ų2372 Ų7212%0.11836%0.363CS..EExtended strand (participates in β ladder)trans-83124.4175.3-57172.8000109.4F223 G227 E231 I232 V243 R244 F245F223-I229 HydrophobicContact CB-CD1 3.82Å; G227-I229 PolarHBondContact O-N 3.24Å; I229-E231 WeakPolarHBondContact CG2-O 3.47Å; I229-I232 HydrophobicContact CD1-CD1 4.18Å; I229-I232 HydrophobicContact CG2-CD1 4.04Å; I229-I232 HydrophobicContact CG2-CG1 3.56Å; I229-V243 HydrophobicContact CD1-CG1 4.12Å; I229-V243 HydrophobicContact CG1-CG1 4.08Å; I229-V243 HydrophobicContact CG2-CG1 3.85Å; I229-R244 CarbonylContact C-O 3.59Å; I229-F245 HydrophobicContact CG1-CD1 4.28Å; I229-F245 HydrophobicContact CG1-CE1 3.91Å; I229-F245 HydrophobicContact CG1-CZ 4.41Å
230M91.5Very high92.3Very high116 Ų11674.3 Ų74.357%0.57137%0.371SS*.EExtended strand (participates in β ladder)trans-86.4-40.4173.2-61.5-173.177.900112.4R244 N246M230-R244 PolarHBondContact N-O 2.93Å; M230-N246 HydrophobicContact CG-CB 4.15Å; M230-N246 HydrophobicContact SD-CB 4.36Å
231E92.2Very high92.4Very high69 Ų6969.3 Ų69.332%0.32235%0.353SS..EExtended strand (participates in β ladder)trans-147.6142.7-171.5-163.9-166.1157.500110.4I229 R233 V243 R244I229-E231 WeakPolarHBondContact CG2-O 3.47Å; E231-R233 HydrophobicContact CG-CG 4.49Å; E231-R233 WeakPolarHBondContact OE1-CD 3.31Å; E231-R233 WeakPolarHBondContact OE1-CG 3.45Å; E231-R233 IonicContact OE1-CZ 3.66Å; E231-R233 IonicContact OE1-NE 2.73Å; E231-R233 PolarHBondContact OE1-NE 2.73Å; E231-R233 IonicContact OE1-NH2 3.96Å; E231-V243 WeakPolarHBondContact O-CA 3.37Å; E231-R244 HydrophobicContact CB-CB 3.88Å; E231-R244 PolarHBondContact N-O 3.36Å; E231-R244 PolarHBondContact O-N 2.99Å
232I94.8Very high92.6Very high18 Ų1865.1 Ų65.19%0.09233%0.332CS..EExtended strand (participates in β ladder)trans-130.8127.7168.1-55.3178.8000107.7E216 M219 R220 I229 V234 F242 V243E216-I232 HydrophobicContact CG-CB 3.67Å; E216-I232 HydrophobicContact CG-CD1 4.14Å; E216-I232 HydrophobicContact CG-CG1 4.46Å; E216-I232 HydrophobicContact CG-CG2 3.59Å; M219-I232 HydrophobicContact CB-CD1 4.45Å; M219-I232 HydrophobicContact CB-CG2 3.97Å; R220-I232 HydrophobicContact CB-CD1 3.59Å; R220-I232 HydrophobicContact CG-CD1 4.13Å; I229-I232 HydrophobicContact CD1-CD1 4.18Å; I229-I232 HydrophobicContact CG2-CD1 4.04Å; I229-I232 HydrophobicContact CG2-CG1 3.56Å; I232-V234 HydrophobicContact CG2-CG1 4.07Å; I232-F242 CarbonylContact C-O 3.55Å; I232-F242 WeakPolarHBondContact CA-O 3.46Å; I232-V243 HydrophobicContact CG1-CG1 4.43Å; I232-V243 HydrophobicContact CG1-CG2 4.5Å; I232-V243 HydrophobicContact CG2-CG2 4.37Å
233R94.6Very high92.8Very high101 Ų10163.5 Ų63.538%0.38132%0.323SS..EExtended strand (participates in β ladder)trans-122.6113.3171.2-73-170.9-79.8152.6-0.8109.5E231 F235 S241 F242E231-R233 HydrophobicContact CG-CG 4.49Å; E231-R233 WeakPolarHBondContact OE1-CD 3.31Å; E231-R233 WeakPolarHBondContact OE1-CG 3.45Å; E231-R233 IonicContact OE1-CZ 3.66Å; E231-R233 IonicContact OE1-NE 2.73Å; E231-R233 PolarHBondContact OE1-NE 2.73Å; E231-R233 IonicContact OE1-NH2 3.96Å; R233-F235 HydrophobicContact CB-CE2 4.03Å; R233-S241 CarbonylContact O-C 3.6Å; R233-S241 WeakPolarHBondContact O-CA 3.38Å; R233-S241 WeakPolarHBondContact O-CB 3.25Å; R233-F242 PolarHBondContact N-O 3.13Å; R233-F242 PolarHBondContact O-N 3Å
234V93.6Very high92.9Very high42 Ų4268.9 Ų68.926%0.25534%0.343SS..EExtended strand (participates in β ladder)trans-99.6144.5177.3-64.60000111.5L214 M219 I232 P236L214-V234 HydrophobicContact CD1-CG1 4.24Å; L214-V234 HydrophobicContact CG-CB 4.38Å; L214-V234 HydrophobicContact CG-CG1 4.44Å; M219-V234 HydrophobicContact CG-CG1 3.93Å; I232-V234 HydrophobicContact CG2-CG1 4.07Å; V234-P236 HydrophobicContact CG2-CG 4.34Å
235F93.8Very high93Very high68 Ų6865.9 Ų65.930%0.29832%0.322SS..EExtended strand (participates in β ladder)trans-127.176.9174.6-62.9-93.9000108.8R233 E237 K238 G239 Y240 F242R233-F235 HydrophobicContact CB-CE2 4.03Å; F235-E237 VanDerWaalsContact C-N 3.34Å; F235-E237 PolarHBondContact O-N 2.84Å; F235-K238 HydrophobicContact CB-CB 4.35Å; F235-K238 CarbonylContact O-C 3.49Å; F235-K238 PolarHBondContact O-N 3.08Å; F235-G239 PolarHBondContact O-N 3.36Å; F235-Y240 WeakPolarHBondContact CA-O 3.32Å; F235-Y240 HydrophobicContact CB-CD2 4.12Å; F235-Y240 HydrophobicContact CB-CE1 4.42Å; F235-Y240 HydrophobicContact CB-CE2 3.81Å; F235-Y240 HydrophobicContact CB-CG 4.5Å; F235-Y240 WeakPolarHBondContact CB-O 3.45Å; F235-Y240 HydrophobicContact CD1-CE2 4.4Å; F235-Y240 AromaticContact CD2-CD2 3.79Å; F235-Y240 HydrophobicContact CD2-CD2 3.79Å; F235-Y240 AromaticContact CD2-CE2 3.27Å; F235-Y240 HydrophobicContact CD2-CE2 3.27Å; F235-Y240 AromaticContact CE2-CE2 3.93Å; F235-Y240 HydrophobicContact CE2-CE2 3.93Å; F235-Y240 HydrophobicContact CG-CD2 4.21Å; F235-Y240 AromaticContact CG-CE2 3.56Å; F235-Y240 HydrophobicContact CG-CE2 3.56Å; F235-Y240 AromaticContact CG-CZ 3.89Å; F235-Y240 PolarHBondContact N-O 2.83Å; F235-Y240 PolarHBondContact O-N 2.86Å; F235-F242 AromaticContact CE2-CD2 3.94Å; F235-F242 HydrophobicContact CE2-CD2 3.94Å; F235-F242 HydrophobicContact CE2-CE2 4.16Å
236P89.5Confident92.9Very high70 Ų7065.6 Ų65.646%0.45532%0.315SS..G310 helixtrans-57.4-43-170.9-25.736.1000113.3L214 V234 K238 G239L214-P236 WeakPolarHBondContact O-CG 3.46Å; V234-P236 HydrophobicContact CG2-CG 4.34Å; P236-K238 PolarHBondContact O-N 3.35Å; P236-K238 VanDerWaalsContact O-N 3.08Å; P236-G239 PolarHBondContact O-N 3.13Å
