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Protein-glutamine gamma-glutamyltransferase 4

Associated with the mammalian reproductive process. Plays an important role in the formation of the seminal coagulum through the cross-linking of specific proteins present in the seminal plasma. Transglutaminase is also required to stabilize the copulatory plug.

AlphaFold DB , UniProt , Accession Z4YP11, Species RAT (Rattus norvegicus, Rat), Gene Tgm4, Length 667 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
1M47.1Very low74.4Confident247 Ų247108 Ų108100%1.21754%0.542SS*.  0119.70-79.2172.9175.800107S3M1-S3 PolarHBondContact O-N 3.19Å
2D43.8Very low76.3Confident95 Ų95100.9 Ų100.951%0.50851%0.508SS..  trans-74.3116.1-177.6-159.8-9.8000108.7R4 N5D2-R4 PolarHBondContact O-N 3.02Å; D2-R4 IonicContact OD1-NE 3.44Å; D2-R4 PolarHBondContact OD1-NE 3.33Å; D2-N5 PolarHBondContact O-N 2.72Å; D2-N5 VanDerWaalsContact O-N 3.14Å
3S51.2Low77.8Confident101 Ų10199.3 Ų99.371%0.70650%0.502SS*.G310 helixtrans-61.5-10.7-179.651.30000113.1M1 N5M1-S3 PolarHBondContact O-N 3.19Å; S3-N5 VanDerWaalsContact C-N 3.32Å; S3-N5 PolarHBondContact O-N 2.76Å
4R54.5Low79.1Confident206 Ų20693.1 Ų93.178%0.77747%0.471SS*.G310 helixtrans-75.8-10.4174.8-73.2-178.7-101.4-164.8-12.1115.1D2D2-R4 PolarHBondContact O-N 3.02Å; D2-R4 IonicContact OD1-NE 3.44Å; D2-R4 PolarHBondContact OD1-NE 3.33Å
5N68.6Low80.2Confident114 Ų11488.8 Ų88.861%0.6145%0.448SS*.G310 helixtrans-106.22.2179.7-86.3-12.6000115D2 S3 R49D2-N5 PolarHBondContact O-N 2.72Å; D2-N5 VanDerWaalsContact O-N 3.14Å; S3-N5 VanDerWaalsContact C-N 3.32Å; S3-N5 PolarHBondContact O-N 2.76Å; N5-R49 PolarHBondContact O-NE 3.44Å; N5-R49 PolarHBondContact O-NH2 3.46Å
6M83.4Confident81.1Confident122 Ų12289.8 Ų89.860%0.60145%0.449SS*.SBendtrans-65.5142.7176.7-87.7-179.157.900112V8 N48M6-V8 PolarHBondContact O-N 2.82Å; M6-N48 PolarHBondContact O-ND2 3.23Å
7L89.6Confident82Confident19 Ų1994.4 Ų94.410%0.09947%0.465CS..  trans-71.3123.2172.4-168.977000109.4L47 R49 L51 D55 L57L7-L47 HydrophobicContact CD1-CB 4.24Å; L7-L47 HydrophobicContact CD1-CD1 4.08Å; L7-L47 HydrophobicContact CD1-CD2 4.37Å; L7-L47 HydrophobicContact CD1-CG 4.45Å; L7-L47 HydrophobicContact CD2-CD1 4.3Å; L7-L47 HydrophobicContact CD2-CD2 4.06Å; L7-L47 HydrophobicContact CG-CD2 4.17Å; L7-R49 HydrophobicContact CD1-CG 4.31Å; L7-L51 HydrophobicContact CD1-CD1 4.39Å; L7-L51 HydrophobicContact CD2-CD1 3.58Å; L7-D55 HydrophobicContact CD2-CB 4.12Å; L7-L57 HydrophobicContact CD2-CB 4.47Å; L7-L57 HydrophobicContact CD2-CD1 4.29Å
8V92.7Very high82.8Confident64 Ų6495.6 Ų95.639%0.38847%0.473SS..  trans-118.3134.1179.6179.90000109.1M6 Y10 L47 N48M6-V8 PolarHBondContact O-N 2.82Å; V8-Y10 HydrophobicContact CG1-CD1 4.06Å; V8-Y10 HydrophobicContact CG1-CE1 4.02Å; V8-L47 CarbonylContact O-C 3.57Å; V8-L47 WeakPolarHBondContact O-CA 3.35Å; V8-N48 HydrophobicContact CB-CB 4.12Å; V8-N48 PolarHBondContact N-OD1 3.27Å; V8-N48 PolarHBondContact O-N 3.35Å; V8-N48 PolarHBondContact O-OD1 2.79Å
9V96.1Very high83.6Confident15 Ų1591 Ų919%0.09145%0.451CS..EExtended strand (participates in β ladder)trans-89.5116.2173178.50000108.6V12 V45 L47 L57 V116 N117 F119V9-V12 HydrophobicContact CG1-CG2 3.67Å; V9-V45 HydrophobicContact CB-CG1 4.5Å; V9-V45 HydrophobicContact CG1-CG1 3.74Å; V9-V45 HydrophobicContact CG2-CG1 4.11Å; V9-L47 HydrophobicContact CG2-CD2 3.93Å; V9-L57 HydrophobicContact CG2-CD1 4.1Å; V9-V116 HydrophobicContact CG2-CG1 3.99Å; V9-N117 HydrophobicContact CG2-CB 4.39Å; V9-F119 HydrophobicContact CB-CB 3.93Å; V9-F119 HydrophobicContact CG1-CB 3.73Å; V9-F119 HydrophobicContact CG1-CD1 4.43Å; V9-F119 HydrophobicContact CG1-CD2 4.24Å; V9-F119 HydrophobicContact CG1-CG 3.89Å
10Y94.6Very high84.3Confident154 Ų15487 Ų8760%0.60443%0.433SS*.EExtended strand (participates in β ladder)trans-87.2-37.8178.2-73.9-27.7000113.3V8 M46 N48 F119V8-Y10 HydrophobicContact CG1-CD1 4.06Å; V8-Y10 HydrophobicContact CG1-CE1 4.02Å; Y10-M46 PolarHBondContact N-O 3.04Å; Y10-N48 HydrophobicContact CD2-CB 4.41Å; Y10-N48 HydrophobicContact CE1-CB 4.11Å; Y10-N48 VanDerWaalsContact CE2-CA 3.44Å; Y10-N48 HydrophobicContact CE2-CB 3.7Å; Y10-N48 WeakPolarHBondContact OH-CB 3.36Å; Y10-F119 WeakPolarHBondContact O-CE2 3.32Å
11S96.4Very high85Confident51 Ų5185.5 Ų85.536%0.35743%0.434SS..EExtended strand (participates in β ladder)trans-156.5155.317669.40000112.1M46S11-M46 PolarHBondContact N-O 3.39Å; S11-M46 PolarHBondContact O-N 3.28Å; S11-M46 WeakPolarHBondContact OG-CB 3.35Å; S11-M46 VanDerWaalsContact OG-CG 3.28Å; S11-M46 WeakPolarHBondContact OG-CG 3.45Å
12V97.4Very high87.4Confident23 Ų2376.3 Ų76.314%0.13940%0.397CS..EExtended strand (participates in β ladder)trans-129.4120.7175.3-176.80000108.8V9 L14 L43 K44 V45 V116 F119 A121V9-V12 HydrophobicContact CG1-CG2 3.67Å; V12-L14 HydrophobicContact CG1-CD2 3.68Å; V12-L43 HydrophobicContact CG1-CB 4.47Å; V12-L43 HydrophobicContact CG1-CD1 3.7Å; V12-K44 CarbonylContact C-O 3.54Å; V12-K44 WeakPolarHBondContact CA-O 3.47Å; V12-V45 HydrophobicContact CG2-CG1 4.48Å; V12-V116 HydrophobicContact CG1-CG2 4.22Å; V12-V116 HydrophobicContact CG2-CB 4.01Å; V12-V116 HydrophobicContact CG2-CG2 3.81Å; V12-F119 HydrophobicContact CB-CD1 4.01Å; V12-F119 HydrophobicContact CB-CE1 3.8Å; V12-F119 HydrophobicContact CG2-CD1 3.45Å; V12-F119 VanDerWaalsContact CG2-CD1 3.45Å; V12-F119 HydrophobicContact CG2-CE1 3.74Å; V12-F119 HydrophobicContact CG2-CG 4.2Å; V12-A121 HydrophobicContact CB-CB 4.02Å; V12-A121 HydrophobicContact CG1-CB 3.87Å; V12-A121 HydrophobicContact CG2-CB 4.33Å
13N96.5Very high90Very high80 Ų8071.8 Ų71.843%0.42837%0.373SS..EExtended strand (participates in β ladder)trans-104.8119.5172.6178.5-0.2000109.6E15 L43 K44N13-E15 PolarHBondContact ND2-OE1 2.97Å; N13-E15 PolarHBondContact O-N 3.23Å; N13-E15 PolarHBondContact OD1-N 2.92Å; N13-L43 CarbonylContact O-C 3.56Å; N13-L43 VanDerWaalsContact O-CA 3.31Å; N13-L43 WeakPolarHBondContact O-CA 3.34Å; N13-K44 HydrophobicContact CB-CB 4.34Å; N13-K44 PolarHBondContact N-O 3.17Å; N13-K44 PolarHBondContact O-N 3.35Å
14L95.6Very high92.3Very high13 Ų1370.4 Ų70.47%0.06836%0.355CS..  trans-84.58.1-177.3-50.9-169.3000114.4V12 K16 N19 L33 L43 M114 A121V12-L14 HydrophobicContact CG1-CD2 3.68Å; L14-K16 HydrophobicContact CB-CG 4.04Å; L14-K16 PolarHBondContact O-N 2.9Å; L14-N19 PolarHBondContact O-ND2 2.77Å; L14-L33 HydrophobicContact CB-CD2 4.06Å; L14-L33 HydrophobicContact CD1-CD2 4.28Å; L14-L43 HydrophobicContact CD2-CB 4.22Å; L14-M114 HydrophobicContact CD1-CE 3.68Å; L14-M114 HydrophobicContact CD2-CE 3.08Å; L14-M114 HydrophobicContact CG-CE 3.99Å; L14-A121 HydrophobicContact CD2-CB 4.41Å
15E95.8Very high94.3Very high28 Ų2860.8 Ų60.813%0.13132%0.319CS..  trans47.341.4179.1-65-62.3154.100111.9N13 K17 L18 N19 K44N13-E15 PolarHBondContact ND2-OE1 2.97Å; N13-E15 PolarHBondContact O-N 3.23Å; N13-E15 PolarHBondContact OD1-N 2.92Å; E15-K17 PolarHBondContact O-N 2.94Å; E15-L18 HydrophobicContact CB-CB 4.45Å; E15-L18 PolarHBondContact O-N 3.24Å; E15-N19 PolarHBondContact O-N 3.24Å; E15-K44 HydrophobicContact CG-CG 4.33Å; E15-K44 WeakPolarHBondContact OE1-CD 3.38Å; E15-K44 WeakPolarHBondContact OE1-CE 3.35Å; E15-K44 IonicContact OE1-NZ 2.74Å; E15-K44 PolarHBondContact OE1-NZ 2.65Å; E15-K44 IonicContact OE2-NZ 2.89Å
16K95Very high95.7Very high104 Ų10459.7 Ų59.745%0.45231%0.312SS..Hα-helixtrans-51.9-42.6-160.3-68.9-174.8179.4177.10113.1L14 A20 Q31 L33L14-K16 HydrophobicContact CB-CG 4.04Å; L14-K16 PolarHBondContact O-N 2.9Å; K16-A20 WeakPolarHBondContact O-CB 3.43Å; K16-A20 PolarHBondContact O-N 3.13Å; K16-Q31 PolarHBondContact NZ-O 3.39Å; K16-L33 HydrophobicContact CB-CD1 4.4Å; K16-L33 HydrophobicContact CG-CB 4.39Å
17K95.1Very high96.2Very high168 Ų16859.8 Ų59.873%0.7331%0.312SS*.Hα-helixtrans-68.2-42.7-178.7-173.8177.6179.2-177.60112.4E15 A21 I26E15-K17 PolarHBondContact O-N 2.94Å; K17-A21 WeakPolarHBondContact O-CB 3.25Å; K17-A21 PolarHBondContact O-N 3.07Å; K17-I26 HydrophobicContact CG-CD1 4.33Å
18L96.8Very high96.6Very high116 Ų11659.6 Ų59.661%0.60731%0.309SS*.Hα-helixtrans-68.1-47.6179.5-68175.8000110.5E15 A21 A22E15-L18 HydrophobicContact CB-CB 4.45Å; E15-L18 PolarHBondContact O-N 3.24Å; L18-A21 PolarHBondContact O-N 2.68Å; L18-A22 WeakPolarHBondContact O-CB 3.5Å; L18-A22 PolarHBondContact O-N 2.99Å
19N98.2Very high96.7Very high9 Ų960.2 Ų60.25%0.04831%0.308CS..Hα-helixtrans-63.5-45.4177.4-72.7-31.6000111.4L14 E15 A21 A22 H23 L33 L35 F41 S42L14-N19 PolarHBondContact O-ND2 2.77Å; E15-N19 PolarHBondContact O-N 3.24Å; N19-A21 VanDerWaalsContact C-N 3.3Å; N19-A21 PolarHBondContact O-N 2.86Å; N19-A22 PolarHBondContact O-N 2.97Å; N19-H23 WeakPolarHBondContact O-CB 3.36Å; N19-H23 PolarHBondContact O-CD2 2.88Å; N19-H23 PolarHBondContact O-N 3.43Å; N19-L33 HydrophobicContact CB-CD1 4.02Å; N19-L35 HydrophobicContact CB-CD2 4.02Å; N19-F41 HydrophobicContact CB-CB 4.44Å; N19-F41 WeakPolarHBondContact OD1-CA 3.42Å; N19-S42 PolarHBondContact ND2-O 2.99Å; N19-S42 PolarHBondContact OD1-N 3.35Å
20A97.9Very high96.6Very high11 Ų1161.6 Ų61.69%0.09132%0.317CS..Hα-helixtrans-63.9-35.417900000112.9K16 H24 T25 I26K16-A20 WeakPolarHBondContact O-CB 3.43Å; K16-A20 PolarHBondContact O-N 3.13Å; A20-H24 PolarHBondContact O-N 2.73Å; A20-T25 VanDerWaalsContact CA-OG1 3.29Å; A20-T25 WeakPolarHBondContact CA-OG1 3.38Å; A20-T25 PolarHBondContact O-N 2.86Å; A20-T25 PolarHBondContact O-OG1 3.37Å; A20-I26 HydrophobicContact CB-CB 4.49Å; A20-I26 HydrophobicContact CB-CD1 4.04Å; A20-I26 PolarHBondContact O-N 3.44Å
21A97.8Very high96.4Very high56 Ų5662.3 Ų62.346%0.46333%0.326SS..Hα-helixtrans-65.4-49.4173.200000111.4K17 L18 N19 H23 H24K17-A21 WeakPolarHBondContact O-CB 3.25Å; K17-A21 PolarHBondContact O-N 3.07Å; L18-A21 PolarHBondContact O-N 2.68Å; N19-A21 VanDerWaalsContact C-N 3.3Å; N19-A21 PolarHBondContact O-N 2.86Å; A21-H23 VanDerWaalsContact C-N 3.28Å; A21-H23 PolarHBondContact O-N 2.88Å; A21-H24 PolarHBondContact O-N 2.93Å
22A98.3Very high96.4Very high53 Ų5363.2 Ų63.244%0.43832%0.323SS..Hα-helixtrans-63-33.5-179.600000113.1L18 N19 Q39L18-A22 WeakPolarHBondContact O-CB 3.5Å; L18-A22 PolarHBondContact O-N 2.99Å; N19-A22 PolarHBondContact O-N 2.97Å; A22-Q39 PolarHBondContact O-NE2 3.17Å
23H98.6Very high96.4Very high0 Ų062.4 Ų62.40%032%0.318CS..THydrogen-bonded Turntrans-89.64.1-179.9-75.5-99.4000114N19 A21 T25 R36 Q39 I40N19-H23 WeakPolarHBondContact O-CB 3.36Å; N19-H23 PolarHBondContact O-CD2 2.88Å; N19-H23 PolarHBondContact O-N 3.43Å; A21-H23 VanDerWaalsContact C-N 3.28Å; A21-H23 PolarHBondContact O-N 2.88Å; H23-T25 HydrophobicContact CB-CG2 4.31Å; H23-T25 WeakPolarHBondContact O-CG2 3.35Å; H23-T25 PolarHBondContact O-N 2.84Å; H23-R36 HydrophobicContact CB-CG 4.5Å; H23-R36 PolarHBondContact ND1-N 2.82Å; H23-R36 VanDerWaalsContact ND1-N 3.12Å; H23-R36 PolarHBondContact ND1-O 2.98Å; H23-R36 WeakPolarHBondContact O-CD 3.47Å; H23-R36 PolarHBondContact O-NE 2.88Å; H23-Q39 VanDerWaalsContact CE1-CG 3.49Å; H23-Q39 WeakPolarHBondContact CE1-CG 3.27Å; H23-Q39 PolarHBondContact ND1-OE1 3.41Å; H23-I40 PolarHBondContact NE2-O 2.88Å; H23-I40 VanDerWaalsContact NE2-O 3.08Å
24H98.4Very high96.5Very high73 Ų7358.7 Ų58.734%0.33830%0.298SS..THydrogen-bonded Turntrans5748.2-177.2-47.790000112.4A20 A21 R36 W131 L150A20-H24 PolarHBondContact O-N 2.73Å; A21-H24 PolarHBondContact O-N 2.93Å; H24-R36 PolarHBondContact O-NH2 2.85Å; H24-W131 HydrophobicContact CB-CH2 3.99Å; H24-W131 HydrophobicContact CB-CZ2 3.99Å; H24-W131 HydrophobicContact CB-CZ3 4.38Å; H24-W131 AromaticContact CE1-CD1 3.7Å; H24-W131 AromaticContact CE1-CE2 3.83Å; H24-W131 AromaticContact CE1-NE1 3.54Å; H24-W131 AromaticContact CG-CE2 3.82Å; H24-W131 AromaticContact CG-CZ2 3.82Å; H24-W131 AromaticContact ND1-CD2 3.73Å; H24-W131 AromaticContact ND1-CE2 3.62Å; H24-W131 AromaticContact ND1-NE1 3.82Å; H24-W131 AromaticContact NE2-NE1 3.77Å; H24-L150 HydrophobicContact CB-CD2 4.36Å
25T98.5Very high96.6Very high4 Ų458.1 Ų58.13%0.02530%0.295CS..  trans-134.212.5-176.556.80000113.1A20 H23 E27 Y28 V34 R36 L127A20-T25 VanDerWaalsContact CA-OG1 3.29Å; A20-T25 WeakPolarHBondContact CA-OG1 3.38Å; A20-T25 PolarHBondContact O-N 2.86Å; A20-T25 PolarHBondContact O-OG1 3.37Å; H23-T25 HydrophobicContact CB-CG2 4.31Å; H23-T25 WeakPolarHBondContact O-CG2 3.35Å; H23-T25 PolarHBondContact O-N 2.84Å; T25-E27 PolarHBondContact O-N 2.81Å; T25-Y28 HydrophobicContact CG2-CD2 4.26Å; T25-Y28 HydrophobicContact CG2-CE2 3.96Å; T25-Y28 WeakPolarHBondContact O-CD2 3.43Å; T25-Y28 PolarHBondContact O-N 2.9Å; T25-V34 WeakPolarHBondContact CB-O 3.33Å; T25-V34 HydrophobicContact CG2-CB 4.16Å; T25-V34 HydrophobicContact CG2-CG1 3.7Å; T25-V34 PolarHBondContact OG1-O 2.88Å; T25-R36 HydrophobicContact CG2-CG 4.27Å; T25-L127 HydrophobicContact CG2-CD1 4.27Å
26I96.3Very high96.7Very high90 Ų9056.8 Ų56.846%0.46229%0.289SS..THydrogen-bonded Turntrans-63.7-27.7-179.5-165.364.1000113.5K17 A20 Y28K17-I26 HydrophobicContact CG-CD1 4.33Å; A20-I26 HydrophobicContact CB-CB 4.49Å; A20-I26 HydrophobicContact CB-CD1 4.04Å; A20-I26 PolarHBondContact O-N 3.44Å; I26-Y28 PolarHBondContact O-N 3.09Å
27E95.1Very high96.9Very high125 Ų12551.9 Ų51.958%0.58427%0.267SS*.THydrogen-bonded Turntrans-74.7-22.3-175.6-65.9-59.7142.900113.4T25 Q29 F174T25-E27 PolarHBondContact O-N 2.81Å; E27-Q29 PolarHBondContact O-N 2.8Å; E27-F174 HydrophobicContact CB-CB 4.08Å; E27-F174 HydrophobicContact CB-CD1 4.04Å; E27-F174 HydrophobicContact CB-CD2 3.76Å; E27-F174 HydrophobicContact CB-CE1 4.46Å; E27-F174 HydrophobicContact CB-CE2 4.17Å; E27-F174 HydrophobicContact CB-CG 3.68Å; E27-F174 WeakPolarHBondContact O-CB 3.41Å
28Y97.4Very high97Very high14 Ų1444.6 Ų44.66%0.05524%0.24CC..SBendtrans-61.7121.1-177.9-73-89.9000111.3T25 I26 T30 V34 L127 F174 L179 A269T25-Y28 HydrophobicContact CG2-CD2 4.26Å; T25-Y28 HydrophobicContact CG2-CE2 3.96Å; T25-Y28 WeakPolarHBondContact O-CD2 3.43Å; T25-Y28 PolarHBondContact O-N 2.9Å; I26-Y28 PolarHBondContact O-N 3.09Å; Y28-T30 VanDerWaalsContact C-N 3.27Å; Y28-T30 PolarHBondContact O-N 2.78Å; Y28-V34 HydrophobicContact CD2-CG1 4.15Å; Y28-V34 HydrophobicContact CE2-CG1 4.21Å; Y28-V34 HydrophobicContact CG-CG2 4.45Å; Y28-L127 HydrophobicContact CE2-CD1 4.01Å; Y28-L127 VanDerWaalsContact OH-CD1 3.27Å; Y28-L127 WeakPolarHBondContact OH-CD1 3.25Å; Y28-F174 AromaticContact CD1-CD1 3.86Å; Y28-F174 HydrophobicContact CD1-CD1 3.86Å; Y28-F174 AromaticContact CD2-CD1 3.77Å; Y28-F174 HydrophobicContact CD2-CD1 3.77Å; Y28-F174 HydrophobicContact CD2-CE1 4.06Å; Y28-F174 AromaticContact CE1-CD1 3.83Å; Y28-F174 HydrophobicContact CE1-CD1 3.83Å; Y28-F174 HydrophobicContact CE1-CE1 4.22Å; Y28-F174 AromaticContact CE2-CD1 3.72Å; Y28-F174 HydrophobicContact CE2-CD1 3.72Å; Y28-F174 AromaticContact CE2-CE1 3.6Å; Y28-F174 HydrophobicContact CE2-CE1 3.6Å; Y28-F174 AromaticContact CG-CD1 3.84Å; Y28-F174 HydrophobicContact CG-CD1 3.84Å; Y28-F174 AromaticContact CZ-CD1 3.77Å; Y28-F174 AromaticContact CZ-CE1 3.7Å; Y28-L179 HydrophobicContact CD1-CB 4.14Å; Y28-L179 HydrophobicContact CD1-CD2 3.85Å; Y28-L179 HydrophobicContact CD1-CG 4.44Å; Y28-L179 HydrophobicContact CE1-CB 4.25Å; Y28-L179 HydrophobicContact CE1-CD1 4.08Å; Y28-L179 HydrophobicContact CE1-CD2 4Å; Y28-L179 HydrophobicContact CE1-CG 4.34Å; Y28-A269 PolarHBondContact OH-O 3.13Å
29Q95.1Very high97.1Very high78 Ų7841.2 Ų41.236%0.36422%0.221SC..  trans-77.276.3177.9-65.5-17730.600111.5E27 F174 E175 K176 K639E27-Q29 PolarHBondContact O-N 2.8Å; Q29-F174 WeakPolarHBondContact CB-O 3.35Å; Q29-F174 WeakPolarHBondContact CG-O 3.41Å; Q29-F174 PolarHBondContact N-O 3.28Å; Q29-E175 PolarHBondContact NE2-OE1 2.87Å; Q29-E175 PolarHBondContact NE2-OE2 2.96Å; Q29-K176 HydrophobicContact CB-CB 4.46Å; Q29-K639 VanDerWaalsContact NE2-NZ 3.13Å
30T93.5Very high97Very high43 Ų4345.1 Ų45.126%0.26424%0.241SC..  trans-147.5151.2179.91780000111Y28 K32 V34Y28-T30 VanDerWaalsContact C-N 3.27Å; Y28-T30 PolarHBondContact O-N 2.78Å; T30-K32 VanDerWaalsContact C-N 3.34Å; T30-K32 WeakPolarHBondContact CG2-O 3.27Å; T30-K32 PolarHBondContact OG1-N 2.92Å; T30-V34 HydrophobicContact CG2-CG2 3.65Å
31Q91.9Very high97Very high170 Ų17044.8 Ų44.879%0.79424%0.238SC*.SBendtrans-84.4-13.3173.7-62.4-61.2-25.700112.8K16K16-Q31 PolarHBondContact NZ-O 3.39Å
32K94.6Very high97Very high70 Ų7043.9 Ų43.930%0.30423%0.228SC..SBendtrans-83.1147.1178.6-63.1169.9-176.7168.40109.8T30 V123 F125T30-K32 VanDerWaalsContact C-N 3.34Å; T30-K32 WeakPolarHBondContact CG2-O 3.27Å; T30-K32 PolarHBondContact OG1-N 2.92Å; K32-V123 HydrophobicContact CD-CB 4.45Å; K32-V123 HydrophobicContact CD-CG1 4.05Å; K32-F125 HydrophobicContact CB-CD2 4.34Å; K32-F125 HydrophobicContact CB-CE2 4.36Å; K32-F125 HydrophobicContact CD-CD2 4.33Å; K32-F125 HydrophobicContact CD-CE2 3.64Å; K32-F125 HydrophobicContact CD-CZ 4.32Å
33L97.2Very high96.9Very high5 Ų541.4 Ų41.43%0.02621%0.207CC..EExtended strand (participates in β ladder)trans-66.1141.8172.2178.159.7000109.7L14 K16 N19 L35 F124 F125L14-L33 HydrophobicContact CB-CD2 4.06Å; L14-L33 HydrophobicContact CD1-CD2 4.28Å; K16-L33 HydrophobicContact CB-CD1 4.4Å; K16-L33 HydrophobicContact CG-CB 4.39Å; N19-L33 HydrophobicContact CB-CD1 4.02Å; L33-L35 HydrophobicContact CD1-CD2 3.93Å; L33-L35 HydrophobicContact CD1-CG 4.4Å; L33-L35 HydrophobicContact CD2-CD1 3.95Å; L33-L35 HydrophobicContact CD2-CD2 3.99Å; L33-L35 HydrophobicContact CD2-CG 4.03Å; L33-L35 HydrophobicContact CG-CD1 4.3Å; L33-L35 HydrophobicContact CG-CD2 3.91Å; L33-L35 HydrophobicContact CG-CG 3.88Å; L33-F124 HydrophobicContact CB-CB 3.84Å; L33-F124 HydrophobicContact CG-CB 4.3Å; L33-F124 CarbonylContact O-C 3.55Å; L33-F124 WeakPolarHBondContact O-CA 3.24Å; L33-F124 VanDerWaalsContact O-CB 3.29Å; L33-F124 WeakPolarHBondContact O-CB 3.18Å; L33-F125 PolarHBondContact O-N 2.77Å
34V98.5Very high96.8Very high3 Ų344.6 Ų44.62%0.01822%0.221CC..EExtended strand (participates in β ladder)trans-125.3124.2175.9-174.20000107.6T25 Y28 T30 F125 L127 L179T25-V34 WeakPolarHBondContact CB-O 3.33Å; T25-V34 HydrophobicContact CG2-CB 4.16Å; T25-V34 HydrophobicContact CG2-CG1 3.7Å; T25-V34 PolarHBondContact OG1-O 2.88Å; Y28-V34 HydrophobicContact CD2-CG1 4.15Å; Y28-V34 HydrophobicContact CE2-CG1 4.21Å; Y28-V34 HydrophobicContact CG-CG2 4.45Å; T30-V34 HydrophobicContact CG2-CG2 3.65Å; V34-F125 HydrophobicContact CG1-CB 4.28Å; V34-F125 HydrophobicContact CG2-CB 4.41Å; V34-F125 HydrophobicContact CG2-CD2 4.34Å; V34-L127 HydrophobicContact CG1-CD1 3.56Å; V34-L127 HydrophobicContact CG1-CD2 4.2Å; V34-L127 HydrophobicContact CG1-CG 3.78Å; V34-L179 HydrophobicContact CG1-CD2 4.14Å; V34-L179 HydrophobicContact CG2-CD2 3.98Å
35L98.7Very high96.8Very high0 Ų041.1 Ų41.10%021%0.205CC..EExtended strand (participates in β ladder)trans-126.1163.6-175.7-60.2174.2000109.6N19 L33 F41 F124 F125 L126 L127N19-L35 HydrophobicContact CB-CD2 4.02Å; L33-L35 HydrophobicContact CD1-CD2 3.93Å; L33-L35 HydrophobicContact CD1-CG 4.4Å; L33-L35 HydrophobicContact CD2-CD1 3.95Å; L33-L35 HydrophobicContact CD2-CD2 3.99Å; L33-L35 HydrophobicContact CD2-CG 4.03Å; L33-L35 HydrophobicContact CG-CD1 4.3Å; L33-L35 HydrophobicContact CG-CD2 3.91Å; L33-L35 HydrophobicContact CG-CG 3.88Å; L35-F41 HydrophobicContact CD1-CB 4.15Å; L35-F41 HydrophobicContact CD1-CD1 3.66Å; L35-F41 HydrophobicContact CD1-CD2 3.8Å; L35-F41 HydrophobicContact CD1-CE1 3.86Å; L35-F41 HydrophobicContact CD1-CE2 4.01Å; L35-F41 HydrophobicContact CD1-CG 3.61Å; L35-F41 HydrophobicContact CD1-CZ 4.02Å; L35-F41 HydrophobicContact CD2-CB 3.88Å; L35-F41 HydrophobicContact CD2-CG 4.28Å; L35-F124 HydrophobicContact CD1-CD2 3.81Å; L35-F124 HydrophobicContact CD1-CE2 4.11Å; L35-F124 HydrophobicContact CD1-CG 4.48Å; L35-F124 HydrophobicContact CG-CD2 4.37Å; L35-F125 PolarHBondContact N-O 3.46Å; L35-L126 HydrophobicContact CB-CD1 3.91Å; L35-L126 CarbonylContact O-C 3.6Å; L35-L126 WeakPolarHBondContact O-CA 3.44Å; L35-L127 WeakPolarHBondContact O-CB 3.46Å; L35-L127 WeakPolarHBondContact O-CG 3.26Å; L35-L127 PolarHBondContact O-N 2.75Å
36R98.8Very high96.7Very high0 Ų043.8 Ų43.80%022%0.218CC..EExtended strand (participates in β ladder)trans-113.9141171.7-59.5-172.7-178.8-83-1.4109.6H23 H24 T25 L127 F128 N129 W131H23-R36 HydrophobicContact CB-CG 4.5Å; H23-R36 PolarHBondContact ND1-N 2.82Å; H23-R36 VanDerWaalsContact ND1-N 3.12Å; H23-R36 PolarHBondContact ND1-O 2.98Å; H23-R36 WeakPolarHBondContact O-CD 3.47Å; H23-R36 PolarHBondContact O-NE 2.88Å; H24-R36 PolarHBondContact O-NH2 2.85Å; T25-R36 HydrophobicContact CG2-CG 4.27Å; R36-L127 HydrophobicContact CG-CB 4.33Å; R36-F128 PolarHBondContact NH1-O 2.82Å; R36-N129 HydrophobicContact CB-CB 3.73Å; R36-W131 VanDerWaalsContact CZ-CZ3 3.5Å
37R98.4Very high96.7Very high1 Ų139.7 Ų39.70%0.00420%0.197CC..THydrogen-bonded Turntrans-64.7156.7-177.969.5-173.4-176.2164.311.5112.9Q39 S103 A105 A107 L126 L127 F128 N129 D135 S136 Q195R37-Q39 PolarHBondContact O-N 2.82Å; R37-S103 VanDerWaalsContact CA-OG 3.25Å; R37-S103 WeakPolarHBondContact CA-OG 3.49Å; R37-A105 WeakPolarHBondContact CD-O 3.29Å; R37-A105 PolarHBondContact NE-O 2.62Å; R37-A105 PolarHBondContact NH2-O 3.19Å; R37-A107 HydrophobicContact CB-CB 4.28Å; R37-A107 WeakPolarHBondContact CD-O 3.27Å; R37-A107 PolarHBondContact NH1-O 3.11Å; R37-A107 VanDerWaalsContact NH1-O 3.13Å; R37-L126 HydrophobicContact CB-CD1 4.25Å; R37-L126 HydrophobicContact CB-CD2 4.01Å; R37-L126 HydrophobicContact CB-CG 4.03Å; R37-L127 PolarHBondContact N-O 2.88Å; R37-F128 VanDerWaalsContact CZ-CE1 3.49Å; R37-F128 VanDerWaalsContact NH2-CD1 3.27Å; R37-N129 HydrophobicContact CG-CB 4.31Å; R37-N129 WeakPolarHBondContact O-CB 3.4Å; R37-N129 PolarHBondContact O-ND2 2.85Å; R37-D135 VanDerWaalsContact CG-OD2 3.28Å; R37-D135 WeakPolarHBondContact CG-OD2 3.44Å; R37-D135 IonicContact CZ-OD1 3.67Å; R37-D135 IonicContact CZ-OD2 2.77Å; R37-D135 IonicContact NE-OD1 3.93Å; R37-D135 IonicContact NE-OD2 2.69Å; R37-D135 PolarHBondContact NE-OD2 2.65Å; R37-D135 IonicContact NH2-OD1 4Å; R37-D135 PolarHBondContact NH2-OD1 2.94Å; R37-D135 IonicContact NH2-OD2 3.51Å; R37-S136 PolarHBondContact NH2-OG 3.13Å; R37-Q195 PolarHBondContact NH1-O 3.04Å
38G97.3Very high96.6Very high15 Ų1535.9 Ų35.916%0.15518%0.18CC..THydrogen-bonded Turntrans69.115.417900000115.2S103 A104G38-S103 VanDerWaalsContact CA-O 3.24Å; G38-S103 WeakPolarHBondContact CA-O 3.44Å; G38-S103 PolarHBondContact N-O 2.89Å; G38-S103 PolarHBondContact N-OG 2.92Å; G38-S103 VanDerWaalsContact N-OG 3.11Å; G38-A104 PolarHBondContact N-O 2.83Å
39Q97.8Very high96.5Very high45 Ų4537.6 Ų37.621%0.2119%0.187CC..SBendtrans-131.6144.1179.2-179.6177.5-4.600110.9A22 H23 R37A22-Q39 PolarHBondContact O-NE2 3.17Å; H23-Q39 VanDerWaalsContact CE1-CG 3.49Å; H23-Q39 WeakPolarHBondContact CE1-CG 3.27Å; H23-Q39 PolarHBondContact ND1-OE1 3.41Å; R37-Q39 PolarHBondContact O-N 2.82Å
40I97.2Very high96.4Very high91 Ų9136.4 Ų36.447%0.46719%0.186SC..EExtended strand (participates in β ladder)trans-71.4133.7-178.3-63.1167.1000110.7H23 N100 V101 I102H23-I40 PolarHBondContact NE2-O 2.88Å; H23-I40 VanDerWaalsContact NE2-O 3.08Å; I40-N100 HydrophobicContact CG2-CB 3.88Å; I40-V101 CarbonylContact C-O 3.57Å; I40-V101 VanDerWaalsContact CA-O 3.27Å; I40-V101 WeakPolarHBondContact CA-O 3.48Å; I40-I102 HydrophobicContact CG1-CB 3.94Å; I40-I102 HydrophobicContact CG1-CD1 4.09Å; I40-I102 HydrophobicContact CG1-CG1 4.38Å
41F97.8Very high96.3Very high5 Ų534.7 Ų34.72%0.02218%0.175CC..EExtended strand (participates in β ladder)trans-125.4152.3164.967.3-82.5000110.8N19 L35 L43 F61 W85 V101N19-F41 HydrophobicContact CB-CB 4.44Å; N19-F41 WeakPolarHBondContact OD1-CA 3.42Å; L35-F41 HydrophobicContact CD1-CB 4.15Å; L35-F41 HydrophobicContact CD1-CD1 3.66Å; L35-F41 HydrophobicContact CD1-CD2 3.8Å; L35-F41 HydrophobicContact CD1-CE1 3.86Å; L35-F41 HydrophobicContact CD1-CE2 4.01Å; L35-F41 HydrophobicContact CD1-CG 3.61Å; L35-F41 HydrophobicContact CD1-CZ 4.02Å; L35-F41 HydrophobicContact CD2-CB 3.88Å; L35-F41 HydrophobicContact CD2-CG 4.28Å; F41-L43 HydrophobicContact CE2-CD2 4.12Å; F41-F61 HydrophobicContact CZ-CE1 4.12Å; F41-F61 HydrophobicContact CZ-CZ 4.31Å; F41-W85 HydrophobicContact CE1-CZ3 4.31Å; F41-W85 HydrophobicContact CZ-CZ3 4.42Å; F41-V101 HydrophobicContact CD1-CB 4.08Å; F41-V101 HydrophobicContact CD1-CG1 4.39Å; F41-V101 VanDerWaalsContact CD1-O 3.3Å; F41-V101 WeakPolarHBondContact CD1-O 3.1Å; F41-V101 HydrophobicContact CD2-CB 4.38Å; F41-V101 HydrophobicContact CE1-CB 3.57Å; F41-V101 HydrophobicContact CE1-CG1 3.47Å; F41-V101 VanDerWaalsContact CE1-CG1 3.47Å; F41-V101 HydrophobicContact CE2-CB 3.9Å; F41-V101 HydrophobicContact CE2-CG1 4.32Å; F41-V101 HydrophobicContact CE2-CG2 4.24Å; F41-V101 HydrophobicContact CG-CB 4.47Å; F41-V101 HydrophobicContact CZ-CB 3.48Å; F41-V101 VanDerWaalsContact CZ-CB 3.48Å; F41-V101 HydrophobicContact CZ-CG1 3.44Å; F41-V101 VanDerWaalsContact CZ-CG1 3.44Å; F41-V101 HydrophobicContact CZ-CG2 4.14Å; F41-V101 PolarHBondContact N-O 2.92Å; F41-V101 PolarHBondContact O-N 3.13Å
42S96.9Very high96.3Very high36 Ų3630.7 Ų30.725%0.25216%0.156SC..EExtended strand (participates in β ladder)trans-110.5145.1-176.7-57.40000112.3N19 L99 N100N19-S42 PolarHBondContact ND2-O 2.99Å; N19-S42 PolarHBondContact OD1-N 3.35Å; S42-L99 CarbonylContact C-O 3.51Å; S42-L99 VanDerWaalsContact CA-O 3.28Å; S42-L99 WeakPolarHBondContact CA-O 3.3Å; S42-N100 PolarHBondContact OG-OD1 3.15Å
43L96.4Very high95.9Very high1 Ų132.4 Ų32.41%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-134.4150.2166.461137.2000111V12 N13 L14 F41 V45 L59 L99 V101 V116V12-L43 HydrophobicContact CG1-CB 4.47Å; V12-L43 HydrophobicContact CG1-CD1 3.7Å; N13-L43 CarbonylContact O-C 3.56Å; N13-L43 VanDerWaalsContact O-CA 3.31Å; N13-L43 WeakPolarHBondContact O-CA 3.34Å; L14-L43 HydrophobicContact CD2-CB 4.22Å; F41-L43 HydrophobicContact CE2-CD2 4.12Å; L43-V45 HydrophobicContact CD1-CG2 3.67Å; L43-L59 HydrophobicContact CD1-CD2 4.39Å; L43-L59 HydrophobicContact CD2-CD2 4.11Å; L43-L99 HydrophobicContact CD1-CD1 4.18Å; L43-L99 HydrophobicContact CD2-CB 4.29Å; L43-L99 HydrophobicContact CG-CB 4.12Å; L43-L99 HydrophobicContact CG-CD1 4.46Å; L43-L99 PolarHBondContact N-O 3.29Å; L43-L99 PolarHBondContact O-N 2.94Å; L43-V101 HydrophobicContact CD2-CG2 3.58Å; L43-V116 HydrophobicContact CD1-CG2 4.18Å
44K97.3Very high95.3Very high68 Ų6838.8 Ų38.830%0.29621%0.206SC..EExtended strand (participates in β ladder)trans-106.3126.3173.7-57.9-173.8-179.61410109.6V12 N13 E15 V98V12-K44 CarbonylContact C-O 3.54Å; V12-K44 WeakPolarHBondContact CA-O 3.47Å; N13-K44 HydrophobicContact CB-CB 4.34Å; N13-K44 PolarHBondContact N-O 3.17Å; N13-K44 PolarHBondContact O-N 3.35Å; E15-K44 HydrophobicContact CG-CG 4.33Å; E15-K44 WeakPolarHBondContact OE1-CD 3.38Å; E15-K44 WeakPolarHBondContact OE1-CE 3.35Å; E15-K44 IonicContact OE1-NZ 2.74Å; E15-K44 PolarHBondContact OE1-NZ 2.65Å; E15-K44 IonicContact OE2-NZ 2.89Å; K44-V98 HydrophobicContact CG-CG2 4.23Å
45V97.4Very high94.8Very high0 Ų039.3 Ų39.30%021%0.209CC..EExtended strand (participates in β ladder)trans-111.7124179.5-173.50000108.2V9 V12 L43 L47 V97 L99 V116V9-V45 HydrophobicContact CB-CG1 4.5Å; V9-V45 HydrophobicContact CG1-CG1 3.74Å; V9-V45 HydrophobicContact CG2-CG1 4.11Å; V12-V45 HydrophobicContact CG2-CG1 4.48Å; L43-V45 HydrophobicContact CD1-CG2 3.67Å; V45-L47 HydrophobicContact CG1-CD2 3.69Å; V45-L47 HydrophobicContact CG1-CG 4.33Å; V45-V97 PolarHBondContact N-O 3.41Å; V45-V97 PolarHBondContact O-N 3.15Å; V45-L99 HydrophobicContact CG2-CD1 3.81Å; V45-L99 HydrophobicContact CG2-CG 4.37Å; V45-V116 HydrophobicContact CG1-CG1 4.2Å; V45-V116 HydrophobicContact CG2-CG1 4.28Å
46M97.5Very high94.3Very high60 Ų6044.2 Ų44.230%0.29623%0.232SC..EExtended strand (participates in β ladder)trans-97.1122.2173-63.5-57.9-62.900109.2Y10 S11 V95 E96Y10-M46 PolarHBondContact N-O 3.04Å; S11-M46 PolarHBondContact N-O 3.39Å; S11-M46 PolarHBondContact O-N 3.28Å; S11-M46 WeakPolarHBondContact OG-CB 3.35Å; S11-M46 VanDerWaalsContact OG-CG 3.28Å; S11-M46 WeakPolarHBondContact OG-CG 3.45Å; M46-V95 HydrophobicContact CE-CG2 3.76Å; M46-E96 HydrophobicContact CE-CB 4.36Å; M46-E96 HydrophobicContact SD-CB 3.72Å; M46-E96 HydrophobicContact SD-CG 3.78Å
47L95.8Very high93.9Very high3 Ų344.2 Ų44.22%0.01623%0.232CC..EExtended strand (participates in β ladder)trans-104.1164.8-177.6-56.2172.1000110.7L7 V8 V9 V45 R49 L51 L57 V95 V97L7-L47 HydrophobicContact CD1-CB 4.24Å; L7-L47 HydrophobicContact CD1-CD1 4.08Å; L7-L47 HydrophobicContact CD1-CD2 4.37Å; L7-L47 HydrophobicContact CD1-CG 4.45Å; L7-L47 HydrophobicContact CD2-CD1 4.3Å; L7-L47 HydrophobicContact CD2-CD2 4.06Å; L7-L47 HydrophobicContact CG-CD2 4.17Å; V8-L47 CarbonylContact O-C 3.57Å; V8-L47 WeakPolarHBondContact O-CA 3.35Å; V9-L47 HydrophobicContact CG2-CD2 3.93Å; V45-L47 HydrophobicContact CG1-CD2 3.69Å; V45-L47 HydrophobicContact CG1-CG 4.33Å; L47-R49 VanDerWaalsContact C-N 3.32Å; L47-R49 WeakPolarHBondContact CB-O 3.3Å; L47-L51 HydrophobicContact CD1-CB 3.92Å; L47-L51 HydrophobicContact CD1-CD1 4.13Å; L47-L57 HydrophobicContact CD2-CD1 4.26Å; L47-V95 PolarHBondContact N-O 2.88Å; L47-V95 WeakPolarHBondContact O-CB 3.43Å; L47-V97 HydrophobicContact CD1-CB 4.45Å; L47-V97 HydrophobicContact CD1-CG2 3.51Å; L47-V97 HydrophobicContact CG-CG2 4.44Å
48N94.2Very high93.6Very high45 Ų4546.4 Ų46.424%0.24124%0.242CC..SBendtrans-72-25.6172.264.3-31.1000113.7M6 V8 Y10M6-N48 PolarHBondContact O-ND2 3.23Å; V8-N48 HydrophobicContact CB-CB 4.12Å; V8-N48 PolarHBondContact N-OD1 3.27Å; V8-N48 PolarHBondContact O-N 3.35Å; V8-N48 PolarHBondContact O-OD1 2.79Å; Y10-N48 HydrophobicContact CD2-CB 4.41Å; Y10-N48 HydrophobicContact CE1-CB 4.11Å; Y10-N48 VanDerWaalsContact CE2-CA 3.44Å; Y10-N48 HydrophobicContact CE2-CB 3.7Å; Y10-N48 WeakPolarHBondContact OH-CB 3.36Å
49R93.8Very high93.4Very high51 Ų5145.7 Ų45.719%0.19223%0.234CC..SBendtrans-149.9164.5177.961.6170.9175.572.9-2.3110.6N5 L7 L47 L51 D55N5-R49 PolarHBondContact O-NE 3.44Å; N5-R49 PolarHBondContact O-NH2 3.46Å; L7-R49 HydrophobicContact CD1-CG 4.31Å; L47-R49 VanDerWaalsContact C-N 3.32Å; L47-R49 WeakPolarHBondContact CB-O 3.3Å; R49-L51 PolarHBondContact O-N 3.41Å; R49-D55 IonicContact CZ-OD1 3.28Å; R49-D55 IonicContact CZ-OD2 2.69Å; R49-D55 IonicContact NH1-OD1 2.79Å; R49-D55 PolarHBondContact NH1-OD1 3.05Å; R49-D55 IonicContact NH1-OD2 3.66Å; R49-D55 PolarHBondContact NH1-OD2 3.43Å; R49-D55 IonicContact NH2-OD1 3.4Å; R49-D55 PolarHBondContact NH2-OD1 2.82Å; R49-D55 IonicContact NH2-OD2 3.56Å
50P93.7Very high93.2Very high53 Ų5345.6 Ų45.634%0.34424%0.235SC..  trans-57.3135.6175.2-24.835000112.4Q52 G94 V95P50-Q52 PolarHBondContact O-N 2.73Å; P50-Q52 PolarHBondContact O-NE2 2.93Å; P50-G94 VanDerWaalsContact CA-O 3.24Å; P50-G94 WeakPolarHBondContact CA-O 3.37Å; P50-G94 WeakPolarHBondContact CB-O 3.39Å; P50-V95 HydrophobicContact CG-CG1 4.46Å
51L91.9Very high93.1Very high6 Ų641.2 Ų41.23%0.03121%0.212CC..  trans-62.4129.1178.8-172.270.9000110.8L7 L47 R49 D55 L57 M77 I89 Q92 V97L7-L51 HydrophobicContact CD1-CD1 4.39Å; L7-L51 HydrophobicContact CD2-CD1 3.58Å; L47-L51 HydrophobicContact CD1-CB 3.92Å; L47-L51 HydrophobicContact CD1-CD1 4.13Å; R49-L51 PolarHBondContact O-N 3.41Å; L51-D55 HydrophobicContact CD1-CB 3.69Å; L51-L57 HydrophobicContact CD1-CB 4.43Å; L51-L57 HydrophobicContact CD2-CD2 4.49Å; L51-M77 HydrophobicContact CD2-SD 4.25Å; L51-I89 HydrophobicContact CD2-CD1 3.55Å; L51-Q92 PolarHBondContact O-NE2 3.26Å; L51-V97 HydrophobicContact CB-CG2 4.05Å; L51-V97 HydrophobicContact CD2-CG1 4.48Å; L51-V97 HydrophobicContact CD2-CG2 4.23Å
52Q90.3Very high92.7Very high87 Ų8742.9 Ų42.941%0.40722%0.221SC..  trans-110.6163.4179.5-57.6-60.5-47.800111P50 H54 D55P50-Q52 PolarHBondContact O-N 2.73Å; P50-Q52 PolarHBondContact O-NE2 2.93Å; Q52-H54 VanDerWaalsContact CB-CE1 3.43Å; Q52-H54 WeakPolarHBondContact CB-CE1 3.38Å; Q52-H54 PolarHBondContact O-N 3.39Å; Q52-H54 VanDerWaalsContact O-N 3.17Å; Q52-D55 WeakPolarHBondContact CB-OD2 3.19Å; Q52-D55 PolarHBondContact N-OD2 2.66Å; Q52-D55 WeakPolarHBondContact O-CB 3.49Å; Q52-D55 PolarHBondContact O-N 3.35Å; Q52-D55 VanDerWaalsContact O-N 3.12Å
53S86.1Confident92.2Very high105 Ų10541.6 Ų41.673%0.73421%0.212SC*.THydrogen-bonded Turntrans-65-18.8-178.161.20000115.1
54H86Confident90.6Very high139 Ų13942.9 Ų42.964%0.64423%0.226SC*.THydrogen-bonded Turntrans-96.7-2.6178.762.1-95.7000113.1Q52Q52-H54 VanDerWaalsContact CB-CE1 3.43Å; Q52-H54 WeakPolarHBondContact CB-CE1 3.38Å; Q52-H54 PolarHBondContact O-N 3.39Å; Q52-H54 VanDerWaalsContact O-N 3.17Å
55D88.5Confident88.8Confident15 Ų1542 Ų428%0.0822%0.222CC..  trans-80.2152.1179.5-69.2-35.8000111.6L7 R49 L51 Q52L7-D55 HydrophobicContact CD2-CB 4.12Å; R49-D55 IonicContact CZ-OD1 3.28Å; R49-D55 IonicContact CZ-OD2 2.69Å; R49-D55 IonicContact NH1-OD1 2.79Å; R49-D55 PolarHBondContact NH1-OD1 3.05Å; R49-D55 IonicContact NH1-OD2 3.66Å; R49-D55 PolarHBondContact NH1-OD2 3.43Å; R49-D55 IonicContact NH2-OD1 3.4Å; R49-D55 PolarHBondContact NH2-OD1 2.82Å; R49-D55 IonicContact NH2-OD2 3.56Å; L51-D55 HydrophobicContact CD1-CB 3.69Å; Q52-D55 WeakPolarHBondContact CB-OD2 3.19Å; Q52-D55 PolarHBondContact N-OD2 2.66Å; Q52-D55 WeakPolarHBondContact O-CB 3.49Å; Q52-D55 PolarHBondContact O-N 3.35Å; Q52-D55 VanDerWaalsContact O-N 3.12Å
56E86.6Confident86.6Confident102 Ų10248.8 Ų48.848%0.47726%0.259SS..  trans-111.1122.5173.9-168.3174-130.500109.9K58 N117E56-K58 HydrophobicContact CG-CD 4.1Å; E56-K58 HydrophobicContact CG-CG 4.02Å; E56-K58 WeakPolarHBondContact OE1-CE 3.26Å; E56-K58 IonicContact OE1-NZ 2.67Å; E56-K58 PolarHBondContact OE1-NZ 2.9Å; E56-K58 WeakPolarHBondContact OE2-CE 3.39Å; E56-K58 IonicContact OE2-NZ 2.81Å; E56-K58 PolarHBondContact OE2-NZ 3.47Å; E56-N117 PolarHBondContact O-ND2 2.93Å; E56-N117 VanDerWaalsContact O-ND2 3.13Å
57L90.6Very high84.4Confident0 Ų052.5 Ų52.50%028%0.277CS..  trans-123.992177.8-175.963.9000109.7L7 V9 L47 L51 P76 L99 V116L7-L57 HydrophobicContact CD2-CB 4.47Å; L7-L57 HydrophobicContact CD2-CD1 4.29Å; V9-L57 HydrophobicContact CG2-CD1 4.1Å; L47-L57 HydrophobicContact CD2-CD1 4.26Å; L51-L57 HydrophobicContact CD1-CB 4.43Å; L51-L57 HydrophobicContact CD2-CD2 4.49Å; L57-P76 HydrophobicContact CB-CG 4.29Å; L57-P76 HydrophobicContact CD2-CG 4.22Å; L57-P76 HydrophobicContact CG-CG 4.47Å; L57-P76 WeakPolarHBondContact O-CD 3.32Å; L57-L99 HydrophobicContact CD2-CD1 4.17Å; L57-L99 HydrophobicContact CD2-CD2 4.42Å; L57-V116 HydrophobicContact CD1-CG1 3.67Å; L57-V116 HydrophobicContact CG-CG1 4.42Å
58K92.3Very high82.3Confident48 Ų4856.1 Ų56.121%0.20930%0.301CS..  trans-90.4133.6-176.7-76.5167.5171.5161.50112E56 I60 E73 L74 V116 N117E56-K58 HydrophobicContact CG-CD 4.1Å; E56-K58 HydrophobicContact CG-CG 4.02Å; E56-K58 WeakPolarHBondContact OE1-CE 3.26Å; E56-K58 IonicContact OE1-NZ 2.67Å; E56-K58 PolarHBondContact OE1-NZ 2.9Å; E56-K58 WeakPolarHBondContact OE2-CE 3.39Å; E56-K58 IonicContact OE2-NZ 2.81Å; E56-K58 PolarHBondContact OE2-NZ 3.47Å; K58-I60 HydrophobicContact CB-CG1 4.49Å; K58-E73 VanDerWaalsContact CD-OE1 3.23Å; K58-E73 WeakPolarHBondContact CD-OE1 3.27Å; K58-E73 WeakPolarHBondContact CE-OE1 3.35Å; K58-E73 HydrophobicContact CG-CG 4.43Å; K58-E73 IonicContact NZ-OE1 2.72Å; K58-L74 CarbonylContact C-O 3.58Å; K58-L74 WeakPolarHBondContact CA-O 3.38Å; K58-V116 CarbonylContact O-C 3.54Å; K58-V116 VanDerWaalsContact O-CA 3.3Å; K58-V116 WeakPolarHBondContact O-CA 3.38Å; K58-N117 PolarHBondContact N-OD1 3.06Å; K58-N117 PolarHBondContact O-N 2.92Å
59L94.4Very high81Confident0 Ų059.3 Ų59.30%031%0.313CS..EExtended strand (participates in β ladder)trans-107121166.7-72.475.2000107.4L43 F61 E73 L74 V87 L99 V101 N115 V116L43-L59 HydrophobicContact CD1-CD2 4.39Å; L43-L59 HydrophobicContact CD2-CD2 4.11Å; L59-F61 HydrophobicContact CB-CE2 3.84Å; L59-F61 HydrophobicContact CB-CZ 4.09Å; L59-F61 HydrophobicContact CD2-CZ 4.07Å; L59-E73 WeakPolarHBondContact O-CA 3.23Å; L59-L74 HydrophobicContact CB-CB 4.49Å; L59-L74 PolarHBondContact N-O 3.23Å; L59-L74 PolarHBondContact O-N 3.01Å; L59-V87 HydrophobicContact CD1-CG2 4.44Å; L59-V87 HydrophobicContact CD2-CG2 4.12Å; L59-L99 HydrophobicContact CD1-CD1 3.7Å; L59-L99 HydrophobicContact CD2-CD1 4.02Å; L59-L99 HydrophobicContact CG-CD1 4.35Å; L59-V101 HydrophobicContact CD2-CG2 3.7Å; L59-N115 WeakPolarHBondContact CA-O 3.38Å; L59-V116 HydrophobicContact CG-CG2 4.41Å
60I93.5Very high80.3Confident42 Ų4260 Ų6022%0.21532%0.316CS..EExtended strand (participates in β ladder)trans-116.6121.6-178.3-54.3172.6000108.3K58 T71 V72 E73 M114 N115K58-I60 HydrophobicContact CB-CG1 4.49Å; I60-T71 HydrophobicContact CG2-CG2 3.95Å; I60-V72 CarbonylContact C-O 3.6Å; I60-V72 WeakPolarHBondContact CA-O 3.34Å; I60-E73 HydrophobicContact CG1-CG 4.24Å; I60-M114 WeakPolarHBondContact O-CA 3.23Å; I60-N115 HydrophobicContact CB-CB 4.37Å; I60-N115 PolarHBondContact N-O 3.19Å; I60-N115 PolarHBondContact O-N 2.69Å
61F93.5Very high80Confident0 Ų061.1 Ų61.10%032%0.321CS..EExtended strand (participates in β ladder)trans-114.1125.9176.5-51.6-88.4000109.4F41 L59 T71 V72 L74 W85 V101 Y112 T113 M114 F124F41-F61 HydrophobicContact CZ-CE1 4.12Å; F41-F61 HydrophobicContact CZ-CZ 4.31Å; L59-F61 HydrophobicContact CB-CE2 3.84Å; L59-F61 HydrophobicContact CB-CZ 4.09Å; L59-F61 HydrophobicContact CD2-CZ 4.07Å; F61-T71 CarbonylContact O-C 3.54Å; F61-T71 VanDerWaalsContact O-CA 3.31Å; F61-T71 WeakPolarHBondContact O-CA 3.36Å; F61-V72 HydrophobicContact CB-CB 4.2Å; F61-V72 HydrophobicContact CD2-CB 4.09Å; F61-V72 HydrophobicContact CD2-CG1 4.15Å; F61-V72 PolarHBondContact N-O 2.72Å; F61-V72 PolarHBondContact O-N 2.84Å; F61-L74 HydrophobicContact CE2-CD1 3.83Å; F61-L74 HydrophobicContact CE2-CG 4.38Å; F61-W85 HydrophobicContact CD1-CH2 4.39Å; F61-W85 HydrophobicContact CD1-CZ3 4.1Å; F61-W85 HydrophobicContact CD2-CE3 4.14Å; F61-W85 HydrophobicContact CD2-CZ3 4.04Å; F61-W85 HydrophobicContact CE1-CZ3 4.05Å; F61-W85 HydrophobicContact CE2-CE3 4.08Å; F61-W85 HydrophobicContact CE2-CZ3 4.03Å; F61-W85 HydrophobicContact CG-CH2 4.39Å; F61-W85 HydrophobicContact CG-CZ3 4.08Å; F61-W85 HydrophobicContact CZ-CE3 4.46Å; F61-W85 HydrophobicContact CZ-CZ3 4.03Å; F61-V101 HydrophobicContact CE2-CG1 4.38Å; F61-V101 HydrophobicContact CZ-CG1 3.92Å; F61-Y112 HydrophobicContact CB-CD1 3.91Å; F61-Y112 HydrophobicContact CB-CE1 4.38Å; F61-T113 WeakPolarHBondContact CA-O 3.34Å; F61-M114 HydrophobicContact CD1-CB 4.2Å; F61-M114 HydrophobicContact CD1-CG 3.93Å; F61-M114 HydrophobicContact CD1-SD 4.13Å; F61-M114 HydrophobicContact CE1-CB 4.4Å; F61-M114 HydrophobicContact CE1-CG 3.72Å; F61-M114 HydrophobicContact CE1-SD 3.41Å; F61-M114 WeakPolarHBondContact CE1-SD 3.46Å; F61-M114 HydrophobicContact CZ-SD 4.2Å; F61-F124 AromaticContact CD1-CE1 3.7Å; F61-F124 HydrophobicContact CD1-CE1 3.7Å; F61-F124 AromaticContact CD1-CZ 3.79Å; F61-F124 HydrophobicContact CD1-CZ 3.79Å; F61-F124 HydrophobicContact CE1-CE1 4.17Å; F61-F124 HydrophobicContact CE1-CZ 4.25Å
62N90.9Very high79.7Confident39 Ų3961.1 Ų61.121%0.20932%0.322CS..EExtended strand (participates in β ladder)trans-125132.1179.6-61.7-54.2000111.4Y70 T71 Y112 T113N62-Y70 WeakPolarHBondContact CA-O 3.28Å; N62-T71 VanDerWaalsContact OD1-CB 3.26Å; N62-T71 WeakPolarHBondContact OD1-CB 3.39Å; N62-T71 WeakPolarHBondContact OD1-CG2 3.4Å; N62-T71 PolarHBondContact OD1-OG1 2.85Å; N62-Y112 CarbonylContact O-C 3.49Å; N62-Y112 VanDerWaalsContact O-CA 3.25Å; N62-Y112 WeakPolarHBondContact O-CA 3.23Å; N62-T113 PolarHBondContact N-O 2.9Å; N62-T113 PolarHBondContact O-N 3.46Å
63T85.9Confident79.6Confident10 Ų1061.1 Ų61.16%0.06132%0.322CS..EExtended strand (participates in β ladder)trans-79.5123.8168.460.10000109.9H65 Y70 V108 Y112T63-H65 VanDerWaalsContact C-N 3.31Å; T63-H65 PolarHBondContact O-N 3.06Å; T63-H65 VanDerWaalsContact O-N 3.1Å; T63-Y70 HydrophobicContact CG2-CD1 4Å; T63-Y70 PolarHBondContact N-O 2.95Å; T63-Y70 WeakPolarHBondContact OG1-CB 3.43Å; T63-Y70 PolarHBondContact OG1-N 3.38Å; T63-V108 HydrophobicContact CG2-CB 4.49Å; T63-V108 HydrophobicContact CG2-CG1 4.05Å; T63-Y112 HydrophobicContact CG2-CD1 3.93Å; T63-Y112 HydrophobicContact CG2-CD2 4.39Å; T63-Y112 HydrophobicContact CG2-CE1 3.47Å; T63-Y112 VanDerWaalsContact CG2-CE1 3.47Å; T63-Y112 HydrophobicContact CG2-CE2 3.94Å; T63-Y112 HydrophobicContact CG2-CG 4.4Å; T63-Y112 VanDerWaalsContact CG2-CZ 3.49Å
64G62.7Low79.6Confident28 Ų2856.2 Ų56.229%0.28929%0.287SS..  trans-85.743.1-172.700000116R111G64-R111 PolarHBondContact N-O 2.78Å; G64-R111 PolarHBondContact O-NH2 2.73Å
65H58.8Low79.6Confident49 Ų4950.2 Ų50.223%0.22726%0.26CS..SBendtrans-120159.6174.3-67.9-57.6000110.9T63 F69 T187T63-H65 VanDerWaalsContact C-N 3.31Å; T63-H65 PolarHBondContact O-N 3.06Å; T63-H65 VanDerWaalsContact O-N 3.1Å; H65-F69 VanDerWaalsContact O-CD1 3.3Å; H65-F69 WeakPolarHBondContact O-CD1 3.35Å; H65-F69 WeakPolarHBondContact O-CE1 3.13Å; H65-T187 WeakPolarHBondContact CE1-CG2 3.29Å; H65-T187 WeakPolarHBondContact ND1-CG2 3.43Å
66N52.2Low79.4Confident142 Ų14250 Ų5076%0.75926%0.259SS*.SBendtrans-41.2148-167-70.6-18.5000114.2
67M50.3Low79.1Confident138 Ų13847.7 Ų47.768%0.6825%0.249SC*.SBendtrans-49.7135.6179.4-79.2-71.5-7600112.2F69M67-F69 HydrophobicContact CG-CD2 4.3Å; M67-F69 HydrophobicContact CG-CE2 3.88Å; M67-F69 HydrophobicContact CG-CZ 4.17Å; M67-F69 HydrophobicContact SD-CD2 3.17Å; M67-F69 WeakPolarHBondContact SD-CD2 3.4Å; M67-F69 HydrophobicContact SD-CE2 3.22Å; M67-F69 WeakPolarHBondContact SD-CE2 3.43Å; M67-F69 HydrophobicContact SD-CG 3.96Å; M67-F69 HydrophobicContact SD-CZ 4.06Å
68P51.7Low78.3Confident79 Ų7952.4 Ų52.451%0.51328%0.278SS..SBendcis-84.3134.17.432-32.3000114
69F68.1Low77.1Confident113 Ų11351.2 Ų51.250%0.49628%0.276SS..PPolyproline II helixtrans-64.9138.4172.8-58.1-62.7000111H65 M67H65-F69 VanDerWaalsContact O-CD1 3.3Å; H65-F69 WeakPolarHBondContact O-CD1 3.35Å; H65-F69 WeakPolarHBondContact O-CE1 3.13Å; M67-F69 HydrophobicContact CG-CD2 4.3Å; M67-F69 HydrophobicContact CG-CE2 3.88Å; M67-F69 HydrophobicContact CG-CZ 4.17Å; M67-F69 HydrophobicContact SD-CD2 3.17Å; M67-F69 WeakPolarHBondContact SD-CD2 3.4Å; M67-F69 HydrophobicContact SD-CE2 3.22Å; M67-F69 WeakPolarHBondContact SD-CE2 3.43Å; M67-F69 HydrophobicContact SD-CG 3.96Å; M67-F69 HydrophobicContact SD-CZ 4.06Å
70Y78.8Confident75.7Confident66 Ų6660.5 Ų60.526%0.25931%0.312SS..  trans-86.2110.8164.2179.4-99.5000109N62 T63 V72 V108 Y112N62-Y70 WeakPolarHBondContact CA-O 3.28Å; T63-Y70 HydrophobicContact CG2-CD1 4Å; T63-Y70 PolarHBondContact N-O 2.95Å; T63-Y70 WeakPolarHBondContact OG1-CB 3.43Å; T63-Y70 PolarHBondContact OG1-N 3.38Å; Y70-V72 HydrophobicContact CD1-CG2 4.14Å; Y70-V72 HydrophobicContact CE1-CG2 3.31Å; Y70-V72 WeakPolarHBondContact OH-CG2 3.03Å; Y70-V108 HydrophobicContact CD1-CB 4.25Å; Y70-V108 HydrophobicContact CD1-CG2 3.87Å; Y70-V108 HydrophobicContact CD2-CG2 4.08Å; Y70-V108 HydrophobicContact CE1-CB 4.43Å; Y70-V108 HydrophobicContact CE1-CG2 4.02Å; Y70-V108 HydrophobicContact CE2-CG2 4.23Å; Y70-V108 HydrophobicContact CG-CG2 3.91Å; Y70-Y112 HydrophobicContact CD1-CE1 4.2Å; Y70-Y112 HydrophobicContact CE1-CE1 4.4Å
71T86.5Confident74.3Confident75 Ų7564 Ų6446%0.4632%0.323SS..EExtended strand (participates in β ladder)trans-110.8130.3179-610000110.3I60 F61 N62I60-T71 HydrophobicContact CG2-CG2 3.95Å; F61-T71 CarbonylContact O-C 3.54Å; F61-T71 VanDerWaalsContact O-CA 3.31Å; F61-T71 WeakPolarHBondContact O-CA 3.36Å; N62-T71 VanDerWaalsContact OD1-CB 3.26Å; N62-T71 WeakPolarHBondContact OD1-CB 3.39Å; N62-T71 WeakPolarHBondContact OD1-CG2 3.4Å; N62-T71 PolarHBondContact OD1-OG1 2.85Å
72V85.1Confident72.7Confident7 Ų769.6 Ų69.64%0.04236%0.362CS..EExtended strand (participates in β ladder)trans-115.2119.5169.8-179.90000108I60 F61 Y70 L74 W85I60-V72 CarbonylContact C-O 3.6Å; I60-V72 WeakPolarHBondContact CA-O 3.34Å; F61-V72 HydrophobicContact CB-CB 4.2Å; F61-V72 HydrophobicContact CD2-CB 4.09Å; F61-V72 HydrophobicContact CD2-CG1 4.15Å; F61-V72 PolarHBondContact N-O 2.72Å; F61-V72 PolarHBondContact O-N 2.84Å; Y70-V72 HydrophobicContact CD1-CG2 4.14Å; Y70-V72 HydrophobicContact CE1-CG2 3.31Å; Y70-V72 WeakPolarHBondContact OH-CG2 3.03Å; V72-L74 HydrophobicContact CG1-CD1 4.39Å; V72-L74 HydrophobicContact CG1-CD2 3.91Å; V72-L74 HydrophobicContact CG1-CG 3.9Å; V72-W85 HydrophobicContact CB-CG 4.43Å; V72-W85 HydrophobicContact CG1-CB 3.57Å; V72-W85 HydrophobicContact CG1-CD2 4Å; V72-W85 HydrophobicContact CG1-CE3 4.45Å; V72-W85 HydrophobicContact CG1-CG 3.64Å; V72-W85 HydrophobicContact CG2-CD2 4.32Å; V72-W85 HydrophobicContact CG2-CG 4.12Å
73E89.3Confident71.6Confident87 Ų8776.1 Ų76.141%0.40739%0.388SS..EExtended strand (participates in β ladder)trans-110.6128.1171.7-172.4174.615200109.5K58 L59 I60 R81K58-E73 VanDerWaalsContact CD-OE1 3.23Å; K58-E73 WeakPolarHBondContact CD-OE1 3.27Å; K58-E73 WeakPolarHBondContact CE-OE1 3.35Å; K58-E73 HydrophobicContact CG-CG 4.43Å; K58-E73 IonicContact NZ-OE1 2.72Å; L59-E73 WeakPolarHBondContact O-CA 3.23Å; I60-E73 HydrophobicContact CG1-CG 4.24Å; E73-R81 PolarHBondContact O-NH2 2.63Å; E73-R81 VanDerWaalsContact O-NH2 3.12Å
74L86.2Confident71.6Confident1 Ų177.2 Ų77.21%0.00540%0.402CS..EExtended strand (participates in β ladder)trans-130.4139.1179.2-53.9175.6000110.2K58 L59 F61 V72 W85 V87 V101K58-L74 CarbonylContact C-O 3.58Å; K58-L74 WeakPolarHBondContact CA-O 3.38Å; L59-L74 HydrophobicContact CB-CB 4.49Å; L59-L74 PolarHBondContact N-O 3.23Å; L59-L74 PolarHBondContact O-N 3.01Å; F61-L74 HydrophobicContact CE2-CD1 3.83Å; F61-L74 HydrophobicContact CE2-CG 4.38Å; V72-L74 HydrophobicContact CG1-CD1 4.39Å; V72-L74 HydrophobicContact CG1-CD2 3.91Å; V72-L74 HydrophobicContact CG1-CG 3.9Å; L74-W85 HydrophobicContact CD1-CB 4.1Å; L74-W85 HydrophobicContact CD1-CE3 4.42Å; L74-W85 HydrophobicContact CD2-CB 3.96Å; L74-W85 WeakPolarHBondContact CD2-O 3.46Å; L74-W85 HydrophobicContact CG-CB 4.5Å; L74-V87 HydrophobicContact CB-CB 4.28Å; L74-V87 HydrophobicContact CB-CG1 3.51Å; L74-V87 HydrophobicContact CD1-CB 4Å; L74-V87 HydrophobicContact CD1-CG1 4.12Å; L74-V87 HydrophobicContact CG-CG1 4.41Å; L74-V101 HydrophobicContact CD1-CG1 4.31Å
75D86.5Confident73Confident14 Ų1476.1 Ų76.18%0.07539%0.389CS..  trans-122.2117.1170.8171.31000108.5M77 T78 S79D75-M77 PolarHBondContact O-N 2.85Å; D75-M77 VanDerWaalsContact O-N 3.13Å; D75-M77 WeakPolarHBondContact OD1-CB 3.41Å; D75-M77 PolarHBondContact OD1-N 2.86Å; D75-T78 VanDerWaalsContact CB-OG1 3.31Å; D75-T78 WeakPolarHBondContact CB-OG1 3.33Å; D75-T78 PolarHBondContact O-N 3.38Å; D75-T78 WeakPolarHBondContact OD2-CG2 3.41Å; D75-T78 PolarHBondContact OD2-OG1 3.45Å; D75-S79 PolarHBondContact N-OG 3.46Å; D75-S79 WeakPolarHBondContact O-CA 3.48Å; D75-S79 WeakPolarHBondContact O-CB 3.42Å; D75-S79 PolarHBondContact O-N 2.84Å; D75-S79 PolarHBondContact O-OG 2.98Å
76P83.2Confident74.5Confident9 Ų975.8 Ų75.86%0.05839%0.387CS..THydrogen-bonded Turntrans-65.7-13.6-177.430.4-33.7000114.1L57 V87 I89 L99L57-P76 HydrophobicContact CB-CG 4.29Å; L57-P76 HydrophobicContact CD2-CG 4.22Å; L57-P76 HydrophobicContact CG-CG 4.47Å; L57-P76 WeakPolarHBondContact O-CD 3.32Å; P76-V87 HydrophobicContact CB-CG1 3.88Å; P76-V87 HydrophobicContact CB-CG2 4.12Å; P76-I89 HydrophobicContact CB-CD1 4.42Å; P76-I89 HydrophobicContact CB-CG1 3.77Å; P76-I89 HydrophobicContact CG-CG1 4.27Å; P76-L99 HydrophobicContact CB-CD2 4.1Å; P76-L99 HydrophobicContact CG-CD2 4.06Å
77M80.1Confident76.5Confident55 Ų5569.2 Ų69.227%0.27135%0.352SS..THydrogen-bonded Turntrans-89.4-30.7178.2-61.1-61.9-73.600112.5L51 D75 Y80 I89L51-M77 HydrophobicContact CD2-SD 4.25Å; D75-M77 PolarHBondContact O-N 2.85Å; D75-M77 VanDerWaalsContact O-N 3.13Å; D75-M77 WeakPolarHBondContact OD1-CB 3.41Å; D75-M77 PolarHBondContact OD1-N 2.86Å; M77-Y80 WeakPolarHBondContact O-CE2 3.38Å; M77-I89 HydrophobicContact SD-CD1 3.51Å; M77-I89 VanDerWaalsContact SD-CD1 3.51Å
78T75.1Confident78.4Confident99 Ų9969 Ų6961%0.60735%0.347SS*.THydrogen-bonded Turntrans-121.1-23.2-170.963.20000114.3D75 Y80D75-T78 VanDerWaalsContact CB-OG1 3.31Å; D75-T78 WeakPolarHBondContact CB-OG1 3.33Å; D75-T78 PolarHBondContact O-N 3.38Å; D75-T78 WeakPolarHBondContact OD2-CG2 3.41Å; D75-T78 PolarHBondContact OD2-OG1 3.45Å; T78-Y80 PolarHBondContact O-N 3.12Å
79S66.3Low80.4Confident23 Ų2367.7 Ų67.716%0.16134%0.336CS..  trans-86.870.5-174.4-60.80000112.6D75 R81D75-S79 PolarHBondContact N-OG 3.46Å; D75-S79 WeakPolarHBondContact O-CA 3.48Å; D75-S79 WeakPolarHBondContact O-CB 3.42Å; D75-S79 PolarHBondContact O-N 2.84Å; D75-S79 PolarHBondContact O-OG 2.98Å; S79-R81 PolarHBondContact O-N 3.44Å; S79-R81 VanDerWaalsContact O-N 3.14Å
80Y64.8Low81.6Confident195 Ų19564.9 Ų64.977%0.76533%0.334SS*.  trans-82.581.5168.8-61.4-84.3000110.4M77 T78M77-Y80 WeakPolarHBondContact O-CE2 3.38Å; T78-Y80 PolarHBondContact O-N 3.12Å
81R64.6Low82.4Confident115 Ų11567.5 Ų67.543%0.43435%0.346SS..  trans-94.6136177-58.3-174.6-175171.48.3110.6E73 S79 K83 Q86E73-R81 PolarHBondContact O-NH2 2.63Å; E73-R81 VanDerWaalsContact O-NH2 3.12Å; S79-R81 PolarHBondContact O-N 3.44Å; S79-R81 VanDerWaalsContact O-N 3.14Å; R81-K83 WeakPolarHBondContact CB-O 3.38Å; R81-Q86 HydrophobicContact CB-CG 4.32Å; R81-Q86 VanDerWaalsContact O-CD 3.24Å; R81-Q86 PolarHBondContact O-NE2 2.88Å
82S60Low82.7Confident117 Ų11768.3 Ų68.382%0.81835%0.345SS*.SBendtrans-84-18.6173.957.60000113.2
83K68.6Low83.1Confident177 Ų17771.1 Ų71.177%0.7736%0.364SS*.SBendtrans-141159.7178.8-65.3-174178.7-176.50110.3R81R81-K83 WeakPolarHBondContact CB-O 3.38Å
84G84.6Confident83.3Confident33 Ų3369.1 Ų69.134%0.3437%0.367SS..SBendtrans86.1-160.517900000113.4
85W92.1Very high83.7Confident5 Ų571.6 Ų71.62%0.01938%0.382CS..SBendtrans-65.5138172.7-76.775.6000111.6F41 F61 V72 L74 V101 I102 S103 A107 Y112 F124 L126F41-W85 HydrophobicContact CE1-CZ3 4.31Å; F41-W85 HydrophobicContact CZ-CZ3 4.42Å; F61-W85 HydrophobicContact CD1-CH2 4.39Å; F61-W85 HydrophobicContact CD1-CZ3 4.1Å; F61-W85 HydrophobicContact CD2-CE3 4.14Å; F61-W85 HydrophobicContact CD2-CZ3 4.04Å; F61-W85 HydrophobicContact CE1-CZ3 4.05Å; F61-W85 HydrophobicContact CE2-CE3 4.08Å; F61-W85 HydrophobicContact CE2-CZ3 4.03Å; F61-W85 HydrophobicContact CG-CH2 4.39Å; F61-W85 HydrophobicContact CG-CZ3 4.08Å; F61-W85 HydrophobicContact CZ-CE3 4.46Å; F61-W85 HydrophobicContact CZ-CZ3 4.03Å; V72-W85 HydrophobicContact CB-CG 4.43Å; V72-W85 HydrophobicContact CG1-CB 3.57Å; V72-W85 HydrophobicContact CG1-CD2 4Å; V72-W85 HydrophobicContact CG1-CE3 4.45Å; V72-W85 HydrophobicContact CG1-CG 3.64Å; V72-W85 HydrophobicContact CG2-CD2 4.32Å; V72-W85 HydrophobicContact CG2-CG 4.12Å; L74-W85 HydrophobicContact CD1-CB 4.1Å; L74-W85 HydrophobicContact CD1-CE3 4.42Å; L74-W85 HydrophobicContact CD2-CB 3.96Å; L74-W85 WeakPolarHBondContact CD2-O 3.46Å; L74-W85 HydrophobicContact CG-CB 4.5Å; W85-V101 HydrophobicContact CE3-CG1 4.05Å; W85-V101 HydrophobicContact CZ3-CG1 4.11Å; W85-I102 CarbonylContact C-O 3.58Å; W85-I102 VanDerWaalsContact CA-O 3.32Å; W85-I102 WeakPolarHBondContact CA-O 3.09Å; W85-S103 VanDerWaalsContact CZ2-CB 3.41Å; W85-A107 HydrophobicContact CZ2-CB 4.41Å; W85-Y112 HydrophobicContact CZ2-CE1 4.15Å; W85-F124 HydrophobicContact CH2-CE2 4.49Å; W85-F124 HydrophobicContact CH2-CZ 4.13Å; W85-L126 HydrophobicContact CH2-CD2 4.15Å; W85-L126 HydrophobicContact CZ2-CD2 3.72Å
86Q91.8Very high84.2Confident42 Ų4273.7 Ų73.720%0.19639%0.392CS..EExtended strand (participates in β ladder)trans-139.8151.3-178.6-51.5172.914.900110.4R81 V101 I102R81-Q86 HydrophobicContact CB-CG 4.32Å; R81-Q86 VanDerWaalsContact O-CD 3.24Å; R81-Q86 PolarHBondContact O-NE2 2.88Å; Q86-V101 CarbonylContact O-C 3.57Å; Q86-V101 WeakPolarHBondContact O-CA 3.07Å; Q86-I102 HydrophobicContact CB-CG2 3.71Å; Q86-I102 HydrophobicContact CG-CG2 4.25Å; Q86-I102 PolarHBondContact N-O 2.92Å; Q86-I102 PolarHBondContact O-N 3.22Å
87V92.5Very high84.8Confident4 Ų473.2 Ų73.22%0.02439%0.389CS..EExtended strand (participates in β ladder)trans-137.3141.9171.663.50000109.3L59 L74 P76 L99 N100 V101L59-V87 HydrophobicContact CD1-CG2 4.44Å; L59-V87 HydrophobicContact CD2-CG2 4.12Å; L74-V87 HydrophobicContact CB-CB 4.28Å; L74-V87 HydrophobicContact CB-CG1 3.51Å; L74-V87 HydrophobicContact CD1-CB 4Å; L74-V87 HydrophobicContact CD1-CG1 4.12Å; L74-V87 HydrophobicContact CG-CG1 4.41Å; P76-V87 HydrophobicContact CB-CG1 3.88Å; P76-V87 HydrophobicContact CB-CG2 4.12Å; V87-L99 HydrophobicContact CG2-CB 4.09Å; V87-L99 HydrophobicContact CG2-CD1 4.47Å; V87-L99 HydrophobicContact CG2-CD2 4.44Å; V87-N100 CarbonylContact C-O 3.58Å; V87-N100 VanDerWaalsContact CA-O 3.31Å; V87-N100 WeakPolarHBondContact CA-O 3.34Å; V87-V101 HydrophobicContact CB-CG2 4.2Å; V87-V101 HydrophobicContact CG2-CG2 3.74Å
88K91.8Very high85.6Confident132 Ų13271.7 Ų71.757%0.57438%0.382SS*.EExtended strand (participates in β ladder)trans-136.2144.3176-64.8-177.2-178.5177.70110.4A90 L99 N100K88-A90 PolarHBondContact O-N 3.23Å; K88-L99 WeakPolarHBondContact O-CA 3.2Å; K88-N100 PolarHBondContact N-O 3.18Å; K88-N100 PolarHBondContact O-N 2.8Å
89I93.6Very high86.6Confident53 Ų5367 Ų6727%0.27235%0.353SS..EExtended strand (participates in β ladder)trans-72.5110.9168.3-53.1-172.7000108L51 P76 M77 Q92 V97 L99L51-I89 HydrophobicContact CD2-CD1 3.55Å; P76-I89 HydrophobicContact CB-CD1 4.42Å; P76-I89 HydrophobicContact CB-CG1 3.77Å; P76-I89 HydrophobicContact CG-CG1 4.27Å; M77-I89 HydrophobicContact SD-CD1 3.51Å; M77-I89 VanDerWaalsContact SD-CD1 3.51Å; I89-Q92 HydrophobicContact CG2-CB 4.43Å; I89-V97 HydrophobicContact CG2-CG1 3.98Å; I89-L99 HydrophobicContact CG1-CD2 3.99Å
90A93.3Very high88Confident54 Ų5468.4 Ų68.445%0.44636%0.359SS..EExtended strand (participates in β ladder)trans-83.6-36.1178.100000111.6K88 V98 N100K88-A90 PolarHBondContact O-N 3.23Å; A90-V98 HydrophobicContact CB-CB 4.47Å; A90-V98 HydrophobicContact CB-CG1 4.28Å; A90-V98 PolarHBondContact N-O 3.19Å; A90-N100 HydrophobicContact CB-CB 4.43Å
91K94Very high89.5Confident121 Ų12159.1 Ų59.153%0.52632%0.323SS..EExtended strand (participates in β ladder)trans-154.8142.4178.5-172.6-179178.9-171.60110.1V98K91-V98 HydrophobicContact CB-CB 4.04Å; K91-V98 HydrophobicContact CB-CG2 4.02Å; K91-V98 PolarHBondContact N-O 3.39Å; K91-V98 PolarHBondContact O-N 2.98Å
92Q92.9Very high90.9Very high92 Ų9255.9 Ų55.943%0.4331%0.314SS..EExtended strand (participates in β ladder)trans-125.3127.4168.8179.6174.3-21.300108.7L51 I89 V97L51-Q92 PolarHBondContact O-NE2 3.26Å; I89-Q92 HydrophobicContact CG2-CB 4.43Å; Q92-V97 HydrophobicContact CG-CG2 4.38Å
93S93.4Very high92.6Very high65 Ų6550.4 Ų50.446%0.45528%0.276SS..EExtended strand (participates in β ladder)trans-141.593.4-177.7-1770000110.2V95 E96S93-V95 PolarHBondContact O-N 2.57Å; S93-V95 VanDerWaalsContact O-N 3.14Å; S93-E96 PolarHBondContact N-O 3.39Å; S93-E96 PolarHBondContact O-N 2.99Å; S93-E96 VanDerWaalsContact O-N 3.08Å
94G93.4Very high93.8Very high45 Ų4542.6 Ų42.646%0.46424%0.244SC..THydrogen-bonded Turntrans60.3-116.7-173.300000110.3P50P50-G94 VanDerWaalsContact CA-O 3.24Å; P50-G94 WeakPolarHBondContact CA-O 3.37Å; P50-G94 WeakPolarHBondContact CB-O 3.39Å
95V95.1Very high94.4Very high54 Ų5442 Ų4233%0.32724%0.235SC..THydrogen-bonded Turntrans-89.4-6.2-179.9-59.40000114.2M46 L47 P50 S93M46-V95 HydrophobicContact CE-CG2 3.76Å; L47-V95 PolarHBondContact N-O 2.88Å; L47-V95 WeakPolarHBondContact O-CB 3.43Å; P50-V95 HydrophobicContact CG-CG1 4.46Å; S93-V95 PolarHBondContact O-N 2.57Å; S93-V95 VanDerWaalsContact O-N 3.14Å
96E97Very high94.6Very high57 Ų5746.4 Ų46.427%0.26626%0.259SS..EExtended strand (participates in β ladder)trans-92.4130176.3-175.3-177.389.700110.3M46 S93M46-E96 HydrophobicContact CE-CB 4.36Å; M46-E96 HydrophobicContact SD-CB 3.72Å; M46-E96 HydrophobicContact SD-CG 3.78Å; S93-E96 PolarHBondContact N-O 3.39Å; S93-E96 PolarHBondContact O-N 2.99Å; S93-E96 VanDerWaalsContact O-N 3.08Å
97V96.5Very high94.8Very high0 Ų044.5 Ų44.50%025%0.251CS..EExtended strand (participates in β ladder)trans-122.1123.9172.8-177.20000109.2V45 L47 L51 I89 Q92 L99V45-V97 PolarHBondContact N-O 3.41Å; V45-V97 PolarHBondContact O-N 3.15Å; L47-V97 HydrophobicContact CD1-CB 4.45Å; L47-V97 HydrophobicContact CD1-CG2 3.51Å; L47-V97 HydrophobicContact CG-CG2 4.44Å; L51-V97 HydrophobicContact CB-CG2 4.05Å; L51-V97 HydrophobicContact CD2-CG1 4.48Å; L51-V97 HydrophobicContact CD2-CG2 4.23Å; I89-V97 HydrophobicContact CG2-CG1 3.98Å; Q92-V97 HydrophobicContact CG-CG2 4.38Å; V97-L99 HydrophobicContact CG1-CD2 3.67Å; V97-L99 HydrophobicContact CG1-CG 4.2Å
98V96.9Very high94.9Very high22 Ų2244.4 Ų44.413%0.13325%0.251CS..EExtended strand (participates in β ladder)trans-97122.8173-172.60000108.5K44 A90 K91K44-V98 HydrophobicContact CG-CG2 4.23Å; A90-V98 HydrophobicContact CB-CB 4.47Å; A90-V98 HydrophobicContact CB-CG1 4.28Å; A90-V98 PolarHBondContact N-O 3.19Å; K91-V98 HydrophobicContact CB-CB 4.04Å; K91-V98 HydrophobicContact CB-CG2 4.02Å; K91-V98 PolarHBondContact N-O 3.39Å; K91-V98 PolarHBondContact O-N 2.98Å
99L95.9Very high95.2Very high0 Ų038.2 Ų38.20%022%0.224CC..EExtended strand (participates in β ladder)trans-110.7135.8179.1-55.9175.5000110.1S42 L43 V45 L57 L59 P76 V87 K88 I89 V97S42-L99 CarbonylContact C-O 3.51Å; S42-L99 VanDerWaalsContact CA-O 3.28Å; S42-L99 WeakPolarHBondContact CA-O 3.3Å; L43-L99 HydrophobicContact CD1-CD1 4.18Å; L43-L99 HydrophobicContact CD2-CB 4.29Å; L43-L99 HydrophobicContact CG-CB 4.12Å; L43-L99 HydrophobicContact CG-CD1 4.46Å; L43-L99 PolarHBondContact N-O 3.29Å; L43-L99 PolarHBondContact O-N 2.94Å; V45-L99 HydrophobicContact CG2-CD1 3.81Å; V45-L99 HydrophobicContact CG2-CG 4.37Å; L57-L99 HydrophobicContact CD2-CD1 4.17Å; L57-L99 HydrophobicContact CD2-CD2 4.42Å; L59-L99 HydrophobicContact CD1-CD1 3.7Å; L59-L99 HydrophobicContact CD2-CD1 4.02Å; L59-L99 HydrophobicContact CG-CD1 4.35Å; P76-L99 HydrophobicContact CB-CD2 4.1Å; P76-L99 HydrophobicContact CG-CD2 4.06Å; V87-L99 HydrophobicContact CG2-CB 4.09Å; V87-L99 HydrophobicContact CG2-CD1 4.47Å; V87-L99 HydrophobicContact CG2-CD2 4.44Å; K88-L99 WeakPolarHBondContact O-CA 3.2Å; I89-L99 HydrophobicContact CG1-CD2 3.99Å; V97-L99 HydrophobicContact CG1-CD2 3.67Å; V97-L99 HydrophobicContact CG1-CG 4.2Å
100N95.6Very high95.3Very high53 Ų5335.9 Ų35.928%0.28321%0.212SC..EExtended strand (participates in β ladder)trans-104.8121.8167.8-76.2-10.2000108.6I40 S42 V87 K88 A90I40-N100 HydrophobicContact CG2-CB 3.88Å; S42-N100 PolarHBondContact OG-OD1 3.15Å; V87-N100 CarbonylContact C-O 3.58Å; V87-N100 VanDerWaalsContact CA-O 3.31Å; V87-N100 WeakPolarHBondContact CA-O 3.34Å; K88-N100 PolarHBondContact N-O 3.18Å; K88-N100 PolarHBondContact O-N 2.8Å; A90-N100 HydrophobicContact CB-CB 4.43Å
101V95.3Very high95.3Very high0 Ų037.8 Ų37.80%021%0.208CC..EExtended strand (participates in β ladder)trans-113.7138.7179.5-176.40000108.7I40 F41 L43 L59 F61 L74 W85 Q86 V87I40-V101 CarbonylContact C-O 3.57Å; I40-V101 VanDerWaalsContact CA-O 3.27Å; I40-V101 WeakPolarHBondContact CA-O 3.48Å; F41-V101 HydrophobicContact CD1-CB 4.08Å; F41-V101 HydrophobicContact CD1-CG1 4.39Å; F41-V101 VanDerWaalsContact CD1-O 3.3Å; F41-V101 WeakPolarHBondContact CD1-O 3.1Å; F41-V101 HydrophobicContact CD2-CB 4.38Å; F41-V101 HydrophobicContact CE1-CB 3.57Å; F41-V101 HydrophobicContact CE1-CG1 3.47Å; F41-V101 VanDerWaalsContact CE1-CG1 3.47Å; F41-V101 HydrophobicContact CE2-CB 3.9Å; F41-V101 HydrophobicContact CE2-CG1 4.32Å; F41-V101 HydrophobicContact CE2-CG2 4.24Å; F41-V101 HydrophobicContact CG-CB 4.47Å; F41-V101 HydrophobicContact CZ-CB 3.48Å; F41-V101 VanDerWaalsContact CZ-CB 3.48Å; F41-V101 HydrophobicContact CZ-CG1 3.44Å; F41-V101 VanDerWaalsContact CZ-CG1 3.44Å; F41-V101 HydrophobicContact CZ-CG2 4.14Å; F41-V101 PolarHBondContact N-O 2.92Å; F41-V101 PolarHBondContact O-N 3.13Å; L43-V101 HydrophobicContact CD2-CG2 3.58Å; L59-V101 HydrophobicContact CD2-CG2 3.7Å; F61-V101 HydrophobicContact CE2-CG1 4.38Å; F61-V101 HydrophobicContact CZ-CG1 3.92Å; L74-V101 HydrophobicContact CD1-CG1 4.31Å; W85-V101 HydrophobicContact CE3-CG1 4.05Å; W85-V101 HydrophobicContact CZ3-CG1 4.11Å; Q86-V101 CarbonylContact O-C 3.57Å; Q86-V101 WeakPolarHBondContact O-CA 3.07Å; V87-V101 HydrophobicContact CB-CG2 4.2Å; V87-V101 HydrophobicContact CG2-CG2 3.74Å
102I95Very high95.3Very high47 Ų4732.1 Ų32.124%0.24118%0.183CC..EExtended strand (participates in β ladder)trans-130.5133.7170.4-179.1169.3000108.5I40 W85 Q86I40-I102 HydrophobicContact CG1-CB 3.94Å; I40-I102 HydrophobicContact CG1-CD1 4.09Å; I40-I102 HydrophobicContact CG1-CG1 4.38Å; W85-I102 CarbonylContact C-O 3.58Å; W85-I102 VanDerWaalsContact CA-O 3.32Å; W85-I102 WeakPolarHBondContact CA-O 3.09Å; Q86-I102 HydrophobicContact CB-CG2 3.71Å; Q86-I102 HydrophobicContact CG-CG2 4.25Å; Q86-I102 PolarHBondContact N-O 2.92Å; Q86-I102 PolarHBondContact O-N 3.22Å
103S95.6Very high95.4Very high3 Ų329.9 Ų29.92%0.02118%0.176CC..  trans-86.8161.6170.762.40000111.2R37 G38 W85R37-S103 VanDerWaalsContact CA-OG 3.25Å; R37-S103 WeakPolarHBondContact CA-OG 3.49Å; G38-S103 VanDerWaalsContact CA-O 3.24Å; G38-S103 WeakPolarHBondContact CA-O 3.44Å; G38-S103 PolarHBondContact N-O 2.89Å; G38-S103 PolarHBondContact N-OG 2.92Å; G38-S103 VanDerWaalsContact N-OG 3.11Å; W85-S103 VanDerWaalsContact CZ2-CB 3.41Å
104A94.6Very high95.5Very high12 Ų1226.9 Ų26.910%0.09916%0.155CC..  trans-59.7147.6169.700000110.9G38 D106 A107G38-A104 PolarHBondContact N-O 2.83Å; A104-D106 WeakPolarHBondContact CB-OD1 3.42Å; A104-D106 PolarHBondContact O-N 2.84Å; A104-A107 HydrophobicContact CB-CB 4.22Å; A104-A107 WeakPolarHBondContact O-CB 3.22Å; A104-A107 PolarHBondContact O-N 3.19Å
105A96.7Very high95.5Very high20 Ų2026.6 Ų26.617%0.16514%0.143CC..THydrogen-bonded Turntrans-66.9-15.7176.400000113.2R37 D134R37-A105 WeakPolarHBondContact CD-O 3.29Å; R37-A105 PolarHBondContact NE-O 2.62Å; R37-A105 PolarHBondContact NH2-O 3.19Å; A105-D134 HydrophobicContact CB-CB 3.66Å
106D95.6Very high95.5Very high98 Ų9824 Ų2452%0.52413%0.127SC..THydrogen-bonded Turntrans-107.814.7173.562.6-13.1000112.5A104 Q195A104-D106 WeakPolarHBondContact CB-OD1 3.42Å; A104-D106 PolarHBondContact O-N 2.84Å; D106-Q195 VanDerWaalsContact O-CB 3.31Å; D106-Q195 WeakPolarHBondContact O-CB 3.33Å; D106-Q195 WeakPolarHBondContact O-CG 3.3Å
107A95.8Very high95.3Very high2 Ų223.3 Ų23.32%0.01713%0.125CC..PPolyproline II helixtrans-58150.517900000112.1R37 W85 A104 V109 L126R37-A107 HydrophobicContact CB-CB 4.28Å; R37-A107 WeakPolarHBondContact CD-O 3.27Å; R37-A107 PolarHBondContact NH1-O 3.11Å; R37-A107 VanDerWaalsContact NH1-O 3.13Å; W85-A107 HydrophobicContact CZ2-CB 4.41Å; A104-A107 HydrophobicContact CB-CB 4.22Å; A104-A107 WeakPolarHBondContact O-CB 3.22Å; A104-A107 PolarHBondContact O-N 3.19Å; A107-V109 PolarHBondContact O-N 3.39Å; A107-L126 HydrophobicContact CB-CD2 3.91Å
108V95.4Very high95Very high3 Ų332.1 Ų32.12%0.01817%0.167CC..PPolyproline II helixtrans-55.8122176-179.30000109T63 Y70 Y112 P191 M194 Q195T63-V108 HydrophobicContact CG2-CB 4.49Å; T63-V108 HydrophobicContact CG2-CG1 4.05Å; Y70-V108 HydrophobicContact CD1-CB 4.25Å; Y70-V108 HydrophobicContact CD1-CG2 3.87Å; Y70-V108 HydrophobicContact CD2-CG2 4.08Å; Y70-V108 HydrophobicContact CE1-CB 4.43Å; Y70-V108 HydrophobicContact CE1-CG2 4.02Å; Y70-V108 HydrophobicContact CE2-CG2 4.23Å; Y70-V108 HydrophobicContact CG-CG2 3.91Å; V108-Y112 WeakPolarHBondContact CB-OH 3.45Å; V108-Y112 VanDerWaalsContact O-CE2 3.26Å; V108-Y112 WeakPolarHBondContact O-CE2 3.3Å; V108-Y112 PolarHBondContact O-OH 2.9Å; V108-P191 HydrophobicContact CG1-CB 4.38Å; V108-P191 HydrophobicContact CG2-CB 4.14Å; V108-P191 WeakPolarHBondContact CG2-O 3.49Å; V108-M194 HydrophobicContact CG1-CB 3.65Å; V108-Q195 HydrophobicContact CB-CG 4.39Å; V108-Q195 HydrophobicContact CG2-CG 3.72Å
109V97.3Very high94.9Very high2 Ų234.2 Ų34.21%0.01217%0.174CC..PPolyproline II helixtrans-79.6152.4172.7-57.20000109.9A107 L126 F128 F183 M194 V200A107-V109 PolarHBondContact O-N 3.39Å; V109-L126 CarbonylContact C-O 3.56Å; V109-L126 VanDerWaalsContact CA-O 3.31Å; V109-L126 WeakPolarHBondContact CA-O 3.44Å; V109-L126 WeakPolarHBondContact CB-O 3.5Å; V109-F128 HydrophobicContact CB-CD2 4.47Å; V109-F128 HydrophobicContact CB-CE2 4.3Å; V109-F128 HydrophobicContact CG1-CD1 4.07Å; V109-F128 HydrophobicContact CG1-CD2 3.85Å; V109-F128 HydrophobicContact CG1-CE1 4.1Å; V109-F128 HydrophobicContact CG1-CE2 3.9Å; V109-F128 HydrophobicContact CG1-CG 3.93Å; V109-F128 HydrophobicContact CG1-CZ 4.01Å; V109-F128 HydrophobicContact CG2-CD2 4.1Å; V109-F128 HydrophobicContact CG2-CE2 3.52Å; V109-F128 HydrophobicContact CG2-CZ 3.89Å; V109-F183 HydrophobicContact CB-CE1 4.36Å; V109-F183 HydrophobicContact CG2-CE1 4.09Å; V109-M194 HydrophobicContact CG2-CE 4.13Å; V109-M194 VanDerWaalsContact CG2-O 3.31Å; V109-M194 WeakPolarHBondContact CG2-O 3.3Å; V109-M194 PolarHBondContact N-O 2.89Å; V109-M194 WeakPolarHBondContact O-CE 3.47Å; V109-V200 HydrophobicContact CG2-CG2 4.48Å
110G95.6Very high94.9Very high3 Ų339.3 Ų39.33%0.03120%0.201CC..EExtended strand (participates in β ladder)trans139.9-164.8179.800000115F125 L126G110-F125 CarbonylContact O-C 3.48Å; G110-F125 WeakPolarHBondContact O-CA 3.42Å; G110-L126 PolarHBondContact N-O 3.49Å; G110-L126 PolarHBondContact O-N 3.44Å
111R94.3Very high94.8Very high95 Ų9537.4 Ų37.436%0.35819%0.193SC..EExtended strand (participates in β ladder)trans-88.9124.4179.1-174.3-175.669.8-178.42.3110.4G64 V123 F125G64-R111 PolarHBondContact N-O 2.78Å; G64-R111 PolarHBondContact O-NH2 2.73Å; R111-V123 HydrophobicContact CG-CG1 3.47Å; R111-V123 VanDerWaalsContact CG-CG1 3.47Å; R111-F125 HydrophobicContact CB-CD1 4.05Å; R111-F125 HydrophobicContact CB-CE1 3.78Å; R111-F125 HydrophobicContact CG-CE1 4.14Å
112Y94.2Very high94.7Very high1 Ų138.5 Ų38.50%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-114.2139.2176.8-75.9-100.8000111.5F61 N62 T63 Y70 W85 V108 V123 F124 L126F61-Y112 HydrophobicContact CB-CD1 3.91Å; F61-Y112 HydrophobicContact CB-CE1 4.38Å; N62-Y112 CarbonylContact O-C 3.49Å; N62-Y112 VanDerWaalsContact O-CA 3.25Å; N62-Y112 WeakPolarHBondContact O-CA 3.23Å; T63-Y112 HydrophobicContact CG2-CD1 3.93Å; T63-Y112 HydrophobicContact CG2-CD2 4.39Å; T63-Y112 HydrophobicContact CG2-CE1 3.47Å; T63-Y112 VanDerWaalsContact CG2-CE1 3.47Å; T63-Y112 HydrophobicContact CG2-CE2 3.94Å; T63-Y112 HydrophobicContact CG2-CG 4.4Å; T63-Y112 VanDerWaalsContact CG2-CZ 3.49Å; Y70-Y112 HydrophobicContact CD1-CE1 4.2Å; Y70-Y112 HydrophobicContact CE1-CE1 4.4Å; W85-Y112 HydrophobicContact CZ2-CE1 4.15Å; V108-Y112 WeakPolarHBondContact CB-OH 3.45Å; V108-Y112 VanDerWaalsContact O-CE2 3.26Å; V108-Y112 WeakPolarHBondContact O-CE2 3.3Å; V108-Y112 PolarHBondContact O-OH 2.9Å; Y112-V123 VanDerWaalsContact O-CA 3.27Å; Y112-V123 WeakPolarHBondContact O-CA 2.91Å; Y112-V123 WeakPolarHBondContact O-CG1 3.45Å; Y112-F124 HydrophobicContact CD1-CZ 4.19Å; Y112-F124 HydrophobicContact CD2-CE2 4.11Å; Y112-F124 HydrophobicContact CD2-CZ 4.13Å; Y112-F124 HydrophobicContact CG-CE1 4.1Å; Y112-F124 HydrophobicContact CG-CE2 4.1Å; Y112-F124 AromaticContact CG-CZ 3.65Å; Y112-F124 HydrophobicContact CG-CZ 3.65Å; Y112-F124 PolarHBondContact N-O 2.81Å; Y112-F124 PolarHBondContact O-N 2.6Å; Y112-L126 HydrophobicContact CD2-CB 3.98Å; Y112-L126 HydrophobicContact CE2-CB 3.73Å; Y112-L126 HydrophobicContact CE2-CD2 4.07Å
113T94.3Very high94.6Very high46 Ų4638.4 Ų38.428%0.28221%0.206SC..EExtended strand (participates in β ladder)trans-89149.4157.367.70000108.8F61 N62 V123F61-T113 WeakPolarHBondContact CA-O 3.34Å; N62-T113 PolarHBondContact N-O 2.9Å; N62-T113 PolarHBondContact O-N 3.46Å; T113-V123 HydrophobicContact CG2-CG2 4.24Å
114M94.6Very high94.7Very high1 Ų138.4 Ų38.41%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-131.9128.9179.5-179.6172.465.300110.6L14 I60 F61 A121 G122 F124L14-M114 HydrophobicContact CD1-CE 3.68Å; L14-M114 HydrophobicContact CD2-CE 3.08Å; L14-M114 HydrophobicContact CG-CE 3.99Å; I60-M114 WeakPolarHBondContact O-CA 3.23Å; F61-M114 HydrophobicContact CD1-CB 4.2Å; F61-M114 HydrophobicContact CD1-CG 3.93Å; F61-M114 HydrophobicContact CD1-SD 4.13Å; F61-M114 HydrophobicContact CE1-CB 4.4Å; F61-M114 HydrophobicContact CE1-CG 3.72Å; F61-M114 HydrophobicContact CE1-SD 3.41Å; F61-M114 WeakPolarHBondContact CE1-SD 3.46Å; F61-M114 HydrophobicContact CZ-SD 4.2Å; M114-A121 HydrophobicContact CB-CB 4.41Å; M114-A121 HydrophobicContact CE-CB 3.54Å; M114-A121 HydrophobicContact CG-CB 4.14Å; M114-A121 WeakPolarHBondContact O-CA 3.49Å; M114-A121 WeakPolarHBondContact O-CB 3.31Å; M114-A121 PolarHBondContact O-N 3.44Å; M114-G122 PolarHBondContact N-O 2.81Å; M114-G122 PolarHBondContact O-N 3.37Å; M114-F124 HydrophobicContact CB-CD1 4.31Å; M114-F124 HydrophobicContact CB-CE1 4.11Å
115N95.1Very high94.8Very high39 Ų3938 Ų3821%0.20920%0.201CC..EExtended strand (participates in β ladder)trans-121.3142.9174.7-62.387.8000109.7L59 I60 F119L59-N115 WeakPolarHBondContact CA-O 3.38Å; I60-N115 HydrophobicContact CB-CB 4.37Å; I60-N115 PolarHBondContact N-O 3.19Å; I60-N115 PolarHBondContact O-N 2.69Å; N115-F119 CarbonylContact C-O 3.47Å; N115-F119 VanDerWaalsContact CA-O 3.24Å; N115-F119 WeakPolarHBondContact CA-O 3.34Å
116V94.6Very high94.9Very high0 Ų037 Ų370%019%0.193CC..EExtended strand (participates in β ladder)trans-117106.4169.7-171.80000107.1V9 V12 L43 V45 L57 K58 L59 E118 F119 A121V9-V116 HydrophobicContact CG2-CG1 3.99Å; V12-V116 HydrophobicContact CG1-CG2 4.22Å; V12-V116 HydrophobicContact CG2-CB 4.01Å; V12-V116 HydrophobicContact CG2-CG2 3.81Å; L43-V116 HydrophobicContact CD1-CG2 4.18Å; V45-V116 HydrophobicContact CG1-CG1 4.2Å; V45-V116 HydrophobicContact CG2-CG1 4.28Å; L57-V116 HydrophobicContact CD1-CG1 3.67Å; L57-V116 HydrophobicContact CG-CG1 4.42Å; K58-V116 CarbonylContact O-C 3.54Å; K58-V116 VanDerWaalsContact O-CA 3.3Å; K58-V116 WeakPolarHBondContact O-CA 3.38Å; L59-V116 HydrophobicContact CG-CG2 4.41Å; V116-E118 PolarHBondContact O-N 3.38Å; V116-F119 PolarHBondContact N-O 2.88Å; V116-F119 WeakPolarHBondContact O-CB 3.37Å; V116-F119 PolarHBondContact O-N 2.82Å; V116-A121 HydrophobicContact CG2-CB 4.34Å
117N92.7Very high95Very high42 Ų4232.3 Ų32.323%0.22517%0.168CC..THydrogen-bonded Turntrans48-122.9-158.1-67.3-2.4000109.8V9 E56 K58V9-N117 HydrophobicContact CG2-CB 4.39Å; E56-N117 PolarHBondContact O-ND2 2.93Å; E56-N117 VanDerWaalsContact O-ND2 3.13Å; K58-N117 PolarHBondContact N-OD1 3.06Å; K58-N117 PolarHBondContact O-N 2.92Å
118E90.6Very high95.2Very high186 Ų18632.2 Ų32.287%0.86917%0.167SC*.THydrogen-bonded Turntrans-86-6178.7-60.8-177.3170.900113.6V116 D120V116-E118 PolarHBondContact O-N 3.38Å; E118-D120 PolarHBondContact O-N 2.98Å
119F94.8Very high95.4Very high66 Ų6632.2 Ų32.229%0.28917%0.167SC..EExtended strand (participates in β ladder)trans-79.3122.8-178.3-172.4-84.5000111V9 Y10 V12 N115 V116 A121V9-F119 HydrophobicContact CB-CB 3.93Å; V9-F119 HydrophobicContact CG1-CB 3.73Å; V9-F119 HydrophobicContact CG1-CD1 4.43Å; V9-F119 HydrophobicContact CG1-CD2 4.24Å; V9-F119 HydrophobicContact CG1-CG 3.89Å; Y10-F119 WeakPolarHBondContact O-CE2 3.32Å; V12-F119 HydrophobicContact CB-CD1 4.01Å; V12-F119 HydrophobicContact CB-CE1 3.8Å; V12-F119 HydrophobicContact CG2-CD1 3.45Å; V12-F119 VanDerWaalsContact CG2-CD1 3.45Å; V12-F119 HydrophobicContact CG2-CE1 3.74Å; V12-F119 HydrophobicContact CG2-CG 4.2Å; N115-F119 CarbonylContact C-O 3.47Å; N115-F119 VanDerWaalsContact CA-O 3.24Å; N115-F119 WeakPolarHBondContact CA-O 3.34Å; V116-F119 PolarHBondContact N-O 2.88Å; V116-F119 WeakPolarHBondContact O-CB 3.37Å; V116-F119 PolarHBondContact O-N 2.82Å; F119-A121 HydrophobicContact CD1-CB 4.37Å; F119-A121 PolarHBondContact O-N 3.12Å
120D94.6Very high95.4Very high106 Ų10632.1 Ų32.157%0.56717%0.166SC*.EExtended strand (participates in β ladder)trans-74.4104.5170.6-1775.9000110.4E118 G122E118-D120 PolarHBondContact O-N 2.98Å; D120-G122 VanDerWaalsContact C-N 3.25Å; D120-G122 WeakPolarHBondContact OD1-CA 3.23Å; D120-G122 PolarHBondContact OD1-N 3.2Å
121A94.3Very high95.6Very high14 Ų1433.9 Ų33.912%0.11617%0.172CC..EExtended strand (participates in β ladder)trans-83.8-3.817800000112.5V12 L14 M114 V116 F119V12-A121 HydrophobicContact CB-CB 4.02Å; V12-A121 HydrophobicContact CG1-CB 3.87Å; V12-A121 HydrophobicContact CG2-CB 4.33Å; L14-A121 HydrophobicContact CD2-CB 4.41Å; M114-A121 HydrophobicContact CB-CB 4.41Å; M114-A121 HydrophobicContact CE-CB 3.54Å; M114-A121 HydrophobicContact CG-CB 4.14Å; M114-A121 WeakPolarHBondContact O-CA 3.49Å; M114-A121 WeakPolarHBondContact O-CB 3.31Å; M114-A121 PolarHBondContact O-N 3.44Å; V116-A121 HydrophobicContact CG2-CB 4.34Å; F119-A121 HydrophobicContact CD1-CB 4.37Å; F119-A121 PolarHBondContact O-N 3.12Å
122G93.1Very high95.8Very high22 Ų2230.1 Ų30.123%0.22716%0.16CC..EExtended strand (participates in β ladder)trans99-156.8173.800000114.2M114 D120M114-G122 PolarHBondContact N-O 2.81Å; M114-G122 PolarHBondContact O-N 3.37Å; D120-G122 VanDerWaalsContact C-N 3.25Å; D120-G122 WeakPolarHBondContact OD1-CA 3.23Å; D120-G122 PolarHBondContact OD1-N 3.2Å
123V93.9Very high95.9Very high46 Ų4633.4 Ų33.428%0.27918%0.184SC..EExtended strand (participates in β ladder)trans-119.7138.8-170.3-179.90000110.8K32 R111 Y112 T113K32-V123 HydrophobicContact CD-CB 4.45Å; K32-V123 HydrophobicContact CD-CG1 4.05Å; R111-V123 HydrophobicContact CG-CG1 3.47Å; R111-V123 VanDerWaalsContact CG-CG1 3.47Å; Y112-V123 VanDerWaalsContact O-CA 3.27Å; Y112-V123 WeakPolarHBondContact O-CA 2.91Å; Y112-V123 WeakPolarHBondContact O-CG1 3.45Å; T113-V123 HydrophobicContact CG2-CG2 4.24Å