237E86.5Confident93Very high194 Ų19465 Ų6591%0.90732%0.318SS*.G310 helixtrans-57.6-24.4177.2-60-177.4160.700114.1F235F235-E237 VanDerWaalsContact C-N 3.34Å; F235-E237 PolarHBondContact O-N 2.84Å
238K89.8Confident93Very high138 Ų13864.5 Ų64.560%0.631%0.308SS*.G310 helixtrans-109.90.4-178.3-56.7-178.4-177.3177.50112.7F235 P236 Y240F235-K238 HydrophobicContact CB-CB 4.35Å; F235-K238 CarbonylContact O-C 3.49Å; F235-K238 PolarHBondContact O-N 3.08Å; P236-K238 PolarHBondContact O-N 3.35Å; P236-K238 VanDerWaalsContact O-N 3.08Å; K238-Y240 VanDerWaalsContact C-N 3.32Å; K238-Y240 HydrophobicContact CB-CD1 3.55Å; K238-Y240 HydrophobicContact CB-CE1 3.32Å; K238-Y240 HydrophobicContact CD-CE1 3.58Å; K238-Y240 WeakPolarHBondContact CD-OH 3.15Å; K238-Y240 HydrophobicContact CG-CE1 4.09Å; K238-Y240 WeakPolarHBondContact O-CD1 3.27Å; K238-Y240 PolarHBondContact O-N 3.22Å
239G90.5Very high93Very high8 Ų863.5 Ų63.58%0.08230%0.304CS..THydrogen-bonded Turntrans60.431.9178.500000115.5G209 V210 F235 P236G209-G239 PolarHBondContact N-O 2.91Å; V210-G239 PolarHBondContact N-O 3.18Å; V210-G239 WeakPolarHBondContact O-CA 3.16Å; F235-G239 PolarHBondContact O-N 3.36Å; P236-G239 PolarHBondContact O-N 3.13Å
240Y94.8Very high92.9Very high47 Ų4762.7 Ų62.718%0.18430%0.301CS..EExtended strand (participates in β ladder)trans-140.6161.6176.671.9-105.6000114.1Y206 C207 L214 F235 K238 F242Y206-Y240 HydrophobicContact CD2-CD2 4.31Å; Y206-Y240 HydrophobicContact CE2-CD1 4.32Å; Y206-Y240 AromaticContact CE2-CD2 3.72Å; Y206-Y240 HydrophobicContact CE2-CD2 3.72Å; Y206-Y240 AromaticContact CE2-CG 3.63Å; Y206-Y240 HydrophobicContact CE2-CG 3.63Å; C207-Y240 CarbonylContact O-C 3.48Å; C207-Y240 VanDerWaalsContact O-CA 3.22Å; C207-Y240 WeakPolarHBondContact O-CA 3.15Å; C207-Y240 WeakPolarHBondContact O-CB 3.47Å; L214-Y240 WeakPolarHBondContact CD2-O 3.33Å; F235-Y240 WeakPolarHBondContact CA-O 3.32Å; F235-Y240 HydrophobicContact CB-CD2 4.12Å; F235-Y240 HydrophobicContact CB-CE1 4.42Å; F235-Y240 HydrophobicContact CB-CE2 3.81Å; F235-Y240 HydrophobicContact CB-CG 4.5Å; F235-Y240 WeakPolarHBondContact CB-O 3.45Å; F235-Y240 HydrophobicContact CD1-CE2 4.4Å; F235-Y240 AromaticContact CD2-CD2 3.79Å; F235-Y240 HydrophobicContact CD2-CD2 3.79Å; F235-Y240 AromaticContact CD2-CE2 3.27Å; F235-Y240 HydrophobicContact CD2-CE2 3.27Å; F235-Y240 AromaticContact CE2-CE2 3.93Å; F235-Y240 HydrophobicContact CE2-CE2 3.93Å; F235-Y240 HydrophobicContact CG-CD2 4.21Å; F235-Y240 AromaticContact CG-CE2 3.56Å; F235-Y240 HydrophobicContact CG-CE2 3.56Å; F235-Y240 AromaticContact CG-CZ 3.89Å; F235-Y240 PolarHBondContact N-O 2.83Å; F235-Y240 PolarHBondContact O-N 2.86Å; K238-Y240 VanDerWaalsContact C-N 3.32Å; K238-Y240 HydrophobicContact CB-CD1 3.55Å; K238-Y240 HydrophobicContact CB-CE1 3.32Å; K238-Y240 HydrophobicContact CD-CE1 3.58Å; K238-Y240 WeakPolarHBondContact CD-OH 3.15Å; K238-Y240 HydrophobicContact CG-CE1 4.09Å; K238-Y240 WeakPolarHBondContact O-CD1 3.27Å; K238-Y240 PolarHBondContact O-N 3.22Å; Y240-F242 HydrophobicContact CD2-CE2 4.2Å; Y240-F242 HydrophobicContact CE2-CD2 4.45Å; Y240-F242 AromaticContact CE2-CE2 3.78Å; Y240-F242 HydrophobicContact CE2-CE2 3.78Å; Y240-F242 HydrophobicContact CE2-CZ 4.44Å
241S95.4Very high93Very high1 Ų157.2 Ų57.21%0.00727%0.273CS..EExtended strand (participates in β ladder)trans-140164.1176.167.70000112C207 M219 R233C207-S241 PolarHBondContact N-O 2.84Å; C207-S241 PolarHBondContact O-N 3.06Å; M219-S241 PolarHBondContact SD-OG 2.67Å; R233-S241 CarbonylContact O-C 3.6Å; R233-S241 WeakPolarHBondContact O-CA 3.38Å; R233-S241 WeakPolarHBondContact O-CB 3.25Å
242F96.5Very high93Very high46 Ų4653.9 Ų53.920%0.20226%0.258CS..EExtended strand (participates in β ladder)trans-117.7136163.8-63.4-82.2000109.4T204 V205 Y206 I232 R233 F235 Y240T204-F242 HydrophobicContact CG2-CB 4.12Å; T204-F242 HydrophobicContact CG2-CD1 4.11Å; V205-F242 CarbonylContact O-C 3.57Å; V205-F242 VanDerWaalsContact O-CA 3.28Å; V205-F242 WeakPolarHBondContact O-CA 3.41Å; Y206-F242 HydrophobicContact CD2-CD1 4.23Å; Y206-F242 AromaticContact CD2-CE1 3.67Å; Y206-F242 HydrophobicContact CD2-CE1 3.67Å; Y206-F242 AromaticContact CD2-CZ 3.9Å; Y206-F242 HydrophobicContact CD2-CZ 3.9Å; Y206-F242 HydrophobicContact CG-CE1 4.28Å; I232-F242 CarbonylContact C-O 3.55Å; I232-F242 WeakPolarHBondContact CA-O 3.46Å; R233-F242 PolarHBondContact N-O 3.13Å; R233-F242 PolarHBondContact O-N 3Å; F235-F242 AromaticContact CE2-CD2 3.94Å; F235-F242 HydrophobicContact CE2-CD2 3.94Å; F235-F242 HydrophobicContact CE2-CE2 4.16Å; Y240-F242 HydrophobicContact CD2-CE2 4.2Å; Y240-F242 HydrophobicContact CE2-CD2 4.45Å; Y240-F242 AromaticContact CE2-CE2 3.78Å; Y240-F242 HydrophobicContact CE2-CE2 3.78Å; Y240-F242 HydrophobicContact CE2-CZ 4.44Å
243V96.1Very high92.9Very high0 Ų057.3 Ų57.30%027%0.273CS..EExtended strand (participates in β ladder)trans-125116.1176.3-178.80000107.8V205 F223 I229 E231 I232 F245V205-V243 PolarHBondContact N-O 2.75Å; V205-V243 PolarHBondContact O-N 2.88Å; F223-V243 HydrophobicContact CB-CG1 4.01Å; F223-V243 HydrophobicContact CD2-CG2 3.84Å; F223-V243 HydrophobicContact CE2-CG2 4.18Å; F223-V243 HydrophobicContact CG-CB 4.48Å; F223-V243 HydrophobicContact CG-CG1 4.2Å; F223-V243 HydrophobicContact CG-CG2 4.16Å; I229-V243 HydrophobicContact CD1-CG1 4.12Å; I229-V243 HydrophobicContact CG1-CG1 4.08Å; I229-V243 HydrophobicContact CG2-CG1 3.85Å; E231-V243 WeakPolarHBondContact O-CA 3.37Å; I232-V243 HydrophobicContact CG1-CG1 4.43Å; I232-V243 HydrophobicContact CG1-CG2 4.5Å; I232-V243 HydrophobicContact CG2-CG2 4.37Å; V243-F245 HydrophobicContact CB-CE2 4.48Å; V243-F245 HydrophobicContact CG1-CD2 4.32Å; V243-F245 HydrophobicContact CG1-CE2 3.8Å; V243-F245 HydrophobicContact CG1-CZ 4.11Å