124F96.3Very high96.1Very high2 Ų237.2 Ų37.21%0.00920%0.202CC..EExtended strand (participates in β ladder)trans-133.6166.4171.672.3-81.1000111.9L33 L35 F61 W85 Y112 M114 L126L33-F124 HydrophobicContact CB-CB 3.84Å; L33-F124 HydrophobicContact CG-CB 4.3Å; L33-F124 CarbonylContact O-C 3.55Å; L33-F124 WeakPolarHBondContact O-CA 3.24Å; L33-F124 VanDerWaalsContact O-CB 3.29Å; L33-F124 WeakPolarHBondContact O-CB 3.18Å; L35-F124 HydrophobicContact CD1-CD2 3.81Å; L35-F124 HydrophobicContact CD1-CE2 4.11Å; L35-F124 HydrophobicContact CD1-CG 4.48Å; L35-F124 HydrophobicContact CG-CD2 4.37Å; F61-F124 AromaticContact CD1-CE1 3.7Å; F61-F124 HydrophobicContact CD1-CE1 3.7Å; F61-F124 AromaticContact CD1-CZ 3.79Å; F61-F124 HydrophobicContact CD1-CZ 3.79Å; F61-F124 HydrophobicContact CE1-CE1 4.17Å; F61-F124 HydrophobicContact CE1-CZ 4.25Å; W85-F124 HydrophobicContact CH2-CE2 4.49Å; W85-F124 HydrophobicContact CH2-CZ 4.13Å; Y112-F124 HydrophobicContact CD1-CZ 4.19Å; Y112-F124 HydrophobicContact CD2-CE2 4.11Å; Y112-F124 HydrophobicContact CD2-CZ 4.13Å; Y112-F124 HydrophobicContact CG-CE1 4.1Å; Y112-F124 HydrophobicContact CG-CE2 4.1Å; Y112-F124 AromaticContact CG-CZ 3.65Å; Y112-F124 HydrophobicContact CG-CZ 3.65Å; Y112-F124 PolarHBondContact N-O 2.81Å; Y112-F124 PolarHBondContact O-N 2.6Å; M114-F124 HydrophobicContact CB-CD1 4.31Å; M114-F124 HydrophobicContact CB-CE1 4.11Å; F124-L126 HydrophobicContact CE2-CB 4.16Å; F124-L126 HydrophobicContact CE2-CD1 4.49Å
125F97.6Very high96.3Very high3 Ų337.2 Ų37.21%0.01320%0.202CC..EExtended strand (participates in β ladder)trans-107.7136.5169.7-71.2-78.2000110K32 L33 V34 L35 G110 R111 L127 L179 N180 F183K32-F125 HydrophobicContact CB-CD2 4.34Å; K32-F125 HydrophobicContact CB-CE2 4.36Å; K32-F125 HydrophobicContact CD-CD2 4.33Å; K32-F125 HydrophobicContact CD-CE2 3.64Å; K32-F125 HydrophobicContact CD-CZ 4.32Å; L33-F125 PolarHBondContact O-N 2.77Å; V34-F125 HydrophobicContact CG1-CB 4.28Å; V34-F125 HydrophobicContact CG2-CB 4.41Å; V34-F125 HydrophobicContact CG2-CD2 4.34Å; L35-F125 PolarHBondContact N-O 3.46Å; G110-F125 CarbonylContact O-C 3.48Å; G110-F125 WeakPolarHBondContact O-CA 3.42Å; R111-F125 HydrophobicContact CB-CD1 4.05Å; R111-F125 HydrophobicContact CB-CE1 3.78Å; R111-F125 HydrophobicContact CG-CE1 4.14Å; F125-L127 HydrophobicContact CB-CD2 4.34Å; F125-L179 HydrophobicContact CB-CD2 4.18Å; F125-L179 HydrophobicContact CD2-CD2 3.8Å; F125-L179 HydrophobicContact CE2-CD2 4.25Å; F125-L179 HydrophobicContact CG-CD2 3.92Å; F125-L179 HydrophobicContact CG-CG 4.49Å; F125-N180 WeakPolarHBondContact CZ-OD1 3.18Å; F125-F183 HydrophobicContact CB-CE2 4.38Å; F125-F183 AromaticContact CD1-CD2 3.4Å; F125-F183 HydrophobicContact CD1-CD2 3.4Å; F125-F183 AromaticContact CD1-CE2 3.56Å; F125-F183 HydrophobicContact CD1-CE2 3.56Å; F125-F183 HydrophobicContact CD1-CG 4.33Å; F125-F183 HydrophobicContact CE1-CB 4.37Å; F125-F183 AromaticContact CE1-CD2 3.53Å; F125-F183 HydrophobicContact CE1-CD2 3.53Å; F125-F183 HydrophobicContact CE1-CE2 4.19Å; F125-F183 HydrophobicContact CE1-CG 4.26Å; F125-F183 HydrophobicContact CG-CD2 4.41Å; F125-F183 HydrophobicContact CG-CE2 4.28Å
126L98.3Very high96.4Very high0 Ų036 Ų360%020%0.197CC..EExtended strand (participates in β ladder)trans-109.3124.1169.2-16666.6000109L35 R37 W85 A107 V109 G110 Y112 F124L35-L126 HydrophobicContact CB-CD1 3.91Å; L35-L126 CarbonylContact O-C 3.6Å; L35-L126 WeakPolarHBondContact O-CA 3.44Å; R37-L126 HydrophobicContact CB-CD1 4.25Å; R37-L126 HydrophobicContact CB-CD2 4.01Å; R37-L126 HydrophobicContact CB-CG 4.03Å; W85-L126 HydrophobicContact CH2-CD2 4.15Å; W85-L126 HydrophobicContact CZ2-CD2 3.72Å; A107-L126 HydrophobicContact CB-CD2 3.91Å; V109-L126 CarbonylContact C-O 3.56Å; V109-L126 VanDerWaalsContact CA-O 3.31Å; V109-L126 WeakPolarHBondContact CA-O 3.44Å; V109-L126 WeakPolarHBondContact CB-O 3.5Å; G110-L126 PolarHBondContact N-O 3.49Å; G110-L126 PolarHBondContact O-N 3.44Å; Y112-L126 HydrophobicContact CD2-CB 3.98Å; Y112-L126 HydrophobicContact CE2-CB 3.73Å; Y112-L126 HydrophobicContact CE2-CD2 4.07Å; F124-L126 HydrophobicContact CE2-CB 4.16Å; F124-L126 HydrophobicContact CE2-CD1 4.49Å
127L98.8Very high96.6Very high0 Ų036 Ų360%020%0.197CC..EExtended strand (participates in β ladder)trans-107168.2-177.5-51.1-170.8000111.3T25 Y28 V34 L35 R36 R37 F125 L179 F183 V270T25-L127 HydrophobicContact CG2-CD1 4.27Å; Y28-L127 HydrophobicContact CE2-CD1 4.01Å; Y28-L127 VanDerWaalsContact OH-CD1 3.27Å; Y28-L127 WeakPolarHBondContact OH-CD1 3.25Å; V34-L127 HydrophobicContact CG1-CD1 3.56Å; V34-L127 HydrophobicContact CG1-CD2 4.2Å; V34-L127 HydrophobicContact CG1-CG 3.78Å; L35-L127 WeakPolarHBondContact O-CB 3.46Å; L35-L127 WeakPolarHBondContact O-CG 3.26Å; L35-L127 PolarHBondContact O-N 2.75Å; R36-L127 HydrophobicContact CG-CB 4.33Å; R37-L127 PolarHBondContact N-O 2.88Å; F125-L127 HydrophobicContact CB-CD2 4.34Å; L127-L179 HydrophobicContact CD2-CD1 3.94Å; L127-F183 HydrophobicContact CD2-CE2 3.59Å; L127-F183 HydrophobicContact CD2-CZ 3.67Å; L127-V270 WeakPolarHBondContact CB-O 3.31Å
128F98.9Very high96.9Very high0 Ų036.8 Ų36.80%020%0.198CC..  trans-61.6153162.5-71.8-78.1000111.2R36 R37 V109 P130 V137 P197 V200 V270 I272R36-F128 PolarHBondContact NH1-O 2.82Å; R37-F128 VanDerWaalsContact CZ-CE1 3.49Å; R37-F128 VanDerWaalsContact NH2-CD1 3.27Å; V109-F128 HydrophobicContact CB-CD2 4.47Å; V109-F128 HydrophobicContact CB-CE2 4.3Å; V109-F128 HydrophobicContact CG1-CD1 4.07Å; V109-F128 HydrophobicContact CG1-CD2 3.85Å; V109-F128 HydrophobicContact CG1-CE1 4.1Å; V109-F128 HydrophobicContact CG1-CE2 3.9Å; V109-F128 HydrophobicContact CG1-CG 3.93Å; V109-F128 HydrophobicContact CG1-CZ 4.01Å; V109-F128 HydrophobicContact CG2-CD2 4.1Å; V109-F128 HydrophobicContact CG2-CE2 3.52Å; V109-F128 HydrophobicContact CG2-CZ 3.89Å; F128-P130 WeakPolarHBondContact O-CD 3.41Å; F128-V137 HydrophobicContact CB-CG1 4.45Å; F128-V137 HydrophobicContact CB-CG2 3.74Å; F128-V137 HydrophobicContact CD1-CG1 4.08Å; F128-V137 HydrophobicContact CD1-CG2 4.44Å; F128-V137 HydrophobicContact CG-CG1 4.4Å; F128-V137 HydrophobicContact CG-CG2 4.47Å; F128-P197 HydrophobicContact CD1-CB 4.36Å; F128-P197 HydrophobicContact CE1-CB 3.84Å; F128-P197 HydrophobicContact CE1-CG 4.36Å; F128-P197 HydrophobicContact CZ-CB 4.07Å; F128-V200 HydrophobicContact CE2-CB 4.12Å; F128-V200 HydrophobicContact CE2-CG1 3.95Å; F128-V200 HydrophobicContact CE2-CG2 4.26Å; F128-V200 HydrophobicContact CZ-CB 4.16Å; F128-V200 HydrophobicContact CZ-CG1 4.49Å; F128-V200 HydrophobicContact CZ-CG2 4.07Å; F128-V270 HydrophobicContact CD2-CG2 4.35Å; F128-V270 WeakPolarHBondContact CD2-O 3.48Å; F128-V270 PolarHBondContact N-O 3Å; F128-I272 HydrophobicContact CB-CG1 4.42Å; F128-I272 HydrophobicContact CD2-CD1 3.96Å; F128-I272 HydrophobicContact CD2-CG1 3.56Å; F128-I272 HydrophobicContact CE2-CD1 3.82Å; F128-I272 HydrophobicContact CE2-CG1 3.96Å; F128-I272 HydrophobicContact CG-CG1 4Å; F128-I272 HydrophobicContact CZ-CD1 4.48Å
129N98.9Very high97.3Very high2 Ų228.1 Ų28.11%0.01116%0.158CC..  trans-123.491.9-173.8-162-6.3000114.8R36 R37 W131 C132 D135R36-N129 HydrophobicContact CB-CB 3.73Å; R37-N129 HydrophobicContact CG-CB 4.31Å; R37-N129 WeakPolarHBondContact O-CB 3.4Å; R37-N129 PolarHBondContact O-ND2 2.85Å; N129-W131 PolarHBondContact O-N 2.7Å; N129-W131 VanDerWaalsContact O-N 3.12Å; N129-W131 WeakPolarHBondContact OD1-CB 3.32Å; N129-W131 PolarHBondContact OD1-N 3.26Å; N129-W131 VanDerWaalsContact OD1-N 3.08Å; N129-C132 HydrophobicContact CB-CB 3.91Å; N129-C132 PolarHBondContact O-N 2.75Å; N129-D135 WeakPolarHBondContact CA-OD2 3.36Å; N129-D135 HydrophobicContact CB-CB 4.43Å; N129-D135 WeakPolarHBondContact CB-OD2 3.37Å; N129-D135 PolarHBondContact N-OD2 2.79Å; N129-D135 VanDerWaalsContact O-CB 3.31Å; N129-D135 WeakPolarHBondContact O-CB 3.22Å
130P98.8Very high97.4Very high0 Ų028.4 Ų28.40%017%0.172CC..THydrogen-bonded Turntrans-62.7-14.8174.2-26.236.9000115.6F128 V137 F138 M139 R145 V149 G271 P273F128-P130 WeakPolarHBondContact O-CD 3.41Å; P130-V137 HydrophobicContact CG-CG2 4.1Å; P130-F138 VanDerWaalsContact O-CD2 3.27Å; P130-F138 WeakPolarHBondContact O-CD2 3.1Å; P130-M139 PolarHBondContact O-N 3.14Å; P130-R145 HydrophobicContact CB-CG 4.26Å; P130-V149 HydrophobicContact CB-CG2 4.15Å; P130-V149 HydrophobicContact CG-CG1 4.42Å; P130-V149 HydrophobicContact CG-CG2 3.81Å; P130-G271 WeakPolarHBondContact CD-O 3.32Å; P130-G271 WeakPolarHBondContact CG-O 3.3Å; P130-P273 HydrophobicContact CB-CG 3.98Å; P130-P273 HydrophobicContact CG-CG 3.8Å
131W98.8Very high97.6Very high40 Ų4025 Ų2515%0.15216%0.157CC..THydrogen-bonded Turntrans-91.8-12.9178.5-69.1-97.8000113.3H24 R36 N129 E142 R145 V149 L150H24-W131 HydrophobicContact CB-CH2 3.99Å; H24-W131 HydrophobicContact CB-CZ2 3.99Å; H24-W131 HydrophobicContact CB-CZ3 4.38Å; H24-W131 AromaticContact CE1-CD1 3.7Å; H24-W131 AromaticContact CE1-CE2 3.83Å; H24-W131 AromaticContact CE1-NE1 3.54Å; H24-W131 AromaticContact CG-CE2 3.82Å; H24-W131 AromaticContact CG-CZ2 3.82Å; H24-W131 AromaticContact ND1-CD2 3.73Å; H24-W131 AromaticContact ND1-CE2 3.62Å; H24-W131 AromaticContact ND1-NE1 3.82Å; H24-W131 AromaticContact NE2-NE1 3.77Å; R36-W131 VanDerWaalsContact CZ-CZ3 3.5Å; N129-W131 PolarHBondContact O-N 2.7Å; N129-W131 VanDerWaalsContact O-N 3.12Å; N129-W131 WeakPolarHBondContact OD1-CB 3.32Å; N129-W131 PolarHBondContact OD1-N 3.26Å; N129-W131 VanDerWaalsContact OD1-N 3.08Å; W131-E142 PolarHBondContact NE1-OE2 3.17Å; W131-R145 HydrophobicContact CZ2-CB 4Å; W131-V149 HydrophobicContact CH2-CB 4.28Å; W131-V149 HydrophobicContact CH2-CG1 4Å; W131-V149 HydrophobicContact CZ3-CG1 4.13Å; W131-L150 HydrophobicContact CH2-CD1 4.25Å; W131-L150 HydrophobicContact CH2-CD2 3.87Å; W131-L150 HydrophobicContact CH2-CG 4Å; W131-L150 HydrophobicContact CZ2-CD1 3.94Å; W131-L150 HydrophobicContact CZ2-CD2 4.38Å; W131-L150 HydrophobicContact CZ2-CG 4.18Å
132C98.4Very high97.8Very high17 Ų1729.1 Ų29.112%0.11517%0.174CC..  trans-94.9118-178.71790000110.5N129 D134 D135 F138N129-C132 HydrophobicContact CB-CB 3.91Å; N129-C132 PolarHBondContact O-N 2.75Å; C132-D134 PolarHBondContact O-N 2.7Å; C132-D134 VanDerWaalsContact O-N 3.15Å; C132-D135 HydrophobicContact CB-CB 4.05Å; C132-D135 WeakPolarHBondContact O-CB 3.33Å; C132-D135 PolarHBondContact O-N 3.07Å; C132-F138 VanDerWaalsContact C-CD2 3.41Å; C132-F138 VanDerWaalsContact O-CB 3.29Å; C132-F138 WeakPolarHBondContact O-CB 3.49Å; C132-F138 WeakPolarHBondContact O-CD2 3.35Å
133S97.7Very high98.1Very high70 Ų7034.1 Ų34.149%0.4919%0.191SC..THydrogen-bonded Turntrans-58.7-27.5-178.454.70000114.4K323S133-K323 PolarHBondContact O-NZ 2.55Å
134D97.2Very high98.3Very high126 Ų12634.4 Ų34.467%0.67419%0.191SC*.THydrogen-bonded Turntrans-83.9-15.3-179.6-62.4-16.7000112.2A105 C132A105-D134 HydrophobicContact CB-CB 3.66Å; C132-D134 PolarHBondContact O-N 2.7Å; C132-D134 VanDerWaalsContact O-N 3.15Å
135D98.6Very high98.4Very high0 Ų035.1 Ų35.10%019%0.194CC..SBendtrans-73.5144.8175.5-161.8-43.3000110.4R37 N129 C132 V137 F138R37-D135 VanDerWaalsContact CG-OD2 3.28Å; R37-D135 WeakPolarHBondContact CG-OD2 3.44Å; R37-D135 IonicContact CZ-OD1 3.67Å; R37-D135 IonicContact CZ-OD2 2.77Å; R37-D135 IonicContact NE-OD1 3.93Å; R37-D135 IonicContact NE-OD2 2.69Å; R37-D135 PolarHBondContact NE-OD2 2.65Å; R37-D135 IonicContact NH2-OD1 4Å; R37-D135 PolarHBondContact NH2-OD1 2.94Å; R37-D135 IonicContact NH2-OD2 3.51Å; N129-D135 WeakPolarHBondContact CA-OD2 3.36Å; N129-D135 HydrophobicContact CB-CB 4.43Å; N129-D135 WeakPolarHBondContact CB-OD2 3.37Å; N129-D135 PolarHBondContact N-OD2 2.79Å; N129-D135 VanDerWaalsContact O-CB 3.31Å; N129-D135 WeakPolarHBondContact O-CB 3.22Å; C132-D135 HydrophobicContact CB-CB 4.05Å; C132-D135 WeakPolarHBondContact O-CB 3.33Å; C132-D135 PolarHBondContact O-N 3.07Å; D135-V137 PolarHBondContact O-N 3.08Å; D135-V137 WeakPolarHBondContact OD1-CG2 3.36Å; D135-V137 PolarHBondContact OD1-N 3.16Å; D135-F138 WeakPolarHBondContact O-CB 3.25Å; D135-F138 PolarHBondContact O-N 3.02Å
136S98.3Very high98.4Very high14 Ų1437.2 Ų37.210%0.09821%0.212CC..THydrogen-bonded Turntrans-68.6-15.2175.547.60000113.6R37 P197 M322 K323R37-S136 PolarHBondContact NH2-OG 3.13Å; S136-P197 VanDerWaalsContact OG-CD 3.26Å; S136-P197 WeakPolarHBondContact OG-CD 3.39Å; S136-P197 VanDerWaalsContact OG-CG 3.28Å; S136-P197 WeakPolarHBondContact OG-CG 3.47Å; S136-M322 CarbonylContact O-C 3.55Å; S136-M322 WeakPolarHBondContact O-CA 3.36Å; S136-K323 PolarHBondContact O-N 3.27Å
137V98.8Very high98.5Very high0 Ų037.6 Ų37.60%021%0.213CC..THydrogen-bonded Turntrans-100.512.7173.5-55.30000114.1F128 P130 D135 M139 P197 I272 M322F128-V137 HydrophobicContact CB-CG1 4.45Å; F128-V137 HydrophobicContact CB-CG2 3.74Å; F128-V137 HydrophobicContact CD1-CG1 4.08Å; F128-V137 HydrophobicContact CD1-CG2 4.44Å; F128-V137 HydrophobicContact CG-CG1 4.4Å; F128-V137 HydrophobicContact CG-CG2 4.47Å; P130-V137 HydrophobicContact CG-CG2 4.1Å; D135-V137 PolarHBondContact O-N 3.08Å; D135-V137 WeakPolarHBondContact OD1-CG2 3.36Å; D135-V137 PolarHBondContact OD1-N 3.16Å; V137-M139 PolarHBondContact O-N 3.04Å; V137-P197 HydrophobicContact CG1-CB 3.62Å; V137-P197 HydrophobicContact CG1-CG 4.01Å; V137-I272 HydrophobicContact CG1-CG1 4.28Å; V137-M322 HydrophobicContact CG1-CB 4.4Å
138F98.8Very high98.5Very high59 Ų5938 Ų3826%0.25922%0.215SC..  trans-53.9127.8179.8-179.4-119.2000112.1P130 C132 D135 A140 W321P130-F138 VanDerWaalsContact O-CD2 3.27Å; P130-F138 WeakPolarHBondContact O-CD2 3.1Å; C132-F138 VanDerWaalsContact C-CD2 3.41Å; C132-F138 VanDerWaalsContact O-CB 3.29Å; C132-F138 WeakPolarHBondContact O-CB 3.49Å; C132-F138 WeakPolarHBondContact O-CD2 3.35Å; D135-F138 WeakPolarHBondContact O-CB 3.25Å; D135-F138 PolarHBondContact O-N 3.02Å; F138-A140 HydrophobicContact CE1-CB 3.8Å; F138-A140 HydrophobicContact CZ-CB 3.91Å; F138-W321 PolarHBondContact O-NE1 2.94Å
139M98.4Very high98.4Very high4 Ų438 Ų382%0.0222%0.215CC..  trans-129.6107.8178.1171.9175-82.300107.5P130 V137 S141 D144 R145 Y148 P273 W321 W334P130-M139 PolarHBondContact O-N 3.14Å; V137-M139 PolarHBondContact O-N 3.04Å; M139-S141 PolarHBondContact O-N 3.4Å; M139-D144 HydrophobicContact CG-CB 3.85Å; M139-D144 HydrophobicContact SD-CB 3.5Å; M139-D144 VanDerWaalsContact SD-CB 3.5Å; M139-R145 HydrophobicContact CB-CG 4.18Å; M139-R145 HydrophobicContact CG-CG 4.16Å; M139-R145 WeakPolarHBondContact O-CD 3.44Å; M139-R145 WeakPolarHBondContact O-CG 3.26Å; M139-R145 PolarHBondContact O-NH1 3.1Å; M139-R145 HydrophobicContact SD-CG 4.4Å; M139-Y148 HydrophobicContact CE-CD2 3.81Å; M139-Y148 HydrophobicContact SD-CD2 3.84Å; M139-P273 HydrophobicContact CB-CG 4.35Å; M139-P273 HydrophobicContact CE-CB 3.53Å; M139-P273 HydrophobicContact CE-CG 4.08Å; M139-P273 HydrophobicContact SD-CB 3.86Å; M139-P273 HydrophobicContact SD-CG 4.19Å; M139-W321 HydrophobicContact CE-CB 3.67Å; M139-W321 HydrophobicContact CE-CD2 3.83Å; M139-W321 HydrophobicContact CE-CE3 4.26Å; M139-W321 HydrophobicContact CE-CG 3.56Å; M139-W334 HydrophobicContact CE-CH2 3.96Å; M139-W334 HydrophobicContact CE-CZ2 4.05Å
140A97.9Very high98.4Very high71 Ų7140.8 Ų40.859%0.58723%0.23SC*.  trans-66.4-35.2-163.900000115.1F138 R145F138-A140 HydrophobicContact CE1-CB 3.8Å; F138-A140 HydrophobicContact CZ-CB 3.91Å; A140-R145 VanDerWaalsContact C-NH1 3.34Å; A140-R145 VanDerWaalsContact O-CZ 3.29Å; A140-R145 PolarHBondContact O-NH1 3.12Å; A140-R145 PolarHBondContact O-NH2 3.14Å
141S98.4Very high98.3Very high35 Ų3542.6 Ų42.625%0.24524%0.24CC..  trans-72.4129.5-176.6163.70000111.5M139 E143 D144 R145M139-S141 PolarHBondContact O-N 3.4Å; S141-E143 PolarHBondContact OG-N 2.79Å; S141-E143 PolarHBondContact OG-OE2 3.5Å; S141-D144 WeakPolarHBondContact CB-OD2 3.35Å; S141-D144 VanDerWaalsContact OG-CG 3.28Å; S141-D144 PolarHBondContact OG-N 2.85Å; S141-R145 WeakPolarHBondContact O-CG 3.31Å; S141-R145 PolarHBondContact O-N 2.99Å
142E98.2Very high98.1Very high101 Ų10142.6 Ų42.647%0.47224%0.242SC..Hα-helixtrans-68.5-38.1175.1-74.8-64.2166.600111.2W131 D144 R145 A146W131-E142 PolarHBondContact NE1-OE2 3.17Å; E142-D144 VanDerWaalsContact C-N 3.32Å; E142-D144 PolarHBondContact O-N 2.88Å; E142-R145 PolarHBondContact O-N 2.82Å; E142-R145 IonicContact OE1-CZ 3.4Å; E142-R145 IonicContact OE1-NE 3.83Å; E142-R145 IonicContact OE1-NH2 2.76Å; E142-R145 PolarHBondContact OE1-NH2 2.96Å; E142-R145 IonicContact OE2-CZ 3.91Å; E142-R145 IonicContact OE2-NE 3.2Å; E142-R145 PolarHBondContact OE2-NE 2.59Å; E142-R145 VanDerWaalsContact OE2-NE 3.16Å; E142-R145 IonicContact OE2-NH2 3.66Å; E142-R145 PolarHBondContact OE2-NH2 2.99Å; E142-A146 WeakPolarHBondContact O-CB 3.18Å; E142-A146 PolarHBondContact O-N 2.99Å
143E98.3Very high97.8Very high127 Ų12744 Ų4459%0.59325%0.251SS*.Hα-helixtrans-63.3-41.6178-61.877.6-170.600110.8S141 A146 E147 V414S141-E143 PolarHBondContact OG-N 2.79Å; S141-E143 PolarHBondContact OG-OE2 3.5Å; E143-A146 WeakPolarHBondContact O-CB 3.36Å; E143-A146 PolarHBondContact O-N 2.78Å; E143-E147 PolarHBondContact O-N 2.92Å; E143-V414 HydrophobicContact CB-CG1 3.77Å; E143-V414 WeakPolarHBondContact O-CG1 3.32Å
144D98.5Very high97.6Very high52 Ų5240.9 Ų40.928%0.27823%0.229SC..Hα-helixtrans-68.1-41.1176.9-68.1-11.3000111.1M139 S141 E142 A146 E147 Y148 V414M139-D144 HydrophobicContact CG-CB 3.85Å; M139-D144 HydrophobicContact SD-CB 3.5Å; M139-D144 VanDerWaalsContact SD-CB 3.5Å; S141-D144 WeakPolarHBondContact CB-OD2 3.35Å; S141-D144 VanDerWaalsContact OG-CG 3.28Å; S141-D144 PolarHBondContact OG-N 2.85Å; E142-D144 VanDerWaalsContact C-N 3.32Å; E142-D144 PolarHBondContact O-N 2.88Å; D144-A146 VanDerWaalsContact C-N 3.32Å; D144-A146 PolarHBondContact O-N 2.83Å; D144-E147 PolarHBondContact O-N 3.19Å; D144-Y148 HydrophobicContact CB-CD2 3.8Å; D144-Y148 HydrophobicContact CB-CE2 3.91Å; D144-Y148 VanDerWaalsContact O-CB 3.31Å; D144-Y148 WeakPolarHBondContact O-CB 3.3Å; D144-Y148 WeakPolarHBondContact O-CD2 3.41Å; D144-Y148 PolarHBondContact O-N 3.25Å; D144-V414 WeakPolarHBondContact OD1-CG2 3.4Å
145R98.7Very high97.4Very high16 Ų1635.5 Ų35.56%0.0620%0.2CC..Hα-helixtrans-62.5-40.6173.9-73.4-174-68.7-108.7-2.1111.4P130 W131 M139 A140 S141 E142 V149 L150P130-R145 HydrophobicContact CB-CG 4.26Å; W131-R145 HydrophobicContact CZ2-CB 4Å; M139-R145 HydrophobicContact CB-CG 4.18Å; M139-R145 HydrophobicContact CG-CG 4.16Å; M139-R145 WeakPolarHBondContact O-CD 3.44Å; M139-R145 WeakPolarHBondContact O-CG 3.26Å; M139-R145 PolarHBondContact O-NH1 3.1Å; M139-R145 HydrophobicContact SD-CG 4.4Å; A140-R145 VanDerWaalsContact C-NH1 3.34Å; A140-R145 VanDerWaalsContact O-CZ 3.29Å; A140-R145 PolarHBondContact O-NH1 3.12Å; A140-R145 PolarHBondContact O-NH2 3.14Å; S141-R145 WeakPolarHBondContact O-CG 3.31Å; S141-R145 PolarHBondContact O-N 2.99Å; E142-R145 PolarHBondContact O-N 2.82Å; E142-R145 IonicContact OE1-CZ 3.4Å; E142-R145 IonicContact OE1-NE 3.83Å; E142-R145 IonicContact OE1-NH2 2.76Å; E142-R145 PolarHBondContact OE1-NH2 2.96Å; E142-R145 IonicContact OE2-CZ 3.91Å; E142-R145 IonicContact OE2-NE 3.2Å; E142-R145 PolarHBondContact OE2-NE 2.59Å; E142-R145 VanDerWaalsContact OE2-NE 3.16Å; E142-R145 IonicContact OE2-NH2 3.66Å; E142-R145 PolarHBondContact OE2-NH2 2.99Å; R145-V149 VanDerWaalsContact O-CB 3.28Å; R145-V149 WeakPolarHBondContact O-CB 3.4Å; R145-V149 PolarHBondContact O-N 3.22Å; R145-V149 VanDerWaalsContact O-N 3.11Å; R145-L150 PolarHBondContact O-N 2.89Å
146A98.4Very high97.3Very high48 Ų4835.6 Ų35.640%0.39720%0.2SC..Iπ-helixtrans-60.4-44.7175.500000111.1E142 E143 D144 L150 N151E142-A146 WeakPolarHBondContact O-CB 3.18Å; E142-A146 PolarHBondContact O-N 2.99Å; E143-A146 WeakPolarHBondContact O-CB 3.36Å; E143-A146 PolarHBondContact O-N 2.78Å; D144-A146 VanDerWaalsContact C-N 3.32Å; D144-A146 PolarHBondContact O-N 2.83Å; A146-L150 CarbonylContact O-C 3.59Å; A146-L150 PolarHBondContact O-N 3.24Å; A146-N151 WeakPolarHBondContact O-CB 3.35Å; A146-N151 PolarHBondContact O-N 2.82Å
147E98.6Very high97.1Very high7 Ų735 Ų353%0.03320%0.195CC..Iπ-helixtrans-76.3-46.9-179.1-178.763.7-158.900113.8E143 D144 N151 R268 K412 V414 G415E143-E147 PolarHBondContact O-N 2.92Å; D144-E147 PolarHBondContact O-N 3.19Å; E147-N151 WeakPolarHBondContact O-CB 3.46Å; E147-N151 PolarHBondContact OE2-ND2 3.35Å; E147-R268 PolarHBondContact O-NH1 2.81Å; E147-R268 PolarHBondContact O-NH2 3.37Å; E147-K412 VanDerWaalsContact OE1-CD 3.29Å; E147-K412 WeakPolarHBondContact OE1-CD 3.2Å; E147-K412 WeakPolarHBondContact OE1-CE 3.31Å; E147-K412 IonicContact OE1-NZ 3.47Å; E147-K412 PolarHBondContact OE1-NZ 3.2Å; E147-K412 IonicContact OE2-NZ 3.19Å; E147-K412 PolarHBondContact OE2-NZ 3.28Å; E147-V414 HydrophobicContact CB-CB 4.42Å; E147-V414 HydrophobicContact CB-CG1 4.05Å; E147-V414 HydrophobicContact CB-CG2 4.36Å; E147-V414 HydrophobicContact CG-CG2 4.38Å; E147-G415 PolarHBondContact OE2-N 2.93Å
148Y98.8Very high96.7Very high8 Ų835.9 Ų35.93%0.03120%0.2CC..Iπ-helixtrans-94.2-6.5-166.7-55.8-46.9000113.8M139 D144 R268 P273 A274 R275 W334 V414M139-Y148 HydrophobicContact CE-CD2 3.81Å; M139-Y148 HydrophobicContact SD-CD2 3.84Å; D144-Y148 HydrophobicContact CB-CD2 3.8Å; D144-Y148 HydrophobicContact CB-CE2 3.91Å; D144-Y148 VanDerWaalsContact O-CB 3.31Å; D144-Y148 WeakPolarHBondContact O-CB 3.3Å; D144-Y148 WeakPolarHBondContact O-CD2 3.41Å; D144-Y148 PolarHBondContact O-N 3.25Å; Y148-R268 WeakPolarHBondContact O-CG 3.28Å; Y148-R268 PolarHBondContact O-NE 2.88Å; Y148-P273 WeakPolarHBondContact O-CA 3.22Å; Y148-A274 PolarHBondContact O-N 3.08Å; Y148-R275 HydrophobicContact CD1-CB 3.87Å; Y148-R275 HydrophobicContact CE1-CB 3.93Å; Y148-R275 HydrophobicContact CE1-CG 4.46Å; Y148-W334 HydrophobicContact CD1-CH2 4.21Å; Y148-W334 AromaticContact CD2-CH2 3.74Å; Y148-W334 HydrophobicContact CD2-CH2 3.74Å; Y148-W334 AromaticContact CD2-CZ2 3.82Å; Y148-W334 HydrophobicContact CD2-CZ2 3.82Å; Y148-W334 HydrophobicContact CE1-CH2 4.45Å; Y148-W334 HydrophobicContact CE2-CH2 4Å; Y148-W334 AromaticContact CE2-CZ2 3.65Å; Y148-W334 HydrophobicContact CE2-CZ2 3.65Å; Y148-W334 AromaticContact CG-CH2 3.84Å; Y148-W334 HydrophobicContact CG-CH2 3.84Å; Y148-W334 HydrophobicContact CG-CZ2 4.35Å; Y148-V414 HydrophobicContact CE1-CG2 4.36Å; Y148-V414 HydrophobicContact CE2-CG2 3.87Å; Y148-V414 WeakPolarHBondContact OH-CG2 3.34Å
149V98.8Very high96.2Very high1 Ų133.3 Ų33.31%0.00619%0.19CC..Iπ-helixtrans-125.6-51.3176.7-170.90000111.2P130 W131 R145 Q173 P273P130-V149 HydrophobicContact CB-CG2 4.15Å; P130-V149 HydrophobicContact CG-CG1 4.42Å; P130-V149 HydrophobicContact CG-CG2 3.81Å; W131-V149 HydrophobicContact CH2-CB 4.28Å; W131-V149 HydrophobicContact CH2-CG1 4Å; W131-V149 HydrophobicContact CZ3-CG1 4.13Å; R145-V149 VanDerWaalsContact O-CB 3.28Å; R145-V149 WeakPolarHBondContact O-CB 3.4Å; R145-V149 PolarHBondContact O-N 3.22Å; R145-V149 VanDerWaalsContact O-N 3.11Å; V149-Q173 PolarHBondContact O-NE2 3.12Å; V149-P273 HydrophobicContact CG2-CB 3.79Å; V149-P273 HydrophobicContact CG2-CG 3.81Å
150L98.4Very high95.6Very high61 Ų6133.6 Ų33.632%0.31919%0.192SC..Iπ-helixtrans-90-26.7-170-58.9-178.5000114.3H24 W131 R145 A146 D152 F174H24-L150 HydrophobicContact CB-CD2 4.36Å; W131-L150 HydrophobicContact CH2-CD1 4.25Å; W131-L150 HydrophobicContact CH2-CD2 3.87Å; W131-L150 HydrophobicContact CH2-CG 4Å; W131-L150 HydrophobicContact CZ2-CD1 3.94Å; W131-L150 HydrophobicContact CZ2-CD2 4.38Å; W131-L150 HydrophobicContact CZ2-CG 4.18Å; R145-L150 PolarHBondContact O-N 2.89Å; A146-L150 CarbonylContact O-C 3.59Å; A146-L150 PolarHBondContact O-N 3.24Å; L150-D152 PolarHBondContact O-N 3.11Å; L150-F174 HydrophobicContact CD2-CZ 4.29Å; L150-F174 VanDerWaalsContact O-CE2 3.28Å; L150-F174 WeakPolarHBondContact O-CE2 3.36Å
151N96.8Very high95Very high38 Ų3830.6 Ų30.620%0.20317%0.167CC..  trans-71.8123179.3-164.2-9.9000109.7A146 E147 T153 Q173 R268A146-N151 WeakPolarHBondContact O-CB 3.35Å; A146-N151 PolarHBondContact O-N 2.82Å; E147-N151 WeakPolarHBondContact O-CB 3.46Å; E147-N151 PolarHBondContact OE2-ND2 3.35Å; N151-T153 VanDerWaalsContact CG-O 3.29Å; N151-T153 PolarHBondContact OD1-N 3.09Å; N151-T153 PolarHBondContact OD1-O 2.67Å; N151-T153 VanDerWaalsContact OD1-O 3.08Å; N151-T153 PolarHBondContact OD1-OG1 2.93Å; N151-T153 VanDerWaalsContact OD1-OG1 3.14Å; N151-Q173 PolarHBondContact O-NE2 2.9Å; N151-R268 PolarHBondContact O-NH1 3.1Å
152D94.4Very high94.4Very high39 Ų3935.5 Ų35.521%0.20918%0.183CC..  trans-101.15.6-177.766.9-10.4000113.3L150 F171 G172 Q173 F174L150-D152 PolarHBondContact O-N 3.11Å; D152-F171 PolarHBondContact O-N 3.35Å; D152-G172 PolarHBondContact O-N 2.88Å; D152-Q173 VanDerWaalsContact CA-OE1 3.27Å; D152-F174 HydrophobicContact CB-CD2 4.17Å; D152-F174 HydrophobicContact CB-CE2 4.33Å
153T92.3Very high93.7Very high48 Ų4833.6 Ų33.629%0.29418%0.175SC..EExtended strand (participates in β ladder)trans-125.1158.4170.462.60000110.4N151 W169 L610N151-T153 VanDerWaalsContact CG-O 3.29Å; N151-T153 PolarHBondContact OD1-N 3.09Å; N151-T153 PolarHBondContact OD1-O 2.67Å; N151-T153 VanDerWaalsContact OD1-O 3.08Å; N151-T153 PolarHBondContact OD1-OG1 2.93Å; N151-T153 VanDerWaalsContact OD1-OG1 3.14Å; T153-W169 CarbonylContact C-O 3.04Å; T153-W169 WeakPolarHBondContact CA-O 3.4Å; T153-L610 HydrophobicContact CG2-CD1 3.34Å; T153-L610 HydrophobicContact CG2-CG 4.26Å
154G93.4Very high93.3Very high3 Ų329.8 Ų29.83%0.03116%0.158CC..EExtended strand (participates in β ladder)trans-164.5-172.8179.800000112.9W169G154-W169 PolarHBondContact N-O 2.95Å; G154-W169 PolarHBondContact O-N 3.4Å
155Y93.1Very high92.8Very high14 Ų1429.8 Ų29.86%0.05516%0.155CC..EExtended strand (participates in β ladder)trans-134.9140.5176.7-74.6-104.1000108.8E166 K167 P168 K412 N417 K644 E660Y155-E166 HydrophobicContact CD1-CB 4.04Å; Y155-E166 HydrophobicContact CE1-CB 4.4Å; Y155-K167 CarbonylContact C-O 3.6Å; Y155-K167 WeakPolarHBondContact CA-O 3.45Å; Y155-P168 HydrophobicContact CD1-CB 4.35Å; Y155-P168 HydrophobicContact CE1-CB 4.21Å; Y155-K412 HydrophobicContact CD2-CD 4.01Å; Y155-N417 HydrophobicContact CD2-CB 4.26Å; Y155-N417 HydrophobicContact CE2-CB 3.45Å; Y155-N417 VanDerWaalsContact CE2-CB 3.45Å; Y155-N417 WeakPolarHBondContact CE2-OD1 3.33Å; Y155-K644 PolarHBondContact OH-NZ 2.86Å; Y155-E660 PolarHBondContact OH-OE2 2.94Å
156M95.4Very high92.4Very high1 Ų132.6 Ų32.61%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-111.1157.4165.4-63.5165.9-17000107.8K167 W169 F171 W257M156-K167 HydrophobicContact CB-CB 4.48Å; M156-K167 PolarHBondContact N-O 3.45Å; M156-K167 PolarHBondContact O-N 3.1Å; M156-W169 HydrophobicContact CE-CB 3.97Å; M156-W169 HydrophobicContact CE-CD2 3.75Å; M156-W169 HydrophobicContact CE-CE3 4.31Å; M156-W169 HydrophobicContact CE-CG 3.56Å; M156-W169 HydrophobicContact SD-CB 4.47Å; M156-W169 HydrophobicContact SD-CD2 4.35Å; M156-W169 HydrophobicContact SD-CE3 4.34Å; M156-W169 HydrophobicContact SD-CG 4.41Å; M156-F171 HydrophobicContact CE-CE1 4.18Å; M156-W257 WeakPolarHBondContact CE-O 3.41Å; M156-W257 HydrophobicContact SD-CB 3.8Å; M156-W257 VanDerWaalsContact SD-O 3.34Å
157Y94.7Very high91.9Very high1 Ų130.3 Ų30.30%0.00415%0.15CC..EExtended strand (participates in β ladder)trans-112.4135.7179.1-58.4-79.9000108.2I164 K165 E166 T278 T411 R418 R419Y157-I164 HydrophobicContact CD1-CG2 3.8Å; Y157-I164 HydrophobicContact CG-CG2 4.17Å; Y157-K165 CarbonylContact C-O 3.53Å; Y157-K165 WeakPolarHBondContact CA-O 3.19Å; Y157-E166 HydrophobicContact CD1-CG 4.18Å; Y157-E166 HydrophobicContact CE1-CG 3.92Å; Y157-T278 PolarHBondContact N-OG1 3.03Å; Y157-T278 WeakPolarHBondContact O-CB 3.03Å; Y157-T278 WeakPolarHBondContact O-CG2 3.5Å; Y157-T278 PolarHBondContact O-OG1 3.04Å; Y157-T411 VanDerWaalsContact CE2-C 3.43Å; Y157-T411 WeakPolarHBondContact CE2-O 3.44Å; Y157-R418 PolarHBondContact OH-O 3.24Å; Y157-R419 HydrophobicContact CD1-CB 4.1Å; Y157-R419 HydrophobicContact CD1-CG 4.09Å; Y157-R419 HydrophobicContact CE1-CB 3.49Å; Y157-R419 VanDerWaalsContact CE1-CB 3.49Å; Y157-R419 HydrophobicContact CE1-CG 3.93Å; Y157-R419 HydrophobicContact CE2-CB 4.47Å; Y157-R419 HydrophobicContact CE2-CG 4.38Å; Y157-R419 HydrophobicContact CG-CG 4.4Å; Y157-R419 VanDerWaalsContact CZ-CA 3.43Å; Y157-R419 WeakPolarHBondContact OH-CA 3.17Å; Y157-R419 PolarHBondContact OH-N 3.12Å; Y157-R419 VanDerWaalsContact OH-N 3.12Å
158M90.5Very high91.5Very high19 Ų1930 Ų309%0.09415%0.149CC..EExtended strand (participates in β ladder)trans-137.2-178.4-176.5-66.3178.869.600109.5K165 K167 W257 F314M158-K165 PolarHBondContact N-O 2.81Å; M158-K165 PolarHBondContact O-N 3.21Å; M158-K167 HydrophobicContact CG-CB 4.44Å; M158-K167 HydrophobicContact SD-CB 3.92Å; M158-K167 HydrophobicContact SD-CD 3.22Å; M158-K167 WeakPolarHBondContact SD-CD 3.48Å; M158-K167 HydrophobicContact SD-CG 4.19Å; M158-W257 HydrophobicContact CE-CD2 3.68Å; M158-W257 HydrophobicContact CE-CE3 3.57Å; M158-W257 HydrophobicContact CE-CG 4.36Å; M158-W257 HydrophobicContact CE-CH2 3.77Å; M158-W257 HydrophobicContact CE-CZ2 3.97Å; M158-W257 HydrophobicContact CE-CZ3 3.59Å; M158-W257 HydrophobicContact SD-CD2 4.16Å; M158-W257 HydrophobicContact SD-CE3 4.46Å; M158-W257 HydrophobicContact SD-CG 4.21Å; M158-F314 HydrophobicContact CB-CD2 4.48Å; M158-F314 HydrophobicContact CB-CE1 4.2Å; M158-F314 HydrophobicContact CB-CE2 4.12Å; M158-F314 HydrophobicContact CB-CZ 4Å; M158-F314 HydrophobicContact CE-CE1 4.25Å; M158-F314 HydrophobicContact CE-CE2 3.91Å; M158-F314 HydrophobicContact CE-CZ 3.37Å; M158-F314 HydrophobicContact CG-CD2 4.24Å; M158-F314 HydrophobicContact CG-CE2 3.68Å; M158-F314 HydrophobicContact CG-CZ 3.88Å; M158-F314 HydrophobicContact SD-CE2 4.48Å; M158-F314 HydrophobicContact SD-CZ 4.4Å
159G87.6Confident91.2Very high6 Ų629.8 Ų29.86%0.06215%0.148CC..EExtended strand (participates in β ladder)trans88.1-123.8-175.900000110.4F314G159-F314 WeakPolarHBondContact O-CD1 3.49Å
160F85.6Confident90.9Very high10 Ų1030.2 Ų30.24%0.04415%0.151CC..EExtended strand (participates in β ladder)trans-142.5156.4-164.7-48.3-101.9000109.5K162 Q163 I164 F280 N313 V543 T564 C566F160-K162 PolarHBondContact O-N 2.91Å; F160-Q163 PolarHBondContact N-O 2.93Å; F160-Q163 VanDerWaalsContact N-O 3.1Å; F160-Q163 CarbonylContact O-C 3.57Å; F160-Q163 PolarHBondContact O-N 2.88Å; F160-Q163 VanDerWaalsContact O-O 3.09Å; F160-I164 WeakPolarHBondContact O-CG1 3.49Å; F160-I164 PolarHBondContact O-N 3.24Å; F160-F280 VanDerWaalsContact C-CD1 3.41Å; F160-N313 HydrophobicContact CD1-CB 3.7Å; F160-N313 HydrophobicContact CE1-CB 3.78Å; F160-N313 WeakPolarHBondContact CE1-ND2 3.31Å; F160-V543 HydrophobicContact CE1-CB 4.02Å; F160-V543 HydrophobicContact CE1-CG1 3.65Å; F160-V543 HydrophobicContact CZ-CB 4.08Å; F160-V543 HydrophobicContact CZ-CG1 3.37Å; F160-T564 HydrophobicContact CD1-CG2 3.74Å; F160-T564 HydrophobicContact CE1-CG2 3.52Å; F160-C566 HydrophobicContact CD1-CB 4.49Å; F160-C566 HydrophobicContact CD2-CB 3.29Å; F160-C566 HydrophobicContact CE1-CB 4.17Å; F160-C566 HydrophobicContact CE2-CB 3.01Å; F160-C566 HydrophobicContact CG-CB 4.1Å; F160-C566 HydrophobicContact CZ-CB 3.48Å; F160-C566 VanDerWaalsContact CZ-CB 3.48Å
161A86.9Confident90.8Very high8 Ų827.5 Ų27.57%0.06614%0.136CC..THydrogen-bonded Turntrans-51.4-41-176.800000112.6F280 E281 K407 N408A161-F280 HydrophobicContact CB-CB 3.75Å; A161-F280 HydrophobicContact CB-CG 4.39Å; A161-E281 HydrophobicContact CB-CG 4.42Å; A161-K407 HydrophobicContact CB-CB 3.79Å; A161-K407 HydrophobicContact CB-CD 4.04Å; A161-N408 PolarHBondContact O-ND2 2.94Å
162K84.8Confident90.7Very high137 Ų13725.7 Ų25.760%0.59613%0.127SC*.THydrogen-bonded Turntrans-87.8-9.1-178-60.9179.5-175.6179.80114.1F160 N463F160-K162 PolarHBondContact O-N 2.91Å; K162-N463 HydrophobicContact CB-CB 4.07Å; K162-N463 HydrophobicContact CD-CB 3.92Å; K162-N463 WeakPolarHBondContact CD-ND2 3.36Å; K162-N463 WeakPolarHBondContact CD-OD1 3.32Å; K162-N463 WeakPolarHBondContact CE-OD1 3.47Å; K162-N463 PolarHBondContact NZ-OD1 3.05Å
163Q84.3Confident90.9Very high62 Ų6223.8 Ų23.829%0.2912%0.117SC..EExtended strand (participates in β ladder)trans-147.988.8176.7-174.5164.85.300110.7F160 C566 L568F160-Q163 PolarHBondContact N-O 2.93Å; F160-Q163 VanDerWaalsContact N-O 3.1Å; F160-Q163 CarbonylContact O-C 3.57Å; F160-Q163 PolarHBondContact O-N 2.88Å; F160-Q163 VanDerWaalsContact O-O 3.09Å; Q163-C566 PolarHBondContact OE1-SG 3.18Å; Q163-L568 VanDerWaalsContact CD-CD2 3.42Å
164I90.2Very high91.1Very high47 Ų4722 Ų2224%0.24111%0.105CC..EExtended strand (participates in β ladder)trans-86.3125-176.2-61.5177.3000109Y157 F160 F280 N408 R419Y157-I164 HydrophobicContact CD1-CG2 3.8Å; Y157-I164 HydrophobicContact CG-CG2 4.17Å; F160-I164 WeakPolarHBondContact O-CG1 3.49Å; F160-I164 PolarHBondContact O-N 3.24Å; I164-F280 HydrophobicContact CB-CZ 4.21Å; I164-F280 HydrophobicContact CD1-CD2 4.27Å; I164-F280 HydrophobicContact CD1-CE2 3.67Å; I164-F280 HydrophobicContact CD1-CZ 3.99Å; I164-F280 HydrophobicContact CG1-CE1 4.14Å; I164-F280 HydrophobicContact CG1-CE2 3.86Å; I164-F280 HydrophobicContact CG1-CZ 3.64Å; I164-F280 HydrophobicContact CG2-CE2 4.37Å; I164-F280 HydrophobicContact CG2-CZ 3.79Å; I164-N408 HydrophobicContact CD1-CB 4.01Å; I164-R419 VanDerWaalsContact CD1-NE 3.29Å
165K87.7Confident91.2Very high51 Ų5123.4 Ų23.422%0.22211%0.111CC..EExtended strand (participates in β ladder)trans-98.4138.7171.7-62.8179.3-176.7175.30108.8Y157 M158 E541Y157-K165 CarbonylContact C-O 3.53Å; Y157-K165 WeakPolarHBondContact CA-O 3.19Å; M158-K165 PolarHBondContact N-O 2.81Å; M158-K165 PolarHBondContact O-N 3.21Å; K165-E541 IonicContact NZ-OE1 3.51Å; K165-E541 PolarHBondContact NZ-OE1 3.24Å
166E89.2Confident91.3Very high75 Ų7527.6 Ų27.635%0.3513%0.129SC..EExtended strand (participates in β ladder)trans-86.1137.5172.8-55.3-170.8138.200109.2Y155 Y157 H658Y155-E166 HydrophobicContact CD1-CB 4.04Å; Y155-E166 HydrophobicContact CE1-CB 4.4Å; Y157-E166 HydrophobicContact CD1-CG 4.18Å; Y157-E166 HydrophobicContact CE1-CG 3.92Å; E166-H658 PolarHBondContact O-CE1 2.98Å
167K88.6Confident91.3Very high1 Ų131.4 Ų31.40%0.00414%0.144CC..EExtended strand (participates in β ladder)trans-122.9107.9172.6178.7172.8-178.894.90108.8Y155 M156 M158 Y232 W234 E656Y155-K167 CarbonylContact C-O 3.6Å; Y155-K167 WeakPolarHBondContact CA-O 3.45Å; M156-K167 HydrophobicContact CB-CB 4.48Å; M156-K167 PolarHBondContact N-O 3.45Å; M156-K167 PolarHBondContact O-N 3.1Å; M158-K167 HydrophobicContact CG-CB 4.44Å; M158-K167 HydrophobicContact SD-CB 3.92Å; M158-K167 HydrophobicContact SD-CD 3.22Å; M158-K167 WeakPolarHBondContact SD-CD 3.48Å; M158-K167 HydrophobicContact SD-CG 4.19Å; K167-Y232 PolarHBondContact NZ-O 2.97Å; K167-W234 WeakPolarHBondContact CE-O 3.18Å; K167-W234 PolarHBondContact NZ-O 3.34Å; K167-E656 VanDerWaalsContact CD-OE1 3.31Å; K167-E656 WeakPolarHBondContact CD-OE1 3.36Å; K167-E656 WeakPolarHBondContact CE-OE1 3.3Å; K167-E656 WeakPolarHBondContact CG-OE1 3.34Å; K167-E656 IonicContact NZ-OE1 2.91Å; K167-E656 PolarHBondContact NZ-OE1 3.39Å; K167-E656 IonicContact NZ-OE2 2.92Å; K167-E656 PolarHBondContact NZ-OE2 3.12Å
168P90.1Very high91.5Very high1 Ų131.4 Ų31.41%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-66.8144.1174.132.1-39.7000111.1Y155 K644 I646 E660Y155-P168 HydrophobicContact CD1-CB 4.35Å; Y155-P168 HydrophobicContact CE1-CB 4.21Å; P168-K644 VanDerWaalsContact CB-NZ 3.31Å; P168-I646 HydrophobicContact CB-CD1 3.56Å; P168-I646 HydrophobicContact CB-CG1 4.1Å; P168-I646 HydrophobicContact CG-CB 4.44Å; P168-I646 HydrophobicContact CG-CD1 3.58Å; P168-I646 HydrophobicContact CG-CG1 3.82Å; P168-I646 HydrophobicContact CG-CG2 3.74Å; P168-E660 VanDerWaalsContact CB-OE1 3.27Å; P168-E660 WeakPolarHBondContact CB-OE1 3.3Å; P168-E660 WeakPolarHBondContact CG-OE1 3.44Å
169W92.6Very high91.9Very high2 Ų230.8 Ų30.81%0.00814%0.141CC..EExtended strand (participates in β ladder)trans-138.6139.2-179.4-167-93.4000111.6T153 G154 M156 F171 W234 A235 S236 S237 V258T153-W169 CarbonylContact C-O 3.04Å; T153-W169 WeakPolarHBondContact CA-O 3.4Å; G154-W169 PolarHBondContact N-O 2.95Å; G154-W169 PolarHBondContact O-N 3.4Å; M156-W169 HydrophobicContact CE-CB 3.97Å; M156-W169 HydrophobicContact CE-CD2 3.75Å; M156-W169 HydrophobicContact CE-CE3 4.31Å; M156-W169 HydrophobicContact CE-CG 3.56Å; M156-W169 HydrophobicContact SD-CB 4.47Å; M156-W169 HydrophobicContact SD-CD2 4.35Å; M156-W169 HydrophobicContact SD-CE3 4.34Å; M156-W169 HydrophobicContact SD-CG 4.41Å; W169-F171 AromaticContact CD1-CD1 3.53Å; W169-F171 AromaticContact CD1-CE1 3.69Å; W169-F171 AromaticContact NE1-CD1 3.98Å; W169-W234 HydrophobicContact CH2-CB 3.69Å; W169-W234 HydrophobicContact CZ3-CB 3.94Å; W169-W234 WeakPolarHBondContact CZ3-O 3.41Å; W169-A235 CarbonylContact C-O 3.56Å; W169-A235 WeakPolarHBondContact CA-O 3.43Å; W169-S236 VanDerWaalsContact CZ2-C 3.43Å; W169-S237 PolarHBondContact NE1-OG 3.48Å; W169-V258 HydrophobicContact CH2-CB 4.42Å; W169-V258 HydrophobicContact CH2-CG1 4.09Å; W169-V258 HydrophobicContact CH2-CG2 4.45Å
170T92.2Very high92.3Very high10 Ų1031.8 Ų31.86%0.06115%0.145CC..EExtended strand (participates in β ladder)trans-100.4108.9171.5-59.20000109A235 S236 S237 L610T170-A235 PolarHBondContact N-O 2.86Å; T170-S236 VanDerWaalsContact O-CA 3.24Å; T170-S236 WeakPolarHBondContact O-CA 3.35Å; T170-S236 PolarHBondContact O-OG 3.23Å; T170-S237 PolarHBondContact O-N 3.14Å; T170-L610 HydrophobicContact CG2-CD1 4.12Å; T170-L610 HydrophobicContact CG2-CD2 3.29Å; T170-L610 HydrophobicContact CG2-CG 3.62Å
171F96.9Very high92.9Very high4 Ų431.3 Ų31.32%0.01814%0.143CC..  trans-71.8-51.7173.3-61.4-64.6000110D152 M156 W169 Q173 T264 T265D152-F171 PolarHBondContact O-N 3.35Å; M156-F171 HydrophobicContact CE-CE1 4.18Å; W169-F171 AromaticContact CD1-CD1 3.53Å; W169-F171 AromaticContact CD1-CE1 3.69Å; W169-F171 AromaticContact NE1-CD1 3.98Å; F171-Q173 VanDerWaalsContact C-N 3.35Å; F171-Q173 PolarHBondContact O-N 2.99Å; F171-T264 HydrophobicContact CD1-CG2 3.88Å; F171-T264 HydrophobicContact CE1-CG2 3.48Å; F171-T264 VanDerWaalsContact CE1-CG2 3.48Å; F171-T264 HydrophobicContact CE2-CG2 4.38Å; F171-T264 HydrophobicContact CG-CG2 4.5Å; F171-T264 HydrophobicContact CZ-CG2 3.76Å; F171-T265 VanDerWaalsContact CA-OG1 3.27Å; F171-T265 WeakPolarHBondContact CA-OG1 3.43Å; F171-T265 WeakPolarHBondContact CB-OG1 3.35Å; F171-T265 WeakPolarHBondContact CD1-OG1 3.44Å; F171-T265 WeakPolarHBondContact O-CG2 3.43Å; F171-T265 PolarHBondContact O-OG1 3.27Å
172G94.6Very high93.4Very high0 Ų031 Ų310%014%0.14CC..  trans62.136.317400000114.3D152 F174 E175D152-G172 PolarHBondContact O-N 2.88Å; G172-F174 PolarHBondContact O-N 3.06Å; G172-E175 WeakPolarHBondContact O-CB 3.26Å; G172-E175 PolarHBondContact O-N 2.83Å
173Q98.1Very high93.9Very high0 Ų024.8 Ų24.80%011%0.113CC..THydrogen-bonded Turntrans-57.1-21-177.163.5-86.723.200114.5V149 N151 D152 F171 T265 R268 A269V149-Q173 PolarHBondContact O-NE2 3.12Å; N151-Q173 PolarHBondContact O-NE2 2.9Å; D152-Q173 VanDerWaalsContact CA-OE1 3.27Å; F171-Q173 VanDerWaalsContact C-N 3.35Å; F171-Q173 PolarHBondContact O-N 2.99Å; Q173-T265 HydrophobicContact CB-CG2 4.2Å; Q173-R268 HydrophobicContact CB-CB 4.29Å; Q173-R268 HydrophobicContact CG-CB 4.1Å; Q173-A269 HydrophobicContact CB-CB 3.97Å
174F97.1Very high94.3Very high11 Ų1125.8 Ų25.85%0.04811%0.114CC..THydrogen-bonded Turntrans-92.5-9.1179.7-53.4-53.9000114.1E27 Y28 Q29 L150 D152 G172E27-F174 HydrophobicContact CB-CB 4.08Å; E27-F174 HydrophobicContact CB-CD1 4.04Å; E27-F174 HydrophobicContact CB-CD2 3.76Å; E27-F174 HydrophobicContact CB-CE1 4.46Å; E27-F174 HydrophobicContact CB-CE2 4.17Å; E27-F174 HydrophobicContact CB-CG 3.68Å; E27-F174 WeakPolarHBondContact O-CB 3.41Å; Y28-F174 AromaticContact CD1-CD1 3.86Å; Y28-F174 HydrophobicContact CD1-CD1 3.86Å; Y28-F174 AromaticContact CD2-CD1 3.77Å; Y28-F174 HydrophobicContact CD2-CD1 3.77Å; Y28-F174 HydrophobicContact CD2-CE1 4.06Å; Y28-F174 AromaticContact CE1-CD1 3.83Å; Y28-F174 HydrophobicContact CE1-CD1 3.83Å; Y28-F174 HydrophobicContact CE1-CE1 4.22Å; Y28-F174 AromaticContact CE2-CD1 3.72Å; Y28-F174 HydrophobicContact CE2-CD1 3.72Å; Y28-F174 AromaticContact CE2-CE1 3.6Å; Y28-F174 HydrophobicContact CE2-CE1 3.6Å; Y28-F174 AromaticContact CG-CD1 3.84Å; Y28-F174 HydrophobicContact CG-CD1 3.84Å; Y28-F174 AromaticContact CZ-CD1 3.77Å; Y28-F174 AromaticContact CZ-CE1 3.7Å; Q29-F174 WeakPolarHBondContact CB-O 3.35Å; Q29-F174 WeakPolarHBondContact CG-O 3.41Å; Q29-F174 PolarHBondContact N-O 3.28Å; L150-F174 HydrophobicContact CD2-CZ 4.29Å; L150-F174 VanDerWaalsContact O-CE2 3.28Å; L150-F174 WeakPolarHBondContact O-CE2 3.36Å; D152-F174 HydrophobicContact CB-CD2 4.17Å; D152-F174 HydrophobicContact CB-CE2 4.33Å; G172-F174 PolarHBondContact O-N 3.06Å
175E95Very high94.5Very high32 Ų3223.8 Ų23.815%0.1510%0.104CC..SBendtrans-66.5159.6-178.1-68.2-63.6143.800111.8Q29 G172 Y177 I178 V238 K639Q29-E175 PolarHBondContact NE2-OE1 2.87Å; Q29-E175 PolarHBondContact NE2-OE2 2.96Å; G172-E175 WeakPolarHBondContact O-CB 3.26Å; G172-E175 PolarHBondContact O-N 2.83Å; E175-Y177 PolarHBondContact O-N 3.35Å; E175-I178 HydrophobicContact CB-CG1 4.05Å; E175-I178 WeakPolarHBondContact O-CG1 3.45Å; E175-I178 PolarHBondContact O-N 3.35Å; E175-V238 HydrophobicContact CB-CG1 3.95Å; E175-V238 HydrophobicContact CB-CG2 4.14Å; E175-V238 HydrophobicContact CG-CG1 4.27Å; E175-V238 HydrophobicContact CG-CG2 3.96Å; E175-K639 IonicContact OE1-NZ 2.94Å; E175-K639 PolarHBondContact OE1-NZ 2.9Å
176K94.8Very high94.8Very high102 Ų10221.5 Ų21.544%0.4439%0.094SC..THydrogen-bonded Turntrans-54139.4-175.6-167.6-176.5-174.2-171.90111.1Q29 I178 Q242Q29-K176 HydrophobicContact CB-CB 4.46Å; K176-I178 PolarHBondContact O-N 3.24Å; K176-I178 VanDerWaalsContact O-N 3.13Å; K176-Q242 PolarHBondContact O-NE2 3Å
177Y96.6Very high94.9Very high81 Ų8120.8 Ų20.832%0.31810%0.095SC..THydrogen-bonded Turntrans69-12.2179.2-52-43.6000117.3E175 N180 C181 Y245 I246E175-Y177 PolarHBondContact O-N 3.35Å; Y177-N180 PolarHBondContact O-N 3.06Å; Y177-C181 WeakPolarHBondContact O-CB 3.06Å; Y177-C181 PolarHBondContact O-N 3.46Å; Y177-Y245 HydrophobicContact CD1-CD1 4.19Å; Y177-Y245 AromaticContact CD1-CE1 3.79Å; Y177-Y245 HydrophobicContact CD1-CE1 3.79Å; Y177-Y245 HydrophobicContact CD2-CD1 4.29Å; Y177-Y245 HydrophobicContact CE1-CE1 4.46Å; Y177-Y245 AromaticContact CG-CD1 3.8Å; Y177-Y245 HydrophobicContact CG-CD1 3.8Å; Y177-Y245 AromaticContact CG-CE1 3.9Å; Y177-Y245 HydrophobicContact CG-CE1 3.9Å; Y177-I246 HydrophobicContact CD2-CD1 4.45Å; Y177-I246 HydrophobicContact CE2-CD1 4.37Å
178I98.3Very high94.9Very high0 Ų025.5 Ų25.50%012%0.117CC..Hα-helixtrans-60.8-55.6-176.9-57.1-59.9000111.5E175 K176 N180 C181 C182 V238 L241 Q242 T265 A269E175-I178 HydrophobicContact CB-CG1 4.05Å; E175-I178 WeakPolarHBondContact O-CG1 3.45Å; E175-I178 PolarHBondContact O-N 3.35Å; K176-I178 PolarHBondContact O-N 3.24Å; K176-I178 VanDerWaalsContact O-N 3.13Å; I178-N180 VanDerWaalsContact C-N 3.27Å; I178-N180 PolarHBondContact O-N 3.42Å; I178-C181 WeakPolarHBondContact O-CA 3.34Å; I178-C181 VanDerWaalsContact O-CB 3.28Å; I178-C181 WeakPolarHBondContact O-CB 3.1Å; I178-C181 PolarHBondContact O-N 2.8Å; I178-C182 PolarHBondContact O-N 2.8Å; I178-C182 PolarHBondContact O-SG 3.4Å; I178-V238 HydrophobicContact CD1-CG1 4.39Å; I178-L241 HydrophobicContact CD1-CB 3.61Å; I178-L241 HydrophobicContact CD1-CD1 4.17Å; I178-L241 HydrophobicContact CG2-CD1 4.08Å; I178-Q242 HydrophobicContact CD1-CG 4.06Å; I178-T265 HydrophobicContact CG2-CG2 3.95Å; I178-A269 HydrophobicContact CG2-CB 4.3Å
179L98.1Very high95Very high6 Ų626.5 Ų26.53%0.03112%0.122CC..Hα-helixtrans-56.8-39.4177.3-174.661.2000113.2Y28 V34 F125 L127 C181 C182 F183 A269Y28-L179 HydrophobicContact CD1-CB 4.14Å; Y28-L179 HydrophobicContact CD1-CD2 3.85Å; Y28-L179 HydrophobicContact CD1-CG 4.44Å; Y28-L179 HydrophobicContact CE1-CB 4.25Å; Y28-L179 HydrophobicContact CE1-CD1 4.08Å; Y28-L179 HydrophobicContact CE1-CD2 4Å; Y28-L179 HydrophobicContact CE1-CG 4.34Å; V34-L179 HydrophobicContact CG1-CD2 4.14Å; V34-L179 HydrophobicContact CG2-CD2 3.98Å; F125-L179 HydrophobicContact CB-CD2 4.18Å; F125-L179 HydrophobicContact CD2-CD2 3.8Å; F125-L179 HydrophobicContact CE2-CD2 4.25Å; F125-L179 HydrophobicContact CG-CD2 3.92Å; F125-L179 HydrophobicContact CG-CG 4.49Å; L127-L179 HydrophobicContact CD2-CD1 3.94Å; L179-C181 VanDerWaalsContact C-N 3.32Å; L179-C182 PolarHBondContact O-N 2.82Å; L179-F183 HydrophobicContact CD1-CD2 3.87Å; L179-F183 HydrophobicContact CD1-CE2 3.56Å; L179-F183 HydrophobicContact CG-CD2 4.1Å; L179-F183 HydrophobicContact CG-CE2 4.11Å; L179-F183 PolarHBondContact O-N 3.49Å; L179-A269 HydrophobicContact CD1-CB 4.46Å; L179-A269 VanDerWaalsContact CD1-O 3.25Å; L179-A269 WeakPolarHBondContact CD1-O 3.49Å
180N96.8Very high94.9Very high27 Ų2731 Ų3114%0.14414%0.143CC..Hα-helixtrans-68-34.9178.2-66.5-86.5000111.4F125 Y177 I178 R184 Y245F125-N180 WeakPolarHBondContact CZ-OD1 3.18Å; Y177-N180 PolarHBondContact O-N 3.06Å; I178-N180 VanDerWaalsContact C-N 3.27Å; I178-N180 PolarHBondContact O-N 3.42Å; N180-R184 WeakPolarHBondContact O-CB 3.45Å; N180-R184 PolarHBondContact O-N 3.04Å; N180-R184 VanDerWaalsContact O-N 3.11Å; N180-Y245 HydrophobicContact CB-CE2 3.85Å
181C97.4Very high94.8Very high0 Ų031.8 Ų31.80%015%0.148CC..Hα-helixtrans-63.9-51174.2-1700000110.9Y177 I178 L179 F183 R184 L185 Y245Y177-C181 WeakPolarHBondContact O-CB 3.06Å; Y177-C181 PolarHBondContact O-N 3.46Å; I178-C181 WeakPolarHBondContact O-CA 3.34Å; I178-C181 VanDerWaalsContact O-CB 3.28Å; I178-C181 WeakPolarHBondContact O-CB 3.1Å; I178-C181 PolarHBondContact O-N 2.8Å; L179-C181 VanDerWaalsContact C-N 3.32Å; C181-F183 PolarHBondContact O-N 3.35Å; C181-R184 WeakPolarHBondContact O-CB 3.2Å; C181-R184 PolarHBondContact O-N 2.85Å; C181-R184 VanDerWaalsContact O-N 3.09Å; C181-L185 WeakPolarHBondContact O-CG 3.25Å; C181-L185 PolarHBondContact O-N 2.77Å; C181-Y245 HydrophobicContact CB-CD2 3.77Å; C181-Y245 HydrophobicContact CB-CG 4.14Å
182C97.5Very high94.5Very high2 Ų239.7 Ų39.71%0.01418%0.183CC..Hα-helixtrans-55.9-50.2-179.4-58.90000112.2I178 L179 R184 L185 V270I178-C182 PolarHBondContact O-N 2.8Å; I178-C182 PolarHBondContact O-SG 3.4Å; L179-C182 PolarHBondContact O-N 2.82Å; C182-R184 VanDerWaalsContact C-N 3.33Å; C182-R184 PolarHBondContact O-N 2.95Å; C182-L185 PolarHBondContact O-N 3.13Å; C182-V270 HydrophobicContact CB-CG1 3.9Å
183F95.8Very high94.5Very high6 Ų642.9 Ų42.93%0.02620%0.198CC..Hα-helixtrans-70.2-26.2178-76.8-57.9000114.1V109 F125 L127 L179 C181 L185 L186 M194 V270V109-F183 HydrophobicContact CB-CE1 4.36Å; V109-F183 HydrophobicContact CG2-CE1 4.09Å; F125-F183 HydrophobicContact CB-CE2 4.38Å; F125-F183 AromaticContact CD1-CD2 3.4Å; F125-F183 HydrophobicContact CD1-CD2 3.4Å; F125-F183 AromaticContact CD1-CE2 3.56Å; F125-F183 HydrophobicContact CD1-CE2 3.56Å; F125-F183 HydrophobicContact CD1-CG 4.33Å; F125-F183 HydrophobicContact CE1-CB 4.37Å; F125-F183 AromaticContact CE1-CD2 3.53Å; F125-F183 HydrophobicContact CE1-CD2 3.53Å; F125-F183 HydrophobicContact CE1-CE2 4.19Å; F125-F183 HydrophobicContact CE1-CG 4.26Å; F125-F183 HydrophobicContact CG-CD2 4.41Å; F125-F183 HydrophobicContact CG-CE2 4.28Å; L127-F183 HydrophobicContact CD2-CE2 3.59Å; L127-F183 HydrophobicContact CD2-CZ 3.67Å; L179-F183 HydrophobicContact CD1-CD2 3.87Å; L179-F183 HydrophobicContact CD1-CE2 3.56Å; L179-F183 HydrophobicContact CG-CD2 4.1Å; L179-F183 HydrophobicContact CG-CE2 4.11Å; L179-F183 PolarHBondContact O-N 3.49Å; C181-F183 PolarHBondContact O-N 3.35Å; F183-L185 VanDerWaalsContact C-N 3.31Å; F183-L186 HydrophobicContact CD1-CD1 4.21Å; F183-L186 PolarHBondContact O-N 2.83Å; F183-M194 HydrophobicContact CD1-CE 4.12Å; F183-M194 HydrophobicContact CE1-CE 4.25Å; F183-V270 HydrophobicContact CE1-CG1 4.14Å; F183-V270 HydrophobicContact CE2-CG1 4.48Å; F183-V270 HydrophobicContact CZ-CB 4.41Å; F183-V270 HydrophobicContact CZ-CG1 4.1Å
184R93.8Very high94.4Very high84 Ų8443.3 Ų43.332%0.31720%0.2SC..Hα-helixtrans-66.8-36.1172.5-167.7-17095.2116.4-3.1111.7N180 C181 C182 L186 T187 R248N180-R184 WeakPolarHBondContact O-CB 3.45Å; N180-R184 PolarHBondContact O-N 3.04Å; N180-R184 VanDerWaalsContact O-N 3.11Å; C181-R184 WeakPolarHBondContact O-CB 3.2Å; C181-R184 PolarHBondContact O-N 2.85Å; C181-R184 VanDerWaalsContact O-N 3.09Å; C182-R184 VanDerWaalsContact C-N 3.33Å; C182-R184 PolarHBondContact O-N 2.95Å; R184-L186 PolarHBondContact O-N 3.04Å; R184-T187 VanDerWaalsContact O-CG2 3.24Å; R184-T187 WeakPolarHBondContact O-CG2 3.34Å; R184-T187 PolarHBondContact O-N 2.94Å; R184-T187 PolarHBondContact O-OG1 2.84Å; R184-R248 VanDerWaalsContact NH1-CD 3.34Å
185L93.4Very high94.3Very high5 Ų545.6 Ų45.63%0.02621%0.211CC..Hα-helixtrans-66.7-19.2178.1-64.5170.6000112C181 C182 F183 H188 M207 M208 V216C181-L185 WeakPolarHBondContact O-CG 3.25Å; C181-L185 PolarHBondContact O-N 2.77Å; C182-L185 PolarHBondContact O-N 3.13Å; F183-L185 VanDerWaalsContact C-N 3.31Å; L185-H188 PolarHBondContact O-CE1 3.28Å; L185-H188 PolarHBondContact O-ND1 3.39Å; L185-M207 HydrophobicContact CB-CB 4.01Å; L185-M207 HydrophobicContact CB-CG 4.13Å; L185-M207 HydrophobicContact CD1-CB 4.35Å; L185-M207 HydrophobicContact CD2-CB 4.3Å; L185-M207 HydrophobicContact CD2-CE 3.72Å; L185-M207 HydrophobicContact CG-CB 4.44Å; L185-M208 HydrophobicContact CD1-CE 3.55Å; L185-V216 HydrophobicContact CD1-CG2 3.6Å; L185-V216 HydrophobicContact CD2-CG2 4.12Å
186L94.1Very high94.5Very high2 Ų245.7 Ų45.71%0.0122%0.215CC..THydrogen-bonded Turntrans-97.15.7-178.1-64.2177000114.4F183 R184 H188 L189 M194 V200 A203 I204F183-L186 HydrophobicContact CD1-CD1 4.21Å; F183-L186 PolarHBondContact O-N 2.83Å; R184-L186 PolarHBondContact O-N 3.04Å; L186-H188 PolarHBondContact O-N 2.78Å; L186-L189 HydrophobicContact CD2-CD1 3.91Å; L186-L189 HydrophobicContact CD2-CG 4.48Å; L186-L189 PolarHBondContact O-N 2.81Å; L186-L189 VanDerWaalsContact O-N 3.08Å; L186-M194 HydrophobicContact CB-CE 4.03Å; L186-M194 HydrophobicContact CB-SD 3.84Å; L186-M194 HydrophobicContact CD1-CE 4.03Å; L186-M194 HydrophobicContact CD1-SD 4.15Å; L186-M194 HydrophobicContact CG-SD 4.47Å; L186-V200 HydrophobicContact CD1-CG1 3.73Å; L186-V200 HydrophobicContact CD2-CG1 4.43Å; L186-A203 HydrophobicContact CD2-CB 3.77Å; L186-I204 HydrophobicContact CD1-CD1 4.3Å; L186-I204 HydrophobicContact CD1-CG1 4.21Å; L186-I204 HydrophobicContact CD2-CG1 3.88Å; L186-I204 HydrophobicContact CG-CG1 4.29Å
187T90.6Very high94.6Very high60 Ų6041 Ų4137%0.36820%0.195SC..THydrogen-bonded Turntrans-65.4-10.5-176.260.90000114.6H65 R184H65-T187 WeakPolarHBondContact CE1-CG2 3.29Å; H65-T187 WeakPolarHBondContact ND1-CG2 3.43Å; R184-T187 VanDerWaalsContact O-CG2 3.24Å; R184-T187 WeakPolarHBondContact O-CG2 3.34Å; R184-T187 PolarHBondContact O-N 2.94Å; R184-T187 PolarHBondContact O-OG1 2.84Å
188H89.3Confident94.7Very high101 Ų10137.5 Ų37.547%0.46818%0.182SC..THydrogen-bonded Turntrans-89.9-9.7178.765.9-87.8000113.1L185 L186L185-H188 PolarHBondContact O-CE1 3.28Å; L185-H188 PolarHBondContact O-ND1 3.39Å; L186-H188 PolarHBondContact O-N 2.78Å
189L91.7Very high94.7Very high22 Ų2240.3 Ų40.312%0.11520%0.196CC..SBendtrans-84.8143.4177.5-66.3-169.6000111.4L186 E193 M194 V200 A203L186-L189 HydrophobicContact CD2-CD1 3.91Å; L186-L189 HydrophobicContact CD2-CG 4.48Å; L186-L189 PolarHBondContact O-N 2.81Å; L186-L189 VanDerWaalsContact O-N 3.08Å; L189-E193 WeakPolarHBondContact CA-OE2 3.47Å; L189-E193 HydrophobicContact CB-CB 4.24Å; L189-E193 HydrophobicContact CD1-CB 4.46Å; L189-E193 HydrophobicContact CD2-CB 4.49Å; L189-M194 HydrophobicContact CB-CG 3.86Å; L189-M194 HydrophobicContact CB-SD 3.83Å; L189-M194 HydrophobicContact CD1-SD 3.77Å; L189-M194 HydrophobicContact CG-SD 4.34Å; L189-V200 HydrophobicContact CD1-CG2 4.25Å; L189-A203 HydrophobicContact CD1-CB 3.7Å; L189-A203 HydrophobicContact CD2-CB 4.02Å; L189-A203 HydrophobicContact CG-CB 4.12Å
190E91.6Very high94.8Very high96 Ų9640 Ų4045%0.44920%0.195SC..  trans-72.6154.5172.8-68-61.7145.300111.2K192 E193 M194E190-K192 PolarHBondContact O-N 3.48Å; E190-K192 VanDerWaalsContact O-N 3.11Å; E190-E193 HydrophobicContact CB-CG 4.17Å; E190-E193 PolarHBondContact N-OE2 3.44Å; E190-E193 WeakPolarHBondContact O-CB 3.24Å; E190-E193 PolarHBondContact O-N 2.96Å; E190-M194 PolarHBondContact O-N 3.25Å
191P89.6Confident94.8Very high26 Ų2638.7 Ų38.717%0.16919%0.188CC..THydrogen-bonded Turntrans-53.4-37.9-179.3-28.735.1000114.2V108 E193 M194 Q195V108-P191 HydrophobicContact CG1-CB 4.38Å; V108-P191 HydrophobicContact CG2-CB 4.14Å; V108-P191 WeakPolarHBondContact CG2-O 3.49Å; P191-E193 VanDerWaalsContact C-N 3.32Å; P191-E193 PolarHBondContact O-N 2.87Å; P191-M194 WeakPolarHBondContact O-CB 3.05Å; P191-M194 PolarHBondContact O-N 2.84Å; P191-Q195 PolarHBondContact O-N 2.94Å
192K90.4Very high94.9Very high170 Ų17039 Ų3974%0.73919%0.189SC*.THydrogen-bonded Turntrans-65.3-36.3177.7-172178.7-179.5-176.40112.2E190 M194 Q195E190-K192 PolarHBondContact O-N 3.48Å; E190-K192 VanDerWaalsContact O-N 3.11Å; K192-M194 VanDerWaalsContact C-N 3.34Å; K192-Q195 WeakPolarHBondContact O-CB 3.41Å; K192-Q195 PolarHBondContact O-N 2.83Å
193E94.9Very high94.9Very high67 Ų6739.2 Ų39.231%0.31319%0.191SC..G310 helixtrans-70.6-36.9178.1-56.3178.9124.400110.7L189 E190 P191 Q195 S196 L199L189-E193 WeakPolarHBondContact CA-OE2 3.47Å; L189-E193 HydrophobicContact CB-CB 4.24Å; L189-E193 HydrophobicContact CD1-CB 4.46Å; L189-E193 HydrophobicContact CD2-CB 4.49Å; E190-E193 HydrophobicContact CB-CG 4.17Å; E190-E193 PolarHBondContact N-OE2 3.44Å; E190-E193 WeakPolarHBondContact O-CB 3.24Å; E190-E193 PolarHBondContact O-N 2.96Å; P191-E193 VanDerWaalsContact C-N 3.32Å; P191-E193 PolarHBondContact O-N 2.87Å; E193-Q195 PolarHBondContact O-N 2.88Å; E193-Q195 VanDerWaalsContact O-N 3.1Å; E193-S196 PolarHBondContact O-N 3.27Å; E193-L199 HydrophobicContact CB-CB 4.31Å; E193-L199 HydrophobicContact CB-CD1 3.92Å; E193-L199 HydrophobicContact CG-CD1 3.94Å
194M95.4Very high95Very high10 Ų1039 Ų395%0.04919%0.19CC..G310 helixtrans-66.4-3.2173.7-67.9-67.1-71.400114.2V108 V109 F183 L186 L189 E190 P191 K192 V200V108-M194 HydrophobicContact CG1-CB 3.65Å; V109-M194 HydrophobicContact CG2-CE 4.13Å; V109-M194 VanDerWaalsContact CG2-O 3.31Å; V109-M194 WeakPolarHBondContact CG2-O 3.3Å; V109-M194 PolarHBondContact N-O 2.89Å; V109-M194 WeakPolarHBondContact O-CE 3.47Å; F183-M194 HydrophobicContact CD1-CE 4.12Å; F183-M194 HydrophobicContact CE1-CE 4.25Å; L186-M194 HydrophobicContact CB-CE 4.03Å; L186-M194 HydrophobicContact CB-SD 3.84Å; L186-M194 HydrophobicContact CD1-CE 4.03Å; L186-M194 HydrophobicContact CD1-SD 4.15Å; L186-M194 HydrophobicContact CG-SD 4.47Å; L189-M194 HydrophobicContact CB-CG 3.86Å; L189-M194 HydrophobicContact CB-SD 3.83Å; L189-M194 HydrophobicContact CD1-SD 3.77Å; L189-M194 HydrophobicContact CG-SD 4.34Å; E190-M194 PolarHBondContact O-N 3.25Å; P191-M194 WeakPolarHBondContact O-CB 3.05Å; P191-M194 PolarHBondContact O-N 2.84Å; K192-M194 VanDerWaalsContact C-N 3.34Å; M194-V200 HydrophobicContact SD-CG2 4.09Å
195Q95.9Very high95.2Very high58 Ų5835 Ų3527%0.27118%0.175SC..G310 helixtrans-86.9-24.5168.1-61.6178.4-2.800112.3R37 D106 V108 P191 K192 E193R37-Q195 PolarHBondContact NH1-O 3.04Å; D106-Q195 VanDerWaalsContact O-CB 3.31Å; D106-Q195 WeakPolarHBondContact O-CB 3.33Å; D106-Q195 WeakPolarHBondContact O-CG 3.3Å; V108-Q195 HydrophobicContact CB-CG 4.39Å; V108-Q195 HydrophobicContact CG2-CG 3.72Å; P191-Q195 PolarHBondContact O-N 2.94Å; K192-Q195 WeakPolarHBondContact O-CB 3.41Å; K192-Q195 PolarHBondContact O-N 2.83Å; E193-Q195 PolarHBondContact O-N 2.88Å; E193-Q195 VanDerWaalsContact O-N 3.1Å
196S98Very high95.3Very high34 Ų3435 Ų3524%0.23818%0.175CC..  trans-95.8120.4-169.81770000111.3E193 V198 L199 V200E193-S196 PolarHBondContact O-N 3.27Å; S196-V198 PolarHBondContact O-N 2.77Å; S196-V198 PolarHBondContact OG-N 2.89Å; S196-L199 PolarHBondContact O-N 3.14Å; S196-L199 PolarHBondContact OG-N 2.88Å; S196-V200 WeakPolarHBondContact O-CB 3.48Å; S196-V200 VanDerWaalsContact O-CG2 3.31Å; S196-V200 WeakPolarHBondContact O-CG2 3.31Å; S196-V200 PolarHBondContact O-N 3Å
197P98.4Very high95.5Very high5 Ų536 Ų363%0.03218%0.18CC..Hα-helixtrans-63.5-28.8173.628.8-35.4000111.8F128 S136 V137 S201 I272 M322F128-P197 HydrophobicContact CD1-CB 4.36Å; F128-P197 HydrophobicContact CE1-CB 3.84Å; F128-P197 HydrophobicContact CE1-CG 4.36Å; F128-P197 HydrophobicContact CZ-CB 4.07Å; S136-P197 VanDerWaalsContact OG-CD 3.26Å; S136-P197 WeakPolarHBondContact OG-CD 3.39Å; S136-P197 VanDerWaalsContact OG-CG 3.28Å; S136-P197 WeakPolarHBondContact OG-CG 3.47Å; V137-P197 HydrophobicContact CG1-CB 3.62Å; V137-P197 HydrophobicContact CG1-CG 4.01Å; P197-S201 WeakPolarHBondContact O-CB 3.38Å; P197-S201 PolarHBondContact O-N 2.85Å; P197-S201 PolarHBondContact O-OG 3.16Å; P197-I272 HydrophobicContact CB-CD1 4.23Å; P197-M322 HydrophobicContact CB-CB 4.15Å; P197-M322 HydrophobicContact CB-SD 4.16Å; P197-M322 HydrophobicContact CG-CB 3.94Å; P197-M322 HydrophobicContact CG-SD 4.35Å
198V98.6Very high95.8Very high6 Ų633.1 Ų33.14%0.03616%0.162CC..Hα-helixtrans-62.3-50.5177.9175.90000110.8S196 S201 R202 M322 P353 Y368S196-V198 PolarHBondContact O-N 2.77Å; S196-V198 PolarHBondContact OG-N 2.89Å; V198-S201 PolarHBondContact O-OG 3.25Å; V198-R202 WeakPolarHBondContact O-CB 3.21Å; V198-R202 PolarHBondContact O-N 2.68Å; V198-R202 VanDerWaalsContact O-N 3.1Å; V198-M322 HydrophobicContact CB-SD 4.35Å; V198-M322 HydrophobicContact CG2-SD 3.74Å; V198-P353 HydrophobicContact CB-CG 4.4Å; V198-P353 HydrophobicContact CG1-CG 3.66Å; V198-Y368 HydrophobicContact CG1-CE2 4.11Å
199L98.1Very high96.1Very high59 Ų5928.4 Ų28.431%0.30914%0.141SC..Hα-helixtrans-74.4-41.7-177.8-62.8175.9000111.1E193 S196 S201 R202 A203E193-L199 HydrophobicContact CB-CB 4.31Å; E193-L199 HydrophobicContact CB-CD1 3.92Å; E193-L199 HydrophobicContact CG-CD1 3.94Å; S196-L199 PolarHBondContact O-N 3.14Å; S196-L199 PolarHBondContact OG-N 2.88Å; L199-S201 PolarHBondContact O-N 2.74Å; L199-R202 PolarHBondContact O-N 2.82Å; L199-A203 WeakPolarHBondContact O-CB 3.21Å; L199-A203 PolarHBondContact O-N 2.85Å
200V98.6Very high96.3Very high0 Ų028.1 Ų28.10%014%0.142CC..Hα-helixtrans-62-44.8175.9172.50000111.1V109 F128 L186 L189 M194 S196 A203 I204 I272V109-V200 HydrophobicContact CG2-CG2 4.48Å; F128-V200 HydrophobicContact CE2-CB 4.12Å; F128-V200 HydrophobicContact CE2-CG1 3.95Å; F128-V200 HydrophobicContact CE2-CG2 4.26Å; F128-V200 HydrophobicContact CZ-CB 4.16Å; F128-V200 HydrophobicContact CZ-CG1 4.49Å; F128-V200 HydrophobicContact CZ-CG2 4.07Å; L186-V200 HydrophobicContact CD1-CG1 3.73Å; L186-V200 HydrophobicContact CD2-CG1 4.43Å; L189-V200 HydrophobicContact CD1-CG2 4.25Å; M194-V200 HydrophobicContact SD-CG2 4.09Å; S196-V200 WeakPolarHBondContact O-CB 3.48Å; S196-V200 VanDerWaalsContact O-CG2 3.31Å; S196-V200 WeakPolarHBondContact O-CG2 3.31Å; S196-V200 PolarHBondContact O-N 3Å; V200-A203 PolarHBondContact O-N 2.68Å; V200-I204 HydrophobicContact CG1-CD1 3.92Å; V200-I204 HydrophobicContact CG1-CG1 4.35Å; V200-I204 WeakPolarHBondContact O-CG1 3.44Å; V200-I204 PolarHBondContact O-N 2.76Å; V200-I272 HydrophobicContact CG1-CD1 4.36Å
201S98.5Very high96.2Very high0 Ų026.2 Ų26.20%014%0.142CC..Hα-helixtrans-66.7-40.4-179.973.90000112.1P197 V198 L199 A203 I204 C205P197-S201 WeakPolarHBondContact O-CB 3.38Å; P197-S201 PolarHBondContact O-N 2.85Å; P197-S201 PolarHBondContact O-OG 3.16Å; V198-S201 PolarHBondContact O-OG 3.25Å; L199-S201 PolarHBondContact O-N 2.74Å; S201-A203 VanDerWaalsContact C-N 3.35Å; S201-I204 PolarHBondContact O-N 2.77Å; S201-C205 VanDerWaalsContact O-CB 3.25Å; S201-C205 WeakPolarHBondContact O-CB 3.48Å; S201-C205 PolarHBondContact O-N 2.81Å
202R97.9Very high96.1Very high7 Ų726.2 Ų26.23%0.02614%0.141CC..Hα-helixtrans-63.8-39.1175.3-170165.3173.984.8-8.3111.8V198 L199 C205 T206 S345 E346 G352 Y368 D369V198-R202 WeakPolarHBondContact O-CB 3.21Å; V198-R202 PolarHBondContact O-N 2.68Å; V198-R202 VanDerWaalsContact O-N 3.1Å; L199-R202 PolarHBondContact O-N 2.82Å; R202-C205 WeakPolarHBondContact O-CB 3.47Å; R202-C205 PolarHBondContact O-N 2.75Å; R202-T206 PolarHBondContact O-N 3.03Å; R202-T206 PolarHBondContact O-OG1 2.96Å; R202-S345 PolarHBondContact NH2-OG 3.3Å; R202-E346 IonicContact CZ-OE2 2.65Å; R202-E346 IonicContact NE-OE2 3.19Å; R202-E346 IonicContact NH2-OE2 2.79Å; R202-E346 PolarHBondContact NH2-OE2 2.9Å; R202-G352 WeakPolarHBondContact CD-O 3.44Å; R202-G352 WeakPolarHBondContact CG-O 3.41Å; R202-G352 PolarHBondContact NH1-O 2.86Å; R202-Y368 VanDerWaalsContact CZ-CD1 3.47Å; R202-D369 IonicContact CZ-OD2 2.74Å; R202-D369 IonicContact NH1-OD2 3.58Å; R202-D369 PolarHBondContact NH1-OD2 2.9Å; R202-D369 IonicContact NH2-OD2 3.52Å
203A97.6Very high95.5Very high6 Ų623.7 Ų23.75%0.0514%0.135CC..Hα-helixtrans-68.3-4517500000112.4L186 L189 L199 V200 S201 C205 T206 M207L186-A203 HydrophobicContact CD2-CB 3.77Å; L189-A203 HydrophobicContact CD1-CB 3.7Å; L189-A203 HydrophobicContact CD2-CB 4.02Å; L189-A203 HydrophobicContact CG-CB 4.12Å; L199-A203 WeakPolarHBondContact O-CB 3.21Å; L199-A203 PolarHBondContact O-N 2.85Å; V200-A203 PolarHBondContact O-N 2.68Å; S201-A203 VanDerWaalsContact C-N 3.35Å; A203-C205 VanDerWaalsContact C-N 3.3Å; A203-C205 PolarHBondContact O-N 2.87Å; A203-T206 WeakPolarHBondContact O-CB 3.4Å; A203-T206 PolarHBondContact O-N 2.84Å; A203-M207 WeakPolarHBondContact O-CB 3.47Å; A203-M207 VanDerWaalsContact O-CG 3.29Å; A203-M207 WeakPolarHBondContact O-CG 3.12Å; A203-M207 PolarHBondContact O-N 2.86Å
204I98.1Very high94.8Very high1 Ų129 Ų291%0.00516%0.158CC..Hα-helixtrans-56.9-48173.4-69.6175.7000109.7L186 V200 S201 T206 M207 M208 L263 A266 L267 V270L186-I204 HydrophobicContact CD1-CD1 4.3Å; L186-I204 HydrophobicContact CD1-CG1 4.21Å; L186-I204 HydrophobicContact CD2-CG1 3.88Å; L186-I204 HydrophobicContact CG-CG1 4.29Å; V200-I204 HydrophobicContact CG1-CD1 3.92Å; V200-I204 HydrophobicContact CG1-CG1 4.35Å; V200-I204 WeakPolarHBondContact O-CG1 3.44Å; V200-I204 PolarHBondContact O-N 2.76Å; S201-I204 PolarHBondContact O-N 2.77Å; I204-T206 VanDerWaalsContact C-N 3.35Å; I204-T206 PolarHBondContact O-N 2.82Å; I204-M207 PolarHBondContact O-N 3.38Å; I204-M207 VanDerWaalsContact O-N 3.13Å; I204-M208 HydrophobicContact CG2-CE 3.98Å; I204-M208 WeakPolarHBondContact O-CE 3.39Å; I204-M208 WeakPolarHBondContact O-CG 3.16Å; I204-M208 PolarHBondContact O-N 2.85Å; I204-M208 VanDerWaalsContact O-N 3.08Å; I204-L263 HydrophobicContact CB-CD1 4.49Å; I204-L263 HydrophobicContact CG2-CD1 3.67Å; I204-A266 HydrophobicContact CG2-CB 3.5Å; I204-A266 VanDerWaalsContact CG2-CB 3.5Å; I204-L267 HydrophobicContact CB-CD2 4.47Å; I204-L267 HydrophobicContact CD1-CD2 4.13Å; I204-L267 HydrophobicContact CG2-CD2 4.44Å; I204-V270 HydrophobicContact CD1-CG1 4.26Å; I204-V270 HydrophobicContact CD1-CG2 3.77Å
205C97.8Very high94.6Very high0 Ų028.5 Ų28.50%016%0.155CC..Hα-helixtrans-54-50.1177.1-174.40000111.9S201 R202 A203 M207 M208 L263 L337 D338 S339S201-C205 VanDerWaalsContact O-CB 3.25Å; S201-C205 WeakPolarHBondContact O-CB 3.48Å; S201-C205 PolarHBondContact O-N 2.81Å; R202-C205 WeakPolarHBondContact O-CB 3.47Å; R202-C205 PolarHBondContact O-N 2.75Å; A203-C205 VanDerWaalsContact C-N 3.3Å; A203-C205 PolarHBondContact O-N 2.87Å; C205-M207 VanDerWaalsContact C-N 3.32Å; C205-M207 PolarHBondContact O-N 2.97Å; C205-M208 PolarHBondContact O-N 2.95Å; C205-L263 HydrophobicContact CB-CD1 4.15Å; C205-L263 HydrophobicContact CB-CD2 4.33Å; C205-L337 HydrophobicContact CB-CD2 4.1Å; C205-D338 PolarHBondContact SG-O 3.5Å; C205-S339 WeakPolarHBondContact O-CB 3.48Å; C205-S339 PolarHBondContact SG-N 2.86Å
206T97.1Very high94.7Very high4 Ų425.7 Ų25.73%0.02514%0.142CC..Hα-helixtrans-55.6-47.2175.6-55.40000111.7R202 A203 I204 M208 C209 N212 Q348 R350R202-T206 PolarHBondContact O-N 3.03Å; R202-T206 PolarHBondContact O-OG1 2.96Å; A203-T206 WeakPolarHBondContact O-CB 3.4Å; A203-T206 PolarHBondContact O-N 2.84Å; I204-T206 VanDerWaalsContact C-N 3.35Å; I204-T206 PolarHBondContact O-N 2.82Å; T206-M208 VanDerWaalsContact C-N 3.27Å; T206-M208 PolarHBondContact O-N 2.97Å; T206-C209 PolarHBondContact O-N 2.86Å; T206-N212 HydrophobicContact CG2-CB 4.04Å; T206-N212 WeakPolarHBondContact CG2-ND2 3.32Å; T206-N212 PolarHBondContact O-ND2 2.84Å; T206-Q348 HydrophobicContact CG2-CB 4.27Å; T206-R350 WeakPolarHBondContact OG1-CD 3.35Å; T206-R350 PolarHBondContact OG1-NH1 3.16Å
207M97.3Very high94.7Very high23 Ų2324.1 Ų24.111%0.11313%0.131CC..Hα-helixtrans-73.5-15.2-174.6-68.6-55.7-59.500113.8L185 A203 I204 C205 C209 F214 G215 V216L185-M207 HydrophobicContact CB-CB 4.01Å; L185-M207 HydrophobicContact CB-CG 4.13Å; L185-M207 HydrophobicContact CD1-CB 4.35Å; L185-M207 HydrophobicContact CD2-CB 4.3Å; L185-M207 HydrophobicContact CD2-CE 3.72Å; L185-M207 HydrophobicContact CG-CB 4.44Å; A203-M207 WeakPolarHBondContact O-CB 3.47Å; A203-M207 VanDerWaalsContact O-CG 3.29Å; A203-M207 WeakPolarHBondContact O-CG 3.12Å; A203-M207 PolarHBondContact O-N 2.86Å; I204-M207 PolarHBondContact O-N 3.38Å; I204-M207 VanDerWaalsContact O-N 3.13Å; C205-M207 VanDerWaalsContact C-N 3.32Å; C205-M207 PolarHBondContact O-N 2.97Å; M207-C209 PolarHBondContact O-N 2.88Å; M207-F214 HydrophobicContact CE-CB 4.4Å; M207-F214 WeakPolarHBondContact CE-O 3.28Å; M207-G215 CarbonylContact O-C 3.51Å; M207-G215 WeakPolarHBondContact O-CA 3.33Å; M207-V216 WeakPolarHBondContact O-CG2 3.23Å; M207-V216 PolarHBondContact O-N 2.8Å
208M97.3Very high94.7Very high1 Ų125.7 Ų25.71%0.00514%0.141CC..Hα-helixtrans-67.9-26.7173.2-65.9-50.996.600111.6L185 I204 C205 T206 V216 L217 V262 L263 A266L185-M208 HydrophobicContact CD1-CE 3.55Å; I204-M208 HydrophobicContact CG2-CE 3.98Å; I204-M208 WeakPolarHBondContact O-CE 3.39Å; I204-M208 WeakPolarHBondContact O-CG 3.16Å; I204-M208 PolarHBondContact O-N 2.85Å; I204-M208 VanDerWaalsContact O-N 3.08Å; C205-M208 PolarHBondContact O-N 2.95Å; T206-M208 VanDerWaalsContact C-N 3.27Å; T206-M208 PolarHBondContact O-N 2.97Å; M208-V216 HydrophobicContact CE-CG2 3.95Å; M208-V216 HydrophobicContact SD-CG2 4.42Å; M208-L217 WeakPolarHBondContact O-CB 3.38Å; M208-L217 PolarHBondContact O-N 3.2Å; M208-V262 HydrophobicContact SD-CB 4.26Å; M208-V262 HydrophobicContact SD-CG1 3.52Å; M208-V262 VanDerWaalsContact SD-CG1 3.52Å; M208-L263 HydrophobicContact CG-CB 4.03Å; M208-L263 HydrophobicContact CG-CD1 4.08Å; M208-A266 HydrophobicContact CE-CB 4.25Å; M208-A266 HydrophobicContact SD-CB 4.35Å
209C95.4Very high94.6Very high1 Ų126.7 Ų26.71%0.00715%0.152CC..BIsolated β-bridgetrans-98.6118.5-176.9-172.40000112.9T206 M207 A211 N212 F259 S339T206-C209 PolarHBondContact O-N 2.86Å; M207-C209 PolarHBondContact O-N 2.88Å; C209-A211 PolarHBondContact O-N 3.24Å; C209-N212 PolarHBondContact O-N 3.36Å; C209-F259 HydrophobicContact CB-CE1 4.29Å; C209-S339 WeakPolarHBondContact CB-O 3.16Å
210A95Very high94.4Very high17 Ų1724.8 Ų24.814%0.1414%0.142CC..G310 helixtrans-67.7-15.7179.200000114.2N212 N213 L217 V218 P250A210-N212 PolarHBondContact O-N 3.31Å; A210-N213 PolarHBondContact O-N 3Å; A210-L217 VanDerWaalsContact CB-O 3.25Å; A210-L217 WeakPolarHBondContact CB-O 3.36Å; A210-L217 PolarHBondContact N-O 2.94Å; A210-V218 HydrophobicContact CB-CG2 3.82Å; A210-P250 HydrophobicContact CB-CB 3.7Å; A210-P250 HydrophobicContact CB-CG 4Å
211A91.1Very high94.1Very high56 Ų5626.8 Ų26.846%0.46315%0.15SC..G310 helixtrans-64.5-18.4175.100000112.9C209 N213 F349C209-A211 PolarHBondContact O-N 3.24Å; A211-N213 VanDerWaalsContact C-N 3.26Å; A211-N213 PolarHBondContact O-N 3.41Å; A211-F349 HydrophobicContact CB-CD2 3.47Å; A211-F349 VanDerWaalsContact CB-CD2 3.47Å; A211-F349 HydrophobicContact CB-CE2 3.85Å; A211-F349 HydrophobicContact CB-CG 4.24Å
212N86.4Confident93.7Very high25 Ų2530.7 Ų30.713%0.13417%0.174CC..G310 helixtrans-84.99.9177.5-66-38.2000114.4T206 C209 A210 Q348 F349T206-N212 HydrophobicContact CG2-CB 4.04Å; T206-N212 WeakPolarHBondContact CG2-ND2 3.32Å; T206-N212 PolarHBondContact O-ND2 2.84Å; C209-N212 PolarHBondContact O-N 3.36Å; A210-N212 PolarHBondContact O-N 3.31Å; N212-Q348 WeakPolarHBondContact OD1-CA 3.46Å; N212-F349 PolarHBondContact ND2-O 3.41Å; N212-F349 PolarHBondContact OD1-N 2.91Å
213N78.8Confident93.2Very high117 Ų11730.7 Ų30.763%0.62618%0.176SC*.SBendtrans63.7136.4-165.3-56.2-47.8000112.6A210 A211 G215A210-N213 PolarHBondContact O-N 3Å; A211-N213 VanDerWaalsContact C-N 3.26Å; A211-N213 PolarHBondContact O-N 3.41Å; N213-G215 PolarHBondContact O-N 2.83Å
214F79.6Confident92.9Very high178 Ų17835 Ų3578%0.78120%0.198SC*.SBendtrans61.67-179.9-47.6-74.6000117.2M207M207-F214 HydrophobicContact CE-CB 4.4Å; M207-F214 WeakPolarHBondContact CE-O 3.28Å
215G92.2Very high92.6Very high0 Ų035.4 Ų35.40%020%0.2CC..  trans-72.5171176.700000114.6M207 N213 H244M207-G215 CarbonylContact O-C 3.51Å; M207-G215 WeakPolarHBondContact O-CA 3.33Å; N213-G215 PolarHBondContact O-N 2.83Å; G215-H244 PolarHBondContact O-CE1 3.45Å
216V97.8Very high92.2Very high0 Ų039.6 Ų39.60%023%0.229CC..SBendtrans-76.5-47.7-170.2175.10000112.8L185 M207 M208 I240 L241 H244 P250 V251 V262L185-V216 HydrophobicContact CD1-CG2 3.6Å; L185-V216 HydrophobicContact CD2-CG2 4.12Å; M207-V216 WeakPolarHBondContact O-CG2 3.23Å; M207-V216 PolarHBondContact O-N 2.8Å; M208-V216 HydrophobicContact CE-CG2 3.95Å; M208-V216 HydrophobicContact SD-CG2 4.42Å; V216-I240 HydrophobicContact CG1-CG2 3.9Å; V216-L241 HydrophobicContact CG1-CD2 4.07Å; V216-L241 HydrophobicContact CG2-CD2 4.31Å; V216-H244 HydrophobicContact CG1-CB 4.09Å; V216-P250 CarbonylContact O-C 3.56Å; V216-P250 WeakPolarHBondContact O-CA 2.86Å; V216-V251 PolarHBondContact O-N 2.95Å; V216-V262 HydrophobicContact CG1-CG1 4.36Å
217L97.8Very high92Very high1 Ų145.3 Ų45.31%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-127.6133.8-162.7-170.367.1000111.8M208 A210 I240 V251 V258 F259M208-L217 WeakPolarHBondContact O-CB 3.38Å; M208-L217 PolarHBondContact O-N 3.2Å; A210-L217 VanDerWaalsContact CB-O 3.25Å; A210-L217 WeakPolarHBondContact CB-O 3.36Å; A210-L217 PolarHBondContact N-O 2.94Å; L217-I240 HydrophobicContact CD1-CG2 4.03Å; L217-V251 HydrophobicContact CD1-CB 4.23Å; L217-V251 HydrophobicContact CD1-CG1 4.35Å; L217-V258 HydrophobicContact CD2-CB 4.13Å; L217-V258 HydrophobicContact CD2-CG1 3.58Å; L217-F259 HydrophobicContact CB-CD1 4.4Å; L217-F259 HydrophobicContact CB-CE1 3.76Å; L217-F259 HydrophobicContact CB-CZ 4.22Å; L217-F259 HydrophobicContact CD2-CD1 3.88Å; L217-F259 HydrophobicContact CD2-CD2 4.39Å; L217-F259 HydrophobicContact CD2-CE1 3.82Å; L217-F259 HydrophobicContact CD2-CE2 4.33Å; L217-F259 HydrophobicContact CD2-CG 4.15Å; L217-F259 HydrophobicContact CD2-CZ 4.05Å; L217-F259 HydrophobicContact CG-CE1 4.03Å; L217-F259 HydrophobicContact CG-CZ 4.1Å
218V97.6Very high91.9Very high38 Ų3846 Ų4623%0.2327%0.272CS..EExtended strand (participates in β ladder)trans-90.9119.9175.8-176.10000109.3A210 P250 V251 R252 F253 G254A210-V218 HydrophobicContact CB-CG2 3.82Å; V218-P250 HydrophobicContact CG2-CB 3.57Å; V218-V251 PolarHBondContact N-O 2.87Å; V218-R252 HydrophobicContact CB-CG 3.92Å; V218-R252 HydrophobicContact CG1-CG 4.43Å; V218-R252 HydrophobicContact CG2-CG 3.82Å; V218-F253 HydrophobicContact CB-CD1 4.04Å; V218-F253 HydrophobicContact CB-CE1 4.41Å; V218-F253 HydrophobicContact CG1-CD1 3.86Å; V218-F253 HydrophobicContact CG1-CE1 3.92Å; V218-F253 CarbonylContact O-C 3.59Å; V218-F253 VanDerWaalsContact O-CA 3.28Å; V218-F253 WeakPolarHBondContact O-CA 3.25Å; V218-G254 PolarHBondContact O-N 3.16Å
219G96.3Very high91.6Very high27 Ų2748 Ų4828%0.27829%0.285SS..EExtended strand (participates in β ladder)trans-71.5139.3175.200000112.5G254G219-G254 WeakPolarHBondContact CA-O 3.13Å
220N94.9Very high91.4Very high18 Ų1848.4 Ų48.410%0.09629%0.288CS..  trans-152.8125.5174.2-171.9-4.7000112.2T222 D224 Y225 F253 G254 Q255N220-T222 WeakPolarHBondContact OD1-CB 3.43Å; N220-T222 WeakPolarHBondContact OD1-CG2 3.47Å; N220-T222 PolarHBondContact OD1-N 2.78Å; N220-T222 PolarHBondContact OD1-OG1 3.01Å; N220-D224 PolarHBondContact ND2-O 3.36Å; N220-Y225 HydrophobicContact CB-CD1 4.38Å; N220-Y225 HydrophobicContact CB-CE1 4.01Å; N220-Y225 PolarHBondContact O-OH 3.02Å; N220-F253 HydrophobicContact CB-CB 3.75Å; N220-F253 HydrophobicContact CB-CD1 3.45Å; N220-F253 VanDerWaalsContact CB-CD1 3.45Å; N220-F253 HydrophobicContact CB-CD2 4.33Å; N220-F253 HydrophobicContact CB-CE1 4.08Å; N220-F253 HydrophobicContact CB-CG 3.59Å; N220-G254 PolarHBondContact N-O 3.47Å; N220-Q255 VanDerWaalsContact O-CG 3.31Å; N220-Q255 WeakPolarHBondContact O-CG 3.3Å; N220-Q255 PolarHBondContact O-NE2 3.31Å
221W92.5Very high91.3Very high42 Ų4247.6 Ų47.616%0.15928%0.282CS..  trans-125.512.1178.6-74.6-98.5000112.8G223 Q255 F259 W312 T340 P341 Y498 T499W221-G223 PolarHBondContact O-N 2.84Å; W221-Q255 HydrophobicContact CD2-CG 3.91Å; W221-Q255 HydrophobicContact CG-CG 4.2Å; W221-Q255 VanDerWaalsContact CZ2-CA 3.5Å; W221-Q255 HydrophobicContact CZ2-CB 3.82Å; W221-Q255 HydrophobicContact CZ2-CG 3.92Å; W221-F259 HydrophobicContact CH2-CD2 4.36Å; W221-F259 AromaticContact CH2-CE2 3.97Å; W221-F259 HydrophobicContact CH2-CE2 3.97Å; W221-W312 AromaticContact CE2-CH2 3.76Å; W221-W312 AromaticContact CZ2-CH2 3.88Å; W221-W312 HydrophobicContact CZ2-CH2 3.88Å; W221-W312 HydrophobicContact CZ2-CZ3 4.13Å; W221-W312 AromaticContact NE1-CH2 3.61Å; W221-W312 AromaticContact NE1-CZ3 3.71Å; W221-T340 HydrophobicContact CH2-CG2 3.66Å; W221-T340 HydrophobicContact CZ2-CG2 3.79Å; W221-P341 HydrophobicContact CH2-CG 4.49Å; W221-P341 HydrophobicContact CZ3-CG 4.28Å; W221-Y498 AromaticContact CD1-CE1 3.81Å; W221-Y498 AromaticContact CD1-CZ 3.88Å; W221-Y498 AromaticContact NE1-CE1 3.87Å; W221-Y498 AromaticContact NE1-CZ 3.45Å; W221-Y498 PolarHBondContact NE1-OH 3.42Å; W221-T499 HydrophobicContact CG-CG2 4.29Å
222T90.3Very high91.2Very high83 Ų8345.7 Ų45.751%0.50926%0.262SS..SBendtrans-69-29.2-177.9650000111.5N220 D224 K503N220-T222 WeakPolarHBondContact OD1-CB 3.43Å; N220-T222 WeakPolarHBondContact OD1-CG2 3.47Å; N220-T222 PolarHBondContact OD1-N 2.78Å; N220-T222 PolarHBondContact OD1-OG1 3.01Å; T222-D224 VanDerWaalsContact C-N 3.33Å; T222-D224 PolarHBondContact OG1-N 3.42Å; T222-D224 PolarHBondContact OG1-O 2.94Å; T222-K503 PolarHBondContact O-NZ 2.86Å
223G87.3Confident91.2Very high7 Ų745.7 Ų45.77%0.07226%0.264CS..SBendtrans82.99.2-168.800000113.7W221 D539W221-G223 PolarHBondContact O-N 2.84Å; G223-D539 WeakPolarHBondContact O-CB 3.49Å; G223-D539 PolarHBondContact O-N 2.9Å