244R94.6Very high92.8Very high113 Ų11352.5 Ų52.543%0.42626%0.255SS..EExtended strand (participates in β ladder)trans-98.3124.6177.4-170.8178.5179.21644110C203 I229 M230 E231C203-R244 WeakPolarHBondContact O-CA 3.38Å; I229-R244 CarbonylContact C-O 3.59Å; M230-R244 PolarHBondContact N-O 2.93Å; E231-R244 HydrophobicContact CB-CB 3.88Å; E231-R244 PolarHBondContact N-O 3.36Å; E231-R244 PolarHBondContact O-N 2.99Å
245F95.9Very high92.8Very high0 Ų050.7 Ų50.70%024%0.244CC..EExtended strand (participates in β ladder)trans-93.7163.5174.4-71.8-88.6000111.9C203 V205 F223 F226 Q228 I229 V243 S247 A250 A251 A254C203-F245 WeakPolarHBondContact CB-O 3.31Å; C203-F245 PolarHBondContact O-N 2.8Å; V205-F245 HydrophobicContact CG2-CD2 4.02Å; V205-F245 HydrophobicContact CG2-CE2 3.82Å; F223-F245 HydrophobicContact CB-CZ 3.93Å; F223-F245 HydrophobicContact CD1-CE2 4.2Å; F223-F245 AromaticContact CD1-CZ 3.96Å; F223-F245 HydrophobicContact CD1-CZ 3.96Å; F223-F245 HydrophobicContact CG-CZ 4.39Å; F223-F245 WeakPolarHBondContact O-CE1 3.27Å; F226-F245 HydrophobicContact CB-CE1 4.23Å; F226-F245 HydrophobicContact CB-CZ 4.3Å; Q228-F245 CarbonylContact O-C 3.45Å; Q228-F245 WeakPolarHBondContact O-CA 3.42Å; I229-F245 HydrophobicContact CG1-CD1 4.28Å; I229-F245 HydrophobicContact CG1-CE1 3.91Å; I229-F245 HydrophobicContact CG1-CZ 4.41Å; V243-F245 HydrophobicContact CB-CE2 4.48Å; V243-F245 HydrophobicContact CG1-CD2 4.32Å; V243-F245 HydrophobicContact CG1-CE2 3.8Å; V243-F245 HydrophobicContact CG1-CZ 4.11Å; F245-S247 VanDerWaalsContact C-N 3.32Å; F245-A250 HydrophobicContact CB-CB 4.04Å; F245-A250 HydrophobicContact CD1-CB 3.81Å; F245-A250 HydrophobicContact CG-CB 4.04Å; F245-A251 HydrophobicContact CB-CB 4.31Å; F245-A251 HydrophobicContact CD2-CB 3.83Å; F245-A251 HydrophobicContact CG-CB 4.38Å; F245-A254 HydrophobicContact CE2-CB 3.66Å; F245-A254 HydrophobicContact CZ-CB 3.65Å
246N92.3Very high92.6Very high97 Ų9749.2 Ų49.252%0.51924%0.241SC..SBendtrans-72.9-22.4171.5-172.765.4000113.2Q228 M230Q228-N246 HydrophobicContact CB-CB 4.16Å; Q228-N246 PolarHBondContact O-N 2.91Å; M230-N246 HydrophobicContact CG-CB 4.15Å; M230-N246 HydrophobicContact SD-CB 4.36Å
247S92.6Very high92.5Very high45 Ų4548.5 Ų48.532%0.31524%0.238SC..SBendtrans-132151.1176.869.90000112.7C203 F245 A250 A251C203-S247 VanDerWaalsContact SG-C 3.54Å; F245-S247 VanDerWaalsContact C-N 3.32Å; S247-A250 PolarHBondContact O-N 3.02Å; S247-A250 VanDerWaalsContact OG-CB 3.26Å; S247-A250 WeakPolarHBondContact OG-CB 3.39Å; S247-A250 PolarHBondContact OG-N 3.22Å; S247-A251 PolarHBondContact O-N 3.05Å
248H90.8Very high92.7Very high16 Ų1639.5 Ų39.57%0.07420%0.195CC..Hα-helixtrans-64.9-39.6176.117771.9000111.5L195 S199 N202 C203 A250 A251 A252 W272L195-H248 WeakPolarHBondContact CD1-CD2 3.46Å; L195-H248 PolarHBondContact O-NE2 3.09Å; L195-H248 VanDerWaalsContact O-NE2 3.15Å; S199-H248 PolarHBondContact O-CE1 3.06Å; S199-H248 PolarHBondContact O-ND1 3.37Å; N202-H248 PolarHBondContact O-ND1 2.76Å; C203-H248 PolarHBondContact SG-N 3.43Å; C203-H248 VanDerWaalsContact SG-N 3.4Å; H248-A250 PolarHBondContact O-N 3.4Å; H248-A251 WeakPolarHBondContact O-CB 3.17Å; H248-A251 PolarHBondContact O-N 2.91Å; H248-A252 PolarHBondContact O-N 2.85Å; H248-W272 AromaticContact CE1-CH2 3.38Å; H248-W272 WeakPolarHBondContact CE1-CH2 3.45Å; H248-W272 AromaticContact CE1-CZ2 3.49Å; H248-W272 VanDerWaalsContact CE1-CZ2 3.49Å; H248-W272 WeakPolarHBondContact CE1-CZ2 3.48Å; H248-W272 AromaticContact ND1-CH2 3.32Å; H248-W272 VanDerWaalsContact ND1-CH2 3.32Å; H248-W272 WeakPolarHBondContact ND1-CH2 3.48Å; H248-W272 AromaticContact ND1-CZ2 3.94Å; H248-W272 AromaticContact ND1-CZ3 3.81Å
249E91.4Very high92.8Very high121 Ų12133.9 Ų33.957%0.56517%0.172SC*.Hα-helixtrans-60.4-42.7176.2-62.7169.8162.300112.5F191 L195 A251 A252 H253F191-E249 HydrophobicContact CZ-CB 4.46Å; L195-E249 HydrophobicContact CD1-CG 4.26Å; E249-A251 PolarHBondContact O-N 2.98Å; E249-A252 PolarHBondContact O-N 2.91Å; E249-H253 PolarHBondContact O-CD2 3.28Å; E249-H253 VanDerWaalsContact O-CD2 3.28Å; E249-H253 PolarHBondContact O-N 3.46Å
250A93Very high92.4Very high7 Ų734.7 Ų34.76%0.05818%0.18CC..Hα-helixtrans-62.8-42175.900000111.9F226 F245 S247 H248 H253 A254F226-A250 WeakPolarHBondContact O-CA 3.31Å; F226-A250 WeakPolarHBondContact O-CB 3.4Å; F245-A250 HydrophobicContact CB-CB 4.04Å; F245-A250 HydrophobicContact CD1-CB 3.81Å; F245-A250 HydrophobicContact CG-CB 4.04Å; S247-A250 PolarHBondContact O-N 3.02Å; S247-A250 VanDerWaalsContact OG-CB 3.26Å; S247-A250 WeakPolarHBondContact OG-CB 3.39Å; S247-A250 PolarHBondContact OG-N 3.22Å; H248-A250 PolarHBondContact O-N 3.4Å; A250-H253 PolarHBondContact O-N 2.89Å; A250-A254 VanDerWaalsContact O-CB 3.31Å; A250-A254 WeakPolarHBondContact O-CB 3.4Å; A250-A254 PolarHBondContact O-N 3.25Å
251A93.6Very high92Very high0 Ų035 Ų350%019%0.187CC..Hα-helixtrans-64.1-39.4175.200000112.2V205 F245 S247 H248 E249 A254 I255 W272V205-A251 HydrophobicContact CG2-CB 3.7Å; V205-A251 WeakPolarHBondContact CG2-O 3.48Å; F245-A251 HydrophobicContact CB-CB 4.31Å; F245-A251 HydrophobicContact CD2-CB 3.83Å; F245-A251 HydrophobicContact CG-CB 4.38Å; S247-A251 PolarHBondContact O-N 3.05Å; H248-A251 WeakPolarHBondContact O-CB 3.17Å; H248-A251 PolarHBondContact O-N 2.91Å; E249-A251 PolarHBondContact O-N 2.98Å; A251-A254 PolarHBondContact O-N 3.43Å; A251-I255 WeakPolarHBondContact O-CG1 3.46Å; A251-I255 PolarHBondContact O-N 3.49Å; A251-W272 HydrophobicContact CB-CH2 3.76Å; A251-W272 HydrophobicContact CB-CZ3 3.49Å; A251-W272 VanDerWaalsContact CB-CZ3 3.49Å