224D90.4Very high91.7Very high96 Ų9641.4 Ų41.451%0.51324%0.238SC..  trans-109.3114.9164.11785.1000109.3N220 T222 S226N220-D224 PolarHBondContact ND2-O 3.36Å; T222-D224 VanDerWaalsContact C-N 3.33Å; T222-D224 PolarHBondContact OG1-N 3.42Å; T222-D224 PolarHBondContact OG1-O 2.94Å; D224-S226 VanDerWaalsContact OD1-CB 3.27Å; D224-S226 WeakPolarHBondContact OD1-CB 3.2Å; D224-S226 PolarHBondContact OD1-N 3.28Å; D224-S226 PolarHBondContact OD1-OG 3.35Å
225Y92.4Very high92.1Very high9 Ų933 Ų334%0.03520%0.202CC..  trans-117.714.5-176.5-54.8-53.3000113.1N220 N227 G228 A230 P231 Y232 F253 Q255 D539 D540N220-Y225 HydrophobicContact CB-CD1 4.38Å; N220-Y225 HydrophobicContact CB-CE1 4.01Å; N220-Y225 PolarHBondContact O-OH 3.02Å; Y225-N227 PolarHBondContact O-N 3.15Å; Y225-G228 CarbonylContact O-C 3.55Å; Y225-G228 PolarHBondContact O-N 2.86Å; Y225-A230 HydrophobicContact CD2-CB 3.42Å; Y225-A230 VanDerWaalsContact CD2-CB 3.42Å; Y225-A230 HydrophobicContact CE2-CB 4.24Å; Y225-A230 HydrophobicContact CG-CB 3.72Å; Y225-P231 HydrophobicContact CD1-CG 4.42Å; Y225-P231 VanDerWaalsContact CE1-CD 3.47Å; Y225-P231 HydrophobicContact CE1-CG 3.92Å; Y225-Y232 HydrophobicContact CD2-CE1 4.15Å; Y225-Y232 HydrophobicContact CE2-CE1 4.07Å; Y225-F253 AromaticContact CD1-CD2 3.95Å; Y225-F253 HydrophobicContact CD1-CD2 3.95Å; Y225-F253 HydrophobicContact CD1-CG 4.48Å; Y225-Q255 PolarHBondContact OH-NE2 3.48Å; Y225-D539 HydrophobicContact CD2-CB 4.27Å; Y225-D539 VanDerWaalsContact CE2-O 3.22Å; Y225-D539 WeakPolarHBondContact CE2-O 3.29Å; Y225-D540 HydrophobicContact CE2-CB 4.42Å; Y225-D540 PolarHBondContact OH-OD2 2.78Å
226S90Very high92.1Very high88 Ų8833.2 Ų33.262%0.61520%0.204SC*.THydrogen-bonded Turntrans-51.7-32.3-174.951.20000115.1D224D224-S226 VanDerWaalsContact OD1-CB 3.27Å; D224-S226 WeakPolarHBondContact OD1-CB 3.2Å; D224-S226 PolarHBondContact OD1-N 3.28Å; D224-S226 PolarHBondContact OD1-OG 3.35Å
227N92.6Very high92Very high124 Ų12433.2 Ų33.266%0.66320%0.204SC*.THydrogen-bonded Turntrans-96.721-178.2-67.4-49.4000114.3Y225Y225-N227 PolarHBondContact O-N 3.15Å
228G93.9Very high91.9Very high37 Ų3734 Ų3438%0.38121%0.208SC..SBendtrans-171.5-162.6-178.900000113.3Y225Y225-G228 CarbonylContact O-C 3.55Å; Y225-G228 PolarHBondContact O-N 2.86Å
229T92.6Very high91.8Very high44 Ų4434.6 Ų34.627%0.2721%0.213SC..  trans-92.8129.4171.6-58.70000109.2V233 W234 R252 F253T229-V233 HydrophobicContact CG2-CB 3.88Å; T229-V233 HydrophobicContact CG2-CG1 4.01Å; T229-W234 HydrophobicContact CG2-CD2 4Å; T229-W234 HydrophobicContact CG2-CE3 4.44Å; T229-W234 HydrophobicContact CG2-CH2 4.1Å; T229-W234 HydrophobicContact CG2-CZ2 3.64Å; T229-W234 HydrophobicContact CG2-CZ3 4.48Å; T229-R252 PolarHBondContact N-O 2.72Å; T229-F253 PolarHBondContact O-N 2.7Å
230A91.1Very high91.8Very high10 Ų1033.3 Ų33.38%0.08320%0.2CC..  trans-63.4133.9176.100000110.9Y225 Y232 V233Y225-A230 HydrophobicContact CD2-CB 3.42Å; Y225-A230 VanDerWaalsContact CD2-CB 3.42Å; Y225-A230 HydrophobicContact CE2-CB 4.24Å; Y225-A230 HydrophobicContact CG-CB 3.72Å; A230-Y232 VanDerWaalsContact C-N 3.27Å; A230-Y232 HydrophobicContact CB-CD1 4.02Å; A230-Y232 HydrophobicContact CB-CE1 3.36Å; A230-Y232 HydrophobicContact CB-CE2 4.31Å; A230-Y232 PolarHBondContact O-N 3.18Å; A230-Y232 VanDerWaalsContact O-N 3.11Å; A230-V233 HydrophobicContact CB-CG2 4.06Å; A230-V233 VanDerWaalsContact O-CB 3.28Å; A230-V233 WeakPolarHBondContact O-CB 3.42Å; A230-V233 PolarHBondContact O-N 2.94Å
231P92.9Very high92Very high0 Ų032.4 Ų32.40%020%0.195CC..G310 helixtrans-54.5-35.2-170.9-30.235.8000115.7Y225 V233 W234 F253 Q255 W257 V258Y225-P231 HydrophobicContact CD1-CG 4.42Å; Y225-P231 VanDerWaalsContact CE1-CD 3.47Å; Y225-P231 HydrophobicContact CE1-CG 3.92Å; P231-V233 VanDerWaalsContact C-N 3.26Å; P231-V233 PolarHBondContact O-N 2.89Å; P231-W234 PolarHBondContact O-N 3.44Å; P231-F253 HydrophobicContact CG-CB 4.17Å; P231-Q255 HydrophobicContact CB-CB 3.98Å; P231-Q255 HydrophobicContact CB-CG 3.68Å; P231-Q255 HydrophobicContact CG-CB 4.45Å; P231-Q255 HydrophobicContact CG-CG 3.66Å; P231-W257 HydrophobicContact CB-CZ2 3.98Å; P231-W257 PolarHBondContact O-NE1 3.04Å; P231-V258 HydrophobicContact CB-CG2 4.3Å
232Y87.4Confident92.2Very high15 Ų1532.8 Ų32.86%0.05920%0.199CC..G310 helixtrans-71.8-17.3-179.458.2-93.7000113.5K167 Y225 A230 D539 I650 K655K167-Y232 PolarHBondContact NZ-O 2.97Å; Y225-Y232 HydrophobicContact CD2-CE1 4.15Å; Y225-Y232 HydrophobicContact CE2-CE1 4.07Å; A230-Y232 VanDerWaalsContact C-N 3.27Å; A230-Y232 HydrophobicContact CB-CD1 4.02Å; A230-Y232 HydrophobicContact CB-CE1 3.36Å; A230-Y232 HydrophobicContact CB-CE2 4.31Å; A230-Y232 PolarHBondContact O-N 3.18Å; A230-Y232 VanDerWaalsContact O-N 3.11Å; Y232-D539 WeakPolarHBondContact CE1-O 3.33Å; Y232-D539 PolarHBondContact OH-OD1 3.19Å; Y232-D539 VanDerWaalsContact OH-OD1 3.1Å; Y232-D539 PolarHBondContact OH-OD2 3.4Å; Y232-I650 HydrophobicContact CD2-CD1 4.5Å; Y232-I650 HydrophobicContact CD2-CG2 4.1Å; Y232-I650 HydrophobicContact CE2-CB 4.24Å; Y232-I650 HydrophobicContact CE2-CD1 3.91Å; Y232-I650 HydrophobicContact CE2-CG2 4.2Å; Y232-K655 HydrophobicContact CD2-CD 4.31Å; Y232-K655 HydrophobicContact CE1-CD 4.25Å; Y232-K655 HydrophobicContact CE2-CD 3.99Å; Y232-K655 PolarHBondContact OH-NZ 2.81Å
233V86.8Confident92.6Very high26 Ų2633.1 Ų33.116%0.15819%0.194CC..G310 helixtrans-68.6-38.9176.8176.50000110.9T229 A230 P231 A235 K648 I650T229-V233 HydrophobicContact CG2-CB 3.88Å; T229-V233 HydrophobicContact CG2-CG1 4.01Å; A230-V233 HydrophobicContact CB-CG2 4.06Å; A230-V233 VanDerWaalsContact O-CB 3.28Å; A230-V233 WeakPolarHBondContact O-CB 3.42Å; A230-V233 PolarHBondContact O-N 2.94Å; P231-V233 VanDerWaalsContact C-N 3.26Å; P231-V233 PolarHBondContact O-N 2.89Å; V233-A235 PolarHBondContact O-N 3.19Å; V233-K648 PolarHBondContact O-NZ 3.21Å; V233-I650 HydrophobicContact CG2-CD1 3.81Å
234W89.8Confident93.1Very high26 Ų2632.8 Ų32.810%0.09819%0.191CC..  trans-58.4137.3-177.5-60.6118.8000112.2K167 W169 T229 P231 P239 I240 V251 F253 V258 K648K167-W234 WeakPolarHBondContact CE-O 3.18Å; K167-W234 PolarHBondContact NZ-O 3.34Å; W169-W234 HydrophobicContact CH2-CB 3.69Å; W169-W234 HydrophobicContact CZ3-CB 3.94Å; W169-W234 WeakPolarHBondContact CZ3-O 3.41Å; T229-W234 HydrophobicContact CG2-CD2 4Å; T229-W234 HydrophobicContact CG2-CE3 4.44Å; T229-W234 HydrophobicContact CG2-CH2 4.1Å; T229-W234 HydrophobicContact CG2-CZ2 3.64Å; T229-W234 HydrophobicContact CG2-CZ3 4.48Å; P231-W234 PolarHBondContact O-N 3.44Å; W234-P239 HydrophobicContact CE3-CG 4.14Å; W234-P239 HydrophobicContact CZ3-CB 4.07Å; W234-P239 HydrophobicContact CZ3-CG 3.81Å; W234-I240 HydrophobicContact CD2-CD1 3.83Å; W234-I240 HydrophobicContact CD2-CG1 3.95Å; W234-I240 HydrophobicContact CE3-CD1 4.16Å; W234-I240 HydrophobicContact CE3-CG1 3.89Å; W234-I240 HydrophobicContact CG-CD1 4.04Å; W234-I240 HydrophobicContact CH2-CG1 3.97Å; W234-I240 HydrophobicContact CZ2-CG1 3.99Å; W234-I240 HydrophobicContact CZ3-CG1 3.92Å; W234-V251 HydrophobicContact CH2-CG1 4.36Å; W234-V251 HydrophobicContact CZ2-CG1 3.97Å; W234-F253 PolarHBondContact NE1-O 3.31Å; W234-V258 HydrophobicContact CB-CG2 4.45Å; W234-V258 HydrophobicContact CG-CG1 4.34Å; W234-K648 PolarHBondContact O-NZ 3.41Å; W234-K648 VanDerWaalsContact O-NZ 3.14Å
235A87.9Confident93.4Very high1 Ų130.5 Ų30.51%0.00818%0.175CC..  trans-131.37.5163.400000112.8W169 T170 V233 E608W169-A235 CarbonylContact C-O 3.56Å; W169-A235 WeakPolarHBondContact CA-O 3.43Å; T170-A235 PolarHBondContact N-O 2.86Å; V233-A235 PolarHBondContact O-N 3.19Å; A235-E608 VanDerWaalsContact C-OE1 3.3Å; A235-E608 VanDerWaalsContact CB-CD 3.45Å; A235-E608 WeakPolarHBondContact CB-OE2 3.02Å
236S91.1Very high93.6Very high6 Ų635.5 Ų35.54%0.04220%0.202CC..BIsolated β-bridgetrans-147.5143.1-178.4178.30000112.6W169 T170 V238 P239 E608W169-S236 VanDerWaalsContact CZ2-C 3.43Å; T170-S236 VanDerWaalsContact O-CA 3.24Å; T170-S236 WeakPolarHBondContact O-CA 3.35Å; T170-S236 PolarHBondContact O-OG 3.23Å; S236-V238 VanDerWaalsContact C-N 3.34Å; S236-V238 WeakPolarHBondContact OG-CB 3.38Å; S236-V238 WeakPolarHBondContact OG-CG2 3.18Å; S236-V238 PolarHBondContact OG-N 3.1Å; S236-P239 WeakPolarHBondContact OG-CD 3.45Å; S236-E608 WeakPolarHBondContact CB-OE1 2.9Å; S236-E608 PolarHBondContact N-OE1 2.82Å
237S97.4Very high93.9Very high0 Ų034.6 Ų34.60%019%0.192CC..Hα-helixtrans-78.7-21.2171-60.90000112.7W169 T170 I240 L241 G261 V262 T265W169-S237 PolarHBondContact NE1-OG 3.48Å; T170-S237 PolarHBondContact O-N 3.14Å; S237-I240 PolarHBondContact O-N 3.1Å; S237-L241 PolarHBondContact O-N 3.16Å; S237-G261 PolarHBondContact OG-O 3.29Å; S237-V262 WeakPolarHBondContact OG-CA 3.18Å; S237-V262 PolarHBondContact OG-N 3.48Å; S237-T265 WeakPolarHBondContact CB-OG1 3.35Å; S237-T265 PolarHBondContact OG-OG1 3.02Å
238V95Very high93.9Very high16 Ų1633.5 Ų33.510%0.09718%0.179CC..Hα-helixtrans-58.6-55.9-175.8179.60000112.6E175 I178 S236 I240 L241 Q242E175-V238 HydrophobicContact CB-CG1 3.95Å; E175-V238 HydrophobicContact CB-CG2 4.14Å; E175-V238 HydrophobicContact CG-CG1 4.27Å; E175-V238 HydrophobicContact CG-CG2 3.96Å; I178-V238 HydrophobicContact CD1-CG1 4.39Å; S236-V238 VanDerWaalsContact C-N 3.34Å; S236-V238 WeakPolarHBondContact OG-CB 3.38Å; S236-V238 WeakPolarHBondContact OG-CG2 3.18Å; S236-V238 PolarHBondContact OG-N 3.1Å; V238-I240 VanDerWaalsContact C-N 3.27Å; V238-I240 PolarHBondContact O-N 3.32Å; V238-L241 PolarHBondContact O-N 3.41Å; V238-Q242 HydrophobicContact CG1-CG 4.2Å; V238-Q242 VanDerWaalsContact O-CB 3.3Å; V238-Q242 WeakPolarHBondContact O-CB 3.42Å; V238-Q242 VanDerWaalsContact O-CG 3.29Å; V238-Q242 WeakPolarHBondContact O-CG 3.3Å; V238-Q242 PolarHBondContact O-N 3.01Å
239P94.6Very high94Very high51 Ų5137.5 Ų37.533%0.33119%0.189SC..Hα-helixtrans-62.3-35.6-17924.3-34000112.2W234 S236 Q243W234-P239 HydrophobicContact CE3-CG 4.14Å; W234-P239 HydrophobicContact CZ3-CB 4.07Å; W234-P239 HydrophobicContact CZ3-CG 3.81Å; S236-P239 WeakPolarHBondContact OG-CD 3.45Å; P239-Q243 WeakPolarHBondContact O-CB 3.35Å; P239-Q243 PolarHBondContact O-N 3.19Å
240I98Very high94.2Very high0 Ų037.7 Ų37.70%019%0.191CC..Hα-helixtrans-63.4-54.6178.7-60.3171.9000110.3V216 L217 W234 S237 V238 Q243 H244 V251 V258 V262V216-I240 HydrophobicContact CG1-CG2 3.9Å; L217-I240 HydrophobicContact CD1-CG2 4.03Å; W234-I240 HydrophobicContact CD2-CD1 3.83Å; W234-I240 HydrophobicContact CD2-CG1 3.95Å; W234-I240 HydrophobicContact CE3-CD1 4.16Å; W234-I240 HydrophobicContact CE3-CG1 3.89Å; W234-I240 HydrophobicContact CG-CD1 4.04Å; W234-I240 HydrophobicContact CH2-CG1 3.97Å; W234-I240 HydrophobicContact CZ2-CG1 3.99Å; W234-I240 HydrophobicContact CZ3-CG1 3.92Å; S237-I240 PolarHBondContact O-N 3.1Å; V238-I240 VanDerWaalsContact C-N 3.27Å; V238-I240 PolarHBondContact O-N 3.32Å; I240-Q243 PolarHBondContact O-N 2.99Å; I240-H244 PolarHBondContact O-N 3.06Å; I240-V251 HydrophobicContact CG2-CB 4.12Å; I240-V251 HydrophobicContact CG2-CG1 4.18Å; I240-V251 HydrophobicContact CG2-CG2 4.28Å; I240-V251 WeakPolarHBondContact O-CG2 3.29Å; I240-V258 HydrophobicContact CD1-CG1 3.52Å; I240-V262 HydrophobicContact CB-CG2 4.35Å; I240-V262 HydrophobicContact CD1-CG2 3.8Å; I240-V262 HydrophobicContact CG2-CG2 4.11Å
241L98.3Very high94.5Very high0 Ų037.2 Ų37.20%019%0.187CC..Hα-helixtrans-68.3-37.6-177.5-72.3170.8000112.2I178 V216 S237 V238 Y245 V262 T265I178-L241 HydrophobicContact CD1-CB 3.61Å; I178-L241 HydrophobicContact CD1-CD1 4.17Å; I178-L241 HydrophobicContact CG2-CD1 4.08Å; V216-L241 HydrophobicContact CG1-CD2 4.07Å; V216-L241 HydrophobicContact CG2-CD2 4.31Å; S237-L241 PolarHBondContact O-N 3.16Å; V238-L241 PolarHBondContact O-N 3.41Å; L241-Y245 VanDerWaalsContact O-CB 3.24Å; L241-Y245 WeakPolarHBondContact O-CB 3.48Å; L241-Y245 PolarHBondContact O-N 3.41Å; L241-V262 HydrophobicContact CD1-CG1 4.02Å; L241-V262 HydrophobicContact CD2-CG1 3.59Å; L241-V262 HydrophobicContact CG-CG1 3.72Å; L241-T265 HydrophobicContact CD1-CG2 3.75Å
242Q97.4Very high94.7Very high50 Ų5043.3 Ų43.323%0.23421%0.21CC..Hα-helixtrans-65.6-44.9175.4-74.1-179.6-20.200111.7K176 I178 V238 Y245 I246K176-Q242 PolarHBondContact O-NE2 3Å; I178-Q242 HydrophobicContact CD1-CG 4.06Å; V238-Q242 HydrophobicContact CG1-CG 4.2Å; V238-Q242 VanDerWaalsContact O-CB 3.3Å; V238-Q242 WeakPolarHBondContact O-CB 3.42Å; V238-Q242 VanDerWaalsContact O-CG 3.29Å; V238-Q242 WeakPolarHBondContact O-CG 3.3Å; V238-Q242 PolarHBondContact O-N 3.01Å; Q242-Y245 PolarHBondContact O-N 3.42Å; Q242-I246 WeakPolarHBondContact O-CB 3.47Å; Q242-I246 VanDerWaalsContact O-CG1 3.3Å; Q242-I246 WeakPolarHBondContact O-CG1 3.31Å; Q242-I246 PolarHBondContact O-N 3.31Å
243Q97.1Very high95.2Very high89 Ų8943.5 Ų43.542%0.41621%0.211SC..Hα-helixtrans-61.1-46.5177.3-179.2178.1-8.300111.1P239 I240 Y245 I246 T247 V251P239-Q243 WeakPolarHBondContact O-CB 3.35Å; P239-Q243 PolarHBondContact O-N 3.19Å; I240-Q243 PolarHBondContact O-N 2.99Å; Q243-Y245 VanDerWaalsContact C-N 3.33Å; Q243-Y245 PolarHBondContact O-N 2.82Å; Q243-I246 PolarHBondContact O-N 3.47Å; Q243-T247 HydrophobicContact CG-CG2 4.26Å; Q243-T247 WeakPolarHBondContact O-CB 3.28Å; Q243-T247 WeakPolarHBondContact O-CG2 3.43Å; Q243-T247 PolarHBondContact O-N 3.04Å; Q243-T247 PolarHBondContact O-OG1 3.08Å; Q243-V251 HydrophobicContact CB-CG2 4.07Å; Q243-V251 HydrophobicContact CG-CG2 4.03Å
244H97.6Very high95.7Very high1 Ų142.3 Ų42.31%0.00520%0.204CC..Hα-helixtrans-61.5-43175.6-178.174.6000111.5G215 V216 I240 I246 R248 M249 V251G215-H244 PolarHBondContact O-CE1 3.45Å; V216-H244 HydrophobicContact CG1-CB 4.09Å; I240-H244 PolarHBondContact O-N 3.06Å; H244-I246 PolarHBondContact O-N 3.37Å; H244-R248 WeakPolarHBondContact O-CA 3.3Å; H244-R248 PolarHBondContact O-N 3.07Å; H244-M249 PolarHBondContact ND1-O 3.27Å; H244-V251 HydrophobicContact CB-CG2 4.04Å
245Y96.8Very high96Very high48 Ų4841 Ų4119%0.18820%0.199CC..Hα-helixtrans-63.7-38.6178.3-175.6-103000112.7Y177 N180 C181 L241 Q242 Q243 R248Y177-Y245 HydrophobicContact CD1-CD1 4.19Å; Y177-Y245 AromaticContact CD1-CE1 3.79Å; Y177-Y245 HydrophobicContact CD1-CE1 3.79Å; Y177-Y245 HydrophobicContact CD2-CD1 4.29Å; Y177-Y245 HydrophobicContact CE1-CE1 4.46Å; Y177-Y245 AromaticContact CG-CD1 3.8Å; Y177-Y245 HydrophobicContact CG-CD1 3.8Å; Y177-Y245 AromaticContact CG-CE1 3.9Å; Y177-Y245 HydrophobicContact CG-CE1 3.9Å; N180-Y245 HydrophobicContact CB-CE2 3.85Å; C181-Y245 HydrophobicContact CB-CD2 3.77Å; C181-Y245 HydrophobicContact CB-CG 4.14Å; L241-Y245 VanDerWaalsContact O-CB 3.24Å; L241-Y245 WeakPolarHBondContact O-CB 3.48Å; L241-Y245 PolarHBondContact O-N 3.41Å; Q242-Y245 PolarHBondContact O-N 3.42Å; Q243-Y245 VanDerWaalsContact C-N 3.33Å; Q243-Y245 PolarHBondContact O-N 2.82Å; Y245-R248 VanDerWaalsContact O-CD 3.24Å; Y245-R248 WeakPolarHBondContact O-CD 3.11Å; Y245-R248 PolarHBondContact O-NE 2.84Å; Y245-R248 PolarHBondContact O-NH1 3.36Å
246I96.9Very high96.4Very high114 Ų11441 Ų4159%0.58520%0.199SC*.Hα-helixtrans-77.3-49.1-178.4-68.1165000110.6Y177 Q242 Q243 H244Y177-I246 HydrophobicContact CD2-CD1 4.45Å; Y177-I246 HydrophobicContact CE2-CD1 4.37Å; Q242-I246 WeakPolarHBondContact O-CB 3.47Å; Q242-I246 VanDerWaalsContact O-CG1 3.3Å; Q242-I246 WeakPolarHBondContact O-CG1 3.31Å; Q242-I246 PolarHBondContact O-N 3.31Å; Q243-I246 PolarHBondContact O-N 3.47Å; H244-I246 PolarHBondContact O-N 3.37Å
247T96.2Very high96.7Very high68 Ų6841 Ų4142%0.41720%0.198SC..Hα-helixtrans-85.1-21.4-171.564.20000113.5Q243 M249Q243-T247 HydrophobicContact CG-CG2 4.26Å; Q243-T247 WeakPolarHBondContact O-CB 3.28Å; Q243-T247 WeakPolarHBondContact O-CG2 3.43Å; Q243-T247 PolarHBondContact O-N 3.04Å; Q243-T247 PolarHBondContact O-OG1 3.08Å; T247-M249 PolarHBondContact O-N 3.42Å; T247-M249 PolarHBondContact OG1-N 2.89Å
248R93.9Very high96.7Very high102 Ų10241 Ų4139%0.38520%0.198SC..  trans62.312-170.4-45.2-45.5-161.9179.3-10114.2R184 H244 Y245R184-R248 VanDerWaalsContact NH1-CD 3.34Å; H244-R248 WeakPolarHBondContact O-CA 3.3Å; H244-R248 PolarHBondContact O-N 3.07Å; Y245-R248 VanDerWaalsContact O-CD 3.24Å; Y245-R248 WeakPolarHBondContact O-CD 3.11Å; Y245-R248 PolarHBondContact O-NE 2.84Å; Y245-R248 PolarHBondContact O-NH1 3.36Å
249M95.8Very high96.9Very high121 Ų12140.2 Ų40.260%0.59619%0.193SC*.SBendtrans-104.3150.4-179.4-64-59.5-68.400111H244 T247H244-M249 PolarHBondContact ND1-O 3.27Å; T247-M249 PolarHBondContact O-N 3.42Å; T247-M249 PolarHBondContact OG1-N 2.89Å
250P96.7Very high97.1Very high47 Ų4737.8 Ų37.831%0.30518%0.177SC..  trans-57.2138.7168.6-26.536.1000112.2A210 V216 V218A210-P250 HydrophobicContact CB-CB 3.7Å; A210-P250 HydrophobicContact CB-CG 4Å; V216-P250 CarbonylContact O-C 3.56Å; V216-P250 WeakPolarHBondContact O-CA 2.86Å; V218-P250 HydrophobicContact CG2-CB 3.57Å
251V98Very high97.1Very high0 Ų037.8 Ų37.80%018%0.177CC..EExtended strand (participates in β ladder)trans-88.8138.9176.4-178.80000109.3V216 L217 V218 W234 I240 Q243 H244V216-V251 PolarHBondContact O-N 2.95Å; L217-V251 HydrophobicContact CD1-CB 4.23Å; L217-V251 HydrophobicContact CD1-CG1 4.35Å; V218-V251 PolarHBondContact N-O 2.87Å; W234-V251 HydrophobicContact CH2-CG1 4.36Å; W234-V251 HydrophobicContact CZ2-CG1 3.97Å; I240-V251 HydrophobicContact CG2-CB 4.12Å; I240-V251 HydrophobicContact CG2-CG1 4.18Å; I240-V251 HydrophobicContact CG2-CG2 4.28Å; I240-V251 WeakPolarHBondContact O-CG2 3.29Å; Q243-V251 HydrophobicContact CB-CG2 4.07Å; Q243-V251 HydrophobicContact CG-CG2 4.03Å; H244-V251 HydrophobicContact CB-CG2 4.04Å
252R97.1Very high97.1Very high128 Ų12837.8 Ų37.848%0.48318%0.177SC..EExtended strand (participates in β ladder)trans-115131.5-179.8-69.2176.7179.2173.6-0.6109.4V218 T229V218-R252 HydrophobicContact CB-CG 3.92Å; V218-R252 HydrophobicContact CG1-CG 4.43Å; V218-R252 HydrophobicContact CG2-CG 3.82Å; T229-R252 PolarHBondContact N-O 2.72Å
253F97Very high97.2Very high20 Ų2035.4 Ų35.49%0.08817%0.166CC..EExtended strand (participates in β ladder)cis-125.8167.3-8-63.5-75.9000111.3V218 N220 Y225 T229 P231 W234V218-F253 HydrophobicContact CB-CD1 4.04Å; V218-F253 HydrophobicContact CB-CE1 4.41Å; V218-F253 HydrophobicContact CG1-CD1 3.86Å; V218-F253 HydrophobicContact CG1-CE1 3.92Å; V218-F253 CarbonylContact O-C 3.59Å; V218-F253 VanDerWaalsContact O-CA 3.28Å; V218-F253 WeakPolarHBondContact O-CA 3.25Å; N220-F253 HydrophobicContact CB-CB 3.75Å; N220-F253 HydrophobicContact CB-CD1 3.45Å; N220-F253 VanDerWaalsContact CB-CD1 3.45Å; N220-F253 HydrophobicContact CB-CD2 4.33Å; N220-F253 HydrophobicContact CB-CE1 4.08Å; N220-F253 HydrophobicContact CB-CG 3.59Å; Y225-F253 AromaticContact CD1-CD2 3.95Å; Y225-F253 HydrophobicContact CD1-CD2 3.95Å; Y225-F253 HydrophobicContact CD1-CG 4.48Å; T229-F253 PolarHBondContact O-N 2.7Å; P231-F253 HydrophobicContact CG-CB 4.17Å; W234-F253 PolarHBondContact NE1-O 3.31Å
254G96.9Very high97.3Very high0 Ų031.2 Ų31.20%015%0.147CC..EExtended strand (participates in β ladder)trans-128.2158.5176.100000113.3V218 G219 N220V218-G254 PolarHBondContact O-N 3.16Å; G219-G254 WeakPolarHBondContact CA-O 3.13Å; N220-G254 PolarHBondContact N-O 3.47Å
255Q96.3Very high97.4Very high0 Ų031.1 Ų31.10%015%0.146CC..  trans-132.9-179.1165-72.6-176.93.600109N220 W221 Y225 P231 W257 V258 F259 Y498 D540N220-Q255 VanDerWaalsContact O-CG 3.31Å; N220-Q255 WeakPolarHBondContact O-CG 3.3Å; N220-Q255 PolarHBondContact O-NE2 3.31Å; W221-Q255 HydrophobicContact CD2-CG 3.91Å; W221-Q255 HydrophobicContact CG-CG 4.2Å; W221-Q255 VanDerWaalsContact CZ2-CA 3.5Å; W221-Q255 HydrophobicContact CZ2-CB 3.82Å; W221-Q255 HydrophobicContact CZ2-CG 3.92Å; Y225-Q255 PolarHBondContact OH-NE2 3.48Å; P231-Q255 HydrophobicContact CB-CB 3.98Å; P231-Q255 HydrophobicContact CB-CG 3.68Å; P231-Q255 HydrophobicContact CG-CB 4.45Å; P231-Q255 HydrophobicContact CG-CG 3.66Å; Q255-W257 HydrophobicContact CB-CD2 4.47Å; Q255-W257 HydrophobicContact CB-CE3 4.05Å; Q255-W257 HydrophobicContact CB-CH2 3.93Å; Q255-W257 HydrophobicContact CB-CZ2 4.27Å; Q255-W257 HydrophobicContact CB-CZ3 3.79Å; Q255-W257 HydrophobicContact CG-CH2 4.44Å; Q255-W257 PolarHBondContact O-N 2.61Å; Q255-V258 WeakPolarHBondContact O-CA 3.33Å; Q255-V258 WeakPolarHBondContact O-CB 3.27Å; Q255-V258 PolarHBondContact O-N 3.05Å; Q255-F259 VanDerWaalsContact O-CD2 3.3Å; Q255-F259 WeakPolarHBondContact O-CD2 3.45Å; Q255-F259 PolarHBondContact O-N 3.07Å; Q255-Y498 WeakPolarHBondContact CB-OH 3.38Å; Q255-Y498 PolarHBondContact OE1-OH 2.93Å; Q255-D540 PolarHBondContact NE2-OD2 2.85Å
256C96.9Very high97.5Very high0 Ų028.9 Ų28.90%014%0.137CC..Hα-helixtrans-51.6-45.9-166.256.40000114.2V258 F259 S260 W312 H315 T340C256-V258 VanDerWaalsContact C-N 3.33Å; C256-V258 PolarHBondContact O-N 3.21Å; C256-F259 WeakPolarHBondContact O-CB 3.43Å; C256-F259 PolarHBondContact O-N 3.06Å; C256-S260 PolarHBondContact O-N 2.92Å; C256-W312 HydrophobicContact CB-CZ3 4.43Å; C256-H315 VanDerWaalsContact CB-CE1 3.49Å; C256-H315 WeakPolarHBondContact CB-CE1 3.47Å; C256-H315 WeakPolarHBondContact CB-ND1 3.4Å; C256-T340 HydrophobicContact CB-CG2 4.12Å
257W97.1Very high97.6Very high5 Ų523.4 Ų23.42%0.01911%0.109CC..Hα-helixtrans-64.6-34.8177.268.586.4000113.2M156 M158 P231 Q255 G261 F314 V316 Y498M156-W257 WeakPolarHBondContact CE-O 3.41Å; M156-W257 HydrophobicContact SD-CB 3.8Å; M156-W257 VanDerWaalsContact SD-O 3.34Å; M158-W257 HydrophobicContact CE-CD2 3.68Å; M158-W257 HydrophobicContact CE-CE3 3.57Å; M158-W257 HydrophobicContact CE-CG 4.36Å; M158-W257 HydrophobicContact CE-CH2 3.77Å; M158-W257 HydrophobicContact CE-CZ2 3.97Å; M158-W257 HydrophobicContact CE-CZ3 3.59Å; M158-W257 HydrophobicContact SD-CD2 4.16Å; M158-W257 HydrophobicContact SD-CE3 4.46Å; M158-W257 HydrophobicContact SD-CG 4.21Å; P231-W257 HydrophobicContact CB-CZ2 3.98Å; P231-W257 PolarHBondContact O-NE1 3.04Å; Q255-W257 HydrophobicContact CB-CD2 4.47Å; Q255-W257 HydrophobicContact CB-CE3 4.05Å; Q255-W257 HydrophobicContact CB-CH2 3.93Å; Q255-W257 HydrophobicContact CB-CZ2 4.27Å; Q255-W257 HydrophobicContact CB-CZ3 3.79Å; Q255-W257 HydrophobicContact CG-CH2 4.44Å; Q255-W257 PolarHBondContact O-N 2.61Å; W257-G261 PolarHBondContact O-N 2.97Å; W257-F314 AromaticContact CE3-CE2 3.84Å; W257-F314 HydrophobicContact CE3-CE2 3.84Å; W257-F314 AromaticContact CE3-CZ 3.93Å; W257-F314 HydrophobicContact CE3-CZ 3.93Å; W257-F314 HydrophobicContact CZ3-CE2 4.24Å; W257-F314 AromaticContact CZ3-CZ 3.87Å; W257-F314 HydrophobicContact CZ3-CZ 3.87Å; W257-V316 HydrophobicContact CB-CB 4.25Å; W257-V316 HydrophobicContact CB-CG2 3.96Å; W257-Y498 HydrophobicContact CH2-CE1 4.44Å; W257-Y498 AromaticContact CZ3-CE1 3.98Å; W257-Y498 HydrophobicContact CZ3-CE1 3.98Å; W257-Y498 HydrophobicContact CZ3-CE2 4.32Å; W257-Y498 AromaticContact CZ3-CZ 3.67Å; W257-Y498 WeakPolarHBondContact CZ3-OH 3.45Å
258V98.1Very high97.7Very high0 Ų020.4 Ų20.40%09%0.09CC..Hα-helixtrans-67.6-45.1175.6-170.70000109.2W169 L217 P231 W234 I240 Q255 C256 G261 V262W169-V258 HydrophobicContact CH2-CB 4.42Å; W169-V258 HydrophobicContact CH2-CG1 4.09Å; W169-V258 HydrophobicContact CH2-CG2 4.45Å; L217-V258 HydrophobicContact CD2-CB 4.13Å; L217-V258 HydrophobicContact CD2-CG1 3.58Å; P231-V258 HydrophobicContact CB-CG2 4.3Å; W234-V258 HydrophobicContact CB-CG2 4.45Å; W234-V258 HydrophobicContact CG-CG1 4.34Å; I240-V258 HydrophobicContact CD1-CG1 3.52Å; Q255-V258 WeakPolarHBondContact O-CA 3.33Å; Q255-V258 WeakPolarHBondContact O-CB 3.27Å; Q255-V258 PolarHBondContact O-N 3.05Å; C256-V258 VanDerWaalsContact C-N 3.33Å; C256-V258 PolarHBondContact O-N 3.21Å; V258-G261 PolarHBondContact O-N 2.83Å; V258-V262 HydrophobicContact CG1-CG2 4.43Å; V258-V262 VanDerWaalsContact O-CG2 3.23Å; V258-V262 WeakPolarHBondContact O-CG2 3.44Å; V258-V262 PolarHBondContact O-N 3.34Å
259F98.6Very high97.9Very high0 Ų015.5 Ų15.50%07%0.072CC..Hα-helixtrans-57.9-50.7174.8-81.3-68.9000111.5C209 L217 W221 Q255 C256 G261 V262 L263 S339 T340C209-F259 HydrophobicContact CB-CE1 4.29Å; L217-F259 HydrophobicContact CB-CD1 4.4Å; L217-F259 HydrophobicContact CB-CE1 3.76Å; L217-F259 HydrophobicContact CB-CZ 4.22Å; L217-F259 HydrophobicContact CD2-CD1 3.88Å; L217-F259 HydrophobicContact CD2-CD2 4.39Å; L217-F259 HydrophobicContact CD2-CE1 3.82Å; L217-F259 HydrophobicContact CD2-CE2 4.33Å; L217-F259 HydrophobicContact CD2-CG 4.15Å; L217-F259 HydrophobicContact CD2-CZ 4.05Å; L217-F259 HydrophobicContact CG-CE1 4.03Å; L217-F259 HydrophobicContact CG-CZ 4.1Å; W221-F259 HydrophobicContact CH2-CD2 4.36Å; W221-F259 AromaticContact CH2-CE2 3.97Å; W221-F259 HydrophobicContact CH2-CE2 3.97Å; Q255-F259 VanDerWaalsContact O-CD2 3.3Å; Q255-F259 WeakPolarHBondContact O-CD2 3.45Å; Q255-F259 PolarHBondContact O-N 3.07Å; C256-F259 WeakPolarHBondContact O-CB 3.43Å; C256-F259 PolarHBondContact O-N 3.06Å; F259-G261 VanDerWaalsContact C-N 3.33Å; F259-G261 PolarHBondContact O-N 2.79Å; F259-V262 PolarHBondContact O-N 3.27Å; F259-L263 VanDerWaalsContact O-CB 3.26Å; F259-L263 WeakPolarHBondContact O-CB 3.17Å; F259-L263 PolarHBondContact O-N 3.24Å; F259-S339 WeakPolarHBondContact CB-OG 3.49Å; F259-T340 HydrophobicContact CD2-CG2 4.45Å
260S98.6Very high98.1Very high0 Ų09.8 Ų9.80%04%0.044CC..Hα-helixtrans-57.6-43.2176.1175.80000112.5C256 L263 T264 S276 W317 T318C256-S260 PolarHBondContact O-N 2.92Å; S260-L263 PolarHBondContact O-N 3.18Å; S260-T264 VanDerWaalsContact O-CB 3.26Å; S260-T264 WeakPolarHBondContact O-CB 3.28Å; S260-T264 PolarHBondContact O-N 3.03Å; S260-T264 PolarHBondContact O-OG1 2.96Å; S260-S276 VanDerWaalsContact OG-CB 3.24Å; S260-S276 WeakPolarHBondContact OG-CB 3.33Å; S260-S276 PolarHBondContact OG-OG 2.87Å; S260-W317 WeakPolarHBondContact CB-O 3.39Å; S260-W317 PolarHBondContact OG-O 3.34Å; S260-T318 PolarHBondContact O-OG1 3.16Å; S260-T318 PolarHBondContact OG-OG1 2.9Å
261G98.6Very high98.2Very high0 Ų07.5 Ų7.50%03%0.029CC..Hα-helixtrans-60.6-49.6177.600000113.1S237 W257 V258 F259 T265S237-G261 PolarHBondContact OG-O 3.29Å; W257-G261 PolarHBondContact O-N 2.97Å; V258-G261 PolarHBondContact O-N 2.83Å; F259-G261 VanDerWaalsContact C-N 3.33Å; F259-G261 PolarHBondContact O-N 2.79Å; G261-T265 WeakPolarHBondContact O-CB 3.42Å; G261-T265 PolarHBondContact O-N 2.82Å; G261-T265 PolarHBondContact O-OG1 2.98Å
262V98.6Very high98.2Very high1 Ų17.5 Ų7.51%0.0063%0.029CC..Hα-helixtrans-68-39.6-179.1-173.50000111M208 V216 S237 I240 L241 V258 F259 T265 A266M208-V262 HydrophobicContact SD-CB 4.26Å; M208-V262 HydrophobicContact SD-CG1 3.52Å; M208-V262 VanDerWaalsContact SD-CG1 3.52Å; V216-V262 HydrophobicContact CG1-CG1 4.36Å; S237-V262 WeakPolarHBondContact OG-CA 3.18Å; S237-V262 PolarHBondContact OG-N 3.48Å; I240-V262 HydrophobicContact CB-CG2 4.35Å; I240-V262 HydrophobicContact CD1-CG2 3.8Å; I240-V262 HydrophobicContact CG2-CG2 4.11Å; L241-V262 HydrophobicContact CD1-CG1 4.02Å; L241-V262 HydrophobicContact CD2-CG1 3.59Å; L241-V262 HydrophobicContact CG-CG1 3.72Å; V258-V262 HydrophobicContact CG1-CG2 4.43Å; V258-V262 VanDerWaalsContact O-CG2 3.23Å; V258-V262 WeakPolarHBondContact O-CG2 3.44Å; V258-V262 PolarHBondContact O-N 3.34Å; F259-V262 PolarHBondContact O-N 3.27Å; V262-T265 WeakPolarHBondContact O-CB 3.38Å; V262-T265 PolarHBondContact O-N 2.87Å; V262-A266 PolarHBondContact O-N 2.84Å
263L98.8Very high98.3Very high0 Ų01.4 Ų1.40%01%0.006CC..Hα-helixtrans-63-49.9175178.952.5000112I204 C205 M208 F259 S260 T265 A266 L267 T318 L337I204-L263 HydrophobicContact CB-CD1 4.49Å; I204-L263 HydrophobicContact CG2-CD1 3.67Å; C205-L263 HydrophobicContact CB-CD1 4.15Å; C205-L263 HydrophobicContact CB-CD2 4.33Å; M208-L263 HydrophobicContact CG-CB 4.03Å; M208-L263 HydrophobicContact CG-CD1 4.08Å; F259-L263 VanDerWaalsContact O-CB 3.26Å; F259-L263 WeakPolarHBondContact O-CB 3.17Å; F259-L263 PolarHBondContact O-N 3.24Å; S260-L263 PolarHBondContact O-N 3.18Å; L263-T265 VanDerWaalsContact C-N 3.28Å; L263-T265 PolarHBondContact O-N 2.74Å; L263-A266 PolarHBondContact O-N 2.95Å; L263-A266 VanDerWaalsContact O-N 3.12Å; L263-L267 HydrophobicContact CD1-CD1 3.93Å; L263-L267 HydrophobicContact CD1-CG 4.06Å; L263-L267 HydrophobicContact CG-CD1 4.01Å; L263-L267 WeakPolarHBondContact O-CG 3.23Å; L263-L267 PolarHBondContact O-N 3.23Å; L263-T318 HydrophobicContact CG-CG2 4.29Å; L263-L337 HydrophobicContact CD2-CB 4Å
264T98.9Very high98.4Very high0 Ų00.5 Ų0.50%00%0.002CC..Hα-helixtrans-57.2-43.7176.6-62.80000110.9F171 S260 A266 L267 R268 A274 S276 T318F171-T264 HydrophobicContact CD1-CG2 3.88Å; F171-T264 HydrophobicContact CE1-CG2 3.48Å; F171-T264 VanDerWaalsContact CE1-CG2 3.48Å; F171-T264 HydrophobicContact CE2-CG2 4.38Å; F171-T264 HydrophobicContact CG-CG2 4.5Å; F171-T264 HydrophobicContact CZ-CG2 3.76Å; S260-T264 VanDerWaalsContact O-CB 3.26Å; S260-T264 WeakPolarHBondContact O-CB 3.28Å; S260-T264 PolarHBondContact O-N 3.03Å; S260-T264 PolarHBondContact O-OG1 2.96Å; T264-A266 PolarHBondContact O-N 2.81Å; T264-L267 PolarHBondContact O-N 3.27Å; T264-R268 HydrophobicContact CG2-CG 4.38Å; T264-R268 WeakPolarHBondContact O-CB 3.49Å; T264-R268 VanDerWaalsContact O-CG 3.31Å; T264-R268 WeakPolarHBondContact O-CG 3.49Å; T264-R268 PolarHBondContact O-N 3.21Å; T264-A274 HydrophobicContact CG2-CB 4.21Å; T264-S276 PolarHBondContact OG1-OG 3.23Å; T264-T318 VanDerWaalsContact OG1-CG2 3.27Å; T264-T318 WeakPolarHBondContact OG1-CG2 3.38Å; T264-T318 PolarHBondContact OG1-OG1 2.74Å
265T98.9Very high98.5Very high0 Ų00.8 Ų0.80%00%0.003CC..Hα-helixtrans-58.1-47.6175.7-59.10000111.7F171 Q173 I178 S237 L241 G261 V262 L263 R268 A269F171-T265 VanDerWaalsContact CA-OG1 3.27Å; F171-T265 WeakPolarHBondContact CA-OG1 3.43Å; F171-T265 WeakPolarHBondContact CB-OG1 3.35Å; F171-T265 WeakPolarHBondContact CD1-OG1 3.44Å; F171-T265 WeakPolarHBondContact O-CG2 3.43Å; F171-T265 PolarHBondContact O-OG1 3.27Å; Q173-T265 HydrophobicContact CB-CG2 4.2Å; I178-T265 HydrophobicContact CG2-CG2 3.95Å; S237-T265 WeakPolarHBondContact CB-OG1 3.35Å; S237-T265 PolarHBondContact OG-OG1 3.02Å; L241-T265 HydrophobicContact CD1-CG2 3.75Å; G261-T265 WeakPolarHBondContact O-CB 3.42Å; G261-T265 PolarHBondContact O-N 2.82Å; G261-T265 PolarHBondContact O-OG1 2.98Å; V262-T265 WeakPolarHBondContact O-CB 3.38Å; V262-T265 PolarHBondContact O-N 2.87Å; L263-T265 VanDerWaalsContact C-N 3.28Å; L263-T265 PolarHBondContact O-N 2.74Å; T265-R268 PolarHBondContact O-N 2.98Å; T265-A269 VanDerWaalsContact O-CB 3.26Å; T265-A269 WeakPolarHBondContact O-CB 3.44Å; T265-A269 PolarHBondContact O-N 3.41Å
266A98.8Very high98.6Very high0 Ų01.1 Ų1.10%01%0.005CC..Hα-helixtrans-67.2-39.4-177.200000112.7I204 M208 V262 L263 T264 A269 V270I204-A266 HydrophobicContact CG2-CB 3.5Å; I204-A266 VanDerWaalsContact CG2-CB 3.5Å; M208-A266 HydrophobicContact CE-CB 4.25Å; M208-A266 HydrophobicContact SD-CB 4.35Å; V262-A266 PolarHBondContact O-N 2.84Å; L263-A266 PolarHBondContact O-N 2.95Å; L263-A266 VanDerWaalsContact O-N 3.12Å; T264-A266 PolarHBondContact O-N 2.81Å; A266-A269 PolarHBondContact O-N 3.48Å; A266-V270 PolarHBondContact O-N 3.37Å
267L98.9Very high98.7Very high0 Ų01.1 Ų1.10%01%0.005CC..Hα-helixtrans-64.9-48.1175.4-67.9169.1000111.6I204 L263 T264 A269 V270 G271 I272 A274 T318 A320 L337I204-L267 HydrophobicContact CB-CD2 4.47Å; I204-L267 HydrophobicContact CD1-CD2 4.13Å; I204-L267 HydrophobicContact CG2-CD2 4.44Å; L263-L267 HydrophobicContact CD1-CD1 3.93Å; L263-L267 HydrophobicContact CD1-CG 4.06Å; L263-L267 HydrophobicContact CG-CD1 4.01Å; L263-L267 WeakPolarHBondContact O-CG 3.23Å; L263-L267 PolarHBondContact O-N 3.23Å; T264-L267 PolarHBondContact O-N 3.27Å; L267-A269 VanDerWaalsContact C-N 3.31Å; L267-A269 PolarHBondContact O-N 2.94Å; L267-V270 VanDerWaalsContact O-CG2 3.23Å; L267-V270 WeakPolarHBondContact O-CG2 3.41Å; L267-V270 PolarHBondContact O-N 3.17Å; L267-G271 PolarHBondContact O-N 3.14Å; L267-I272 CarbonylContact C-O 3.46Å; L267-I272 HydrophobicContact CB-CB 4.3Å; L267-I272 HydrophobicContact CD2-CB 4.45Å; L267-I272 HydrophobicContact CD2-CD1 3.99Å; L267-I272 HydrophobicContact CD2-CG2 4.49Å; L267-I272 PolarHBondContact O-N 3.18Å; L267-A274 HydrophobicContact CB-CB 3.8Å; L267-A274 HydrophobicContact CD1-CB 3.95Å; L267-T318 HydrophobicContact CD1-CG2 3.69Å; L267-A320 HydrophobicContact CD1-CB 4.13Å; L267-L337 HydrophobicContact CD1-CD1 3.98Å
268R98.9Very high98.8Very high4 Ų41 Ų12%0.0151%0.005CC..Hα-helixtrans-60.6-41176.1-70.7-175.5-177.9-171.7-0.2111.7E147 Y148 N151 Q173 T264 T265 V270 G271 A274E147-R268 PolarHBondContact O-NH1 2.81Å; E147-R268 PolarHBondContact O-NH2 3.37Å; Y148-R268 WeakPolarHBondContact O-CG 3.28Å; Y148-R268 PolarHBondContact O-NE 2.88Å; N151-R268 PolarHBondContact O-NH1 3.1Å; Q173-R268 HydrophobicContact CB-CB 4.29Å; Q173-R268 HydrophobicContact CG-CB 4.1Å; T264-R268 HydrophobicContact CG2-CG 4.38Å; T264-R268 WeakPolarHBondContact O-CB 3.49Å; T264-R268 VanDerWaalsContact O-CG 3.31Å; T264-R268 WeakPolarHBondContact O-CG 3.49Å; T264-R268 PolarHBondContact O-N 3.21Å; T265-R268 PolarHBondContact O-N 2.98Å; R268-V270 VanDerWaalsContact C-N 3.29Å; R268-V270 PolarHBondContact O-N 2.78Å; R268-G271 PolarHBondContact O-N 2.99Å; R268-A274 HydrophobicContact CG-CB 4.34Å; R268-A274 VanDerWaalsContact CZ-O 3.25Å; R268-A274 PolarHBondContact NE-O 2.85Å; R268-A274 PolarHBondContact NH2-O 2.84Å
269A98.8Very high98.8Very high0 Ų01 Ų10%01%0.005CC..Hα-helixtrans-58.4-39.5178.600000112.4Y28 Q173 I178 L179 T265 A266 L267 G271Y28-A269 PolarHBondContact OH-O 3.13Å; Q173-A269 HydrophobicContact CB-CB 3.97Å; I178-A269 HydrophobicContact CG2-CB 4.3Å; L179-A269 HydrophobicContact CD1-CB 4.46Å; L179-A269 VanDerWaalsContact CD1-O 3.25Å; L179-A269 WeakPolarHBondContact CD1-O 3.49Å; T265-A269 VanDerWaalsContact O-CB 3.26Å; T265-A269 WeakPolarHBondContact O-CB 3.44Å; T265-A269 PolarHBondContact O-N 3.41Å; A266-A269 PolarHBondContact O-N 3.48Å; L267-A269 VanDerWaalsContact C-N 3.31Å; L267-A269 PolarHBondContact O-N 2.94Å; A269-G271 VanDerWaalsContact C-N 3.32Å
270V98.8Very high98.7Very high0 Ų01 Ų10%01%0.005CC..Hα-helixtrans-86.1-1.9177.8-57.20000113.8L127 F128 C182 F183 I204 A266 L267 R268 I272L127-V270 WeakPolarHBondContact CB-O 3.31Å; F128-V270 HydrophobicContact CD2-CG2 4.35Å; F128-V270 WeakPolarHBondContact CD2-O 3.48Å; F128-V270 PolarHBondContact N-O 3Å; C182-V270 HydrophobicContact CB-CG1 3.9Å; F183-V270 HydrophobicContact CE1-CG1 4.14Å; F183-V270 HydrophobicContact CE2-CG1 4.48Å; F183-V270 HydrophobicContact CZ-CB 4.41Å; F183-V270 HydrophobicContact CZ-CG1 4.1Å; I204-V270 HydrophobicContact CD1-CG1 4.26Å; I204-V270 HydrophobicContact CD1-CG2 3.77Å; A266-V270 PolarHBondContact O-N 3.37Å; L267-V270 VanDerWaalsContact O-CG2 3.23Å; L267-V270 WeakPolarHBondContact O-CG2 3.41Å; L267-V270 PolarHBondContact O-N 3.17Å; R268-V270 VanDerWaalsContact C-N 3.29Å; R268-V270 PolarHBondContact O-N 2.78Å; V270-I272 HydrophobicContact CG2-CD1 4.07Å; V270-I272 HydrophobicContact CG2-CG1 4.11Å
271G98.8Very high98.5Very high0 Ų02 Ų20%01%0.01CC..THydrogen-bonded Turntrans93.614.6175.500000115.7P130 L267 R268 A269P130-G271 WeakPolarHBondContact CD-O 3.32Å; P130-G271 WeakPolarHBondContact CG-O 3.3Å; L267-G271 PolarHBondContact O-N 3.14Å; R268-G271 PolarHBondContact O-N 2.99Å; A269-G271 VanDerWaalsContact C-N 3.32Å
272I98.9Very high98.3Very high0 Ų02.1 Ų2.10%01%0.01CC..  trans-88.8121.4172.3-60.1172.5000107.8F128 V137 P197 V200 L267 V270 A274 A320 M322F128-I272 HydrophobicContact CB-CG1 4.42Å; F128-I272 HydrophobicContact CD2-CD1 3.96Å; F128-I272 HydrophobicContact CD2-CG1 3.56Å; F128-I272 HydrophobicContact CE2-CD1 3.82Å; F128-I272 HydrophobicContact CE2-CG1 3.96Å; F128-I272 HydrophobicContact CG-CG1 4Å; F128-I272 HydrophobicContact CZ-CD1 4.48Å; V137-I272 HydrophobicContact CG1-CG1 4.28Å; P197-I272 HydrophobicContact CB-CD1 4.23Å; V200-I272 HydrophobicContact CG1-CD1 4.36Å; L267-I272 CarbonylContact C-O 3.46Å; L267-I272 HydrophobicContact CB-CB 4.3Å; L267-I272 HydrophobicContact CD2-CB 4.45Å; L267-I272 HydrophobicContact CD2-CD1 3.99Å; L267-I272 HydrophobicContact CD2-CG2 4.49Å; L267-I272 PolarHBondContact O-N 3.18Å; V270-I272 HydrophobicContact CG2-CD1 4.07Å; V270-I272 HydrophobicContact CG2-CG1 4.11Å; I272-A274 PolarHBondContact O-N 2.81Å; I272-A320 HydrophobicContact CG2-CB 4.09Å; I272-M322 HydrophobicContact CG2-CE 4.29Å
273P98.9Very high98Very high0 Ų02 Ų20%01%0.01CC..  trans-62.7129.7176.9-14.827.1000110.2P130 M139 Y148 V149 A320 W321P130-P273 HydrophobicContact CB-CG 3.98Å; P130-P273 HydrophobicContact CG-CG 3.8Å; M139-P273 HydrophobicContact CB-CG 4.35Å; M139-P273 HydrophobicContact CE-CB 3.53Å; M139-P273 HydrophobicContact CE-CG 4.08Å; M139-P273 HydrophobicContact SD-CB 3.86Å; M139-P273 HydrophobicContact SD-CG 4.19Å; Y148-P273 WeakPolarHBondContact O-CA 3.22Å; V149-P273 HydrophobicContact CG2-CB 3.79Å; V149-P273 HydrophobicContact CG2-CG 3.81Å; P273-A320 WeakPolarHBondContact O-CA 3.1Å; P273-W321 HydrophobicContact CB-CB 3.97Å; P273-W321 HydrophobicContact CG-CB 4.22Å; P273-W321 PolarHBondContact O-N 3.14Å
274A98.9Very high97.4Very high0 Ų03.4 Ų3.40%02%0.016CC..EExtended strand (participates in β ladder)trans-146.9154.2-174.200000112.6Y148 T264 L267 R268 I272 T318 D319Y148-A274 PolarHBondContact O-N 3.08Å; T264-A274 HydrophobicContact CG2-CB 4.21Å; L267-A274 HydrophobicContact CB-CB 3.8Å; L267-A274 HydrophobicContact CD1-CB 3.95Å; R268-A274 HydrophobicContact CG-CB 4.34Å; R268-A274 VanDerWaalsContact CZ-O 3.25Å; R268-A274 PolarHBondContact NE-O 2.85Å; R268-A274 PolarHBondContact NH2-O 2.84Å; I272-A274 PolarHBondContact O-N 2.81Å; A274-T318 HydrophobicContact CB-CG2 4Å; A274-D319 CarbonylContact C-O 3.56Å; A274-D319 WeakPolarHBondContact CA-O 3.22Å
275R98.8Very high96.7Very high7 Ų73.6 Ų3.63%0.0262%0.017CC..EExtended strand (participates in β ladder)trans-145.1145.3175.166.9-175.2-174.7-167.7-6.8111.4Y148 V277 T318 D319 W334 T411Y148-R275 HydrophobicContact CD1-CB 3.87Å; Y148-R275 HydrophobicContact CE1-CB 3.93Å; Y148-R275 HydrophobicContact CE1-CG 4.46Å; R275-V277 HydrophobicContact CG-CG2 4.19Å; R275-T318 CarbonylContact O-C 3.46Å; R275-T318 WeakPolarHBondContact O-CA 3.15Å; R275-D319 HydrophobicContact CG-CB 3.72Å; R275-D319 IonicContact CZ-OD2 2.89Å; R275-D319 PolarHBondContact N-O 2.86Å; R275-D319 IonicContact NE-OD2 3.89Å; R275-D319 PolarHBondContact NE-OD2 2.58Å; R275-D319 IonicContact NH2-OD2 3.87Å; R275-D319 PolarHBondContact NH2-OD2 3.48Å; R275-D319 PolarHBondContact O-N 3.1Å; R275-W334 HydrophobicContact CG-CH2 4.09Å; R275-W334 HydrophobicContact CG-CZ3 4.07Å; R275-T411 WeakPolarHBondContact CD-OG1 3.36Å
276S98.7Very high95.5Very high7 Ų76.3 Ų6.35%0.0493%0.034CC..EExtended strand (participates in β ladder)trans-72.3139.7167.9-63.40000110.4S260 T264 W317 T411S260-S276 VanDerWaalsContact OG-CB 3.24Å; S260-S276 WeakPolarHBondContact OG-CB 3.33Å; S260-S276 PolarHBondContact OG-OG 2.87Å; T264-S276 PolarHBondContact OG1-OG 3.23Å; S276-W317 WeakPolarHBondContact CA-O 3.4Å; S276-T411 WeakPolarHBondContact O-CB 3.32Å; S276-T411 PolarHBondContact O-OG1 3.25Å
277V98.8Very high94.3Very high0 Ų011.6 Ų11.60%06%0.059CC..EExtended strand (participates in β ladder)trans-128.2131.1176.9176.50000108.9R275 V316 W317 D319 I409 S410 I422 Y426R275-V277 HydrophobicContact CG-CG2 4.19Å; V277-V316 CarbonylContact O-C 3.54Å; V277-V316 VanDerWaalsContact O-CA 3.26Å; V277-V316 WeakPolarHBondContact O-CA 3.43Å; V277-V316 VanDerWaalsContact O-CG1 3.32Å; V277-V316 WeakPolarHBondContact O-CG1 3.13Å; V277-W317 HydrophobicContact CG1-CZ2 3.88Å; V277-W317 PolarHBondContact N-O 3Å; V277-W317 PolarHBondContact O-N 3.41Å; V277-D319 HydrophobicContact CG2-CB 3.95Å; V277-I409 HydrophobicContact CG1-CG2 3.37Å; V277-S410 CarbonylContact C-O 3.52Å; V277-S410 WeakPolarHBondContact CA-O 3.05Å; V277-I422 HydrophobicContact CG1-CD1 4.05Å; V277-I422 HydrophobicContact CG2-CD1 3.96Å; V277-Y426 HydrophobicContact CG1-CE2 4.25Å
278T98.8Very high93.4Very high1 Ų117.6 Ų17.61%0.0069%0.085CC..EExtended strand (participates in β ladder)trans-103.8129.4173.4-58.80000109.7Y157 F280 F314 H315 V316 I409 S410Y157-T278 PolarHBondContact N-OG1 3.03Å; Y157-T278 WeakPolarHBondContact O-CB 3.03Å; Y157-T278 WeakPolarHBondContact O-CG2 3.5Å; Y157-T278 PolarHBondContact O-OG1 3.04Å; T278-F280 HydrophobicContact CG2-CD1 4.46Å; T278-F280 HydrophobicContact CG2-CD2 4.1Å; T278-F280 HydrophobicContact CG2-CE1 4.03Å; T278-F280 HydrophobicContact CG2-CE2 3.64Å; T278-F280 HydrophobicContact CG2-CG 4.49Å; T278-F280 HydrophobicContact CG2-CZ 3.6Å; T278-F314 HydrophobicContact CG2-CB 3.9Å; T278-F314 HydrophobicContact CG2-CD2 4.3Å; T278-F314 HydrophobicContact CG2-CG 4.5Å; T278-H315 CarbonylContact C-O 3.57Å; T278-H315 WeakPolarHBondContact CA-O 3.24Å; T278-V316 HydrophobicContact CG2-CG2 4.28Å; T278-I409 CarbonylContact O-C 3.5Å; T278-I409 VanDerWaalsContact O-CA 3.23Å; T278-I409 WeakPolarHBondContact O-CA 3.37Å; T278-S410 PolarHBondContact N-O 2.98Å; T278-S410 PolarHBondContact O-N 3.05Å
279N98.4Very high92.6Very high0 Ų019.8 Ų19.80%010%0.097CC..EExtended strand (participates in β ladder)trans-104.8130165.6-179.834.9000110.3S282 F314 H315 W317 E376 G406 I409N279-S282 WeakPolarHBondContact ND2-CA 3.34Å; N279-S282 VanDerWaalsContact ND2-CB 3.3Å; N279-S282 WeakPolarHBondContact ND2-CB 3.21Å; N279-S282 PolarHBondContact ND2-OG 2.89Å; N279-F314 CarbonylContact O-C 3.54Å; N279-F314 WeakPolarHBondContact O-CA 3.26Å; N279-H315 PolarHBondContact N-O 3.2Å; N279-H315 PolarHBondContact O-N 2.6Å; N279-W317 HydrophobicContact CB-CE3 4.34Å; N279-W317 HydrophobicContact CB-CH2 3.31Å; N279-W317 HydrophobicContact CB-CZ2 4.34Å; N279-W317 HydrophobicContact CB-CZ3 3.29Å; N279-E376 PolarHBondContact ND2-O 2.82Å; N279-G406 WeakPolarHBondContact OD1-CA 2.98Å; N279-I409 HydrophobicContact CB-CG1 4.46Å; N279-I409 WeakPolarHBondContact OD1-CG1 3.28Å
280F96.8Very high92Very high0 Ų020.2 Ų20.20%010%0.099CC..EExtended strand (participates in β ladder)trans-97.8146.2174.6-62.7-87.8000110.9F160 A161 I164 T278 N313 F314 G406 K407 N408F160-F280 VanDerWaalsContact C-CD1 3.41Å; A161-F280 HydrophobicContact CB-CB 3.75Å; A161-F280 HydrophobicContact CB-CG 4.39Å; I164-F280 HydrophobicContact CB-CZ 4.21Å; I164-F280 HydrophobicContact CD1-CD2 4.27Å; I164-F280 HydrophobicContact CD1-CE2 3.67Å; I164-F280 HydrophobicContact CD1-CZ 3.99Å; I164-F280 HydrophobicContact CG1-CE1 4.14Å; I164-F280 HydrophobicContact CG1-CE2 3.86Å; I164-F280 HydrophobicContact CG1-CZ 3.64Å; I164-F280 HydrophobicContact CG2-CE2 4.37Å; I164-F280 HydrophobicContact CG2-CZ 3.79Å; T278-F280 HydrophobicContact CG2-CD1 4.46Å; T278-F280 HydrophobicContact CG2-CD2 4.1Å; T278-F280 HydrophobicContact CG2-CE1 4.03Å; T278-F280 HydrophobicContact CG2-CE2 3.64Å; T278-F280 HydrophobicContact CG2-CG 4.49Å; T278-F280 HydrophobicContact CG2-CZ 3.6Å; F280-N313 WeakPolarHBondContact CA-O 3.4Å; F280-F314 HydrophobicContact CD1-CB 3.64Å; F280-F314 HydrophobicContact CE1-CB 3.85Å; F280-F314 HydrophobicContact CG-CB 4.39Å; F280-G406 PolarHBondContact O-N 2.86Å; F280-K407 HydrophobicContact CB-CB 4.39Å; F280-K407 VanDerWaalsContact CB-O 3.31Å; F280-K407 WeakPolarHBondContact CB-O 3.43Å; F280-K407 PolarHBondContact N-O 3.45Å; F280-K407 PolarHBondContact O-N 2.77Å; F280-N408 HydrophobicContact CD2-CB 3.83Å; F280-N408 WeakPolarHBondContact CD2-O 3.21Å; F280-N408 HydrophobicContact CE2-CB 4.44Å
281E94.4Very high91.5Very high23 Ų2323.1 Ų23.111%0.10711%0.11CC..EExtended strand (participates in β ladder)trans54.754.2-169.9-50.6-66.5161.800110.6A161 A283 V311 W312 N313 S404 I405 G406 K407A161-E281 HydrophobicContact CB-CG 4.42Å; E281-A283 PolarHBondContact O-N 3.39Å; E281-V311 HydrophobicContact CB-CG1 3.99Å; E281-W312 CarbonylContact C-O 3.36Å; E281-W312 VanDerWaalsContact CA-O 3.28Å; E281-W312 WeakPolarHBondContact CA-O 3.34Å; E281-W312 PolarHBondContact N-O 3.28Å; E281-N313 PolarHBondContact N-O 3.02Å; E281-S404 VanDerWaalsContact CB-O 3.24Å; E281-S404 WeakPolarHBondContact CB-O 3.43Å; E281-I405 WeakPolarHBondContact O-CA 3.47Å; E281-I405 WeakPolarHBondContact O-CG2 3.31Å; E281-G406 PolarHBondContact O-N 2.55Å; E281-K407 HydrophobicContact CG-CD 4.19Å
282S95.3Very high91Very high1 Ų123.1 Ų23.11%0.00711%0.11CC..EExtended strand (participates in β ladder)trans-77.9119.9-178.7-1540000109.8N279 V311 W312 H315 E376N279-S282 WeakPolarHBondContact ND2-CA 3.34Å; N279-S282 VanDerWaalsContact ND2-CB 3.3Å; N279-S282 WeakPolarHBondContact ND2-CB 3.21Å; N279-S282 PolarHBondContact ND2-OG 2.89Å; S282-V311 CarbonylContact O-C 3.53Å; S282-V311 WeakPolarHBondContact O-CA 3.44Å; S282-W312 PolarHBondContact N-O 2.81Å; S282-W312 PolarHBondContact O-N 2.92Å; S282-H315 VanDerWaalsContact CB-CB 3.46Å; S282-H315 WeakPolarHBondContact OG-CB 3.41Å; S282-E376 PolarHBondContact OG-OE1 3.35Å
283A92.5Very high90.7Very high0 Ų023.7 Ų23.70%011%0.113CC..EExtended strand (participates in β ladder)trans-73.9137.9177.100000111E281 V292 T375 E376 I405E281-A283 PolarHBondContact O-N 3.39Å; A283-V292 HydrophobicContact CB-CG2 3.5Å; A283-T375 HydrophobicContact CB-CG2 4.42Å; A283-T375 WeakPolarHBondContact CB-O 3.38Å; A283-E376 PolarHBondContact N-O 3.1Å; A283-E376 WeakPolarHBondContact O-CA 3.3Å; A283-E376 WeakPolarHBondContact O-CG 3.44Å; A283-I405 HydrophobicContact CB-CD1 4.07Å; A283-I405 HydrophobicContact CB-CG1 4.19Å; A283-I405 HydrophobicContact CB-CG2 3.65Å
284H86.5Confident90.4Very high29 Ų2924.2 Ų24.213%0.13412%0.116CC..EExtended strand (participates in β ladder)trans-11992.6166.3-17159.7000108.2S310 F372H284-S310 PolarHBondContact N-O 2.87Å; H284-S310 PolarHBondContact O-N 2.86Å; H284-F372 AromaticContact ND1-CE2 3.77Å; H284-F372 AromaticContact ND1-CZ 3.96Å
285D82.9Confident90.2Very high3 Ų326.2 Ų26.22%0.01612%0.124CC..  trans-86112.2179.1168.311.1000109.9E287 K288 N289 L290 R291 T375D285-E287 PolarHBondContact OD1-N 3.5Å; D285-K288 PolarHBondContact OD1-N 3.38Å; D285-K288 VanDerWaalsContact OD2-CA 3.25Å; D285-K288 WeakPolarHBondContact OD2-CA 3.46Å; D285-K288 PolarHBondContact OD2-N 3Å; D285-N289 PolarHBondContact OD2-N 2.94Å; D285-L290 PolarHBondContact OD2-N 3.06Å; D285-R291 WeakPolarHBondContact CB-O 3.36Å; D285-T375 HydrophobicContact CB-CG2 3.42Å; D285-T375 VanDerWaalsContact CB-CG2 3.42Å
286T74.5Confident90.1Very high57 Ų5725.9 Ų25.935%0.3512%0.122SC..SBendtrans-84-19.4-177.558.20000113D309T286-D309 PolarHBondContact N-OD1 2.78Å; T286-D309 PolarHBondContact OG1-OD1 3.45Å
287E74.3Confident89.8Confident111 Ų11127.7 Ų27.752%0.51913%0.132SC..SBendtrans-99.1-6.8-175.4-60-166.8167.500113.1D285 N289D285-E287 PolarHBondContact OD1-N 3.5Å; E287-N289 PolarHBondContact O-N 3.22Å
288K79.9Confident89.5Confident126 Ų12633.3 Ų33.355%0.54816%0.158SC..SBendtrans58.336179.2-54.3-174.2179.8-1670112.1D285 E343D285-K288 PolarHBondContact OD1-N 3.38Å; D285-K288 VanDerWaalsContact OD2-CA 3.25Å; D285-K288 WeakPolarHBondContact OD2-CA 3.46Å; D285-K288 PolarHBondContact OD2-N 3Å; K288-E343 VanDerWaalsContact CE-OE2 3.24Å; K288-E343 WeakPolarHBondContact CE-OE2 3.42Å; K288-E343 IonicContact NZ-OE2 3.52Å; K288-E343 PolarHBondContact NZ-OE2 2.86Å
289N81.9Confident89.1Confident51 Ų5134.6 Ų34.627%0.27317%0.167SC..SBendtrans-101.33-177.472.717.6000113D285 E287 R291 D293D285-N289 PolarHBondContact OD2-N 2.94Å; E287-N289 PolarHBondContact O-N 3.22Å; N289-R291 VanDerWaalsContact C-N 3.29Å; N289-R291 WeakPolarHBondContact OD1-CA 3.48Å; N289-R291 VanDerWaalsContact OD1-CB 3.26Å; N289-R291 WeakPolarHBondContact OD1-CB 3.46Å; N289-R291 PolarHBondContact OD1-N 2.75Å; N289-R291 PolarHBondContact OD1-O 2.6Å; N289-D293 PolarHBondContact ND2-OD2 3.1Å
290L85.7Confident88.8Confident9 Ų934.6 Ų34.65%0.04717%0.167CC..SBendtrans66.923.1-177.4-50.5178.3000114D285 T371 F374 T375 M439 A442D285-L290 PolarHBondContact OD2-N 3.06Å; L290-T371 HydrophobicContact CD2-CG2 3.63Å; L290-F374 HydrophobicContact CD2-CD1 4.29Å; L290-T375 WeakPolarHBondContact CD2-OG1 3.29Å; L290-M439 HydrophobicContact CB-CE 3.87Å; L290-M439 WeakPolarHBondContact O-CE 3.11Å; L290-A442 VanDerWaalsContact CD1-C 3.49Å; L290-A442 HydrophobicContact CD1-CB 3.78Å
291R88.3Confident88.6Confident60 Ų6038.8 Ų38.823%0.22619%0.185CC..EExtended strand (participates in β ladder)trans-135.3165.9-178.2-52.8172.6-176.7-159.6-7.1109.6D285 N289 D380 Y382D285-R291 WeakPolarHBondContact CB-O 3.36Å; N289-R291 VanDerWaalsContact C-N 3.29Å; N289-R291 WeakPolarHBondContact OD1-CA 3.48Å; N289-R291 VanDerWaalsContact OD1-CB 3.26Å; N289-R291 WeakPolarHBondContact OD1-CB 3.46Å; N289-R291 PolarHBondContact OD1-N 2.75Å; N289-R291 PolarHBondContact OD1-O 2.6Å; R291-D380 VanDerWaalsContact CA-O 3.3Å; R291-D380 WeakPolarHBondContact CA-O 3.46Å; R291-Y382 HydrophobicContact CB-CD2 4.1Å; R291-Y382 HydrophobicContact CB-CE2 4.22Å; R291-Y382 HydrophobicContact CG-CD2 4.29Å; R291-Y382 HydrophobicContact CG-CE2 3.9Å
292V88.9Confident88.5Confident0 Ų038.5 Ų38.50%019%0.185CC..EExtended strand (participates in β ladder)trans-122.2112.9171.7176.10000107.8A283 I294 D309 V311 D380 K381 Y382A283-V292 HydrophobicContact CB-CG2 3.5Å; V292-I294 HydrophobicContact CG1-CD1 3.93Å; V292-I294 HydrophobicContact CG1-CG1 4.3Å; V292-D309 HydrophobicContact CB-CB 4.44Å; V292-D309 HydrophobicContact CG1-CB 3.82Å; V292-V311 HydrophobicContact CG1-CG2 3.83Å; V292-V311 HydrophobicContact CG2-CG2 4.48Å; V292-D380 PolarHBondContact N-O 3.1Å; V292-K381 HydrophobicContact CB-CG 4.39Å; V292-K381 HydrophobicContact CG1-CG 4.37Å; V292-K381 CarbonylContact O-C 3.6Å; V292-K381 WeakPolarHBondContact O-CA 3.28Å; V292-Y382 PolarHBondContact O-N 3.43Å
293D92Very high88.3Confident13 Ų1339.6 Ų39.67%0.0719%0.191CC..EExtended strand (participates in β ladder)trans-99.2114.2-177.2-71.4-68.3000111.6N289 Y295 D309 Y382 W384N289-D293 PolarHBondContact ND2-OD2 3.1Å; D293-Y295 HydrophobicContact CB-CE2 3.74Å; D293-D309 PolarHBondContact N-OD2 2.8Å; D293-Y382 WeakPolarHBondContact OD1-CB 3.33Å; D293-W384 PolarHBondContact OD1-NE1 3.4Å
294I93.4Very high88.1Confident11 Ų1144.4 Ų44.46%0.05622%0.222CC..EExtended strand (participates in β ladder)trans-108.8123.9177.8-53.3-59000110.1V292 L296 T302 T307 K381 Y382 I383 W384 F547V292-I294 HydrophobicContact CG1-CD1 3.93Å; V292-I294 HydrophobicContact CG1-CG1 4.3Å; I294-L296 HydrophobicContact CG2-CD2 3.83Å; I294-L296 HydrophobicContact CG2-CG 4.4Å; I294-T302 HydrophobicContact CG2-CG2 4.29Å; I294-T307 HydrophobicContact CD1-CG2 3.66Å; I294-T307 HydrophobicContact CG2-CG2 4.33Å; I294-K381 HydrophobicContact CG1-CG 4.3Å; I294-Y382 PolarHBondContact N-O 3.46Å; I294-I383 CarbonylContact O-C 3.5Å; I294-I383 WeakPolarHBondContact O-CA 3.31Å; I294-W384 PolarHBondContact O-N 3.23Å; I294-F547 HydrophobicContact CG2-CE1 3.68Å; I294-F547 HydrophobicContact CG2-CZ 3.68Å
295Y94.5Very high88.2Confident41 Ų4149.3 Ų49.316%0.16124%0.244CC..EExtended strand (participates in β ladder)trans-109.3122.8-179.4-64.1-96.7000110.8D293 T302 I303 L306 T307 W384 V386D293-Y295 HydrophobicContact CB-CE2 3.74Å; Y295-T302 CarbonylContact O-C 3.58Å; Y295-T302 WeakPolarHBondContact O-CA 3.35Å; Y295-I303 PolarHBondContact O-N 2.89Å; Y295-L306 HydrophobicContact CD1-CB 4.18Å; Y295-L306 HydrophobicContact CD1-CD1 4.18Å; Y295-L306 HydrophobicContact CD2-CB 3.72Å; Y295-L306 WeakPolarHBondContact CD2-O 3.47Å; Y295-L306 HydrophobicContact CE2-CB 4.36Å; Y295-L306 WeakPolarHBondContact CE2-O 3.31Å; Y295-L306 HydrophobicContact CG-CB 3.6Å; Y295-L306 HydrophobicContact CG-CD1 4.28Å; Y295-T307 PolarHBondContact N-OG1 3.36Å; Y295-T307 PolarHBondContact O-OG1 2.8Å; Y295-W384 WeakPolarHBondContact CA-O 3.27Å; Y295-W384 HydrophobicContact CD1-CB 3.56Å; Y295-W384 HydrophobicContact CD1-CG 4.05Å; Y295-W384 HydrophobicContact CE1-CB 3.78Å; Y295-W384 AromaticContact CE1-CD1 3.87Å; Y295-W384 HydrophobicContact CE1-CD2 4.45Å; Y295-W384 AromaticContact CE1-CG 3.77Å; Y295-W384 HydrophobicContact CE1-CG 3.77Å; Y295-W384 HydrophobicContact CG-CB 4.23Å; Y295-W384 AromaticContact CZ-CD1 3.87Å; Y295-V386 HydrophobicContact CD1-CG2 3.95Å; Y295-V386 HydrophobicContact CG-CG2 4.48Å
296L95.3Very high88.5Confident0 Ų051.1 Ų51.10%025%0.254CS..EExtended strand (participates in β ladder)trans-113.7148.3-178.4-53.5-177000111I294 K301 T302 I383 W384 V386 F547 I549I294-L296 HydrophobicContact CG2-CD2 3.83Å; I294-L296 HydrophobicContact CG2-CG 4.4Å; L296-K301 CarbonylContact C-O 3.52Å; L296-K301 VanDerWaalsContact CA-O 3.32Å; L296-K301 WeakPolarHBondContact CA-O 3.39Å; L296-T302 HydrophobicContact CD2-CG2 3.74Å; L296-I383 HydrophobicContact CD1-CG2 3.48Å; L296-I383 VanDerWaalsContact CD1-CG2 3.48Å; L296-I383 HydrophobicContact CG-CG2 3.92Å; L296-W384 PolarHBondContact N-O 3.15Å; L296-V386 PolarHBondContact O-N 3.45Å; L296-F547 HydrophobicContact CD1-CB 4Å; L296-F547 HydrophobicContact CD1-CD1 3.93Å; L296-F547 HydrophobicContact CD1-CG 4.15Å; L296-F547 HydrophobicContact CD2-CB 4.19Å; L296-F547 HydrophobicContact CD2-CD1 3.91Å; L296-F547 HydrophobicContact CD2-CD2 4.08Å; L296-F547 HydrophobicContact CD2-CE1 4.32Å; L296-F547 HydrophobicContact CD2-CE2 4.48Å; L296-F547 HydrophobicContact CD2-CG 3.78Å; L296-I549 HydrophobicContact CB-CD1 4.43Å; L296-I549 HydrophobicContact CD1-CD1 4.2Å; L296-I549 HydrophobicContact CD1-CG1 4.29Å
297D93.6Very high89.1Confident46 Ų4649.7 Ų49.725%0.24625%0.245CC..  trans-82.3178.7162.571.120.8000111.7S299 G300 K301 I303 L385D297-S299 PolarHBondContact O-N 3.24Å; D297-S299 VanDerWaalsContact O-N 3.16Å; D297-S299 WeakPolarHBondContact OD1-CA 3.46Å; D297-S299 WeakPolarHBondContact OD1-CB 3.32Å; D297-S299 PolarHBondContact OD1-N 2.85Å; D297-S299 PolarHBondContact OD1-OG 2.97Å; D297-S299 PolarHBondContact OD2-OG 2.89Å; D297-G300 PolarHBondContact O-N 3.06Å; D297-G300 PolarHBondContact OD1-N 2.94Å; D297-G300 VanDerWaalsContact OD1-N 3.17Å; D297-K301 PolarHBondContact N-O 3.46Å; D297-K301 WeakPolarHBondContact OD1-CB 3.49Å; D297-K301 PolarHBondContact OD1-N 2.87Å; D297-K301 WeakPolarHBondContact OD2-CB 3.32Å; D297-I303 HydrophobicContact CB-CD1 4.2Å; D297-I303 HydrophobicContact CB-CG1 4.33Å; D297-L385 VanDerWaalsContact O-CD1 3.25Å; D297-L385 WeakPolarHBondContact O-CD1 3.44Å
298E90.9Very high89.7Confident118 Ų11850.7 Ų50.755%0.55125%0.247SC*.THydrogen-bonded Turntrans-65.3-16.2-178.4-60-162.1121.500114.5G300 R558E298-G300 VanDerWaalsContact C-N 3.34Å; E298-R558 IonicContact OE1-NH1 3.59Å; E298-R558 PolarHBondContact OE1-NH1 3.44Å
299S90.4Very high89.9Confident28 Ų2845.1 Ų45.120%0.19622%0.224CC..THydrogen-bonded Turntrans-86.3-9.217378.30000112.9D297 S490D297-S299 PolarHBondContact O-N 3.24Å; D297-S299 VanDerWaalsContact O-N 3.16Å; D297-S299 WeakPolarHBondContact OD1-CA 3.46Å; D297-S299 WeakPolarHBondContact OD1-CB 3.32Å; D297-S299 PolarHBondContact OD1-N 2.85Å; D297-S299 PolarHBondContact OD1-OG 2.97Å; D297-S299 PolarHBondContact OD2-OG 2.89Å; S299-S490 PolarHBondContact O-OG 3.08Å
300G92.3Very high90Very high0 Ų043.9 Ų43.90%022%0.219CC..SBendtrans86.710.6-173.100000113.6D297 E298 S492 F547D297-G300 PolarHBondContact O-N 3.06Å; D297-G300 PolarHBondContact OD1-N 2.94Å; D297-G300 VanDerWaalsContact OD1-N 3.17Å; E298-G300 VanDerWaalsContact C-N 3.34Å; G300-S492 WeakPolarHBondContact O-CB 3.26Å; G300-F547 VanDerWaalsContact O-CB 3.25Å; G300-F547 WeakPolarHBondContact O-CB 3.49Å
301K93.6Very high90.2Very high88 Ų8844.1 Ų44.138%0.38322%0.221SC..  trans-81.2138177-179-173.4175.1-175.30109.6L296 D297L296-K301 CarbonylContact C-O 3.52Å; L296-K301 VanDerWaalsContact CA-O 3.32Å; L296-K301 WeakPolarHBondContact CA-O 3.39Å; D297-K301 PolarHBondContact N-O 3.46Å; D297-K301 WeakPolarHBondContact OD1-CB 3.49Å; D297-K301 PolarHBondContact OD1-N 2.87Å; D297-K301 WeakPolarHBondContact OD2-CB 3.32Å
302T92.3Very high90.4Very high17 Ų1742.3 Ų42.310%0.10421%0.214CC..BIsolated β-bridgetrans-65142.6175.556.30000111.7I294 Y295 L296 P304 F547I294-T302 HydrophobicContact CG2-CG2 4.29Å; Y295-T302 CarbonylContact O-C 3.58Å; Y295-T302 WeakPolarHBondContact O-CA 3.35Å; L296-T302 HydrophobicContact CD2-CG2 3.74Å; T302-P304 WeakPolarHBondContact O-CD 3.46Å; T302-F547 HydrophobicContact CG2-CD2 3.7Å; T302-F547 HydrophobicContact CG2-CE2 3.3Å; T302-F547 HydrophobicContact CG2-CZ 3.98Å
303I91.6Very high90.5Very high24 Ų2442.5 Ų42.512%0.12322%0.215CC..  trans-99.5103.2177.8-59.5178.9000108.4Y295 D297 H305 L306 T307 V386Y295-I303 PolarHBondContact O-N 2.89Å; D297-I303 HydrophobicContact CB-CD1 4.2Å; D297-I303 HydrophobicContact CB-CG1 4.33Å; I303-H305 VanDerWaalsContact C-N 3.32Å; I303-H305 WeakPolarHBondContact CG2-CE1 3.36Å; I303-H305 WeakPolarHBondContact CG2-ND1 3.3Å; I303-H305 PolarHBondContact O-N 3.4Å; I303-L306 HydrophobicContact CB-CD1 4.43Å; I303-L306 HydrophobicContact CD1-CD1 4.47Å; I303-L306 HydrophobicContact CG2-CB 4.26Å; I303-L306 HydrophobicContact CG2-CD1 3.93Å; I303-L306 HydrophobicContact CG2-CG 4Å; I303-L306 PolarHBondContact O-N 3.24Å; I303-L306 VanDerWaalsContact O-N 3.14Å; I303-T307 PolarHBondContact O-N 2.8Å; I303-T307 PolarHBondContact O-OG1 2.96Å; I303-V386 HydrophobicContact CD1-CB 3.49Å; I303-V386 VanDerWaalsContact CD1-CB 3.49Å; I303-V386 HydrophobicContact CD1-CG1 3.99Å; I303-V386 HydrophobicContact CD1-CG2 3.55Å
304P88.2Confident90.7Very high100 Ų10042.2 Ų42.265%0.64921%0.213SC*.THydrogen-bonded Turntrans-65-28.5-164.9-25.736.1000115.4T302 L306T302-P304 WeakPolarHBondContact O-CD 3.46Å; P304-L306 VanDerWaalsContact C-N 3.33Å
305H87.6Confident90.8Very high133 Ų13341.7 Ų41.762%0.61621%0.21SC*.THydrogen-bonded Turntrans-80.9-15.3-179.262.3-88.4000113.3I303I303-H305 VanDerWaalsContact C-N 3.32Å; I303-H305 WeakPolarHBondContact CG2-CE1 3.36Å; I303-H305 WeakPolarHBondContact CG2-ND1 3.3Å; I303-H305 PolarHBondContact O-N 3.4Å
306L89.1Confident91Very high41 Ų4139.7 Ų39.722%0.21520%0.203CC..THydrogen-bonded Turntrans-101.4-36.8175.6-62.7177.4000111.9Y295 I303 P304 K308 V386Y295-L306 HydrophobicContact CD1-CB 4.18Å; Y295-L306 HydrophobicContact CD1-CD1 4.18Å; Y295-L306 HydrophobicContact CD2-CB 3.72Å; Y295-L306 WeakPolarHBondContact CD2-O 3.47Å; Y295-L306 HydrophobicContact CE2-CB 4.36Å; Y295-L306 WeakPolarHBondContact CE2-O 3.31Å; Y295-L306 HydrophobicContact CG-CB 3.6Å; Y295-L306 HydrophobicContact CG-CD1 4.28Å; I303-L306 HydrophobicContact CB-CD1 4.43Å; I303-L306 HydrophobicContact CD1-CD1 4.47Å; I303-L306 HydrophobicContact CG2-CB 4.26Å; I303-L306 HydrophobicContact CG2-CD1 3.93Å; I303-L306 HydrophobicContact CG2-CG 4Å; I303-L306 PolarHBondContact O-N 3.24Å; I303-L306 VanDerWaalsContact O-N 3.14Å; P304-L306 VanDerWaalsContact C-N 3.33Å; L306-K308 PolarHBondContact O-N 3.22Å; L306-V386 HydrophobicContact CD1-CG1 4.43Å; L306-V386 HydrophobicContact CD1-CG2 3.84Å
307T88.3Confident91.2Very high26 Ų2639.7 Ų39.716%0.1620%0.203CC..  trans-84.887.7178.9-52.30000110.2I294 Y295 I303I294-T307 HydrophobicContact CD1-CG2 3.66Å; I294-T307 HydrophobicContact CG2-CG2 4.33Å; Y295-T307 PolarHBondContact N-OG1 3.36Å; Y295-T307 PolarHBondContact O-OG1 2.8Å; I303-T307 PolarHBondContact O-N 2.8Å; I303-T307 PolarHBondContact O-OG1 2.96Å
308K85.3Confident91.4Very high132 Ų13237.5 Ų37.557%0.57419%0.191SC*.  trans-90-31177.9-63.6-178.2-173.1166.90113.1L306L306-K308 PolarHBondContact O-N 3.22Å
309D85.6Confident91.8Very high9 Ų931.9 Ų31.95%0.04817%0.165CC..  trans-74.2156.3177.5-56.6-32.6000111T286 V292 D293T286-D309 PolarHBondContact N-OD1 2.78Å; T286-D309 PolarHBondContact OG1-OD1 3.45Å; V292-D309 HydrophobicContact CB-CB 4.44Å; V292-D309 HydrophobicContact CG1-CB 3.82Å; D293-D309 PolarHBondContact N-OD2 2.8Å
310S84.2Confident92.2Very high25 Ų2530.6 Ų30.618%0.17516%0.156CC..EExtended strand (participates in β ladder)trans-138.3154176.959.40000111H284 W312H284-S310 PolarHBondContact N-O 2.87Å; H284-S310 PolarHBondContact O-N 2.86Å; S310-W312 PolarHBondContact OG-NE1 3.5Å
311V88.9Confident92.5Very high14 Ų1434.2 Ų34.29%0.08517%0.169CC..EExtended strand (participates in β ladder)trans-114.4115.7169.3-175.60000106.8E281 S282 V292 I405E281-V311 HydrophobicContact CB-CG1 3.99Å; S282-V311 CarbonylContact O-C 3.53Å; S282-V311 WeakPolarHBondContact O-CA 3.44Å; V292-V311 HydrophobicContact CG1-CG2 3.83Å; V292-V311 HydrophobicContact CG2-CG2 4.48Å; V311-I405 HydrophobicContact CB-CD1 4.26Å; V311-I405 HydrophobicContact CG1-CD1 3.61Å; V311-I405 HydrophobicContact CG2-CD1 3.59Å
312W92.3Very high92.8Very high22 Ų2230 Ų308%0.08315%0.151CC..EExtended strand (participates in β ladder)trans-79.8135.4175.3-68.730.6000108W221 C256 E281 S282 S310 F314 Q342 Y498 T499W221-W312 AromaticContact CE2-CH2 3.76Å; W221-W312 AromaticContact CZ2-CH2 3.88Å; W221-W312 HydrophobicContact CZ2-CH2 3.88Å; W221-W312 HydrophobicContact CZ2-CZ3 4.13Å; W221-W312 AromaticContact NE1-CH2 3.61Å; W221-W312 AromaticContact NE1-CZ3 3.71Å; C256-W312 HydrophobicContact CB-CZ3 4.43Å; E281-W312 CarbonylContact C-O 3.36Å; E281-W312 VanDerWaalsContact CA-O 3.28Å; E281-W312 WeakPolarHBondContact CA-O 3.34Å; E281-W312 PolarHBondContact N-O 3.28Å; S282-W312 PolarHBondContact N-O 2.81Å; S282-W312 PolarHBondContact O-N 2.92Å; S310-W312 PolarHBondContact OG-NE1 3.5Å; W312-F314 PolarHBondContact O-N 2.81Å; W312-F314 VanDerWaalsContact O-N 3.14Å; W312-Q342 HydrophobicContact CH2-CG 4.38Å; W312-Q342 HydrophobicContact CZ2-CG 4.42Å; W312-Y498 AromaticContact CE3-CE2 3.86Å; W312-Y498 HydrophobicContact CE3-CE2 3.86Å; W312-Y498 HydrophobicContact CZ3-CE2 4.18Å; W312-T499 HydrophobicContact CD2-CG2 3.59Å; W312-T499 HydrophobicContact CE3-CG2 3.64Å; W312-T499 HydrophobicContact CG-CG2 4.31Å; W312-T499 HydrophobicContact CH2-CG2 3.71Å; W312-T499 HydrophobicContact CZ2-CG2 3.67Å; W312-T499 HydrophobicContact CZ3-CG2 3.69Å
313N91.8Very high93.1Very high4 Ų432.4 Ų32.42%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-57-35.8179.9-62.2-29000111.5F160 F280 E281 Y498 V543F160-N313 HydrophobicContact CD1-CB 3.7Å; F160-N313 HydrophobicContact CE1-CB 3.78Å; F160-N313 WeakPolarHBondContact CE1-ND2 3.31Å; F280-N313 WeakPolarHBondContact CA-O 3.4Å; E281-N313 PolarHBondContact N-O 3.02Å; N313-Y498 PolarHBondContact N-O 3.43Å; N313-Y498 VanDerWaalsContact ND2-CA 3.3Å; N313-Y498 WeakPolarHBondContact ND2-CA 3.15Å; N313-Y498 PolarHBondContact ND2-O 3.27Å; N313-V543 WeakPolarHBondContact ND2-CG1 3.43Å
314F95Very high93.4Very high7 Ų731.3 Ų31.33%0.03115%0.154CC..EExtended strand (participates in β ladder)trans-151.2156.1165.569.8-80.3000110.5M158 G159 W257 T278 N279 F280 W312 V316 Y498M158-F314 HydrophobicContact CB-CD2 4.48Å; M158-F314 HydrophobicContact CB-CE1 4.2Å; M158-F314 HydrophobicContact CB-CE2 4.12Å; M158-F314 HydrophobicContact CB-CZ 4Å; M158-F314 HydrophobicContact CE-CE1 4.25Å; M158-F314 HydrophobicContact CE-CE2 3.91Å; M158-F314 HydrophobicContact CE-CZ 3.37Å; M158-F314 HydrophobicContact CG-CD2 4.24Å; M158-F314 HydrophobicContact CG-CE2 3.68Å; M158-F314 HydrophobicContact CG-CZ 3.88Å; M158-F314 HydrophobicContact SD-CE2 4.48Å; M158-F314 HydrophobicContact SD-CZ 4.4Å; G159-F314 WeakPolarHBondContact O-CD1 3.49Å; W257-F314 AromaticContact CE3-CE2 3.84Å; W257-F314 HydrophobicContact CE3-CE2 3.84Å; W257-F314 AromaticContact CE3-CZ 3.93Å; W257-F314 HydrophobicContact CE3-CZ 3.93Å; W257-F314 HydrophobicContact CZ3-CE2 4.24Å; W257-F314 AromaticContact CZ3-CZ 3.87Å; W257-F314 HydrophobicContact CZ3-CZ 3.87Å; T278-F314 HydrophobicContact CG2-CB 3.9Å; T278-F314 HydrophobicContact CG2-CD2 4.3Å; T278-F314 HydrophobicContact CG2-CG 4.5Å; N279-F314 CarbonylContact O-C 3.54Å; N279-F314 WeakPolarHBondContact O-CA 3.26Å; F280-F314 HydrophobicContact CD1-CB 3.64Å; F280-F314 HydrophobicContact CE1-CB 3.85Å; F280-F314 HydrophobicContact CG-CB 4.39Å; W312-F314 PolarHBondContact O-N 2.81Å; W312-F314 VanDerWaalsContact O-N 3.14Å; F314-V316 HydrophobicContact CD2-CG2 3.75Å; F314-V316 HydrophobicContact CE2-CG2 3.97Å; F314-Y498 HydrophobicContact CD1-CD2 4.04Å; F314-Y498 AromaticContact CE1-CD2 3.55Å; F314-Y498 HydrophobicContact CE1-CD2 3.55Å; F314-Y498 HydrophobicContact CE1-CE2 4.15Å; F314-Y498 AromaticContact CE1-CG 3.97Å; F314-Y498 HydrophobicContact CE1-CG 3.97Å; F314-Y498 HydrophobicContact CE2-CD2 4.47Å; F314-Y498 HydrophobicContact CE2-CE2 4.27Å; F314-Y498 AromaticContact CZ-CD2 3.77Å; F314-Y498 HydrophobicContact CZ-CD2 3.77Å; F314-Y498 AromaticContact CZ-CE2 3.87Å; F314-Y498 HydrophobicContact CZ-CE2 3.87Å; F314-Y498 HydrophobicContact CZ-CG 4.32Å
315H97.2Very high93.7Very high0 Ų034.3 Ų34.30%016%0.16CC..EExtended strand (participates in β ladder)trans-133.4147.9169.1-176.440.3000109.3C256 T278 N279 S282 W317 D338 Q342 E376C256-H315 VanDerWaalsContact CB-CE1 3.49Å; C256-H315 WeakPolarHBondContact CB-CE1 3.47Å; C256-H315 WeakPolarHBondContact CB-ND1 3.4Å; T278-H315 CarbonylContact C-O 3.57Å; T278-H315 WeakPolarHBondContact CA-O 3.24Å; N279-H315 PolarHBondContact N-O 3.2Å; N279-H315 PolarHBondContact O-N 2.6Å; S282-H315 VanDerWaalsContact CB-CB 3.46Å; S282-H315 WeakPolarHBondContact OG-CB 3.41Å; H315-W317 AromaticContact CD2-CE3 3.73Å; H315-D338 IonicContact CD2-OD2 3.54Å; H315-D338 IonicContact CE1-OD2 3.57Å; H315-D338 PolarHBondContact CE1-OD2 2.76Å; H315-D338 VanDerWaalsContact CE1-OD2 3.3Å; H315-D338 IonicContact NE2-OD2 2.88Å; H315-D338 PolarHBondContact NE2-OD2 2.74Å; H315-Q342 PolarHBondContact CE1-OE1 3.37Å; H315-Q342 PolarHBondContact NE2-OE1 3.11Å; H315-E376 IonicContact CD2-OE1 3.55Å; H315-E376 PolarHBondContact CD2-OE1 3.41Å; H315-E376 IonicContact CD2-OE2 2.77Å; H315-E376 IonicContact NE2-OE1 2.75Å
316V98.4Very high94.2Very high0 Ų031.9 Ų31.90%015%0.151CC..EExtended strand (participates in β ladder)trans-129123.5-177-1660000109.9W257 V277 T278 F314W257-V316 HydrophobicContact CB-CB 4.25Å; W257-V316 HydrophobicContact CB-CG2 3.96Å; V277-V316 CarbonylContact O-C 3.54Å; V277-V316 VanDerWaalsContact O-CA 3.26Å; V277-V316 WeakPolarHBondContact O-CA 3.43Å; V277-V316 VanDerWaalsContact O-CG1 3.32Å; V277-V316 WeakPolarHBondContact O-CG1 3.13Å; T278-V316 HydrophobicContact CG2-CG2 4.28Å; F314-V316 HydrophobicContact CD2-CG2 3.75Å; F314-V316 HydrophobicContact CE2-CG2 3.97Å
317W98.7Very high94.6Very high0 Ų031.4 Ų31.40%015%0.149CC..EExtended strand (participates in β ladder)trans-124.4-171.717563.379.2000111.1S260 S276 V277 N279 H315 V336 D338 V377 I409 Y426S260-W317 WeakPolarHBondContact CB-O 3.39Å; S260-W317 PolarHBondContact OG-O 3.34Å; S276-W317 WeakPolarHBondContact CA-O 3.4Å; V277-W317 HydrophobicContact CG1-CZ2 3.88Å; V277-W317 PolarHBondContact N-O 3Å; V277-W317 PolarHBondContact O-N 3.41Å; N279-W317 HydrophobicContact CB-CE3 4.34Å; N279-W317 HydrophobicContact CB-CH2 3.31Å; N279-W317 HydrophobicContact CB-CZ2 4.34Å; N279-W317 HydrophobicContact CB-CZ3 3.29Å; H315-W317 AromaticContact CD2-CE3 3.73Å; W317-V336 HydrophobicContact CD2-CG1 4.32Å; W317-V336 HydrophobicContact CG-CG1 3.95Å; W317-D338 HydrophobicContact CB-CB 3.83Å; W317-V377 HydrophobicContact CH2-CG1 3.73Å; W317-V377 HydrophobicContact CZ2-CG1 4.49Å; W317-I409 HydrophobicContact CZ2-CG2 4.45Å; W317-Y426 HydrophobicContact CZ2-CD1 4.32Å; W317-Y426 AromaticContact CZ2-CE1 3.63Å; W317-Y426 HydrophobicContact CZ2-CE1 3.63Å; W317-Y426 AromaticContact CZ2-CZ 3.78Å; W317-Y426 AromaticContact NE1-CZ 3.91Å; W317-Y426 PolarHBondContact NE1-OH 3.32Å
318T98.9Very high94.9Very high0 Ų034.1 Ų34.10%017%0.167CC..EExtended strand (participates in β ladder)trans-118.8129.1176.8-57.60000111.4S260 L263 T264 L267 A274 R275 L337S260-T318 PolarHBondContact O-OG1 3.16Å; S260-T318 PolarHBondContact OG-OG1 2.9Å; L263-T318 HydrophobicContact CG-CG2 4.29Å; T264-T318 VanDerWaalsContact OG1-CG2 3.27Å; T264-T318 WeakPolarHBondContact OG1-CG2 3.38Å; T264-T318 PolarHBondContact OG1-OG1 2.74Å; L267-T318 HydrophobicContact CD1-CG2 3.69Å; A274-T318 HydrophobicContact CB-CG2 4Å; R275-T318 CarbonylContact O-C 3.46Å; R275-T318 WeakPolarHBondContact O-CA 3.15Å; T318-L337 PolarHBondContact N-O 2.82Å; T318-L337 PolarHBondContact O-N 2.87Å; T318-L337 VanDerWaalsContact O-O 3.05Å
319D98.9Very high95.4Very high0 Ų037.2 Ų37.20%018%0.183CC..EExtended strand (participates in β ladder)trans-88.1133.6164.6-92.62.9000109.3A274 R275 V277 W334 Q335 Y426A274-D319 CarbonylContact C-O 3.56Å; A274-D319 WeakPolarHBondContact CA-O 3.22Å; R275-D319 HydrophobicContact CG-CB 3.72Å; R275-D319 IonicContact CZ-OD2 2.89Å; R275-D319 PolarHBondContact N-O 2.86Å; R275-D319 IonicContact NE-OD2 3.89Å; R275-D319 PolarHBondContact NE-OD2 2.58Å; R275-D319 IonicContact NH2-OD2 3.87Å; R275-D319 PolarHBondContact NH2-OD2 3.48Å; R275-D319 PolarHBondContact O-N 3.1Å; V277-D319 HydrophobicContact CG2-CB 3.95Å; D319-W334 HydrophobicContact CB-CD2 4.26Å; D319-W334 HydrophobicContact CB-CE3 3.64Å; D319-W334 HydrophobicContact CB-CZ3 4.17Å; D319-Q335 CarbonylContact C-O 3.46Å; D319-Q335 WeakPolarHBondContact CA-O 3.31Å; D319-Y426 PolarHBondContact OD1-OH 3.02Å; D319-Y426 PolarHBondContact OD2-OH 3.26Å; D319-Y426 VanDerWaalsContact OD2-OH 3.06Å
320A98.9Very high95.9Very high0 Ų039 Ų390%020%0.203CC..EExtended strand (participates in β ladder)trans-121.3137.6173.400000111.4L267 I272 P273 M322 Q335 L337L267-A320 HydrophobicContact CD1-CB 4.13Å; I272-A320 HydrophobicContact CG2-CB 4.09Å; P273-A320 WeakPolarHBondContact O-CA 3.1Å; A320-M322 HydrophobicContact CB-CE 3.59Å; A320-Q335 PolarHBondContact N-O 2.59Å; A320-Q335 PolarHBondContact O-N 2.87Å; A320-L337 HydrophobicContact CB-CD1 3.6Å
321W98.9Very high96.5Very high76 Ų7638.3 Ų38.329%0.28820%0.198SC..EExtended strand (participates in β ladder)trans-92.7121-178.4-178.6-90.4000111.7F138 M139 P273 W334F138-W321 PolarHBondContact O-NE1 2.94Å; M139-W321 HydrophobicContact CE-CB 3.67Å; M139-W321 HydrophobicContact CE-CD2 3.83Å; M139-W321 HydrophobicContact CE-CE3 4.26Å; M139-W321 HydrophobicContact CE-CG 3.56Å; P273-W321 HydrophobicContact CB-CB 3.97Å; P273-W321 HydrophobicContact CG-CB 4.22Å; P273-W321 PolarHBondContact O-N 3.14Å; W321-W334 HydrophobicContact CB-CE3 4.03Å; W321-W334 HydrophobicContact CB-CH2 4.32Å; W321-W334 HydrophobicContact CB-CZ3 3.9Å; W321-W334 AromaticContact CE3-CD1 3.93Å; W321-W334 AromaticContact CE3-CD2 3.85Å; W321-W334 HydrophobicContact CE3-CD2 3.85Å; W321-W334 AromaticContact CE3-CE2 3.76Å; W321-W334 HydrophobicContact CE3-CE3 4.41Å; W321-W334 AromaticContact CE3-CG 3.99Å; W321-W334 HydrophobicContact CE3-CG 3.99Å; W321-W334 HydrophobicContact CE3-CZ2 4.3Å; W321-W334 AromaticContact CE3-NE1 3.77Å; W321-W334 AromaticContact CZ3-CD1 3.9Å; W321-W334 HydrophobicContact CZ3-CG 4.36Å; W321-W334 AromaticContact CZ3-NE1 3.84Å
322M98.8Very high97Very high0 Ų041.7 Ų41.70%022%0.215CC..EExtended strand (participates in β ladder)trans-161.6159.7174.863.2-16476.800112.7S136 V137 P197 V198 I272 A320 G333 Q335S136-M322 CarbonylContact O-C 3.55Å; S136-M322 WeakPolarHBondContact O-CA 3.36Å; V137-M322 HydrophobicContact CG1-CB 4.4Å; P197-M322 HydrophobicContact CB-CB 4.15Å; P197-M322 HydrophobicContact CB-SD 4.16Å; P197-M322 HydrophobicContact CG-CB 3.94Å; P197-M322 HydrophobicContact CG-SD 4.35Å; V198-M322 HydrophobicContact CB-SD 4.35Å; V198-M322 HydrophobicContact CG2-SD 3.74Å; I272-M322 HydrophobicContact CG2-CE 4.29Å; A320-M322 HydrophobicContact CB-CE 3.59Å; M322-G333 PolarHBondContact N-O 3.06Å; M322-G333 PolarHBondContact O-N 3.22Å; M322-Q335 HydrophobicContact CE-CG 4.34Å; M322-Q335 HydrophobicContact CG-CG 3.64Å; M322-Q335 HydrophobicContact SD-CG 4.15Å
323K98.4Very high97.3Very high67 Ų6741 Ų4129%0.29122%0.215SC..  trans-72.6145.8162.5-63.9179.4-173.2158.50110.3S133 S136 Q325 D332S133-K323 PolarHBondContact O-NZ 2.55Å; S136-K323 PolarHBondContact O-N 3.27Å; K323-Q325 HydrophobicContact CB-CG 4.45Å; K323-D332 VanDerWaalsContact CA-OD1 3.29Å; K323-D332 WeakPolarHBondContact CA-OD1 3.47Å
324R97.8Very high97.6Very high2 Ų242.4 Ų42.41%0.00822%0.22CC..  trans-112.666.2177.6-69.3-60.8-58.7-85.13.3110.4D326 L327 H331 D332 Q335 P353 M367R324-D326 VanDerWaalsContact CA-OD1 3.32Å; R324-D326 WeakPolarHBondContact CA-OD1 3.3Å; R324-D326 IonicContact CZ-OD1 3.39Å; R324-D326 IonicContact CZ-OD2 2.62Å; R324-D326 IonicContact NE-OD1 2.7Å; R324-D326 PolarHBondContact NE-OD1 3.05Å; R324-D326 IonicContact NE-OD2 3.55Å; R324-D326 PolarHBondContact NE-OD2 3.02Å; R324-D326 IonicContact NH2-OD1 3.46Å; R324-D326 IonicContact NH2-OD2 2.92Å; R324-D326 PolarHBondContact NH2-OD2 2.8Å; R324-D326 PolarHBondContact O-N 2.79Å; R324-D326 VanDerWaalsContact O-N 3.14Å; R324-L327 HydrophobicContact CB-CB 4.07Å; R324-L327 HydrophobicContact CB-CD1 4.01Å; R324-L327 HydrophobicContact CB-CG 4.14Å; R324-L327 HydrophobicContact CG-CD1 4.21Å; R324-L327 PolarHBondContact O-N 3.26Å; R324-H331 HydrophobicContact CB-CB 4.23Å; R324-H331 WeakPolarHBondContact CG-O 3.4Å; R324-D332 PolarHBondContact N-OD1 3.05Å; R324-Q335 HydrophobicContact CG-CG 4.48Å; R324-Q335 VanDerWaalsContact CG-OE1 3.29Å; R324-P353 PolarHBondContact NH1-O 3.5Å; R324-M367 PolarHBondContact NH2-O 3.02Å
325Q95.6Very high97.8Very high163 Ų16342.1 Ų42.176%0.76222%0.218SC*.THydrogen-bonded Turntrans-63-16.2177.4-66.1176.3-20.400113K323 L327K323-Q325 HydrophobicContact CB-CG 4.45Å; Q325-L327 VanDerWaalsContact C-N 3.31Å
326D96.8Very high97.9Very high81 Ų8142.1 Ų42.143%0.43322%0.218SC..THydrogen-bonded Turntrans-78.5-10.6172.761.4-54.7000113.7R324R324-D326 VanDerWaalsContact CA-OD1 3.32Å; R324-D326 WeakPolarHBondContact CA-OD1 3.3Å; R324-D326 IonicContact CZ-OD1 3.39Å; R324-D326 IonicContact CZ-OD2 2.62Å; R324-D326 IonicContact NE-OD1 2.7Å; R324-D326 PolarHBondContact NE-OD1 3.05Å; R324-D326 IonicContact NE-OD2 3.55Å; R324-D326 PolarHBondContact NE-OD2 3.02Å; R324-D326 IonicContact NH2-OD1 3.46Å; R324-D326 IonicContact NH2-OD2 2.92Å; R324-D326 PolarHBondContact NH2-OD2 2.8Å; R324-D326 PolarHBondContact O-N 2.79Å; R324-D326 VanDerWaalsContact O-N 3.14Å
327L97.4Very high97.9Very high31 Ų3142.1 Ų42.116%0.16222%0.218CC..SBendtrans-119166.5-177-65.2-174000112.6R324 Q325 H331 P355 I366R324-L327 HydrophobicContact CB-CB 4.07Å; R324-L327 HydrophobicContact CB-CD1 4.01Å; R324-L327 HydrophobicContact CB-CG 4.14Å; R324-L327 HydrophobicContact CG-CD1 4.21Å; R324-L327 PolarHBondContact O-N 3.26Å; Q325-L327 VanDerWaalsContact C-N 3.31Å; L327-H331 HydrophobicContact CB-CB 4.18Å; L327-H331 HydrophobicContact CD1-CB 3.72Å; L327-P355 HydrophobicContact CD1-CG 3.57Å; L327-I366 HydrophobicContact CD1-CG2 3.47Å; L327-I366 VanDerWaalsContact CD1-CG2 3.47Å; L327-I366 HydrophobicContact CD2-CG2 4.13Å; L327-I366 HydrophobicContact CG-CG2 4.41Å