252A92.7Very high91.6Very high0 Ų038.6 Ų38.60%021%0.212CC..Hα-helixtrans-65.9-45.9174.800000112.2F191 V194 L195 H248 E249 A254 I255 V256 W272F191-A252 HydrophobicContact CD2-CB 4.16Å; F191-A252 HydrophobicContact CE2-CB 3.67Å; F191-A252 HydrophobicContact CZ-CB 4.41Å; V194-A252 HydrophobicContact CG1-CB 4.04Å; L195-A252 HydrophobicContact CB-CB 4.33Å; L195-A252 HydrophobicContact CD1-CB 3.62Å; H248-A252 PolarHBondContact O-N 2.85Å; E249-A252 PolarHBondContact O-N 2.91Å; A252-A254 VanDerWaalsContact C-N 3.31Å; A252-A254 PolarHBondContact O-N 3.47Å; A252-I255 PolarHBondContact O-N 3.18Å; A252-V256 WeakPolarHBondContact O-CG2 3.24Å; A252-V256 PolarHBondContact O-N 3.07Å; A252-W272 HydrophobicContact CB-CH2 4.08Å; A252-W272 HydrophobicContact CB-CZ2 3.9Å
253H92.7Very high91.3Very high89 Ų8936.8 Ų36.841%0.41220%0.204SC..Hα-helixtrans-59.6-41174.8-82.6-59.9000112.2F191 E249 A250 S257F191-H253 AromaticContact CD2-CE1 3.55Å; F191-H253 AromaticContact CD2-CG 3.89Å; F191-H253 AromaticContact CD2-ND1 3.48Å; F191-H253 WeakPolarHBondContact CD2-ND1 3.16Å; F191-H253 HydrophobicContact CE2-CB 4.36Å; F191-H253 AromaticContact CE2-CD2 3.42Å; F191-H253 VanDerWaalsContact CE2-CD2 3.42Å; F191-H253 WeakPolarHBondContact CE2-CD2 3.42Å; F191-H253 AromaticContact CE2-CE1 3.43Å; F191-H253 VanDerWaalsContact CE2-CE1 3.43Å; F191-H253 WeakPolarHBondContact CE2-CE1 3.47Å; F191-H253 AromaticContact CE2-CG 3.51Å; F191-H253 AromaticContact CE2-ND1 3.53Å; F191-H253 AromaticContact CE2-NE2 3.39Å; F191-H253 WeakPolarHBondContact CE2-NE2 3.4Å; F191-H253 AromaticContact CZ-CD2 3.93Å; F191-H253 AromaticContact CZ-CE1 3.91Å; F191-H253 AromaticContact CZ-NE2 3.58Å; E249-H253 PolarHBondContact O-CD2 3.28Å; E249-H253 VanDerWaalsContact O-CD2 3.28Å; E249-H253 PolarHBondContact O-N 3.46Å; A250-H253 PolarHBondContact O-N 2.89Å; H253-S257 VanDerWaalsContact O-CB 3.27Å; H253-S257 WeakPolarHBondContact O-CB 3.24Å; H253-S257 PolarHBondContact O-N 3.28Å; H253-S257 PolarHBondContact O-OG 3.03Å
254A92.9Very high90.7Very high0 Ų042.5 Ų42.50%023%0.231CC..Hα-helixtrans-62.5-45.7174.400000112.6V205 F223 F226 F245 A250 A251 A252 S257 V258V205-A254 HydrophobicContact CG2-CB 4.31Å; F223-A254 HydrophobicContact CD1-CB 3.81Å; F223-A254 HydrophobicContact CE1-CB 4.02Å; F226-A254 HydrophobicContact CB-CB 3.88Å; F226-A254 HydrophobicContact CD2-CB 3.89Å; F226-A254 HydrophobicContact CG-CB 3.95Å; F245-A254 HydrophobicContact CE2-CB 3.66Å; F245-A254 HydrophobicContact CZ-CB 3.65Å; A250-A254 VanDerWaalsContact O-CB 3.31Å; A250-A254 WeakPolarHBondContact O-CB 3.4Å; A250-A254 PolarHBondContact O-N 3.25Å; A251-A254 PolarHBondContact O-N 3.43Å; A252-A254 VanDerWaalsContact C-N 3.31Å; A252-A254 PolarHBondContact O-N 3.47Å; A254-S257 PolarHBondContact O-N 2.91Å; A254-V258 VanDerWaalsContact O-CB 3.31Å; A254-V258 WeakPolarHBondContact O-CB 3.43Å; A254-V258 WeakPolarHBondContact O-CG2 3.47Å; A254-V258 PolarHBondContact O-N 3.42Å
255I93.5Very high89.9Confident4 Ų440.4 Ų40.42%0.02124%0.244CC..Hα-helixtrans-59.7-48.6176.5-73.1161.4000110.9L189 V194 V205 A251 A252 S257 N259 C270 W272L189-I255 HydrophobicContact CD1-CG2 3.97Å; V194-I255 HydrophobicContact CG1-CB 3.84Å; V194-I255 HydrophobicContact CG1-CD1 4.13Å; V194-I255 HydrophobicContact CG1-CG2 3.6Å; V194-I255 HydrophobicContact CG2-CG2 4.15Å; V205-I255 HydrophobicContact CB-CG1 4.29Å; V205-I255 HydrophobicContact CG1-CD1 4.41Å; V205-I255 HydrophobicContact CG1-CG1 3.66Å; V205-I255 HydrophobicContact CG2-CD1 4.04Å; V205-I255 HydrophobicContact CG2-CG1 3.83Å; A251-I255 WeakPolarHBondContact O-CG1 3.46Å; A251-I255 PolarHBondContact O-N 3.49Å; A252-I255 PolarHBondContact O-N 3.18Å; I255-S257 VanDerWaalsContact C-N 3.33Å; I255-S257 PolarHBondContact O-N 3.26Å; I255-N259 WeakPolarHBondContact O-CB 3.27Å; I255-N259 PolarHBondContact O-N 3.31Å; I255-N259 VanDerWaalsContact O-N 3.08Å; I255-C270 HydrophobicContact CG1-CB 4.38Å; I255-W272 HydrophobicContact CD1-CD2 3.55Å; I255-W272 HydrophobicContact CD1-CE3 3.79Å; I255-W272 HydrophobicContact CD1-CG 3.99Å; I255-W272 HydrophobicContact CD1-CH2 4.28Å; I255-W272 HydrophobicContact CD1-CZ2 4.09Å; I255-W272 HydrophobicContact CD1-CZ3 4.14Å
256V89.6Confident89.4Confident37 Ų3741.8 Ų41.822%0.22425%0.252CS..Hα-helixtrans-59.9-43.8179.6169.40000111.9L189 F191 V194 A252L189-V256 HydrophobicContact CB-CG2 4.22Å; L189-V256 VanDerWaalsContact O-CG1 3.28Å; L189-V256 WeakPolarHBondContact O-CG1 3.25Å; F191-V256 HydrophobicContact CB-CG2 4.46Å; V194-V256 HydrophobicContact CB-CG2 4Å; V194-V256 HydrophobicContact CG1-CG2 4.44Å; V194-V256 HydrophobicContact CG2-CG2 3.73Å; A252-V256 WeakPolarHBondContact O-CG2 3.24Å; A252-V256 PolarHBondContact O-N 3.07Å
257S87.1Confident89.2Confident56 Ų5642.2 Ų42.239%0.39225%0.253SS..Hα-helixtrans-84-31-170.1-52.50000113.4F226 H253 A254 I255 T261F226-S257 WeakPolarHBondContact CE1-OG 3.49Å; F226-S257 VanDerWaalsContact CZ-CB 3.48Å; H253-S257 VanDerWaalsContact O-CB 3.27Å; H253-S257 WeakPolarHBondContact O-CB 3.24Å; H253-S257 PolarHBondContact O-N 3.28Å; H253-S257 PolarHBondContact O-OG 3.03Å; A254-S257 PolarHBondContact O-N 2.91Å; I255-S257 VanDerWaalsContact C-N 3.33Å; I255-S257 PolarHBondContact O-N 3.26Å; S257-T261 WeakPolarHBondContact O-CG2 3.28Å