328P95.9Very high97.9Very high83 Ų8342.1 Ų42.154%0.53922%0.219SC..  trans-55.4156.4166.3-2535.3000112.9H331P328-H331 PolarHBondContact O-CD2 2.8Å
329Q95.3Very high97.8Very high197 Ų19742.1 Ų42.192%0.92122%0.219SC*.THydrogen-bonded Turntrans-58.4141.6178.5-171.5178.96.200111.8
330G95.8Very high97.7Very high46 Ų4642.2 Ų42.247%0.47422%0.219SC..THydrogen-bonded Turntrans1062.817900000114.8S357G330-S357 WeakPolarHBondContact O-CB 3.47Å; G330-S357 PolarHBondContact O-OG 3.48Å
331H97.9Very high97.3Very high11 Ų1143.9 Ų43.95%0.05123%0.23CC..  trans-109.47.5-178.8-62.1-50.6000114.7R324 L327 P328 Q335 P355 S357R324-H331 HydrophobicContact CB-CB 4.23Å; R324-H331 WeakPolarHBondContact CG-O 3.4Å; L327-H331 HydrophobicContact CB-CB 4.18Å; L327-H331 HydrophobicContact CD1-CB 3.72Å; P328-H331 PolarHBondContact O-CD2 2.8Å; H331-Q335 PolarHBondContact O-NE2 3.33Å; H331-P355 HydrophobicContact CB-CB 3.95Å; H331-P355 HydrophobicContact CB-CG 3.86Å; H331-S357 PolarHBondContact ND1-OG 3.43Å
332D98.1Very high96.6Very high85 Ų8541.3 Ų41.346%0.45522%0.221SC..  trans-68164.6171.4-64.2-16.1000112.1K323 R324K323-D332 VanDerWaalsContact CA-OD1 3.29Å; K323-D332 WeakPolarHBondContact CA-OD1 3.47Å; R324-D332 PolarHBondContact N-OD1 3.05Å
333G98.5Very high96.1Very high7 Ų742.5 Ų42.57%0.07223%0.227CC..EExtended strand (participates in β ladder)trans101-137.1174.600000111.8M322 Q335M322-G333 PolarHBondContact N-O 3.06Å; M322-G333 PolarHBondContact O-N 3.22Å; G333-Q335 PolarHBondContact O-N 3.38Å; G333-Q335 PolarHBondContact O-NE2 2.82Å
334W98.9Very high95.7Very high35 Ų3543.8 Ų43.813%0.13324%0.236CC..EExtended strand (participates in β ladder)trans-69.7128.6-177.8-67.2113.9000112.7M139 Y148 R275 D319 W321 V356M139-W334 HydrophobicContact CE-CH2 3.96Å; M139-W334 HydrophobicContact CE-CZ2 4.05Å; Y148-W334 HydrophobicContact CD1-CH2 4.21Å; Y148-W334 AromaticContact CD2-CH2 3.74Å; Y148-W334 HydrophobicContact CD2-CH2 3.74Å; Y148-W334 AromaticContact CD2-CZ2 3.82Å; Y148-W334 HydrophobicContact CD2-CZ2 3.82Å; Y148-W334 HydrophobicContact CE1-CH2 4.45Å; Y148-W334 HydrophobicContact CE2-CH2 4Å; Y148-W334 AromaticContact CE2-CZ2 3.65Å; Y148-W334 HydrophobicContact CE2-CZ2 3.65Å; Y148-W334 AromaticContact CG-CH2 3.84Å; Y148-W334 HydrophobicContact CG-CH2 3.84Å; Y148-W334 HydrophobicContact CG-CZ2 4.35Å; R275-W334 HydrophobicContact CG-CH2 4.09Å; R275-W334 HydrophobicContact CG-CZ3 4.07Å; D319-W334 HydrophobicContact CB-CD2 4.26Å; D319-W334 HydrophobicContact CB-CE3 3.64Å; D319-W334 HydrophobicContact CB-CZ3 4.17Å; W321-W334 HydrophobicContact CB-CE3 4.03Å; W321-W334 HydrophobicContact CB-CH2 4.32Å; W321-W334 HydrophobicContact CB-CZ3 3.9Å; W321-W334 AromaticContact CE3-CD1 3.93Å; W321-W334 AromaticContact CE3-CD2 3.85Å; W321-W334 HydrophobicContact CE3-CD2 3.85Å; W321-W334 AromaticContact CE3-CE2 3.76Å; W321-W334 HydrophobicContact CE3-CE3 4.41Å; W321-W334 AromaticContact CE3-CG 3.99Å; W321-W334 HydrophobicContact CE3-CG 3.99Å; W321-W334 HydrophobicContact CE3-CZ2 4.3Å; W321-W334 AromaticContact CE3-NE1 3.77Å; W321-W334 AromaticContact CZ3-CD1 3.9Å; W321-W334 HydrophobicContact CZ3-CG 4.36Å; W321-W334 AromaticContact CZ3-NE1 3.84Å; W334-V356 HydrophobicContact CB-CB 4.29Å; W334-V356 HydrophobicContact CB-CG2 3.88Å; W334-V356 WeakPolarHBondContact O-CB 3.46Å; W334-V356 WeakPolarHBondContact O-CG2 3.2Å; W334-V356 PolarHBondContact O-N 3.34Å
335Q98.9Very high95.4Very high0 Ų044 Ų440%024%0.238CC..EExtended strand (participates in β ladder)trans-122129.1177.4-43.1-62.7-58.100110D319 A320 M322 R324 H331 G333 P353 S354 P355D319-Q335 CarbonylContact C-O 3.46Å; D319-Q335 WeakPolarHBondContact CA-O 3.31Å; A320-Q335 PolarHBondContact N-O 2.59Å; A320-Q335 PolarHBondContact O-N 2.87Å; M322-Q335 HydrophobicContact CE-CG 4.34Å; M322-Q335 HydrophobicContact CG-CG 3.64Å; M322-Q335 HydrophobicContact SD-CG 4.15Å; R324-Q335 HydrophobicContact CG-CG 4.48Å; R324-Q335 VanDerWaalsContact CG-OE1 3.29Å; H331-Q335 PolarHBondContact O-NE2 3.33Å; G333-Q335 PolarHBondContact O-N 3.38Å; G333-Q335 PolarHBondContact O-NE2 2.82Å; Q335-P353 HydrophobicContact CB-CB 3.59Å; Q335-P353 HydrophobicContact CG-CB 4.15Å; Q335-S354 CarbonylContact C-O 3.59Å; Q335-S354 VanDerWaalsContact CA-O 3.3Å; Q335-S354 WeakPolarHBondContact CA-O 3.44Å; Q335-P355 VanDerWaalsContact OE1-CA 3.27Å
336V98.9Very high95.2Very high0 Ų042 Ų420%023%0.228CC..EExtended strand (participates in β ladder)trans-73.3131.2175.5177.20000110W317 G352 P353 S354 V356 I359 V373 Y426W317-V336 HydrophobicContact CD2-CG1 4.32Å; W317-V336 HydrophobicContact CG-CG1 3.95Å; V336-G352 WeakPolarHBondContact O-CA 3.49Å; V336-P353 CarbonylContact O-C 3.56Å; V336-P353 VanDerWaalsContact O-CA 3.26Å; V336-P353 WeakPolarHBondContact O-CA 3.18Å; V336-S354 PolarHBondContact N-O 3.22Å; V336-S354 PolarHBondContact O-N 3.3Å; V336-V356 HydrophobicContact CG2-CG2 3.89Å; V336-I359 HydrophobicContact CB-CD1 4.41Å; V336-I359 HydrophobicContact CG2-CD1 3.7Å; V336-V373 HydrophobicContact CB-CG1 4.23Å; V336-V373 HydrophobicContact CG1-CG1 3.93Å; V336-V373 HydrophobicContact CG1-CG2 4.09Å; V336-V373 HydrophobicContact CG2-CG1 4.05Å; V336-Y426 HydrophobicContact CG2-CE1 3.58Å
337L98.6Very high94.9Very high0 Ų041.3 Ų41.30%024%0.24CC..EExtended strand (participates in β ladder)trans-129.9128.4169.2-70.8157.1000108.6C205 L263 L267 T318 A320 I351 P353C205-L337 HydrophobicContact CB-CD2 4.1Å; L263-L337 HydrophobicContact CD2-CB 4Å; L267-L337 HydrophobicContact CD1-CD1 3.98Å; T318-L337 PolarHBondContact N-O 2.82Å; T318-L337 PolarHBondContact O-N 2.87Å; T318-L337 VanDerWaalsContact O-O 3.05Å; A320-L337 HydrophobicContact CB-CD1 3.6Å; L337-I351 WeakPolarHBondContact CA-O 3.35Å; L337-P353 HydrophobicContact CD2-CB 4.1Å; L337-P353 HydrophobicContact CG-CB 4.38Å
338D98.3Very high94.7Very high1 Ų143.2 Ų43.21%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-131.1120.1176-174.115.7000111.7C205 H315 W317 T340 Q342 I351C205-D338 PolarHBondContact SG-O 3.5Å; H315-D338 IonicContact CD2-OD2 3.54Å; H315-D338 IonicContact CE1-OD2 3.57Å; H315-D338 PolarHBondContact CE1-OD2 2.76Å; H315-D338 VanDerWaalsContact CE1-OD2 3.3Å; H315-D338 IonicContact NE2-OD2 2.88Å; H315-D338 PolarHBondContact NE2-OD2 2.74Å; W317-D338 HydrophobicContact CB-CB 3.83Å; D338-T340 WeakPolarHBondContact OD1-CB 3.33Å; D338-T340 PolarHBondContact OD1-N 2.9Å; D338-T340 PolarHBondContact OD1-OG1 2.9Å; D338-Q342 PolarHBondContact OD2-OE1 2.86Å; D338-I351 HydrophobicContact CB-CB 4.01Å; D338-I351 HydrophobicContact CB-CG2 4.45Å; D338-I351 PolarHBondContact N-O 2.69Å; D338-I351 PolarHBondContact O-N 3.42Å
339S96.9Very high94.5Very high0 Ų042 Ų420%024%0.235CC..  trans-95.90.817857.30000113.3C205 C209 F259C205-S339 WeakPolarHBondContact O-CB 3.48Å; C205-S339 PolarHBondContact SG-N 2.86Å; C209-S339 WeakPolarHBondContact CB-O 3.16Å; F259-S339 WeakPolarHBondContact CB-OG 3.49Å
340T96.6Very high94.5Very high1 Ų134.4 Ų34.41%0.00620%0.198CC..SBendtrans-66129.8173.6-50.30000108.6W221 C256 F259 D338 Q342W221-T340 HydrophobicContact CH2-CG2 3.66Å; W221-T340 HydrophobicContact CZ2-CG2 3.79Å; C256-T340 HydrophobicContact CB-CG2 4.12Å; F259-T340 HydrophobicContact CD2-CG2 4.45Å; D338-T340 WeakPolarHBondContact OD1-CB 3.33Å; D338-T340 PolarHBondContact OD1-N 2.9Å; D338-T340 PolarHBondContact OD1-OG1 2.9Å; T340-Q342 HydrophobicContact CG2-CG 4.15Å; T340-Q342 PolarHBondContact O-N 3.19Å
341P91.7Very high94.5Very high35 Ų3532.3 Ų32.323%0.22718%0.176CC..THydrogen-bonded Turntrans-75.271-177.929.1-33.8000112W221 F349W221-P341 HydrophobicContact CH2-CG 4.49Å; W221-P341 HydrophobicContact CZ3-CG 4.28Å; P341-F349 HydrophobicContact CB-CB 4.18Å; P341-F349 HydrophobicContact CB-CD1 3.72Å; P341-F349 HydrophobicContact CB-CE1 4.22Å; P341-F349 HydrophobicContact CB-CG 3.92Å
342Q83.8Confident94.4Very high22 Ų2231.8 Ų31.810%0.10317%0.173CC..THydrogen-bonded Turntrans-100.3-47.4174.4-78.4173.1-76.600111.6W312 H315 D338 T340 F372W312-Q342 HydrophobicContact CH2-CG 4.38Å; W312-Q342 HydrophobicContact CZ2-CG 4.42Å; H315-Q342 PolarHBondContact CE1-OE1 3.37Å; H315-Q342 PolarHBondContact NE2-OE1 3.11Å; D338-Q342 PolarHBondContact OD2-OE1 2.86Å; T340-Q342 HydrophobicContact CG2-CG 4.15Å; T340-Q342 PolarHBondContact O-N 3.19Å; Q342-F372 HydrophobicContact CB-CZ 4.21Å
343E88.1Confident94.4Very high25 Ų2527.8 Ų27.812%0.11715%0.152CC..  trans-126.9149.8-174.8-81.2-63.7140.700112.4K288 F349 R350 I351 F372K288-E343 VanDerWaalsContact CE-OE2 3.24Å; K288-E343 WeakPolarHBondContact CE-OE2 3.42Å; K288-E343 IonicContact NZ-OE2 3.52Å; K288-E343 PolarHBondContact NZ-OE2 2.86Å; E343-F349 WeakPolarHBondContact O-CA 3.39Å; E343-R350 PolarHBondContact O-N 2.76Å; E343-I351 HydrophobicContact CB-CD1 3.53Å; E343-I351 HydrophobicContact CB-CG1 4.33Å; E343-I351 HydrophobicContact CG-CD1 4.43Å; E343-F372 HydrophobicContact CB-CE2 4.45Å; E343-F372 HydrophobicContact CG-CD1 4.32Å; E343-F372 HydrophobicContact CG-CD2 3.41Å; E343-F372 VanDerWaalsContact CG-CD2 3.41Å; E343-F372 HydrophobicContact CG-CE1 4.26Å; E343-F372 HydrophobicContact CG-CE2 3.31Å; E343-F372 HydrophobicContact CG-CG 3.92Å; E343-F372 HydrophobicContact CG-CZ 3.77Å
344I89.9Confident94.4Very high94 Ų9427.4 Ų27.448%0.48215%0.148SC..EExtended strand (participates in β ladder)trans-99.8118175.7-62177.6000108.6Q348 F349I344-Q348 CarbonylContact C-O 3.56Å; I344-Q348 WeakPolarHBondContact CA-O 3.45Å; I344-F349 HydrophobicContact CD1-CE1 4.21Å; I344-F349 HydrophobicContact CD1-CE2 4.26Å; I344-F349 HydrophobicContact CD1-CZ 3.92Å; I344-F349 HydrophobicContact CG1-CD1 3.91Å; I344-F349 HydrophobicContact CG1-CD2 4.46Å; I344-F349 HydrophobicContact CG1-CE1 3.68Å; I344-F349 HydrophobicContact CG1-CE2 4.26Å; I344-F349 HydrophobicContact CG1-CG 4.31Å; I344-F349 HydrophobicContact CG1-CZ 3.87Å
345S91.9Very high94.4Very high8 Ų825.8 Ų25.86%0.05614%0.142CC..EExtended strand (participates in β ladder)trans-115.2118.9173.5-174.10000109.5R202 G347 Q348 R350 D369R202-S345 PolarHBondContact NH2-OG 3.3Å; S345-G347 VanDerWaalsContact C-N 3.28Å; S345-G347 PolarHBondContact O-N 2.91Å; S345-Q348 PolarHBondContact N-O 3.22Å; S345-Q348 PolarHBondContact O-N 3.03Å; S345-R350 WeakPolarHBondContact CB-O 3.43Å; S345-R350 PolarHBondContact O-NE 3.21Å; S345-D369 WeakPolarHBondContact CB-OD1 3.43Å; S345-D369 VanDerWaalsContact OG-CG 3.26Å; S345-D369 PolarHBondContact OG-OD1 2.95Å; S345-D369 PolarHBondContact OG-OD2 2.77Å
346E90.5Very high94.4Very high119 Ų11926.2 Ų26.256%0.55615%0.145SC*.THydrogen-bonded Turntrans54.841.6-177.7-58.8168.1143.800112.9R202 Q348 R350R202-E346 IonicContact CZ-OE2 2.65Å; R202-E346 IonicContact NE-OE2 3.19Å; R202-E346 IonicContact NH2-OE2 2.79Å; R202-E346 PolarHBondContact NH2-OE2 2.9Å; E346-Q348 VanDerWaalsContact C-N 3.33Å; E346-Q348 PolarHBondContact O-N 3.34Å; E346-R350 IonicContact OE2-CZ 2.71Å; E346-R350 IonicContact OE2-NE 3.62Å; E346-R350 IonicContact OE2-NH2 2.77Å; E346-R350 PolarHBondContact OE2-NH2 2.67Å
347G90.8Very high94.4Very high67 Ų6727.8 Ų27.869%0.69116%0.156SC*.THydrogen-bonded Turntrans80.95176.300000115.4S345S345-G347 VanDerWaalsContact C-N 3.28Å; S345-G347 PolarHBondContact O-N 2.91Å
348Q92.9Very high94.4Very high71 Ų7127.8 Ų27.833%0.33216%0.156SC..EExtended strand (participates in β ladder)trans-129.3147.9178.6-64.7179.5-14.800111.5T206 N212 I344 S345 E346 R350T206-Q348 HydrophobicContact CG2-CB 4.27Å; N212-Q348 WeakPolarHBondContact OD1-CA 3.46Å; I344-Q348 CarbonylContact C-O 3.56Å; I344-Q348 WeakPolarHBondContact CA-O 3.45Å; S345-Q348 PolarHBondContact N-O 3.22Å; S345-Q348 PolarHBondContact O-N 3.03Å; E346-Q348 VanDerWaalsContact C-N 3.33Å; E346-Q348 PolarHBondContact O-N 3.34Å; Q348-R350 HydrophobicContact CB-CG 4.34Å; Q348-R350 PolarHBondContact O-N 2.83Å
349F92.9Very high94.4Very high58 Ų5827.8 Ų27.825%0.25416%0.156SC..EExtended strand (participates in β ladder)trans-69.297.9169.2-74.3-75.9000110.3A211 N212 P341 E343 I344A211-F349 HydrophobicContact CB-CD2 3.47Å; A211-F349 VanDerWaalsContact CB-CD2 3.47Å; A211-F349 HydrophobicContact CB-CE2 3.85Å; A211-F349 HydrophobicContact CB-CG 4.24Å; N212-F349 PolarHBondContact ND2-O 3.41Å; N212-F349 PolarHBondContact OD1-N 2.91Å; P341-F349 HydrophobicContact CB-CB 4.18Å; P341-F349 HydrophobicContact CB-CD1 3.72Å; P341-F349 HydrophobicContact CB-CE1 4.22Å; P341-F349 HydrophobicContact CB-CG 3.92Å; E343-F349 WeakPolarHBondContact O-CA 3.39Å; I344-F349 HydrophobicContact CD1-CE1 4.21Å; I344-F349 HydrophobicContact CD1-CE2 4.26Å; I344-F349 HydrophobicContact CD1-CZ 3.92Å; I344-F349 HydrophobicContact CG1-CD1 3.91Å; I344-F349 HydrophobicContact CG1-CD2 4.46Å; I344-F349 HydrophobicContact CG1-CE1 3.68Å; I344-F349 HydrophobicContact CG1-CE2 4.26Å; I344-F349 HydrophobicContact CG1-CG 4.31Å; I344-F349 HydrophobicContact CG1-CZ 3.87Å
350R93.8Very high94.5Very high38 Ų3832.3 Ų32.314%0.14317%0.173CC..  trans-166.8148.2-179.764.5-168.1-177.4177.35.1109.8T206 E343 S345 E346 Q348T206-R350 WeakPolarHBondContact OG1-CD 3.35Å; T206-R350 PolarHBondContact OG1-NH1 3.16Å; E343-R350 PolarHBondContact O-N 2.76Å; S345-R350 WeakPolarHBondContact CB-O 3.43Å; S345-R350 PolarHBondContact O-NE 3.21Å; E346-R350 IonicContact OE2-CZ 2.71Å; E346-R350 IonicContact OE2-NE 3.62Å; E346-R350 IonicContact OE2-NH2 2.77Å; E346-R350 PolarHBondContact OE2-NH2 2.67Å; Q348-R350 HydrophobicContact CB-CG 4.34Å; Q348-R350 PolarHBondContact O-N 2.83Å
351I96.6Very high94.5Very high2 Ų236.2 Ų36.21%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-130.5138170.7-62.2-60.8000109.5L337 D338 E343 D369 F372 V373L337-I351 WeakPolarHBondContact CA-O 3.35Å; D338-I351 HydrophobicContact CB-CB 4.01Å; D338-I351 HydrophobicContact CB-CG2 4.45Å; D338-I351 PolarHBondContact N-O 2.69Å; D338-I351 PolarHBondContact O-N 3.42Å; E343-I351 HydrophobicContact CB-CD1 3.53Å; E343-I351 HydrophobicContact CB-CG1 4.33Å; E343-I351 HydrophobicContact CG-CD1 4.43Å; I351-D369 HydrophobicContact CD1-CB 4Å; I351-D369 HydrophobicContact CG2-CB 3.94Å; I351-F372 HydrophobicContact CD1-CD1 3.78Å; I351-F372 HydrophobicContact CD1-CE1 4.25Å; I351-F372 HydrophobicContact CD1-CG 4.35Å; I351-F372 HydrophobicContact CG1-CD1 3.97Å; I351-F372 HydrophobicContact CG1-CE1 4.06Å; I351-F372 HydrophobicContact CG2-CD1 4.2Å; I351-V373 HydrophobicContact CG2-CG2 3.51Å
352G96.6Very high94.8Very high0 Ų034.6 Ų34.60%018%0.18CC..EExtended strand (participates in β ladder)trans84.5176171.300000115.1R202 V336 D369R202-G352 WeakPolarHBondContact CD-O 3.44Å; R202-G352 WeakPolarHBondContact CG-O 3.41Å; R202-G352 PolarHBondContact NH1-O 2.86Å; V336-G352 WeakPolarHBondContact O-CA 3.49Å; G352-D369 PolarHBondContact N-OD2 3.04Å
353P98.3Very high95.4Very high0 Ų034.6 Ų34.60%018%0.181CC..EExtended strand (participates in β ladder)cis-77.2118.418.626-32.1000113.5V198 R324 Q335 V336 L337 Y368V198-P353 HydrophobicContact CB-CG 4.4Å; V198-P353 HydrophobicContact CG1-CG 3.66Å; R324-P353 PolarHBondContact NH1-O 3.5Å; Q335-P353 HydrophobicContact CB-CB 3.59Å; Q335-P353 HydrophobicContact CG-CB 4.15Å; V336-P353 CarbonylContact O-C 3.56Å; V336-P353 VanDerWaalsContact O-CA 3.26Å; V336-P353 WeakPolarHBondContact O-CA 3.18Å; L337-P353 HydrophobicContact CD2-CB 4.1Å; L337-P353 HydrophobicContact CG-CB 4.38Å; P353-Y368 HydrophobicContact CG-CD2 4.21Å; P353-Y368 PolarHBondContact O-N 2.87Å
354S98.5Very high95.7Very high0 Ų034.4 Ų34.40%018%0.181CC..EExtended strand (participates in β ladder)trans-100123176.1-44.10000109.9Q335 V336 V356 Y368Q335-S354 CarbonylContact C-O 3.59Å; Q335-S354 VanDerWaalsContact CA-O 3.3Å; Q335-S354 WeakPolarHBondContact CA-O 3.44Å; V336-S354 PolarHBondContact N-O 3.22Å; V336-S354 PolarHBondContact O-N 3.3Å; S354-V356 PolarHBondContact O-N 2.94Å; S354-Y368 VanDerWaalsContact CB-O 3.26Å; S354-Y368 WeakPolarHBondContact CB-O 3.44Å; S354-Y368 PolarHBondContact OG-O 2.89Å
355P98.6Very high96Very high0 Ų035.8 Ų35.80%019%0.186CC..EExtended strand (participates in β ladder)trans-65.2124.8-178.6-1829.4000111.8L327 H331 Q335 S357 A358 I359 I366L327-P355 HydrophobicContact CD1-CG 3.57Å; H331-P355 HydrophobicContact CB-CB 3.95Å; H331-P355 HydrophobicContact CB-CG 3.86Å; Q335-P355 VanDerWaalsContact OE1-CA 3.27Å; P355-S357 PolarHBondContact O-N 2.99Å; P355-A358 HydrophobicContact CB-CB 3.91Å; P355-A358 HydrophobicContact CG-CB 4.2Å; P355-A358 WeakPolarHBondContact O-CB 3.43Å; P355-A358 PolarHBondContact O-N 2.95Å; P355-I359 WeakPolarHBondContact O-CG1 3.39Å; P355-I359 PolarHBondContact O-N 3.32Å; P355-I366 HydrophobicContact CG-CG2 3.87Å
356V98.8Very high96.2Very high10 Ų1036.3 Ų36.36%0.06119%0.188CC..Hα-helixtrans-57.6-34.1175.1173.10000110.9W334 V336 S354 A358 I359 R360 H425 Y426W334-V356 HydrophobicContact CB-CB 4.29Å; W334-V356 HydrophobicContact CB-CG2 3.88Å; W334-V356 WeakPolarHBondContact O-CB 3.46Å; W334-V356 WeakPolarHBondContact O-CG2 3.2Å; W334-V356 PolarHBondContact O-N 3.34Å; V336-V356 HydrophobicContact CG2-CG2 3.89Å; S354-V356 PolarHBondContact O-N 2.94Å; V356-A358 VanDerWaalsContact C-N 3.34Å; V356-A358 PolarHBondContact O-N 2.77Å; V356-I359 PolarHBondContact O-N 3.3Å; V356-R360 PolarHBondContact O-N 2.84Å; V356-H425 HydrophobicContact CG1-CB 4.12Å; V356-H425 WeakPolarHBondContact CG1-O 3.38Å; V356-Y426 HydrophobicContact CG1-CD1 4.21Å; V356-Y426 HydrophobicContact CG1-CD2 4.28Å; V356-Y426 HydrophobicContact CG1-CE1 4.26Å; V356-Y426 HydrophobicContact CG1-CE2 4.34Å; V356-Y426 HydrophobicContact CG1-CG 4.22Å; V356-Y426 HydrophobicContact CG2-CD1 4.48Å; V356-Y426 HydrophobicContact CG2-CE1 3.81Å
357S98.3Very high96.4Very high33 Ų3334.9 Ų34.923%0.23118%0.182CC..Hα-helixtrans-65.1-33.317569.40000113.7G330 H331 P355 Q361G330-S357 WeakPolarHBondContact O-CB 3.47Å; G330-S357 PolarHBondContact O-OG 3.48Å; H331-S357 PolarHBondContact ND1-OG 3.43Å; P355-S357 PolarHBondContact O-N 2.99Å; S357-Q361 VanDerWaalsContact O-CG 3.31Å; S357-Q361 WeakPolarHBondContact O-CG 3.29Å; S357-Q361 PolarHBondContact O-N 2.96Å; S357-Q361 PolarHBondContact O-NE2 2.85Å
358A98.4Very high96.7Very high0 Ų033.7 Ų33.70%016%0.157CC..Hα-helixtrans-74.8-42.1177.300000110.9P355 V356 Q361 G362 L363 I366 T370P355-A358 HydrophobicContact CB-CB 3.91Å; P355-A358 HydrophobicContact CG-CB 4.2Å; P355-A358 WeakPolarHBondContact O-CB 3.43Å; P355-A358 PolarHBondContact O-N 2.95Å; V356-A358 VanDerWaalsContact C-N 3.34Å; V356-A358 PolarHBondContact O-N 2.77Å; A358-Q361 PolarHBondContact O-N 2.92Å; A358-G362 PolarHBondContact O-N 2.84Å; A358-G362 VanDerWaalsContact O-N 3.16Å; A358-L363 HydrophobicContact CB-CB 4.03Å; A358-L363 PolarHBondContact O-N 3.37Å; A358-I366 HydrophobicContact CB-CB 4.02Å; A358-I366 HydrophobicContact CB-CG1 4.27Å; A358-I366 HydrophobicContact CB-CG2 4.14Å; A358-T370 HydrophobicContact CB-CG2 4.19Å
359I98.6Very high96.8Very high0 Ų031.8 Ų31.80%015%0.149CC..Hα-helixtrans-56.5-52.4174.4-63.5160.1000109.6V336 P355 V356 Q361 G362 T370 V373 F374 V377 Y426V336-I359 HydrophobicContact CB-CD1 4.41Å; V336-I359 HydrophobicContact CG2-CD1 3.7Å; P355-I359 WeakPolarHBondContact O-CG1 3.39Å; P355-I359 PolarHBondContact O-N 3.32Å; V356-I359 PolarHBondContact O-N 3.3Å; I359-Q361 PolarHBondContact O-N 3.47Å; I359-Q361 VanDerWaalsContact O-N 3.1Å; I359-G362 PolarHBondContact O-N 3.18Å; I359-G362 VanDerWaalsContact O-N 3.1Å; I359-T370 HydrophobicContact CG1-CG2 3.86Å; I359-V373 HydrophobicContact CD1-CB 3.95Å; I359-V373 HydrophobicContact CD1-CG1 3.39Å; I359-V373 HydrophobicContact CG1-CB 4.37Å; I359-V373 HydrophobicContact CG1-CG1 4.19Å; I359-F374 HydrophobicContact CG2-CD2 4.32Å; I359-F374 WeakPolarHBondContact O-CD2 3.09Å; I359-F374 VanDerWaalsContact O-CE2 3.22Å; I359-F374 WeakPolarHBondContact O-CE2 3.41Å; I359-V377 HydrophobicContact CG2-CG2 3.81Å; I359-Y426 HydrophobicContact CD1-CD1 4.48Å; I359-Y426 HydrophobicContact CG2-CD1 4.28Å
360R98.4Very high97Very high95 Ų9529 Ų2936%0.35814%0.137SC..Hα-helixtrans-55.7-34.6178.7-174.8176.8173-175.82.9114.2V356 L424 H425 Y426 F428V356-R360 PolarHBondContact O-N 2.84Å; R360-L424 PolarHBondContact NE-O 3.38Å; R360-L424 PolarHBondContact NH1-O 3.3Å; R360-H425 WeakPolarHBondContact CB-O 3.29Å; R360-H425 WeakPolarHBondContact CD-O 3.29Å; R360-Y426 WeakPolarHBondContact CA-O 3.5Å; R360-Y426 PolarHBondContact N-O 2.87Å; R360-F428 HydrophobicContact CG-CD2 4.43Å; R360-F428 HydrophobicContact CG-CE2 4.16Å; R360-F428 HydrophobicContact CG-CZ 4.2Å; R360-F428 WeakPolarHBondContact O-CD2 3.18Å; R360-F428 WeakPolarHBondContact O-CE2 3.17Å
361Q97.8Very high97Very high84 Ų8429.9 Ų29.939%0.39315%0.147SC..THydrogen-bonded Turntrans-92.30.5-175.6-69.6177.865.100114.2S357 A358 I359 L363 K441S357-Q361 VanDerWaalsContact O-CG 3.31Å; S357-Q361 WeakPolarHBondContact O-CG 3.29Å; S357-Q361 PolarHBondContact O-N 2.96Å; S357-Q361 PolarHBondContact O-NE2 2.85Å; A358-Q361 PolarHBondContact O-N 2.92Å; I359-Q361 PolarHBondContact O-N 3.47Å; I359-Q361 VanDerWaalsContact O-N 3.1Å; Q361-L363 VanDerWaalsContact C-N 3.27Å; Q361-L363 HydrophobicContact CB-CD1 3.95Å; Q361-L363 HydrophobicContact CB-CG 4Å; Q361-L363 PolarHBondContact O-N 2.87Å; Q361-K441 VanDerWaalsContact O-CD 3.3Å; Q361-K441 WeakPolarHBondContact O-CD 3.46Å
362G96.8Very high96.9Very high0 Ų030.7 Ų30.70%015%0.15CC..THydrogen-bonded Turntrans65.528.1-173.900000113.8A358 I359 V364 F374A358-G362 PolarHBondContact O-N 2.84Å; A358-G362 VanDerWaalsContact O-N 3.16Å; I359-G362 PolarHBondContact O-N 3.18Å; I359-G362 VanDerWaalsContact O-N 3.1Å; G362-V364 VanDerWaalsContact C-N 3.25Å; G362-V364 PolarHBondContact O-N 3.21Å; G362-V364 VanDerWaalsContact O-N 3.15Å; G362-F374 VanDerWaalsContact CA-CE2 3.43Å
363L97.1Very high97Very high22 Ų2230.7 Ų30.712%0.11515%0.15CC..  trans-8759.7178.2-73.1171.1000111A358 Q361 Q365 I366 K441A358-L363 HydrophobicContact CB-CB 4.03Å; A358-L363 PolarHBondContact O-N 3.37Å; Q361-L363 VanDerWaalsContact C-N 3.27Å; Q361-L363 HydrophobicContact CB-CD1 3.95Å; Q361-L363 HydrophobicContact CB-CG 4Å; Q361-L363 PolarHBondContact O-N 2.87Å; L363-Q365 PolarHBondContact O-N 3.01Å; L363-Q365 VanDerWaalsContact O-N 3.16Å; L363-I366 HydrophobicContact CB-CG1 3.95Å; L363-I366 WeakPolarHBondContact O-CB 3.16Å; L363-I366 WeakPolarHBondContact O-CG1 3.48Å; L363-I366 PolarHBondContact O-N 3.28Å; L363-I366 VanDerWaalsContact O-N 3.1Å; L363-K441 HydrophobicContact CD2-CD 4.3Å
364V95.2Very high96.9Very high21 Ų2130.7 Ų30.713%0.12715%0.15CC..THydrogen-bonded Turntrans-64.9-18.9-170-63.30000115G362 I366 T371 F374 A442G362-V364 VanDerWaalsContact C-N 3.25Å; G362-V364 PolarHBondContact O-N 3.21Å; G362-V364 VanDerWaalsContact O-N 3.15Å; V364-I366 VanDerWaalsContact C-N 3.26Å; V364-I366 PolarHBondContact O-N 2.79Å; V364-T371 PolarHBondContact O-OG1 3.4Å; V364-F374 HydrophobicContact CG1-CB 3.75Å; V364-F374 HydrophobicContact CG1-CD1 4.07Å; V364-F374 HydrophobicContact CG1-CD2 4.22Å; V364-F374 HydrophobicContact CG1-CG 3.74Å; V364-A442 HydrophobicContact CG1-CB 3.62Å; V364-A442 HydrophobicContact CG2-CB 4.3Å
365Q94.5Very high96.7Very high123 Ų12330.9 Ų30.958%0.57515%0.151SC*.THydrogen-bonded Turntrans-74.3-13.5175.576.5-77.21200114.1L363 M367L363-Q365 PolarHBondContact O-N 3.01Å; L363-Q365 VanDerWaalsContact O-N 3.16Å; Q365-M367 PolarHBondContact O-N 3.02Å
366I97.1Very high96.6Very high20 Ų2030.9 Ų30.910%0.10315%0.151CC..SBendtrans-73.6125.5178.9-62.6-63.8000108.8L327 P355 A358 L363 V364 T370L327-I366 HydrophobicContact CD1-CG2 3.47Å; L327-I366 VanDerWaalsContact CD1-CG2 3.47Å; L327-I366 HydrophobicContact CD2-CG2 4.13Å; L327-I366 HydrophobicContact CG-CG2 4.41Å; P355-I366 HydrophobicContact CG-CG2 3.87Å; A358-I366 HydrophobicContact CB-CB 4.02Å; A358-I366 HydrophobicContact CB-CG1 4.27Å; A358-I366 HydrophobicContact CB-CG2 4.14Å; L363-I366 HydrophobicContact CB-CG1 3.95Å; L363-I366 WeakPolarHBondContact O-CB 3.16Å; L363-I366 WeakPolarHBondContact O-CG1 3.48Å; L363-I366 PolarHBondContact O-N 3.28Å; L363-I366 VanDerWaalsContact O-N 3.1Å; V364-I366 VanDerWaalsContact C-N 3.26Å; V364-I366 PolarHBondContact O-N 2.79Å; I366-T370 WeakPolarHBondContact O-CB 3.19Å; I366-T370 PolarHBondContact O-OG1 2.92Å
367M94.8Very high96.6Very high89 Ų8930.4 Ų30.444%0.43815%0.149SC..THydrogen-bonded Turntrans-73.8148.9179.3-65.9-65-77.500111.5R324 Q365R324-M367 PolarHBondContact NH2-O 3.02Å; Q365-M367 PolarHBondContact O-N 3.02Å
368Y95.9Very high96.5Very high42 Ų4229.1 Ų29.117%0.16514%0.139CC..THydrogen-bonded Turncis-103.8149.13.1-63.9-94.5000110.6V198 R202 P353 S354 T370V198-Y368 HydrophobicContact CG1-CE2 4.11Å; R202-Y368 VanDerWaalsContact CZ-CD1 3.47Å; P353-Y368 HydrophobicContact CG-CD2 4.21Å; P353-Y368 PolarHBondContact O-N 2.87Å; S354-Y368 VanDerWaalsContact CB-O 3.26Å; S354-Y368 WeakPolarHBondContact CB-O 3.44Å; S354-Y368 PolarHBondContact OG-O 2.89Å; Y368-T370 PolarHBondContact O-N 3.48Å; Y368-T370 PolarHBondContact O-OG1 2.9Å
369D95.8Very high96.2Very high30 Ų3029.2 Ų29.216%0.1614%0.14CC..THydrogen-bonded Turntrans56.217.3162.4-45.5-51.4000116.2R202 S345 I351 G352 T371 F372 V373R202-D369 IonicContact CZ-OD2 2.74Å; R202-D369 IonicContact NH1-OD2 3.58Å; R202-D369 PolarHBondContact NH1-OD2 2.9Å; R202-D369 IonicContact NH2-OD2 3.52Å; S345-D369 WeakPolarHBondContact CB-OD1 3.43Å; S345-D369 VanDerWaalsContact OG-CG 3.26Å; S345-D369 PolarHBondContact OG-OD1 2.95Å; S345-D369 PolarHBondContact OG-OD2 2.77Å; I351-D369 HydrophobicContact CD1-CB 4Å; I351-D369 HydrophobicContact CG2-CB 3.94Å; G352-D369 PolarHBondContact N-OD2 3.04Å; D369-T371 VanDerWaalsContact C-N 3.26Å; D369-T371 PolarHBondContact O-N 3.1Å; D369-F372 PolarHBondContact O-N 2.68Å; D369-V373 PolarHBondContact O-N 3.46Å
370T96.4Very high95.9Very high1 Ų129.4 Ų29.41%0.00614%0.141CC..Hα-helixtrans-62-33.2-171.7-60.20000112.3A358 I359 I366 Y368 F372 V373 F374A358-T370 HydrophobicContact CB-CG2 4.19Å; I359-T370 HydrophobicContact CG1-CG2 3.86Å; I366-T370 WeakPolarHBondContact O-CB 3.19Å; I366-T370 PolarHBondContact O-OG1 2.92Å; Y368-T370 PolarHBondContact O-N 3.48Å; Y368-T370 PolarHBondContact O-OG1 2.9Å; T370-F372 VanDerWaalsContact C-N 3.34Å; T370-F372 PolarHBondContact O-N 3.45Å; T370-V373 PolarHBondContact O-N 3.14Å; T370-F374 WeakPolarHBondContact O-CB 3.42Å; T370-F374 PolarHBondContact O-N 3.37Å
371T95.1Very high95.6Very high55 Ų5525 Ų2534%0.33712%0.124SC..Hα-helixtrans-54.7-47.9173.2-49.10000112.2L290 V364 D369 F374 T375L290-T371 HydrophobicContact CD2-CG2 3.63Å; V364-T371 PolarHBondContact O-OG1 3.4Å; D369-T371 VanDerWaalsContact C-N 3.26Å; D369-T371 PolarHBondContact O-N 3.1Å; T371-F374 PolarHBondContact O-N 2.66Å; T371-T375 PolarHBondContact O-N 2.98Å; T371-T375 PolarHBondContact O-OG1 3.1Å; T371-T375 VanDerWaalsContact O-OG1 3.08Å
372F94.6Very high95.3Very high20 Ų2021.5 Ų21.59%0.08811%0.108CC..Hα-helixtrans-64.4-51.7-178173.8-104000110.8H284 Q342 E343 I351 D369 T370 F374 T375 E376H284-F372 AromaticContact ND1-CE2 3.77Å; H284-F372 AromaticContact ND1-CZ 3.96Å; Q342-F372 HydrophobicContact CB-CZ 4.21Å; E343-F372 HydrophobicContact CB-CE2 4.45Å; E343-F372 HydrophobicContact CG-CD1 4.32Å; E343-F372 HydrophobicContact CG-CD2 3.41Å; E343-F372 VanDerWaalsContact CG-CD2 3.41Å; E343-F372 HydrophobicContact CG-CE1 4.26Å; E343-F372 HydrophobicContact CG-CE2 3.31Å; E343-F372 HydrophobicContact CG-CG 3.92Å; E343-F372 HydrophobicContact CG-CZ 3.77Å; I351-F372 HydrophobicContact CD1-CD1 3.78Å; I351-F372 HydrophobicContact CD1-CE1 4.25Å; I351-F372 HydrophobicContact CD1-CG 4.35Å; I351-F372 HydrophobicContact CG1-CD1 3.97Å; I351-F372 HydrophobicContact CG1-CE1 4.06Å; I351-F372 HydrophobicContact CG2-CD1 4.2Å; D369-F372 PolarHBondContact O-N 2.68Å; T370-F372 VanDerWaalsContact C-N 3.34Å; T370-F372 PolarHBondContact O-N 3.45Å; F372-F374 VanDerWaalsContact C-N 3.26Å; F372-F374 PolarHBondContact O-N 3.21Å; F372-T375 WeakPolarHBondContact O-CB 3.33Å; F372-T375 PolarHBondContact O-N 2.62Å; F372-T375 VanDerWaalsContact O-N 3.07Å; F372-E376 HydrophobicContact CD1-CG 4.31Å; F372-E376 HydrophobicContact CE1-CG 3.91Å; F372-E376 WeakPolarHBondContact CE1-OE2 3.25Å; F372-E376 HydrophobicContact CE2-CG 4.39Å; F372-E376 HydrophobicContact CZ-CG 3.97Å; F372-E376 WeakPolarHBondContact O-CG 3.26Å; F372-E376 PolarHBondContact O-N 2.94Å
373V97Very high95.2Very high0 Ų021.5 Ų21.50%011%0.108CC..Hα-helixtrans-63.5-34.8-179.7-172.80000111.5V336 I351 I359 D369 T370 E376 V377V336-V373 HydrophobicContact CB-CG1 4.23Å; V336-V373 HydrophobicContact CG1-CG1 3.93Å; V336-V373 HydrophobicContact CG1-CG2 4.09Å; V336-V373 HydrophobicContact CG2-CG1 4.05Å; I351-V373 HydrophobicContact CG2-CG2 3.51Å; I359-V373 HydrophobicContact CD1-CB 3.95Å; I359-V373 HydrophobicContact CD1-CG1 3.39Å; I359-V373 HydrophobicContact CG1-CB 4.37Å; I359-V373 HydrophobicContact CG1-CG1 4.19Å; D369-V373 PolarHBondContact O-N 3.46Å; T370-V373 PolarHBondContact O-N 3.14Å; V373-E376 PolarHBondContact O-N 3.46Å; V373-V377 PolarHBondContact O-N 3.11Å
374F97.4Very high95.1Very high0 Ų023.2 Ų23.20%011%0.112CC..Hα-helixtrans-61.5-46.1173.4-175.9-88.8000111.3L290 I359 G362 V364 T370 T371 F372 E376 V377 N378 M439 A442L290-F374 HydrophobicContact CD2-CD1 4.29Å; I359-F374 HydrophobicContact CG2-CD2 4.32Å; I359-F374 WeakPolarHBondContact O-CD2 3.09Å; I359-F374 VanDerWaalsContact O-CE2 3.22Å; I359-F374 WeakPolarHBondContact O-CE2 3.41Å; G362-F374 VanDerWaalsContact CA-CE2 3.43Å; V364-F374 HydrophobicContact CG1-CB 3.75Å; V364-F374 HydrophobicContact CG1-CD1 4.07Å; V364-F374 HydrophobicContact CG1-CD2 4.22Å; V364-F374 HydrophobicContact CG1-CG 3.74Å; T370-F374 WeakPolarHBondContact O-CB 3.42Å; T370-F374 PolarHBondContact O-N 3.37Å; T371-F374 PolarHBondContact O-N 2.66Å; F372-F374 VanDerWaalsContact C-N 3.26Å; F372-F374 PolarHBondContact O-N 3.21Å; F374-E376 VanDerWaalsContact C-N 3.32Å; F374-E376 PolarHBondContact O-N 3.48Å; F374-V377 PolarHBondContact O-N 2.77Å; F374-N378 HydrophobicContact CD1-CB 4.03Å; F374-N378 WeakPolarHBondContact CD2-ND2 3.27Å; F374-N378 HydrophobicContact CE1-CB 3.59Å; F374-N378 HydrophobicContact CE2-CB 4.15Å; F374-N378 WeakPolarHBondContact CE2-ND2 3.34Å; F374-N378 HydrophobicContact CG-CB 4.49Å; F374-N378 HydrophobicContact CZ-CB 3.66Å; F374-N378 WeakPolarHBondContact O-CB 3.44Å; F374-N378 PolarHBondContact O-N 3.18Å; F374-M439 HydrophobicContact CE1-SD 3.79Å; F374-M439 HydrophobicContact CZ-SD 4.38Å; F374-A442 HydrophobicContact CD1-CB 3.89Å; F374-A442 HydrophobicContact CE1-CB 3.45Å; F374-A442 VanDerWaalsContact CE1-CB 3.45Å; F374-A442 HydrophobicContact CE2-CB 4.33Å; F374-A442 HydrophobicContact CG-CB 4.49Å; F374-A442 HydrophobicContact CZ-CB 3.71Å
375T95.1Very high95Very high3 Ų322.2 Ų22.22%0.01811%0.107CC..Hα-helixtrans-61.4-42176.7-50.90000111.7A283 D285 L290 T371 F372 V377 N378 G379A283-T375 HydrophobicContact CB-CG2 4.42Å; A283-T375 WeakPolarHBondContact CB-O 3.38Å; D285-T375 HydrophobicContact CB-CG2 3.42Å; D285-T375 VanDerWaalsContact CB-CG2 3.42Å; L290-T375 WeakPolarHBondContact CD2-OG1 3.29Å; T371-T375 PolarHBondContact O-N 2.98Å; T371-T375 PolarHBondContact O-OG1 3.1Å; T371-T375 VanDerWaalsContact O-OG1 3.08Å; F372-T375 WeakPolarHBondContact O-CB 3.33Å; F372-T375 PolarHBondContact O-N 2.62Å; F372-T375 VanDerWaalsContact O-N 3.07Å; T375-V377 PolarHBondContact O-N 2.73Å; T375-N378 PolarHBondContact O-N 3.5Å; T375-G379 WeakPolarHBondContact O-CA 3.39Å; T375-G379 PolarHBondContact O-N 2.95Å
376E96.4Very high95Very high1 Ų116.8 Ų16.81%0.0058%0.082CC..Hα-helixtrans-53.8-31.8179.9-66.6-146.988.800113.1N279 S282 A283 H315 F372 V373 F374 I405N279-E376 PolarHBondContact ND2-O 2.82Å; S282-E376 PolarHBondContact OG-OE1 3.35Å; A283-E376 PolarHBondContact N-O 3.1Å; A283-E376 WeakPolarHBondContact O-CA 3.3Å; A283-E376 WeakPolarHBondContact O-CG 3.44Å; H315-E376 IonicContact CD2-OE1 3.55Å; H315-E376 PolarHBondContact CD2-OE1 3.41Å; H315-E376 IonicContact CD2-OE2 2.77Å; H315-E376 IonicContact NE2-OE1 2.75Å; F372-E376 HydrophobicContact CD1-CG 4.31Å; F372-E376 HydrophobicContact CE1-CG 3.91Å; F372-E376 WeakPolarHBondContact CE1-OE2 3.25Å; F372-E376 HydrophobicContact CE2-CG 4.39Å; F372-E376 HydrophobicContact CZ-CG 3.97Å; F372-E376 WeakPolarHBondContact O-CG 3.26Å; F372-E376 PolarHBondContact O-N 2.94Å; V373-E376 PolarHBondContact O-N 3.46Å; F374-E376 VanDerWaalsContact C-N 3.32Å; F374-E376 PolarHBondContact O-N 3.48Å; E376-I405 WeakPolarHBondContact O-CG2 3Å
377V97.4Very high94.4Very high0 Ų018.8 Ų18.80%09%0.09CC..Hα-helixtrans-111.3-14.6-176.5-54.90000114.9W317 I359 V373 F374 T375 G406 I409 K427W317-V377 HydrophobicContact CH2-CG1 3.73Å; W317-V377 HydrophobicContact CZ2-CG1 4.49Å; I359-V377 HydrophobicContact CG2-CG2 3.81Å; V373-V377 PolarHBondContact O-N 3.11Å; F374-V377 PolarHBondContact O-N 2.77Å; T375-V377 PolarHBondContact O-N 2.73Å; V377-G406 WeakPolarHBondContact O-CA 3.22Å; V377-I409 HydrophobicContact CB-CD1 4.11Å; V377-I409 HydrophobicContact CG1-CD1 3.81Å; V377-K427 WeakPolarHBondContact O-CD 3.49Å; V377-K427 WeakPolarHBondContact O-CE 3.23Å; V377-K427 PolarHBondContact O-NZ 3.22Å
378N95.8Very high93.4Very high6 Ų623.2 Ų23.23%0.03211%0.109CC..Hα-helixtrans-129.2-0.1-176.3-69.7-62.3000114.7F374 T375 D380 K427F374-N378 HydrophobicContact CD1-CB 4.03Å; F374-N378 WeakPolarHBondContact CD2-ND2 3.27Å; F374-N378 HydrophobicContact CE1-CB 3.59Å; F374-N378 HydrophobicContact CE2-CB 4.15Å; F374-N378 WeakPolarHBondContact CE2-ND2 3.34Å; F374-N378 HydrophobicContact CG-CB 4.49Å; F374-N378 HydrophobicContact CZ-CB 3.66Å; F374-N378 WeakPolarHBondContact O-CB 3.44Å; F374-N378 PolarHBondContact O-N 3.18Å; T375-N378 PolarHBondContact O-N 3.5Å; N378-D380 PolarHBondContact O-N 3.14Å; N378-K427 VanDerWaalsContact OD1-CB 3.29Å; N378-K427 WeakPolarHBondContact OD1-CB 3.47Å; N378-K427 WeakPolarHBondContact OD1-CE 3.38Å
379G93.1Very high92.1Very high1 Ų126.2 Ų26.21%0.0113%0.128CC..PPolyproline II helixtrans-55.5131.6-177.700000112.6T375 I405T375-G379 WeakPolarHBondContact O-CA 3.39Å; T375-G379 PolarHBondContact O-N 2.95Å; G379-I405 VanDerWaalsContact O-CB 3.24Å; G379-I405 WeakPolarHBondContact O-CB 3.16Å; G379-I405 WeakPolarHBondContact O-CG1 3.35Å
380D92Very high90Very high5 Ų534.8 Ų34.83%0.02717%0.167CC..EExtended strand (participates in β ladder)trans-81.2131.6172.1-75.2-25000108.9R291 V292 N378 Y382 T402 R436R291-D380 VanDerWaalsContact CA-O 3.3Å; R291-D380 WeakPolarHBondContact CA-O 3.46Å; V292-D380 PolarHBondContact N-O 3.1Å; N378-D380 PolarHBondContact O-N 3.14Å; D380-Y382 HydrophobicContact CB-CD2 4.31Å; D380-Y382 HydrophobicContact CB-CE2 3.66Å; D380-Y382 WeakPolarHBondContact O-CD2 3.43Å; D380-T402 VanDerWaalsContact OD1-CA 3.29Å; D380-T402 WeakPolarHBondContact OD1-CA 3.17Å; D380-T402 WeakPolarHBondContact OD1-CB 3.41Å; D380-R436 IonicContact OD1-CZ 3.57Å; D380-R436 IonicContact OD1-NH1 3.49Å; D380-R436 PolarHBondContact OD1-NH1 2.85Å; D380-R436 IonicContact OD1-NH2 3.43Å; D380-R436 PolarHBondContact OD1-NH2 2.9Å; D380-R436 IonicContact OD2-NH1 2.82Å; D380-R436 PolarHBondContact OD2-NH1 2.91Å
381K92.3Very high88.3Confident3 Ų343.8 Ų43.81%0.01321%0.209CC..EExtended strand (participates in β ladder)trans-91.9124.4179.2-171.8-162.9-60.31640110.8V292 I294 V400 E401 S404 D562V292-K381 HydrophobicContact CB-CG 4.39Å; V292-K381 HydrophobicContact CG1-CG 4.37Å; V292-K381 CarbonylContact O-C 3.6Å; V292-K381 WeakPolarHBondContact O-CA 3.28Å; I294-K381 HydrophobicContact CG1-CG 4.3Å; K381-V400 CarbonylContact O-C 3.5Å; K381-V400 WeakPolarHBondContact O-CA 3.44Å; K381-E401 HydrophobicContact CB-CB 4.29Å; K381-E401 PolarHBondContact N-O 2.94Å; K381-E401 IonicContact NZ-OE2 3.49Å; K381-E401 PolarHBondContact NZ-OE2 2.91Å; K381-E401 PolarHBondContact O-N 3.01Å; K381-S404 WeakPolarHBondContact CB-OG 3.41Å; K381-S404 WeakPolarHBondContact CE-OG 3.44Å; K381-D562 IonicContact NZ-OD1 2.69Å; K381-D562 PolarHBondContact NZ-OD1 2.85Å; K381-D562 IonicContact NZ-OD2 2.6Å; K381-D562 PolarHBondContact NZ-OD2 2.9Å
382Y92.4Very high86.8Confident10 Ų1051.3 Ų51.34%0.03923%0.232CC..EExtended strand (participates in β ladder)trans-108.8128.4178.3-73.3-116.8000109.2R291 V292 D293 I294 D380 W384 L397 V400R291-Y382 HydrophobicContact CB-CD2 4.1Å; R291-Y382 HydrophobicContact CB-CE2 4.22Å; R291-Y382 HydrophobicContact CG-CD2 4.29Å; R291-Y382 HydrophobicContact CG-CE2 3.9Å; V292-Y382 PolarHBondContact O-N 3.43Å; D293-Y382 WeakPolarHBondContact OD1-CB 3.33Å; I294-Y382 PolarHBondContact N-O 3.46Å; D380-Y382 HydrophobicContact CB-CD2 4.31Å; D380-Y382 HydrophobicContact CB-CE2 3.66Å; D380-Y382 WeakPolarHBondContact O-CD2 3.43Å; Y382-W384 AromaticContact CD1-CZ2 3.96Å; Y382-W384 HydrophobicContact CD1-CZ2 3.96Å; Y382-L397 HydrophobicContact CD1-CD1 3.69Å; Y382-L397 HydrophobicContact CD1-CD2 3.96Å; Y382-L397 HydrophobicContact CE1-CD2 4.18Å; Y382-L397 HydrophobicContact CG-CD1 4.3Å; Y382-V400 HydrophobicContact CD1-CG2 3.7Å; Y382-V400 HydrophobicContact CD2-CG1 4.38Å; Y382-V400 HydrophobicContact CE1-CG1 4.37Å; Y382-V400 HydrophobicContact CE1-CG2 3.67Å; Y382-V400 HydrophobicContact CE2-CG1 4.01Å; Y382-V400 HydrophobicContact CG-CG2 4.19Å