258V91.3Very high89.1Confident4 Ų440.1 Ų40.12%0.02424%0.238CC..Hα-helixtrans-98.6-26-174.8-172.80000111.9T222 F223 F226 A254 G260 T261 I263 V268T222-V258 HydrophobicContact CG2-CG1 4.01Å; T222-V258 HydrophobicContact CG2-CG2 4.22Å; F223-V258 HydrophobicContact CD1-CG2 4.26Å; F223-V258 HydrophobicContact CE1-CB 4.02Å; F223-V258 HydrophobicContact CE1-CG1 4.15Å; F223-V258 HydrophobicContact CE1-CG2 3.84Å; F223-V258 HydrophobicContact CE2-CG1 4.37Å; F223-V258 HydrophobicContact CZ-CB 4.13Å; F223-V258 HydrophobicContact CZ-CG1 3.75Å; F223-V258 HydrophobicContact CZ-CG2 4.26Å; F226-V258 HydrophobicContact CD2-CG2 4.22Å; F226-V258 HydrophobicContact CE2-CG2 3.37Å; F226-V258 HydrophobicContact CZ-CG2 3.82Å; A254-V258 VanDerWaalsContact O-CB 3.31Å; A254-V258 WeakPolarHBondContact O-CB 3.43Å; A254-V258 WeakPolarHBondContact O-CG2 3.47Å; A254-V258 PolarHBondContact O-N 3.42Å; V258-G260 PolarHBondContact O-N 2.64Å; V258-T261 WeakPolarHBondContact O-CB 3.37Å; V258-T261 WeakPolarHBondContact O-CG2 3.17Å; V258-T261 PolarHBondContact O-N 2.68Å; V258-T261 PolarHBondContact O-OG1 3.3Å; V258-I263 HydrophobicContact CG1-CD1 4.26Å; V258-V268 HydrophobicContact CG1-CG2 3.84Å; V258-V268 WeakPolarHBondContact O-CG2 3.31Å
259N90.6Very high89.2Confident21 Ų2145 Ų4511%0.11226%0.259CS..THydrogen-bonded Turntrans-62.5122-179.8-176.841.1000111.8T186 L189 I255 T261 K269 C270T186-N259 WeakPolarHBondContact CG2-O 3.35Å; L189-N259 HydrophobicContact CD1-CB 4.2Å; L189-N259 VanDerWaalsContact CD1-ND2 3.33Å; L189-N259 WeakPolarHBondContact CD1-ND2 3.4Å; I255-N259 WeakPolarHBondContact O-CB 3.27Å; I255-N259 PolarHBondContact O-N 3.31Å; I255-N259 VanDerWaalsContact O-N 3.08Å; N259-T261 VanDerWaalsContact C-N 3.34Å; N259-K269 VanDerWaalsContact OD1-CA 3.29Å; N259-K269 WeakPolarHBondContact OD1-CA 3.46Å; N259-C270 HydrophobicContact CB-CB 3.94Å; N259-C270 PolarHBondContact OD1-N 2.91Å
260G82.4Confident89.3Confident24 Ų2439.2 Ų39.225%0.24723%0.232CC..THydrogen-bonded Turntrans81.76.7-176.200000114.9V258 V268V258-G260 PolarHBondContact O-N 2.64Å; G260-V268 WeakPolarHBondContact CA-O 3.45Å; G260-V268 PolarHBondContact N-O 2.75Å
261T87.8Confident89.3Confident55 Ų5544.3 Ų44.334%0.33725%0.251SS..  trans-84.1176.9170.467.40000111.4S257 V258 N259 I267 V268S257-T261 WeakPolarHBondContact O-CG2 3.28Å; V258-T261 WeakPolarHBondContact O-CB 3.37Å; V258-T261 WeakPolarHBondContact O-CG2 3.17Å; V258-T261 PolarHBondContact O-N 2.68Å; V258-T261 PolarHBondContact O-OG1 3.3Å; N259-T261 VanDerWaalsContact C-N 3.34Å; T261-I267 CarbonylContact O-C 3.53Å; T261-I267 WeakPolarHBondContact O-CA 3.27Å; T261-V268 PolarHBondContact O-N 3.17Å
262S87.3Confident89.4Confident75 Ų7545.9 Ų45.952%0.52426%0.257SS..EExtended strand (participates in β ladder)trans-109.3130.9177.4-169.70000111G265 N266S262-G265 VanDerWaalsContact OG-CA 3.31Å; S262-G265 WeakPolarHBondContact OG-CA 3.27Å; S262-N266 CarbonylContact C-O 3.45Å; S262-N266 VanDerWaalsContact CA-O 3.28Å; S262-N266 WeakPolarHBondContact CA-O 3.29Å
263I88.7Confident89.2Confident8 Ų846 Ų464%0.04126%0.258CS..EExtended strand (participates in β ladder)trans-124.6124.9171.4-55.5-177.6000107V210 I218 M219 T222 V258 G265 N266 V268V210-I263 HydrophobicContact CG2-CB 4.22Å; V210-I263 HydrophobicContact CG2-CG2 4.42Å; I218-I263 HydrophobicContact CD1-CG2 4.39Å; I218-I263 HydrophobicContact CG1-CG2 3.6Å; M219-I263 HydrophobicContact CE-CD1 3.72Å; M219-I263 HydrophobicContact CE-CG2 4.02Å; T222-I263 HydrophobicContact CG2-CD1 3.77Å; T222-I263 HydrophobicContact CG2-CG1 4.36Å; V258-I263 HydrophobicContact CG1-CD1 4.26Å; I263-G265 PolarHBondContact O-N 3.29Å; I263-N266 PolarHBondContact N-O 2.83Å; I263-N266 WeakPolarHBondContact O-CB 3.39Å; I263-N266 PolarHBondContact O-N 3.32Å; I263-V268 HydrophobicContact CB-CG1 3.88Å; I263-V268 HydrophobicContact CD1-CB 4.43Å; I263-V268 HydrophobicContact CD1-CG1 3.83Å; I263-V268 HydrophobicContact CD1-CG2 3.95Å; I263-V268 HydrophobicContact CG1-CG1 3.78Å; I263-V268 HydrophobicContact CG1-CG2 4.05Å
264E83.8Confident88.7Confident121 Ų12150.8 Ų50.857%0.56528%0.278SS*.THydrogen-bonded Turntrans49.241.9-174.5-63.2-57.8118.600112.8I218 N266I218-E264 HydrophobicContact CG1-CG 4.43Å; E264-N266 PolarHBondContact O-N 2.83Å; E264-N266 VanDerWaalsContact O-N 3.1Å; E264-N266 PolarHBondContact O-ND2 2.6Å
265G78.9Confident87.3Confident68 Ų6855.7 Ų55.770%0.70130%0.301SS*.THydrogen-bonded Turntrans73-7.4-176.700000115.6S262 I263S262-G265 VanDerWaalsContact OG-CA 3.31Å; S262-G265 WeakPolarHBondContact OG-CA 3.27Å; I263-G265 PolarHBondContact O-N 3.29Å
266N85.3Confident85.4Confident29 Ų2960.2 Ų60.216%0.15533%0.328CS..EExtended strand (participates in β ladder)trans-91.2131.5-179.7-67.5-96.7000111.1G209 T211 S262 I263 E264 V268G209-N266 WeakPolarHBondContact O-CB 3.38Å; G209-N266 PolarHBondContact O-OD1 3.21Å; T211-N266 PolarHBondContact N-OD1 2.97Å; T211-N266 VanDerWaalsContact N-OD1 3.15Å; T211-N266 PolarHBondContact OG1-OD1 3.39Å; S262-N266 CarbonylContact C-O 3.45Å; S262-N266 VanDerWaalsContact CA-O 3.28Å; S262-N266 WeakPolarHBondContact CA-O 3.29Å; I263-N266 PolarHBondContact N-O 2.83Å; I263-N266 WeakPolarHBondContact O-CB 3.39Å; I263-N266 PolarHBondContact O-N 3.32Å; E264-N266 PolarHBondContact O-N 2.83Å; E264-N266 VanDerWaalsContact O-N 3.1Å; E264-N266 PolarHBondContact O-ND2 2.6Å; N266-V268 PolarHBondContact O-N 3.46Å
267I86.9Confident83.4Confident107 Ų10765 Ų6555%0.54936%0.358SS..EExtended strand (participates in β ladder)trans-74.1117.7174-57.5176.2000109.3T261T261-I267 CarbonylContact O-C 3.53Å; T261-I267 WeakPolarHBondContact O-CA 3.27Å
268V91.8Very high81.3Confident0 Ų069 Ų690%038%0.375CS..PPolyproline II helixtrans-95153.4-177.5-56.20000112.6G208 V210 V258 G260 T261 I263 N266G208-V268 CarbonylContact O-C 3.58Å; G208-V268 WeakPolarHBondContact O-CA 3.39Å; V210-V268 HydrophobicContact CG2-CG1 3.34Å; V258-V268 HydrophobicContact CG1-CG2 3.84Å; V258-V268 WeakPolarHBondContact O-CG2 3.31Å; G260-V268 WeakPolarHBondContact CA-O 3.45Å; G260-V268 PolarHBondContact N-O 2.75Å; T261-V268 PolarHBondContact O-N 3.17Å; I263-V268 HydrophobicContact CB-CG1 3.88Å; I263-V268 HydrophobicContact CD1-CB 4.43Å; I263-V268 HydrophobicContact CD1-CG1 3.83Å; I263-V268 HydrophobicContact CD1-CG2 3.95Å; I263-V268 HydrophobicContact CG1-CG1 3.78Å; I263-V268 HydrophobicContact CG1-CG2 4.05Å; N266-V268 PolarHBondContact O-N 3.46Å
269K92Very high79Confident119 Ų11976.4 Ų76.452%0.51741%0.412SS..EExtended strand (participates in β ladder)trans-122.5122.2176.9-61.6178.9-177.2172.90109C207 G208 N259 Y271C207-K269 WeakPolarHBondContact CA-O 3.32Å; G208-K269 PolarHBondContact N-O 3.31Å; G208-K269 PolarHBondContact O-N 2.93Å; N259-K269 VanDerWaalsContact OD1-CA 3.29Å; N259-K269 WeakPolarHBondContact OD1-CA 3.46Å; K269-Y271 HydrophobicContact CB-CD2 4.48Å; K269-Y271 HydrophobicContact CB-CE2 3.68Å
270C92.6Very high76.4Confident0 Ų080 Ų800%045%0.446CS..EExtended strand (participates in β ladder)trans-112.7133.5-179.6-54.60000110.6V205 Y206 C207 I255 N259V205-C270 HydrophobicContact CG1-CB 4.14Å; Y206-C270 VanDerWaalsContact O-CA 3.26Å; Y206-C270 WeakPolarHBondContact O-CA 3.06Å; C207-C270 VanDerWaalsContact SG-SG 3.67Å; I255-C270 HydrophobicContact CG1-CB 4.38Å; N259-C270 HydrophobicContact CB-CB 3.94Å; N259-C270 PolarHBondContact OD1-N 2.91Å
271Y94Very high74.2Confident113 Ų11387.8 Ų87.844%0.44348%0.476SS..EExtended strand (participates in β ladder)trans-145.3170-179.5-57.9-67000109.6Y206 K269 G273Y206-Y271 HydrophobicContact CD1-CD2 4.11Å; Y206-Y271 HydrophobicContact CE1-CD2 4.4Å; Y206-Y271 PolarHBondContact N-O 3.34Å; Y206-Y271 PolarHBondContact O-N 3.5Å; K269-Y271 HydrophobicContact CB-CD2 4.48Å; K269-Y271 HydrophobicContact CB-CE2 3.68Å; Y271-G273 PolarHBondContact O-N 3Å
272W94.8Very high71.8Confident33 Ų3387.8 Ų87.813%0.12549%0.486CS..EExtended strand (participates in β ladder)trans-60.6129166.6-69.5114000110.9V194 N202 H248 A251 A252 I255V194-W272 HydrophobicContact CG1-CZ2 4.12Å; V194-W272 PolarHBondContact O-NE1 3.42Å; N202-W272 WeakPolarHBondContact O-CZ3 3.49Å; H248-W272 AromaticContact CE1-CH2 3.38Å; H248-W272 WeakPolarHBondContact CE1-CH2 3.45Å; H248-W272 AromaticContact CE1-CZ2 3.49Å; H248-W272 VanDerWaalsContact CE1-CZ2 3.49Å; H248-W272 WeakPolarHBondContact CE1-CZ2 3.48Å; H248-W272 AromaticContact ND1-CH2 3.32Å; H248-W272 VanDerWaalsContact ND1-CH2 3.32Å; H248-W272 WeakPolarHBondContact ND1-CH2 3.48Å; H248-W272 AromaticContact ND1-CZ2 3.94Å; H248-W272 AromaticContact ND1-CZ3 3.81Å; A251-W272 HydrophobicContact CB-CH2 3.76Å; A251-W272 HydrophobicContact CB-CZ3 3.49Å; A251-W272 VanDerWaalsContact CB-CZ3 3.49Å; A252-W272 HydrophobicContact CB-CH2 4.08Å; A252-W272 HydrophobicContact CB-CZ2 3.9Å; I255-W272 HydrophobicContact CD1-CD2 3.55Å; I255-W272 HydrophobicContact CD1-CE3 3.79Å; I255-W272 HydrophobicContact CD1-CG 3.99Å; I255-W272 HydrophobicContact CD1-CH2 4.28Å; I255-W272 HydrophobicContact CD1-CZ2 4.09Å; I255-W272 HydrophobicContact CD1-CZ3 4.14Å
273G89.4Confident69.5Low2 Ų290.9 Ų90.92%0.02151%0.505CS..PPolyproline II helixtrans-63.5139.316700000109.4N202 T204 Y271 E275N202-G273 PolarHBondContact ND2-O 3.48Å; T204-G273 PolarHBondContact O-N 3.43Å; Y271-G273 PolarHBondContact O-N 3Å; G273-E275 PolarHBondContact O-N 2.91Å
274K82.9Confident67Low191 Ų19198 Ų9883%0.8354%0.541SS*.PPolyproline II helixtrans-63.7126.6170.4-66.8-172.8178.5-175.10108.2T276K274-T276 PolarHBondContact O-N 3.15Å
275E62.4Low64.8Low103 Ų103100.3 Ų100.348%0.48155%0.552SS.*  trans-64.497.4179.4-168.1166.6-165.400109.2S201 G273 T277S201-E275 PolarHBondContact OG-OE1 3.34Å; G273-E275 PolarHBondContact O-N 2.91Å; E275-T277 PolarHBondContact O-N 3.39Å
276T52.8Low62.5Low99 Ų99105.7 Ų105.761%0.60756%0.559SS**  trans-73.7105.8167.947.20000107.4K274 D278K274-T276 PolarHBondContact O-N 3.15Å; T276-D278 PolarHBondContact O-N 2.93Å
277T48.5Very low60.2Low136 Ų136110.4 Ų110.483%0.83459%0.588SS**  trans-70.170173.451.80000110.5E275E275-T277 PolarHBondContact O-N 3.39Å
278D42.3Very low57.5Low141 Ų141113.6 Ų113.675%0.75460%0.601SS**  trans-145.7154.5176.6-135.8-44.6000111.7T276T276-D278 PolarHBondContact O-N 2.93Å
279I43.9Very low54.7Low159 Ų159122.6 Ų122.682%0.81565%0.645SS**  trans74.372.4-175-42.8169.5000114.6
280A36.8Very low51.9Low98 Ų98121 Ų12181%0.8165%0.654SS**  trans-143.730.514800000113.4
281Q36.3Very low49.2Very low187 Ų187130.5 Ų130.587%0.87470%0.699SS**  trans-136.594.1162.2-72.5-165.7-1.600110.8
282G35.7Very low46.2Very low54 Ų54133.8 Ų133.856%0.55772%0.718SS**  trans-67.4165.8147.200000109.7I284G282-I284 PolarHBondContact O-N 2.89Å
283P39.3Very low43.2Very low141 Ų141138.6 Ų138.692%0.91675%0.746SS**  trans-73.974.2-173.931.3-36.1000112.1Q285P283-Q285 PolarHBondContact O-N 3.07Å; P283-Q285 VanDerWaalsContact O-N 3.12Å
284I37.6Very low40.3Very low158 Ų158144.2 Ų144.281%0.8178%0.78SS**  trans-80.694.1168.2-60.5-176000108.1G282 Q286G282-I284 PolarHBondContact O-N 2.89Å; I284-Q286 PolarHBondContact O-N 3.49Å; I284-Q286 VanDerWaalsContact O-N 3.13Å
285Q36.9Very low37.7Very low169 Ų169142.3 Ų142.379%0.7978%0.778SS**  trans-28.2106.6160.1-165.6167.815.200112.4P283 V287P283-Q285 PolarHBondContact O-N 3.07Å; P283-Q285 VanDerWaalsContact O-N 3.12Å; Q285-V287 PolarHBondContact O-N 2.87Å
286Q29.6Very low36Very low180 Ų180141.5 Ų141.584%0.84178%0.784SS**  trans-70.397174.5-73.2-174.41.700109.9I284 Q288I284-Q286 PolarHBondContact O-N 3.49Å; I284-Q286 VanDerWaalsContact O-N 3.13Å; Q286-Q288 PolarHBondContact O-N 3.38Å; Q286-Q288 VanDerWaalsContact O-N 3.1Å
287V37Very low34.8Very low129 Ų129146.3 Ų146.378%0.78280%0.797SS**  trans-74.495164.5-179.30000107.7Q285 M289Q285-V287 PolarHBondContact O-N 2.87Å; V287-M289 PolarHBondContact O-N 3.41Å
288Q29.9Very low33.9Very low174 Ų174144.6 Ų144.681%0.81380%0.797SS**  trans-76.799.6179.1-172.4172.28.900110.2Q286 A290Q286-Q288 PolarHBondContact O-N 3.38Å; Q286-Q288 VanDerWaalsContact O-N 3.1Å; Q288-A290 PolarHBondContact O-N 3.25Å
289M33.3Very low33.2Very low188 Ų188142 Ų14293%0.92680%0.795SS**  trans-73.6108.6166.6-110.5179.5176.200109.3V287V287-M289 PolarHBondContact O-N 3.41Å
290A33.4Very low32.7Very low86 Ų86142.9 Ų142.971%0.71180%0.796SS**  trans-76.8128.7-179.200000111.8Q288Q288-A290 PolarHBondContact O-N 3.25Å
291Q36.3Very low33.2Very low200 Ų200143.5 Ų143.594%0.93579%0.791SS**  trans-86121.2159.1-177.6-179.469.300107.8
292Q31.6Very low32.6Very low181 Ų181144.1 Ų144.185%0.84679%0.787SS**  trans-144.391.9177.5-167.2173.951.400113
293N32.1Very low32.3Very low134 Ų134146.8 Ų146.872%0.71779%0.788SS**  -167.8120.4124.5-134.7-13.2000105.7
294T28.4Very low31.6Very low120 Ų120146.2 Ų146.274%0.73677%0.774SS**SBendcis-140.713345.240.90000114.4
295L26.8Very low31Very low151 Ų151148.4 Ų148.479%0.79177%0.772SS**  trans32.8135.1144.5-56.9168000119.9
296S27.7Very low30.7Very low86 Ų86142.8 Ų142.860%0.60176%0.759SS**  cis178134.7-11.940.70000105.9
297F26.8Very low30.5Very low200 Ų200141.3 Ų141.388%0.87775%0.752SS**  -172.8139.196.5-117.1-97.2000111.5
298A29.3Very low29.9Very low100 Ų100143.7 Ų143.783%0.82675%0.747SS**  trans23.3127161.200000121.9
299A28.3Very low29.7Very low87 Ų87146.1 Ų146.172%0.71975%0.751SS**  trans-134.7132.6166.400000112
300Q33.9Very low29.2Very low178 Ų178142.3 Ų142.383%0.83274%0.743SS**  trans63.9-178.9154.5-57.5-60.4-29.500117.3
301P46.1Very low28.9Very low110 Ų110145.1 Ų145.171%0.71475%0.746SS**  cis-132.1170.6-25.418.54.4000114.3
302Y24.3Very low28.4Very low201 Ų201140.3 Ų140.379%0.78873%0.73SS**  trans-164.3115.1136.1-149.9-104.8000116.2
303N29.7Very low28.2Very low109 Ų109139.7 Ų139.758%0.58373%0.727SS**  trans29.8129.7130.3-109.830000125
304Q25.5Very low28Very low130 Ų130141.1 Ų141.161%0.60773%0.729SS**  98.2147.6115.7-147-17932.100122.7
305W24.8Very low27.9Very low203 Ų203143 Ų14377%0.76973%0.733SS**  trans74.4145.5171.7-54.694.9000117.2W308W305-W308 HydrophobicContact CZ3-CH2 4.39Å
306G29.6Very low28Very low51 Ų51139.2 Ų139.253%0.52673%0.731SS.*  cis168.2127.7-11.100000113.6
307Q25.8Very low28.1Very low150 Ų150144 Ų14470%0.70174%0.744SS**  61.3170.1129.5-76.3-93.440.700123.7
308W24.8Very low28.2Very low178 Ų178145 Ų14567%0.67474%0.744SS**  trans74.4109.3166.312.488.7000123.5W305W305-W308 HydrophobicContact CZ3-CH2 4.39Å
309Y24.6Very low28.6Very low225 Ų225146.5 Ų146.588%0.88274%0.742SS**  trans21.4136.9132.9-64.7-84.4000124.3
310S24.6Very low28.9Very low109 Ų109147.9 Ų147.976%0.76274%0.744SS**  125.5108.3123-157.50000118.7
311N26.4Very low28.7Very low144 Ų144147.5 Ų147.577%0.7775%0.747SS**  trans46.5140.8131.1-150.611.9000124
312T25.1Very low27.9Very low99 Ų99145.1 Ų145.161%0.60774%0.743SS**  trans103.1116.2146.8-31.60000119.6
313Q28.6Very low28Very low169 Ų169147.1 Ų147.179%0.7975%0.749SS**  trans15.2130150.7-47.8-178.761.700121.2
314Q27Very low28Very low163 Ų163149.9 Ų149.976%0.76276%0.759SS**  176.4167.495.5-93.4-13543.500114.7
315I26.7Very low28.3Very low159 Ų159150.2 Ų150.282%0.81577%0.769SS**  trans-33139.9174.8-61.7168.4000116.2
316G27.9Very low28.7Very low72 Ų72147 Ų14774%0.74277%0.774SS**  trans178115.7160.300000114.5
317Q30.2Very low28.7Very low186 Ų186149.8 Ų149.887%0.86979%0.786SS**  trans-67141.6160.5-72.1175.5-23.600109.5
318Y29.4Very low28.8Very low223 Ų223153.3 Ų153.388%0.87579%0.794SS**  -169.3145.9125.9-124.5-96.2000111.1
319V36.6Very low29.1Very low131 Ų131149.7 Ų149.779%0.79480%0.796SS**  trans-117.8142.7172.2-110.30000109.3
320P35.7Very low29.3Very low116 Ų116144.4 Ų144.475%0.75379%0.787SS**  trans-134.4132.9149.327.8-10.2000113.6
321N30.5Very low29.6Very low170 Ų170150.2 Ų150.291%0.90979%0.794SS**  trans29.5135158.1-68.62.5000121.4
322G28Very low29.8Very low60 Ų60146.2 Ų146.262%0.61979%0.786SS**  cis158.6172.4-100000111.9
323W26.6Very low30.1Very low242 Ų242149.7 Ų149.792%0.91780%0.796SS**  trans179.4158.4141.5-94109.6000109.1
324Q30.2Very low30Very low168 Ų168147 Ų14779%0.78579%0.791SS**  trans-95.1157.9-153.5-66.2161.3-37.600115.2
325V31.8Very low30Very low136 Ų136149.8 Ų149.882%0.82480%0.795SS**  trans-127.6145.8166.3-71.30000110.6
326P33.3Very low30.1Very low135 Ų135147.8 Ų147.888%0.87779%0.785SS**  trans-74.5160.8176.3-16.132000113.9
327S28.6Very low30.3Very low110 Ų110150.9 Ų150.977%0.76978%0.781SS**  trans-90.6156.1-161.754.50000116.4
328Y29.1Very low30.3Very low225 Ų225150.5 Ų150.588%0.88278%0.779SS**  trans-126.3118.2151.3-122.1-90.4000108.1
329S30.8Very low30.1Very low102 Ų102143.2 Ų143.271%0.71377%0.772SS**  trans-95.6123.7162.435.30000107.4
330V28.1Very low29.8Very low114 Ų114147.6 Ų147.669%0.69178%0.775SS**  cis68.7101.949.4-1750000113
331Y31.1Very low29.7Very low231 Ų231147.9 Ų147.991%0.90677%0.771SS**  164.8134.3128.8-98.2-75.9000107.7
332G30.7Very low29.8Very low59 Ų59148.6 Ų148.661%0.60877%0.768SS**  cis154.2133.4-12.800000111.9
333Q31.2Very low29.8Very low173 Ų173152 Ų15281%0.80877%0.772SS**  trans61.4139.8155.5-59.5-79.19.300117
334T27.1Very low30.1Very low112 Ų112149 Ų14969%0.68777%0.767SS**  cis-163.7148.13037.70000112.9
335W25.7Very low30.1Very low222 Ų222145.5 Ų145.584%0.84177%0.767SS**  trans51.3141.7136.3-65.273.7000126.5
336D29.6Very low29.9Very low116 Ų116142.3 Ų142.362%0.6276%0.762SS**  trans72.8109.8149.1-102.6-116.4000126.3
337Q31.3Very low29.9Very low138 Ų138140.8 Ų140.865%0.64576%0.76SS**  53.7128114-158.5170.4155.600123.7
338Q30.6Very low29.9Very low178 Ų178139 Ų13983%0.83276%0.76SS**  trans63138.3155.2-76.6175.736.900120.4
339G26.7Very low29.9Very low70 Ų70140 Ų14072%0.72276%0.762SS**  trans136.2105.8143.300000118.7
340Y29.6Very low30Very low222 Ų222141.5 Ų141.587%0.87177%0.767SS**  trans60.3128.7140.3-90.5-100.9000124.1
341N32.8Very low30.3Very low123 Ų123139.3 Ų139.366%0.65877%0.767SS**  trans-15.8144.5149.5-75.1-64.8000118.3
342H33.3Very low30.2Very low184 Ų184135.8 Ų135.885%0.85277%0.77SS**  -158144.5112.8-113.8-81.2000113
343L28.4Very low30.1Very low133 Ų133136.5 Ų136.570%0.69678%0.777SS**  trans-85.4150.6171.8-51.694.5000110.7
344H32.7Very low30.2Very low178 Ų178132.5 Ų132.582%0.82477%0.774SS**  -176.5157.8101.5-126.465.1000114.6
345A29.2Very low30.4Very low94 Ų94134 Ų13478%0.77778%0.782SS**  trans16.5148.4155.300000122.1
346G27.7Very low30.7Very low70 Ų70127.9 Ų127.972%0.72277%0.773SS**  cis160.2-159.45.700000111.8
347A33.2Very low31Very low102 Ų102130.3 Ų130.384%0.84379%0.786SS**  trans70.397.1-178.700000116.5
348G29.1Very low30.9Very low73 Ų73127.4 Ų127.475%0.75379%0.794SS**  trans-90.4168151.300000110.7
349W30Very low30.9Very low247 Ų247123 Ų12394%0.93680%0.796SS**  trans-141.8144.6164.8-100.685000111.1
350T33Very low31.2Very low132 Ų132128.6 Ų128.681%0.8181%0.805SS**  trans-116.1155.1-178.2470000110.9
351G32.8Very low31.6Very low68 Ų68125.2 Ų125.270%0.70181%0.807SS**  trans130.6101.3171.200000111.4
352V30.3Very low31.7Very low158 Ų158127.5 Ų127.596%0.95881%0.814SS**  80.112058.9179.90000113.2
353G28.3Very low32.7Very low74 Ų74123.9 Ų123.976%0.76381%0.807SS**  trans120136.4166.900000114.3
354A32.2Very low32.9Very low89 Ų89121.3 Ų121.374%0.73681%0.812SS**  cis164.2140-25.600000107.7
355V32.4Very low33.1Very low144 Ų144122.2 Ų122.287%0.87382%0.817SS**  trans71.2145.7155.4178.10000115
356S32.6Very low33.3Very low93 Ų93121.1 Ų121.165%0.6582%0.815SS**  cis-156.6166.11228.30000112.9
357N35.3Very low33.7Very low166 Ų166123.9 Ų123.989%0.88882%0.818SS**  trans71.2139.7157.2-77.83.7000119.3
358G29.7Very low33.8Very low78 Ų78126.9 Ų126.980%0.80482%0.819SS**  cis161.7146-6.200000112.3
359G29.7Very low34.1Very low85 Ų85126.5 Ų126.588%0.87682%0.815SS**  trans158.479.6178.100000114.4
360M34Very low34.3Very low187 Ų187120.9 Ų120.992%0.92181%0.808SS**  trans-98.8146.1170.1-66.3168.2168.800110.3
361V36.4Very low34.5Very low151 Ų151122.8 Ų122.892%0.91581%0.81SS**  trans-140.8130.9151.4-1670000107.9
362E35.2Very low34.8Very low172 Ų172127.6 Ų127.680%0.80482%0.819SS**  trans-128.3-165.7-176.8-145.9-162.5106.100109.6
363P54.8Low35.3Very low108 Ų108126 Ų12670%0.70181%0.81SS**  -110.1-177.1-115.541.3-27.5000114.6
364G33Very low35.7Very low78 Ų78130.3 Ų130.380%0.80482%0.815SS**  trans-129.6123.7168.700000112.8
365Q36.1Very low35.8Very low197 Ų197134.1 Ų134.192%0.92182%0.818SS**  trans-117.2155.1169.5-78.5-169.7-19.100110.9
366G33.9Very low36.1Very low71 Ų71131.5 Ų131.573%0.73281%0.811SS**  trans139.3144.9157.100000115.6
367V36.4Very low36.2Very low129 Ų129131.1 Ų131.178%0.78282%0.822SS**  cis-173.3146.9-40.7129.50000109.1
368N35.4Very low36.4Very low165 Ų165131.5 Ų131.588%0.88282%0.821SS**  trans69.1147.9162.7-94.6-42.5000122.7
369G34.3Very low36.7Very low64 Ų64132.9 Ų132.966%0.6682%0.818SS**  trans164.643.2165.600000122.7
370T34.8Very low37.1Very low129 Ų129134.3 Ų134.379%0.79181%0.81SS**  trans50.9119.7152.542.70000124.3
371M37.8Very low37.4Very low173 Ų173132 Ų13285%0.85281%0.806SS**  trans25.4131.4132.7-58.5-160.8-78.300122.6
372L39.2Very low37.4Very low169 Ų169128.6 Ų128.689%0.88580%0.802SS**  -161.7137.8122.8-110.4162.2000113.2
373T39.6Very low38.1Very low124 Ų124131.2 Ų131.276%0.76181%0.806SS**  trans-78.1149.2172.3440000112.4
374N37.8Very low38.2Very low164 Ų164131.1 Ų131.188%0.87781%0.805SS**  -153.5164.4125.3-144.6-2.3000113.9
375Q34Very low39.2Very low169 Ų169133.1 Ų133.179%0.7980%0.802SS**  trans-123.4153.7-156.5174.3179.5-3.300112.3
376A37.5Very low39.9Very low89 Ų89135.6 Ų135.674%0.73681%0.813SS**  trans32.6133.6156.900000122.2
377G35.4Very low40.2Very low85 Ų85138.9 Ų138.988%0.87682%0.817SS**  trans-138.884.7155.600000110.7
378M39.1Very low40.4Very low175 Ų175139.4 Ų139.486%0.86282%0.819SS**  trans-81.2162.4168-76.5174.8153.700111.4
379S37Very low40.7Very low106 Ų106137.9 Ų137.974%0.74182%0.815SS**  trans86.6141.8157-50.60000117.5
380T38.2Very low41.1Very low116 Ų116142.3 Ų142.371%0.71283%0.825SS**  cis-165.8158.4-16.8230000109.8
381T40.2Very low41.5Very low139 Ų139143.1 Ų143.185%0.85383%0.827SS**  trans55.2133.6149.148.60000121.5
382G36.8Very low41.7Very low79 Ų79141.1 Ų141.181%0.81483%0.825SS**  trans166.759.1161.600000117.9
383Y48.4Very low41.9Very low226 Ų226139.1 Ų139.189%0.88682%0.821SS**  trans-70161.3152.5-84.9-76.6000108.9
384P57.7Low42.1Very low107 Ų107140.3 Ų140.370%0.69583%0.825SS**  cis-145.6176.732.544.9-25.5000118.5
385T54.4Low42.5Very low119 Ų119138.3 Ų138.373%0.7382%0.821SS**  trans10.2128.515058.70000120.1
386H51Low43.2Very low250 Ų250135.5 Ų135.5100%1.15782%0.824SS**  -151.4097.3-140.7-57.1000112.6

Retrieved 386 of 386 residues in 403.9 ms (Link to these results)

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