383I93.8Very high85.8Confident0 Ų055.2 Ų55.20%025%0.25CS..EExtended strand (participates in β ladder)trans-111.1114176.4-54.8179.9000108.7I294 L296 I398 A399 A560I294-I383 CarbonylContact O-C 3.5Å; I294-I383 WeakPolarHBondContact O-CA 3.31Å; L296-I383 HydrophobicContact CD1-CG2 3.48Å; L296-I383 VanDerWaalsContact CD1-CG2 3.48Å; L296-I383 HydrophobicContact CG-CG2 3.92Å; I383-I398 HydrophobicContact CG2-CD1 4.26Å; I383-I398 HydrophobicContact CG2-CG1 4.02Å; I383-I398 VanDerWaalsContact O-CG1 3.3Å; I383-I398 WeakPolarHBondContact O-CG1 3.5Å; I383-I398 PolarHBondContact O-N 2.89Å; I383-A399 HydrophobicContact CB-CB 3.94Å; I383-A399 HydrophobicContact CD1-CB 4.08Å; I383-A399 HydrophobicContact CG1-CB 4.19Å; I383-A399 PolarHBondContact N-O 3.12Å; I383-A399 PolarHBondContact O-N 3.17Å; I383-A399 VanDerWaalsContact O-N 3.12Å; I383-A560 HydrophobicContact CD1-CB 4.35Å; I383-A560 HydrophobicContact CG2-CB 3.99Å
384W94.6Very high85.3Confident57 Ų5761.2 Ų61.222%0.21628%0.276CS..EExtended strand (participates in β ladder)trans-102.8137-179.8-57.192.3000110.4D293 I294 Y295 L296 Y382 N395 V396 L397D293-W384 PolarHBondContact OD1-NE1 3.4Å; I294-W384 PolarHBondContact O-N 3.23Å; Y295-W384 WeakPolarHBondContact CA-O 3.27Å; Y295-W384 HydrophobicContact CD1-CB 3.56Å; Y295-W384 HydrophobicContact CD1-CG 4.05Å; Y295-W384 HydrophobicContact CE1-CB 3.78Å; Y295-W384 AromaticContact CE1-CD1 3.87Å; Y295-W384 HydrophobicContact CE1-CD2 4.45Å; Y295-W384 AromaticContact CE1-CG 3.77Å; Y295-W384 HydrophobicContact CE1-CG 3.77Å; Y295-W384 HydrophobicContact CG-CB 4.23Å; Y295-W384 AromaticContact CZ-CD1 3.87Å; L296-W384 PolarHBondContact N-O 3.15Å; Y382-W384 AromaticContact CD1-CZ2 3.96Å; Y382-W384 HydrophobicContact CD1-CZ2 3.96Å; W384-N395 HydrophobicContact CE3-CB 4.34Å; W384-V396 WeakPolarHBondContact CA-O 3.28Å; W384-L397 HydrophobicContact CD2-CB 4.43Å; W384-L397 HydrophobicContact CD2-CD1 3.92Å; W384-L397 HydrophobicContact CE3-CB 3.76Å; W384-L397 HydrophobicContact CE3-CD1 4.12Å; W384-L397 HydrophobicContact CH2-CB 4.04Å; W384-L397 HydrophobicContact CH2-CD1 4.14Å; W384-L397 HydrophobicContact CH2-CD2 4.25Å; W384-L397 HydrophobicContact CH2-CG 4.38Å; W384-L397 HydrophobicContact CZ2-CD1 3.94Å; W384-L397 HydrophobicContact CZ3-CB 3.55Å; W384-L397 HydrophobicContact CZ3-CD1 4.24Å; W384-L397 HydrophobicContact CZ3-CG 4.34Å
385L94.1Very high85Confident1 Ų164.2 Ų64.21%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-99126.9168.7-173.867.5000110.2D297 K387 N395 V396 I398 I549D297-L385 VanDerWaalsContact O-CD1 3.25Å; D297-L385 WeakPolarHBondContact O-CD1 3.44Å; L385-K387 HydrophobicContact CD2-CG 4.5Å; L385-N395 CarbonylContact O-C 3.59Å; L385-N395 WeakPolarHBondContact O-CA 3.49Å; L385-V396 PolarHBondContact N-O 3.2Å; L385-V396 PolarHBondContact O-N 2.84Å; L385-I398 HydrophobicContact CB-CD1 3.91Å; L385-I398 HydrophobicContact CB-CG1 4.08Å; L385-I398 HydrophobicContact CB-CG2 3.75Å; L385-I398 HydrophobicContact CD1-CD1 4.48Å; L385-I398 HydrophobicContact CD2-CG2 4.44Å; L385-I549 HydrophobicContact CD1-CD1 3.87Å
386V93.1Very high84.8Confident9 Ų966.3 Ų66.36%0.05531%0.305CS..EExtended strand (participates in β ladder)trans-96.8113.8177.8-174.30000109.2Y295 L296 I303 L306 E393 N395Y295-V386 HydrophobicContact CD1-CG2 3.95Å; Y295-V386 HydrophobicContact CG-CG2 4.48Å; L296-V386 PolarHBondContact O-N 3.45Å; I303-V386 HydrophobicContact CD1-CB 3.49Å; I303-V386 VanDerWaalsContact CD1-CB 3.49Å; I303-V386 HydrophobicContact CD1-CG1 3.99Å; I303-V386 HydrophobicContact CD1-CG2 3.55Å; L306-V386 HydrophobicContact CD1-CG1 4.43Å; L306-V386 HydrophobicContact CD1-CG2 3.84Å; V386-E393 HydrophobicContact CG1-CG 3.42Å; V386-E393 VanDerWaalsContact CG1-CG 3.42Å; V386-N395 WeakPolarHBondContact CG2-OD1 3.49Å
387K85.8Confident84.5Confident61 Ų6167.8 Ų67.827%0.26531%0.312SS..EExtended strand (participates in β ladder)trans-96.4125.4173.8-68.3-170.1171.1-165.70110L385 N389 K394L385-K387 HydrophobicContact CD2-CG 4.5Å; K387-N389 PolarHBondContact O-N 3.26Å; K387-K394 PolarHBondContact N-O 2.97Å; K387-K394 PolarHBondContact O-N 2.76Å; K387-K394 VanDerWaalsContact O-N 3.13Å
388Q72.9Confident84.2Confident183 Ų18367.9 Ų67.986%0.85531%0.313SS*.EExtended strand (participates in β ladder)trans-83.9102.2167.7-72.1-171.2-8.500109.3
389N67.9Low84Confident105 Ų10567.9 Ų67.956%0.56131%0.314SS*.  trans-96.3153.5164.5-75.2-3.3000109.3K387 E391 R392K387-N389 PolarHBondContact O-N 3.26Å; N389-E391 PolarHBondContact O-N 3.32Å; N389-R392 PolarHBondContact N-O 2.78Å; N389-R392 PolarHBondContact O-N 3Å
390Q53.5Low83.9Confident209 Ų20969.8 Ų69.898%0.97733%0.325SS*.SBendtrans-55-11.9-172.3-69.3177.4-10.500115.7
391E59.1Low83.8Confident190 Ų19071.2 Ų71.289%0.88833%0.332SS*.SBendtrans-131.7-18.5179.5-64.6-175.1165.300115.6N389N389-E391 PolarHBondContact O-N 3.32Å
392R63.8Low83.7Confident214 Ų21473.9 Ų73.981%0.80835%0.348SS*.  trans-155.5145.3178.3-71-168.5179.4176.3-0.5113.5N389N389-R392 PolarHBondContact N-O 2.78Å; N389-R392 PolarHBondContact O-N 3Å
393E75.2Confident83.6Confident102 Ų10275.3 Ų75.348%0.47736%0.362SS..EExtended strand (participates in β ladder)trans-68.5129.9166.6-170.9176104.400110.3V386V386-E393 HydrophobicContact CG1-CG 3.42Å; V386-E393 VanDerWaalsContact CG1-CG 3.42Å
394K85.3Confident83.5Confident126 Ų12675.7 Ų75.755%0.54837%0.365SS..EExtended strand (participates in β ladder)trans-123.1119.2174.8-175178.6179.2178.30110.5K387 V396K387-K394 PolarHBondContact N-O 2.97Å; K387-K394 PolarHBondContact O-N 2.76Å; K387-K394 VanDerWaalsContact O-N 3.13Å; K394-V396 HydrophobicContact CG-CG2 4.3Å
395N90.5Very high83.5Confident62 Ų6273 Ų7333%0.33236%0.355SS..EExtended strand (participates in β ladder)trans-91.9123176.3-60.9-18.7000109.7W384 L385 V386W384-N395 HydrophobicContact CE3-CB 4.34Å; L385-N395 CarbonylContact O-C 3.59Å; L385-N395 WeakPolarHBondContact O-CA 3.49Å; V386-N395 WeakPolarHBondContact CG2-OD1 3.49Å
396V91.1Very high83.6Confident48 Ų4873 Ų7329%0.29136%0.355SS..EExtended strand (participates in β ladder)trans-115.8120-179.5-178.40000108.3W384 L385 K394 I398W384-V396 WeakPolarHBondContact CA-O 3.28Å; L385-V396 PolarHBondContact N-O 3.2Å; L385-V396 PolarHBondContact O-N 2.84Å; K394-V396 HydrophobicContact CG-CG2 4.3Å; V396-I398 HydrophobicContact CG1-CG2 4.17Å; V396-I398 PolarHBondContact O-N 3.24Å
397L91.1Very high83.8Confident31 Ų3175.9 Ų75.916%0.16237%0.367CS..EExtended strand (participates in β ladder)trans-66.7117.2175.4-173.356.8000109.5Y382 W384 A399 V400 L451 R454Y382-L397 HydrophobicContact CD1-CD1 3.69Å; Y382-L397 HydrophobicContact CD1-CD2 3.96Å; Y382-L397 HydrophobicContact CE1-CD2 4.18Å; Y382-L397 HydrophobicContact CG-CD1 4.3Å; W384-L397 HydrophobicContact CD2-CB 4.43Å; W384-L397 HydrophobicContact CD2-CD1 3.92Å; W384-L397 HydrophobicContact CE3-CB 3.76Å; W384-L397 HydrophobicContact CE3-CD1 4.12Å; W384-L397 HydrophobicContact CH2-CB 4.04Å; W384-L397 HydrophobicContact CH2-CD1 4.14Å; W384-L397 HydrophobicContact CH2-CD2 4.25Å; W384-L397 HydrophobicContact CH2-CG 4.38Å; W384-L397 HydrophobicContact CZ2-CD1 3.94Å; W384-L397 HydrophobicContact CZ3-CB 3.55Å; W384-L397 HydrophobicContact CZ3-CD1 4.24Å; W384-L397 HydrophobicContact CZ3-CG 4.34Å; L397-A399 VanDerWaalsContact CD1-O 3.3Å; L397-A399 WeakPolarHBondContact CD1-O 3.26Å; L397-V400 HydrophobicContact CD1-CG2 4.06Å; L397-V400 HydrophobicContact CD2-CG2 3.74Å; L397-V400 HydrophobicContact CG-CG2 4.15Å; L397-L451 HydrophobicContact CD2-CD1 3.74Å; L397-L451 HydrophobicContact CG-CD1 3.88Å; L397-R454 PolarHBondContact O-NH2 2.99Å
398I91.2Very high84.3Confident2 Ų275.5 Ų75.51%0.0137%0.368CS..EExtended strand (participates in β ladder)trans-117-4.7-177.462.8160.2000113.9I383 L385 V396 R454 I549 R558 A560I383-I398 HydrophobicContact CG2-CD1 4.26Å; I383-I398 HydrophobicContact CG2-CG1 4.02Å; I383-I398 VanDerWaalsContact O-CG1 3.3Å; I383-I398 WeakPolarHBondContact O-CG1 3.5Å; I383-I398 PolarHBondContact O-N 2.89Å; L385-I398 HydrophobicContact CB-CD1 3.91Å; L385-I398 HydrophobicContact CB-CG1 4.08Å; L385-I398 HydrophobicContact CB-CG2 3.75Å; L385-I398 HydrophobicContact CD1-CD1 4.48Å; L385-I398 HydrophobicContact CD2-CG2 4.44Å; V396-I398 HydrophobicContact CG1-CG2 4.17Å; V396-I398 PolarHBondContact O-N 3.24Å; I398-R454 VanDerWaalsContact CA-NH2 3.35Å; I398-R454 PolarHBondContact O-NH1 3.3Å; I398-I549 HydrophobicContact CD1-CD1 4.1Å; I398-I549 HydrophobicContact CD1-CG1 4.12Å; I398-I549 HydrophobicContact CD1-CG2 4.4Å; I398-R558 HydrophobicContact CB-CB 4.49Å; I398-R558 HydrophobicContact CG2-CB 3.99Å; I398-A560 HydrophobicContact CD1-CB 3.54Å; I398-A560 HydrophobicContact CG1-CB 4.03Å; I398-A560 PolarHBondContact O-N 3.24Å
399A91.2Very high85.5Confident7 Ų766.8 Ų66.86%0.05833%0.327CS..EExtended strand (participates in β ladder)trans-160.5153.2162.200000111.7I383 L397 A560I383-A399 HydrophobicContact CB-CB 3.94Å; I383-A399 HydrophobicContact CD1-CB 4.08Å; I383-A399 HydrophobicContact CG1-CB 4.19Å; I383-A399 PolarHBondContact N-O 3.12Å; I383-A399 PolarHBondContact O-N 3.17Å; I383-A399 VanDerWaalsContact O-N 3.12Å; L397-A399 VanDerWaalsContact CD1-O 3.3Å; L397-A399 WeakPolarHBondContact CD1-O 3.26Å; A399-A560 HydrophobicContact CB-CB 4.4Å; A399-A560 VanDerWaalsContact CB-O 3.28Å; A399-A560 WeakPolarHBondContact CB-O 3.42Å
400V89.9Confident87Confident40 Ų4061.8 Ų61.824%0.24230%0.3CS..EExtended strand (participates in β ladder)trans-131.7121.3163.5179.70000106.4K381 Y382 L397 T402 L451K381-V400 CarbonylContact O-C 3.5Å; K381-V400 WeakPolarHBondContact O-CA 3.44Å; Y382-V400 HydrophobicContact CD1-CG2 3.7Å; Y382-V400 HydrophobicContact CD2-CG1 4.38Å; Y382-V400 HydrophobicContact CE1-CG1 4.37Å; Y382-V400 HydrophobicContact CE1-CG2 3.67Å; Y382-V400 HydrophobicContact CE2-CG1 4.01Å; Y382-V400 HydrophobicContact CG-CG2 4.19Å; L397-V400 HydrophobicContact CD1-CG2 4.06Å; L397-V400 HydrophobicContact CD2-CG2 3.74Å; L397-V400 HydrophobicContact CG-CG2 4.15Å; V400-T402 HydrophobicContact CG1-CG2 4.02Å; V400-L451 HydrophobicContact CB-CD2 3.76Å; V400-L451 HydrophobicContact CG2-CD1 4.33Å; V400-L451 HydrophobicContact CG2-CD2 3.72Å; V400-L451 HydrophobicContact CG2-CG 4.5Å
401E90.4Very high89.1Confident35 Ų3552 Ų5216%0.16425%0.254CS..EExtended strand (participates in β ladder)trans-111.8107.3177.2-58.9-178.6162.700108.9K381 S404 T561K381-E401 HydrophobicContact CB-CB 4.29Å; K381-E401 PolarHBondContact N-O 2.94Å; K381-E401 IonicContact NZ-OE2 3.49Å; K381-E401 PolarHBondContact NZ-OE2 2.91Å; K381-E401 PolarHBondContact O-N 3.01Å; E401-S404 WeakPolarHBondContact CB-OG 3.36Å; E401-S404 PolarHBondContact O-OG 3.24Å; E401-S404 VanDerWaalsContact OE2-CB 3.23Å; E401-S404 WeakPolarHBondContact OE2-CB 3.24Å; E401-S404 PolarHBondContact OE2-OG 2.56Å; E401-T561 PolarHBondContact OE1-OG1 3.25Å
402T90.9Very high91Very high59 Ų5943.3 Ų43.336%0.36221%0.214SC..SBendtrans-89.6-12.5-174.758.90000114D380 V400 R436D380-T402 VanDerWaalsContact OD1-CA 3.29Å; D380-T402 WeakPolarHBondContact OD1-CA 3.17Å; D380-T402 WeakPolarHBondContact OD1-CB 3.41Å; V400-T402 HydrophobicContact CG1-CG2 4.02Å; T402-R436 PolarHBondContact O-NH2 3.35Å; T402-R436 VanDerWaalsContact O-NH2 3.11Å
403A90.8Very high92.6Very high40 Ų4034.8 Ų34.833%0.33118%0.183SC..SBendtrans-122.921.6-176.500000112.1K407 E430A403-K407 WeakPolarHBondContact O-CE 3.27Å; A403-K407 PolarHBondContact O-NZ 2.87Å; A403-E430 HydrophobicContact CB-CB 4Å; A403-E430 HydrophobicContact CB-CG 3.91Å
404S91.1Very high93.7Very high8 Ų831.5 Ų31.56%0.05617%0.17CC..SBendtrans-88.7-31.8-17860.70000113.2E281 K381 E401 K407E281-S404 VanDerWaalsContact CB-O 3.24Å; E281-S404 WeakPolarHBondContact CB-O 3.43Å; K381-S404 WeakPolarHBondContact CB-OG 3.41Å; K381-S404 WeakPolarHBondContact CE-OG 3.44Å; E401-S404 WeakPolarHBondContact CB-OG 3.36Å; E401-S404 PolarHBondContact O-OG 3.24Å; E401-S404 VanDerWaalsContact OE2-CB 3.23Å; E401-S404 WeakPolarHBondContact OE2-CB 3.24Å; E401-S404 PolarHBondContact OE2-OG 2.56Å; S404-K407 VanDerWaalsContact O-CE 3.23Å; S404-K407 WeakPolarHBondContact O-CE 3.47Å
405I95.3Very high94.1Very high2 Ų228.8 Ų28.81%0.0118%0.178CC..SBendtrans-92.5147.2-177.1-60.2-55.3000111.6E281 A283 V311 E376 G379 K427E281-I405 WeakPolarHBondContact O-CA 3.47Å; E281-I405 WeakPolarHBondContact O-CG2 3.31Å; A283-I405 HydrophobicContact CB-CD1 4.07Å; A283-I405 HydrophobicContact CB-CG1 4.19Å; A283-I405 HydrophobicContact CB-CG2 3.65Å; V311-I405 HydrophobicContact CB-CD1 4.26Å; V311-I405 HydrophobicContact CG1-CD1 3.61Å; V311-I405 HydrophobicContact CG2-CD1 3.59Å; E376-I405 WeakPolarHBondContact O-CG2 3Å; G379-I405 VanDerWaalsContact O-CB 3.24Å; G379-I405 WeakPolarHBondContact O-CB 3.16Å; G379-I405 WeakPolarHBondContact O-CG1 3.35Å; I405-K427 PolarHBondContact O-NZ 3.18Å
406G96.4Very high94.3Very high0 Ų030 Ų300%018%0.182CC..SBendtrans78.548.3167.500000114.3N279 F280 E281 V377N279-G406 WeakPolarHBondContact OD1-CA 2.98Å; F280-G406 PolarHBondContact O-N 2.86Å; E281-G406 PolarHBondContact O-N 2.55Å; V377-G406 WeakPolarHBondContact O-CA 3.22Å
407K95.8Very high94.2Very high70 Ų7031.8 Ų31.830%0.30419%0.19SC..EExtended strand (participates in β ladder)trans-97.3149.1-173.2-68.6-176.7177.61670112.1A161 F280 E281 A403 S404 I409A161-K407 HydrophobicContact CB-CB 3.79Å; A161-K407 HydrophobicContact CB-CD 4.04Å; F280-K407 HydrophobicContact CB-CB 4.39Å; F280-K407 VanDerWaalsContact CB-O 3.31Å; F280-K407 WeakPolarHBondContact CB-O 3.43Å; F280-K407 PolarHBondContact N-O 3.45Å; F280-K407 PolarHBondContact O-N 2.77Å; E281-K407 HydrophobicContact CG-CD 4.19Å; A403-K407 WeakPolarHBondContact O-CE 3.27Å; A403-K407 PolarHBondContact O-NZ 2.87Å; S404-K407 VanDerWaalsContact O-CE 3.23Å; S404-K407 WeakPolarHBondContact O-CE 3.47Å; K407-I409 PolarHBondContact O-N 2.79Å; K407-I409 VanDerWaalsContact O-N 3.08Å
408N97.1Very high94.4Very high53 Ų5335.9 Ų35.928%0.28320%0.203SC..EExtended strand (participates in β ladder)trans48.743.4166.2-70.9-19.5000112.4A161 I164 F280 S410 R419 T423A161-N408 PolarHBondContact O-ND2 2.94Å; I164-N408 HydrophobicContact CD1-CB 4.01Å; F280-N408 HydrophobicContact CD2-CB 3.83Å; F280-N408 WeakPolarHBondContact CD2-O 3.21Å; F280-N408 HydrophobicContact CE2-CB 4.44Å; N408-S410 PolarHBondContact O-N 3.08Å; N408-S410 PolarHBondContact O-OG 2.97Å; N408-R419 VanDerWaalsContact CB-NH2 3.33Å; N408-R419 PolarHBondContact O-NH2 3.49Å; N408-T423 WeakPolarHBondContact CA-OG1 3.34Å; N408-T423 PolarHBondContact N-OG1 3.01Å
409I98.6Very high94.6Very high0 Ų039 Ų390%022%0.215CC..EExtended strand (participates in β ladder)trans-59.9119.1-177-56.5171.5000107.6V277 T278 N279 W317 V377 K407 I422 T423 Y426V277-I409 HydrophobicContact CG1-CG2 3.37Å; T278-I409 CarbonylContact O-C 3.5Å; T278-I409 VanDerWaalsContact O-CA 3.23Å; T278-I409 WeakPolarHBondContact O-CA 3.37Å; N279-I409 HydrophobicContact CB-CG1 4.46Å; N279-I409 WeakPolarHBondContact OD1-CG1 3.28Å; W317-I409 HydrophobicContact CZ2-CG2 4.45Å; V377-I409 HydrophobicContact CB-CD1 4.11Å; V377-I409 HydrophobicContact CG1-CD1 3.81Å; K407-I409 PolarHBondContact O-N 2.79Å; K407-I409 VanDerWaalsContact O-N 3.08Å; I409-I422 HydrophobicContact CB-CG1 4.45Å; I409-I422 HydrophobicContact CG2-CD1 4.39Å; I409-I422 HydrophobicContact CG2-CG1 3.99Å; I409-I422 VanDerWaalsContact O-CG1 3.31Å; I409-I422 WeakPolarHBondContact O-CG1 3.22Å; I409-I422 PolarHBondContact O-N 3.19Å; I409-T423 HydrophobicContact CD1-CG2 4.44Å; I409-T423 HydrophobicContact CG1-CG2 4.48Å; I409-T423 PolarHBondContact N-OG1 3.41Å; I409-T423 PolarHBondContact O-N 2.85Å; I409-Y426 HydrophobicContact CB-CD2 4.42Å; I409-Y426 HydrophobicContact CD1-CD2 3.98Å; I409-Y426 HydrophobicContact CD1-CG 3.82Å; I409-Y426 HydrophobicContact CG2-CD2 3.77Å; I409-Y426 HydrophobicContact CG2-CE2 3.7Å
410S98.6Very high94.9Very high0 Ų041.2 Ų41.20%022%0.224CC..EExtended strand (participates in β ladder)trans-124.4141.8-160.8-630000112.1V277 T278 N408 R419 Q420V277-S410 CarbonylContact C-O 3.52Å; V277-S410 WeakPolarHBondContact CA-O 3.05Å; T278-S410 PolarHBondContact N-O 2.98Å; T278-S410 PolarHBondContact O-N 3.05Å; N408-S410 PolarHBondContact O-N 3.08Å; N408-S410 PolarHBondContact O-OG 2.97Å; S410-R419 PolarHBondContact OG-NE 3.35Å; S410-R419 PolarHBondContact OG-NH2 3.21Å; S410-R419 VanDerWaalsContact OG-NH2 3.14Å; S410-Q420 WeakPolarHBondContact CA-O 3.24Å
411T98.6Very high95.4Very high3 Ų342.7 Ų42.72%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-138.9168.4166.1-1650000109.8Y157 R275 S276 Q420 I422Y157-T411 VanDerWaalsContact CE2-C 3.43Å; Y157-T411 WeakPolarHBondContact CE2-O 3.44Å; R275-T411 WeakPolarHBondContact CD-OG1 3.36Å; S276-T411 WeakPolarHBondContact O-CB 3.32Å; S276-T411 PolarHBondContact O-OG1 3.25Å; T411-Q420 HydrophobicContact CG2-CB 4.32Å; T411-Q420 PolarHBondContact N-O 2.71Å; T411-Q420 PolarHBondContact O-N 2.84Å; T411-I422 HydrophobicContact CG2-CD1 3.91Å; T411-I422 HydrophobicContact CG2-CG1 4.43Å; T411-I422 HydrophobicContact CG2-CG2 3.96Å
412K98.1Very high95.7Very high8 Ų841.1 Ų41.14%0.03522%0.223CC..EExtended strand (participates in β ladder)trans-71.1135.8175.1-178.7-174.5167.1-64.50108.9E147 Y155 E416 N417E147-K412 VanDerWaalsContact OE1-CD 3.29Å; E147-K412 WeakPolarHBondContact OE1-CD 3.2Å; E147-K412 WeakPolarHBondContact OE1-CE 3.31Å; E147-K412 IonicContact OE1-NZ 3.47Å; E147-K412 PolarHBondContact OE1-NZ 3.2Å; E147-K412 IonicContact OE2-NZ 3.19Å; E147-K412 PolarHBondContact OE2-NZ 3.28Å; Y155-K412 HydrophobicContact CD2-CD 4.01Å; K412-E416 VanDerWaalsContact CE-O 3.25Å; K412-E416 WeakPolarHBondContact CE-O 3.37Å; K412-E416 WeakPolarHBondContact CG-O 3.31Å; K412-E416 PolarHBondContact NZ-O 3.33Å; K412-N417 WeakPolarHBondContact CE-OD1 3.27Å
413M97.6Very high96.1Very high34 Ų3439.3 Ų39.317%0.16721%0.212CC..PPolyproline II helixtrans-67.4143.7174.9-170.9163.6-69.600112.1G415 E416 R418 Q420M413-G415 PolarHBondContact O-N 3.5Å; M413-E416 HydrophobicContact CB-CB 4.27Å; M413-E416 HydrophobicContact CG-CB 4.41Å; M413-E416 PolarHBondContact O-N 3.03Å; M413-R418 HydrophobicContact CB-CG 4.09Å; M413-R418 WeakPolarHBondContact CB-O 3.42Å; M413-R418 PolarHBondContact N-O 3.33Å; M413-R418 HydrophobicContact SD-CG 4.31Å; M413-R418 PolarHBondContact SD-NE 2.91Å; M413-R418 VanDerWaalsContact SD-NE 3.44Å; M413-R418 PolarHBondContact SD-NH2 3.18Å; M413-Q420 HydrophobicContact CB-CB 4.07Å; M413-Q420 HydrophobicContact CE-CB 3.88Å; M413-Q420 HydrophobicContact CE-CG 3.96Å
414V98.1Very high96.5Very high34 Ų3441.9 Ų41.921%0.20622%0.22CC..THydrogen-bonded Turntrans-57.2124.4174.9178.20000110.2E143 D144 E147 Y148 E416E143-V414 HydrophobicContact CB-CG1 3.77Å; E143-V414 WeakPolarHBondContact O-CG1 3.32Å; D144-V414 WeakPolarHBondContact OD1-CG2 3.4Å; E147-V414 HydrophobicContact CB-CB 4.42Å; E147-V414 HydrophobicContact CB-CG1 4.05Å; E147-V414 HydrophobicContact CB-CG2 4.36Å; E147-V414 HydrophobicContact CG-CG2 4.38Å; Y148-V414 HydrophobicContact CE1-CG2 4.36Å; Y148-V414 HydrophobicContact CE2-CG2 3.87Å; Y148-V414 WeakPolarHBondContact OH-CG2 3.34Å; V414-E416 PolarHBondContact O-N 3.24Å
415G94.6Very high96.8Very high69 Ų6945.3 Ų45.371%0.71124%0.235SC*.THydrogen-bonded Turntrans72.5-8.617700000115.8E147 M413E147-G415 PolarHBondContact OE2-N 2.93Å; M413-G415 PolarHBondContact O-N 3.5Å
416E93Very high97Very high88 Ų8845.2 Ų45.241%0.41123%0.234SC..SBendtrans-125.7143.5-175-61.6-171.3-120.500112.5K412 M413 V414 R418K412-E416 VanDerWaalsContact CE-O 3.25Å; K412-E416 WeakPolarHBondContact CE-O 3.37Å; K412-E416 WeakPolarHBondContact CG-O 3.31Å; K412-E416 PolarHBondContact NZ-O 3.33Å; M413-E416 HydrophobicContact CB-CB 4.27Å; M413-E416 HydrophobicContact CG-CB 4.41Å; M413-E416 PolarHBondContact O-N 3.03Å; V414-E416 PolarHBondContact O-N 3.24Å; E416-R418 HydrophobicContact CB-CG 3.96Å; E416-R418 VanDerWaalsContact CD-NE 3.29Å; E416-R418 PolarHBondContact O-N 2.98Å; E416-R418 IonicContact OE1-CZ 2.75Å; E416-R418 IonicContact OE1-NE 2.85Å; E416-R418 PolarHBondContact OE1-NE 3.49Å; E416-R418 IonicContact OE1-NH2 3.22Å; E416-R418 PolarHBondContact OE1-NH2 2.97Å; E416-R418 WeakPolarHBondContact OE2-CD 3.26Å; E416-R418 IonicContact OE2-CZ 2.88Å; E416-R418 IonicContact OE2-NE 3.39Å; E416-R418 PolarHBondContact OE2-NE 3.4Å; E416-R418 IonicContact OE2-NH2 3.89Å; E416-R418 PolarHBondContact OE2-NH2 3.44Å
417N90Very high97.1Very high85 Ų8545.4 Ų45.446%0.45524%0.235SC..SBendtrans-85.651.7176.7-71-15.6000111.1Y155 K412Y155-N417 HydrophobicContact CD2-CB 4.26Å; Y155-N417 HydrophobicContact CE2-CB 3.45Å; Y155-N417 VanDerWaalsContact CE2-CB 3.45Å; Y155-N417 WeakPolarHBondContact CE2-OD1 3.33Å; K412-N417 WeakPolarHBondContact CE-OD1 3.27Å
418R94.2Very high97.2Very high116 Ų11644.2 Ų44.244%0.43823%0.23SC..SBendtrans-138.6159.4177.968.4174.9168.6119.2-5.4111.7Y157 M413 E416Y157-R418 PolarHBondContact OH-O 3.24Å; M413-R418 HydrophobicContact CB-CG 4.09Å; M413-R418 WeakPolarHBondContact CB-O 3.42Å; M413-R418 PolarHBondContact N-O 3.33Å; M413-R418 HydrophobicContact SD-CG 4.31Å; M413-R418 PolarHBondContact SD-NE 2.91Å; M413-R418 VanDerWaalsContact SD-NE 3.44Å; M413-R418 PolarHBondContact SD-NH2 3.18Å; E416-R418 HydrophobicContact CB-CG 3.96Å; E416-R418 VanDerWaalsContact CD-NE 3.29Å; E416-R418 PolarHBondContact O-N 2.98Å; E416-R418 IonicContact OE1-CZ 2.75Å; E416-R418 IonicContact OE1-NE 2.85Å; E416-R418 PolarHBondContact OE1-NE 3.49Å; E416-R418 IonicContact OE1-NH2 3.22Å; E416-R418 PolarHBondContact OE1-NH2 2.97Å; E416-R418 WeakPolarHBondContact OE2-CD 3.26Å; E416-R418 IonicContact OE2-CZ 2.88Å; E416-R418 IonicContact OE2-NE 3.39Å; E416-R418 PolarHBondContact OE2-NE 3.4Å; E416-R418 IonicContact OE2-NH2 3.89Å; E416-R418 PolarHBondContact OE2-NH2 3.44Å
419R96.7Very high97.2Very high68 Ų6845 Ų4526%0.25724%0.238SC..EExtended strand (participates in β ladder)trans-63.3133.1176.2-173.1-172.4166.7-98.1-9.3112.3Y157 I164 N408 S410 D421Y157-R419 HydrophobicContact CD1-CB 4.1Å; Y157-R419 HydrophobicContact CD1-CG 4.09Å; Y157-R419 HydrophobicContact CE1-CB 3.49Å; Y157-R419 VanDerWaalsContact CE1-CB 3.49Å; Y157-R419 HydrophobicContact CE1-CG 3.93Å; Y157-R419 HydrophobicContact CE2-CB 4.47Å; Y157-R419 HydrophobicContact CE2-CG 4.38Å; Y157-R419 HydrophobicContact CG-CG 4.4Å; Y157-R419 VanDerWaalsContact CZ-CA 3.43Å; Y157-R419 WeakPolarHBondContact OH-CA 3.17Å; Y157-R419 PolarHBondContact OH-N 3.12Å; Y157-R419 VanDerWaalsContact OH-N 3.12Å; I164-R419 VanDerWaalsContact CD1-NE 3.29Å; N408-R419 VanDerWaalsContact CB-NH2 3.33Å; N408-R419 PolarHBondContact O-NH2 3.49Å; S410-R419 PolarHBondContact OG-NE 3.35Å; S410-R419 PolarHBondContact OG-NH2 3.21Å; S410-R419 VanDerWaalsContact OG-NH2 3.14Å; R419-D421 IonicContact CZ-OD2 3.21Å; R419-D421 IonicContact NH1-OD2 3.02Å; R419-D421 VanDerWaalsContact NH2-CG 3.25Å; R419-D421 IonicContact NH2-OD2 2.6Å; R419-D421 PolarHBondContact NH2-OD2 3.24Å
420Q98.2Very high97Very high54 Ų5448.5 Ų48.525%0.25225%0.254SS..EExtended strand (participates in β ladder)trans-109.6127.6161-175178.219.100109.5S410 T411 M413 I422S410-Q420 WeakPolarHBondContact CA-O 3.24Å; T411-Q420 HydrophobicContact CG2-CB 4.32Å; T411-Q420 PolarHBondContact N-O 2.71Å; T411-Q420 PolarHBondContact O-N 2.84Å; M413-Q420 HydrophobicContact CB-CB 4.07Å; M413-Q420 HydrophobicContact CE-CB 3.88Å; M413-Q420 HydrophobicContact CE-CG 3.96Å; Q420-I422 HydrophobicContact CG-CG2 4Å
421D98.4Very high96.6Very high71 Ų7151.9 Ų51.938%0.3829%0.289SS..EExtended strand (participates in β ladder)trans-82.7122.9170.1-162.6-44.8000109.9R419 T423R419-D421 IonicContact CZ-OD2 3.21Å; R419-D421 IonicContact NH1-OD2 3.02Å; R419-D421 VanDerWaalsContact NH2-CG 3.25Å; R419-D421 IonicContact NH2-OD2 2.6Å; R419-D421 PolarHBondContact NH2-OD2 3.24Å; D421-T423 VanDerWaalsContact OD1-CB 3.22Å; D421-T423 WeakPolarHBondContact OD1-CB 3.46Å; D421-T423 PolarHBondContact OD1-N 2.9Å; D421-T423 PolarHBondContact OD1-OG1 2.79Å
422I98.7Very high96.4Very high1 Ų152.7 Ų52.71%0.00530%0.295CS..  trans-121.220.3178.960.8169.8000111.8V277 I409 T411 Q420 L424 H425 Y426V277-I422 HydrophobicContact CG1-CD1 4.05Å; V277-I422 HydrophobicContact CG2-CD1 3.96Å; I409-I422 HydrophobicContact CB-CG1 4.45Å; I409-I422 HydrophobicContact CG2-CD1 4.39Å; I409-I422 HydrophobicContact CG2-CG1 3.99Å; I409-I422 VanDerWaalsContact O-CG1 3.31Å; I409-I422 WeakPolarHBondContact O-CG1 3.22Å; I409-I422 PolarHBondContact O-N 3.19Å; T411-I422 HydrophobicContact CG2-CD1 3.91Å; T411-I422 HydrophobicContact CG2-CG1 4.43Å; T411-I422 HydrophobicContact CG2-CG2 3.96Å; Q420-I422 HydrophobicContact CG-CG2 4Å; I422-L424 PolarHBondContact O-N 3Å; I422-H425 HydrophobicContact CB-CB 4.46Å; I422-H425 VanDerWaalsContact O-CB 3.25Å; I422-H425 WeakPolarHBondContact O-CB 3.44Å; I422-H425 PolarHBondContact O-N 2.78Å; I422-Y426 HydrophobicContact CD1-CE2 3.86Å; I422-Y426 HydrophobicContact CG1-CE2 4.29Å
423T98.7Very high96.3Very high22 Ų2256.2 Ų56.214%0.13532%0.319CS..Hα-helixtrans-52.4-42.3-179.9-52.60000111.9N408 I409 D421 H425 Y426 K427N408-T423 WeakPolarHBondContact CA-OG1 3.34Å; N408-T423 PolarHBondContact N-OG1 3.01Å; I409-T423 HydrophobicContact CD1-CG2 4.44Å; I409-T423 HydrophobicContact CG1-CG2 4.48Å; I409-T423 PolarHBondContact N-OG1 3.41Å; I409-T423 PolarHBondContact O-N 2.85Å; D421-T423 VanDerWaalsContact OD1-CB 3.22Å; D421-T423 WeakPolarHBondContact OD1-CB 3.46Å; D421-T423 PolarHBondContact OD1-N 2.9Å; D421-T423 PolarHBondContact OD1-OG1 2.79Å; T423-H425 PolarHBondContact O-N 2.98Å; T423-H425 VanDerWaalsContact O-N 3.12Å; T423-Y426 PolarHBondContact O-N 2.88Å; T423-K427 HydrophobicContact CG2-CD 4.16Å; T423-K427 HydrophobicContact CG2-CG 3.97Å; T423-K427 PolarHBondContact O-N 3.45Å
424L98.6Very high96.2Very high93 Ų9358.7 Ų58.749%0.48733%0.33SS..Hα-helixtrans-69-9.6-180-60.9-177.3000114.3R360 I422 K427 P429R360-L424 PolarHBondContact NE-O 3.38Å; R360-L424 PolarHBondContact NH1-O 3.3Å; I422-L424 PolarHBondContact O-N 3Å; L424-K427 WeakPolarHBondContact CA-O 3.13Å; L424-P429 HydrophobicContact CD2-CG 3.86Å
425H98.5Very high96.1Very high80 Ų8057.2 Ų57.237%0.3732%0.321SS..Hα-helixtrans-77.7-31.2170.2-61.6176.4000111.5V356 R360 I422 T423V356-H425 HydrophobicContact CG1-CB 4.12Å; V356-H425 WeakPolarHBondContact CG1-O 3.38Å; R360-H425 WeakPolarHBondContact CB-O 3.29Å; R360-H425 WeakPolarHBondContact CD-O 3.29Å; I422-H425 HydrophobicContact CB-CB 4.46Å; I422-H425 VanDerWaalsContact O-CB 3.25Å; I422-H425 WeakPolarHBondContact O-CB 3.44Å; I422-H425 PolarHBondContact O-N 2.78Å; T423-H425 PolarHBondContact O-N 2.98Å; T423-H425 VanDerWaalsContact O-N 3.12Å
426Y98.7Very high96Very high0 Ų056 Ų560%030%0.295CS..Hα-helixtrans-98.9-25.3-175.1-75.2-95.5000114.1V277 W317 D319 V336 V356 I359 R360 I409 I422 T423V277-Y426 HydrophobicContact CG1-CE2 4.25Å; W317-Y426 HydrophobicContact CZ2-CD1 4.32Å; W317-Y426 AromaticContact CZ2-CE1 3.63Å; W317-Y426 HydrophobicContact CZ2-CE1 3.63Å; W317-Y426 AromaticContact CZ2-CZ 3.78Å; W317-Y426 AromaticContact NE1-CZ 3.91Å; W317-Y426 PolarHBondContact NE1-OH 3.32Å; D319-Y426 PolarHBondContact OD1-OH 3.02Å; D319-Y426 PolarHBondContact OD2-OH 3.26Å; D319-Y426 VanDerWaalsContact OD2-OH 3.06Å; V336-Y426 HydrophobicContact CG2-CE1 3.58Å; V356-Y426 HydrophobicContact CG1-CD1 4.21Å; V356-Y426 HydrophobicContact CG1-CD2 4.28Å; V356-Y426 HydrophobicContact CG1-CE1 4.26Å; V356-Y426 HydrophobicContact CG1-CE2 4.34Å; V356-Y426 HydrophobicContact CG1-CG 4.22Å; V356-Y426 HydrophobicContact CG2-CD1 4.48Å; V356-Y426 HydrophobicContact CG2-CE1 3.81Å; I359-Y426 HydrophobicContact CD1-CD1 4.48Å; I359-Y426 HydrophobicContact CG2-CD1 4.28Å; R360-Y426 WeakPolarHBondContact CA-O 3.5Å; R360-Y426 PolarHBondContact N-O 2.87Å; I409-Y426 HydrophobicContact CB-CD2 4.42Å; I409-Y426 HydrophobicContact CD1-CD2 3.98Å; I409-Y426 HydrophobicContact CD1-CG 3.82Å; I409-Y426 HydrophobicContact CG2-CD2 3.77Å; I409-Y426 HydrophobicContact CG2-CE2 3.7Å; I422-Y426 HydrophobicContact CD1-CE2 3.86Å; I422-Y426 HydrophobicContact CG1-CE2 4.29Å; T423-Y426 PolarHBondContact O-N 2.88Å
427K98.3Very high96.1Very high5 Ų557.8 Ų57.82%0.02230%0.301CS..SBendtrans-151.3159.7-179.461.7-173.1-59.8176.50111.7V377 N378 I405 T423 L424 E430V377-K427 WeakPolarHBondContact O-CD 3.49Å; V377-K427 WeakPolarHBondContact O-CE 3.23Å; V377-K427 PolarHBondContact O-NZ 3.22Å; N378-K427 VanDerWaalsContact OD1-CB 3.29Å; N378-K427 WeakPolarHBondContact OD1-CB 3.47Å; N378-K427 WeakPolarHBondContact OD1-CE 3.38Å; I405-K427 PolarHBondContact O-NZ 3.18Å; T423-K427 HydrophobicContact CG2-CD 4.16Å; T423-K427 HydrophobicContact CG2-CG 3.97Å; T423-K427 PolarHBondContact O-N 3.45Å; L424-K427 WeakPolarHBondContact CA-O 3.13Å; K427-E430 WeakPolarHBondContact CE-OE1 3.43Å; K427-E430 IonicContact NZ-OE1 3.16Å; K427-E430 PolarHBondContact NZ-OE1 3.21Å; K427-E430 IonicContact NZ-OE2 3.64Å
428F98.3Very high96.4Very high44 Ų4454.1 Ų54.119%0.19328%0.282CS..PPolyproline II helixtrans-76.4162.1173-65.9-76.4000110.6R360 E430 E434 E435 A438R360-F428 HydrophobicContact CG-CD2 4.43Å; R360-F428 HydrophobicContact CG-CE2 4.16Å; R360-F428 HydrophobicContact CG-CZ 4.2Å; R360-F428 WeakPolarHBondContact O-CD2 3.18Å; R360-F428 WeakPolarHBondContact O-CE2 3.17Å; F428-E430 PolarHBondContact O-N 3.41Å; F428-E434 HydrophobicContact CB-CB 4.05Å; F428-E434 HydrophobicContact CD1-CB 3.71Å; F428-E434 HydrophobicContact CD1-CG 4.4Å; F428-E434 HydrophobicContact CD2-CB 3.91Å; F428-E434 HydrophobicContact CE1-CB 4.09Å; F428-E434 HydrophobicContact CE1-CG 4.5Å; F428-E434 HydrophobicContact CE2-CB 4.25Å; F428-E434 HydrophobicContact CG-CB 3.62Å; F428-E434 HydrophobicContact CZ-CB 4.35Å; F428-E435 HydrophobicContact CB-CB 3.73Å; F428-A438 HydrophobicContact CD2-CB 4.18Å; F428-A438 HydrophobicContact CE2-CB 4.29Å
429P97.6Very high96.4Very high69 Ų6949 Ų4945%0.44826%0.263SS..PPolyproline II helixtrans-56.1134.9177.7-2433.6000112L424 G431 S432 E435L424-P429 HydrophobicContact CD2-CG 3.86Å; P429-G431 PolarHBondContact O-N 2.98Å; P429-S432 VanDerWaalsContact O-CB 3.23Å; P429-S432 WeakPolarHBondContact O-CB 3.26Å; P429-S432 PolarHBondContact O-N 3.02Å; P429-S432 PolarHBondContact O-OG 3.04Å; P429-E435 WeakPolarHBondContact O-CB 3.35Å
430E94.2Very high96.2Very high74 Ų7448.8 Ų48.835%0.34627%0.266SS..THydrogen-bonded Turntrans-55132.1179.3-59.5-67.1-175.700111.6A403 K427 F428 S432A403-E430 HydrophobicContact CB-CB 4Å; A403-E430 HydrophobicContact CB-CG 3.91Å; K427-E430 WeakPolarHBondContact CE-OE1 3.43Å; K427-E430 IonicContact NZ-OE1 3.16Å; K427-E430 PolarHBondContact NZ-OE1 3.21Å; K427-E430 IonicContact NZ-OE2 3.64Å; F428-E430 PolarHBondContact O-N 3.41Å; E430-S432 VanDerWaalsContact C-N 3.27Å; E430-S432 PolarHBondContact O-N 2.98Å
431G90.3Very high96Very high72 Ų7251.6 Ų51.674%0.74228%0.277SS*.THydrogen-bonded Turntrans80.5-0.4-178.500000114.9P429 E435P429-G431 PolarHBondContact O-N 2.98Å; G431-E435 PolarHBondContact N-OE2 3.04Å
432S94.9Very high95.8Very high20 Ų2048.9 Ų48.914%0.1426%0.264CS..  trans-74.5151.6171.166.70000112P429 E430 E434 E435 R436P429-S432 VanDerWaalsContact O-CB 3.23Å; P429-S432 WeakPolarHBondContact O-CB 3.26Å; P429-S432 PolarHBondContact O-N 3.02Å; P429-S432 PolarHBondContact O-OG 3.04Å; E430-S432 VanDerWaalsContact C-N 3.27Å; E430-S432 PolarHBondContact O-N 2.98Å; S432-E434 PolarHBondContact O-N 2.88Å; S432-E435 WeakPolarHBondContact O-CB 3.46Å; S432-E435 PolarHBondContact O-N 3.36Å; S432-E435 VanDerWaalsContact OG-CB 3.23Å; S432-E435 WeakPolarHBondContact OG-CB 3.44Å; S432-E435 PolarHBondContact OG-N 3.49Å; S432-R436 PolarHBondContact O-N 2.87Å
433P94.3Very high95.4Very high82 Ų8250.4 Ų50.453%0.53228%0.275SS..Hα-helixtrans-58.6-33.4173.3-25.135000113.4K437P433-K437 WeakPolarHBondContact O-CB 3.26Å; P433-K437 WeakPolarHBondContact O-CG 3.47Å; P433-K437 PolarHBondContact O-N 3.04Å
434E96.8Very high94.7Very high85 Ų8552.7 Ų52.740%0.39730%0.303SS..Hα-helixtrans-67-39.2179.6-66.165.7-141.400111.8F428 S432 K437 A438F428-E434 HydrophobicContact CB-CB 4.05Å; F428-E434 HydrophobicContact CD1-CB 3.71Å; F428-E434 HydrophobicContact CD1-CG 4.4Å; F428-E434 HydrophobicContact CD2-CB 3.91Å; F428-E434 HydrophobicContact CE1-CB 4.09Å; F428-E434 HydrophobicContact CE1-CG 4.5Å; F428-E434 HydrophobicContact CE2-CB 4.25Å; F428-E434 HydrophobicContact CG-CB 3.62Å; F428-E434 HydrophobicContact CZ-CB 4.35Å; S432-E434 PolarHBondContact O-N 2.88Å; E434-K437 PolarHBondContact O-N 2.94Å; E434-A438 PolarHBondContact O-N 2.77Å
435E95.6Very high93.6Very high4 Ų454.8 Ų54.82%0.01931%0.308CS..Hα-helixtrans-61-53.1176.9-177.9-77.911500110.5F428 P429 G431 S432 K437 A438 M439F428-E435 HydrophobicContact CB-CB 3.73Å; P429-E435 WeakPolarHBondContact O-CB 3.35Å; G431-E435 PolarHBondContact N-OE2 3.04Å; S432-E435 WeakPolarHBondContact O-CB 3.46Å; S432-E435 PolarHBondContact O-N 3.36Å; S432-E435 VanDerWaalsContact OG-CB 3.23Å; S432-E435 WeakPolarHBondContact OG-CB 3.44Å; S432-E435 PolarHBondContact OG-N 3.49Å; E435-K437 PolarHBondContact O-N 2.91Å; E435-A438 WeakPolarHBondContact O-CB 3.38Å; E435-A438 PolarHBondContact O-N 3.04Å; E435-A438 VanDerWaalsContact O-N 3.12Å; E435-M439 PolarHBondContact O-N 3.02Å; E435-M439 VanDerWaalsContact O-N 3.13Å
436R92.5Very high92.1Very high43 Ų4360.8 Ų60.816%0.16233%0.328CS..Hα-helixtrans-63.5-38.2176-70.4-62.6104.8179.36.1113D380 T402 S432 A438 M439 E440D380-R436 IonicContact OD1-CZ 3.57Å; D380-R436 IonicContact OD1-NH1 3.49Å; D380-R436 PolarHBondContact OD1-NH1 2.85Å; D380-R436 IonicContact OD1-NH2 3.43Å; D380-R436 PolarHBondContact OD1-NH2 2.9Å; D380-R436 IonicContact OD2-NH1 2.82Å; D380-R436 PolarHBondContact OD2-NH1 2.91Å; T402-R436 PolarHBondContact O-NH2 3.35Å; T402-R436 VanDerWaalsContact O-NH2 3.11Å; S432-R436 PolarHBondContact O-N 2.87Å; R436-A438 VanDerWaalsContact C-N 3.3Å; R436-A438 PolarHBondContact O-N 2.99Å; R436-M439 PolarHBondContact O-N 3.05Å; R436-E440 WeakPolarHBondContact O-CG 3.35Å; R436-E440 PolarHBondContact O-N 3.25Å
437K94.9Very high90.3Very high126 Ų12663 Ų6355%0.54834%0.342SS..Hα-helixtrans-60.7-38173.8-78.2170.8-174.7171.70112.3P433 E434 E435 K441P433-K437 WeakPolarHBondContact O-CB 3.26Å; P433-K437 WeakPolarHBondContact O-CG 3.47Å; P433-K437 PolarHBondContact O-N 3.04Å; E434-K437 PolarHBondContact O-N 2.94Å; E435-K437 PolarHBondContact O-N 2.91Å; K437-K441 VanDerWaalsContact O-CB 3.26Å; K437-K441 WeakPolarHBondContact O-CB 3.49Å; K437-K441 PolarHBondContact O-N 3.03Å
438A96Very high88.4Confident7 Ų767.4 Ų67.46%0.05837%0.366CS..Hα-helixtrans-65.2-43.3176.100000111.1F428 E434 E435 R436 K441 A442F428-A438 HydrophobicContact CD2-CB 4.18Å; F428-A438 HydrophobicContact CE2-CB 4.29Å; E434-A438 PolarHBondContact O-N 2.77Å; E435-A438 WeakPolarHBondContact O-CB 3.38Å; E435-A438 PolarHBondContact O-N 3.04Å; E435-A438 VanDerWaalsContact O-N 3.12Å; R436-A438 VanDerWaalsContact C-N 3.3Å; R436-A438 PolarHBondContact O-N 2.99Å; A438-K441 PolarHBondContact O-N 2.74Å; A438-A442 WeakPolarHBondContact O-CB 3.3Å; A438-A442 PolarHBondContact O-N 3.44Å
439M93.8Very high86.4Confident8 Ų871.2 Ų71.24%0.03939%0.388CS..Hα-helixtrans-65.1-41.7175.6-175.456.6-171.800112.7L290 F374 E435 R436 K441 A442 S443L290-M439 HydrophobicContact CB-CE 3.87Å; L290-M439 WeakPolarHBondContact O-CE 3.11Å; F374-M439 HydrophobicContact CE1-SD 3.79Å; F374-M439 HydrophobicContact CZ-SD 4.38Å; E435-M439 PolarHBondContact O-N 3.02Å; E435-M439 VanDerWaalsContact O-N 3.13Å; R436-M439 PolarHBondContact O-N 3.05Å; M439-K441 VanDerWaalsContact C-N 3.33Å; M439-K441 PolarHBondContact O-N 3.39Å; M439-A442 PolarHBondContact O-N 3.11Å; M439-S443 WeakPolarHBondContact O-CB 3.45Å; M439-S443 PolarHBondContact O-N 3.31Å; M439-S443 PolarHBondContact O-OG 2.81Å
440E92.7Very high84.3Confident65 Ų6575.8 Ų75.830%0.30440%0.401SS..Hα-helixtrans-61.3-42.4174.2-74.9-179.117800111.6R436 G444R436-E440 WeakPolarHBondContact O-CG 3.35Å; R436-E440 PolarHBondContact O-N 3.25Å; E440-G444 VanDerWaalsContact O-CA 3.32Å; E440-G444 WeakPolarHBondContact O-CA 3.13Å; E440-G444 PolarHBondContact O-N 2.83Å
441K94.8Very high82.6Confident112 Ų11274 Ų7449%0.48739%0.394SS..Hα-helixtrans-64.4-40.8177.7-167.5-173-166.4179.30112Q361 L363 K437 A438 M439Q361-K441 VanDerWaalsContact O-CD 3.3Å; Q361-K441 WeakPolarHBondContact O-CD 3.46Å; L363-K441 HydrophobicContact CD2-CD 4.3Å; K437-K441 VanDerWaalsContact O-CB 3.26Å; K437-K441 WeakPolarHBondContact O-CB 3.49Å; K437-K441 PolarHBondContact O-N 3.03Å; A438-K441 PolarHBondContact O-N 2.74Å; M439-K441 VanDerWaalsContact C-N 3.33Å; M439-K441 PolarHBondContact O-N 3.39Å
442A93.8Very high80.8Confident14 Ų1477 Ų7712%0.11639%0.393CS..Hα-helixtrans-70.9-45.317900000112.3L290 V364 F374 A438 M439L290-A442 VanDerWaalsContact CD1-C 3.49Å; L290-A442 HydrophobicContact CD1-CB 3.78Å; V364-A442 HydrophobicContact CG1-CB 3.62Å; V364-A442 HydrophobicContact CG2-CB 4.3Å; F374-A442 HydrophobicContact CD1-CB 3.89Å; F374-A442 HydrophobicContact CE1-CB 3.45Å; F374-A442 VanDerWaalsContact CE1-CB 3.45Å; F374-A442 HydrophobicContact CE2-CB 4.33Å; F374-A442 HydrophobicContact CG-CB 4.49Å; F374-A442 HydrophobicContact CZ-CB 3.71Å; A438-A442 WeakPolarHBondContact O-CB 3.3Å; A438-A442 PolarHBondContact O-N 3.44Å; M439-A442 PolarHBondContact O-N 3.11Å
443S89.6Confident79.1Confident33 Ų3380.1 Ų80.123%0.23142%0.415CS..Hα-helixtrans-86.1-18.5-174.665.90000114.5M439 K445M439-S443 WeakPolarHBondContact O-CB 3.45Å; M439-S443 PolarHBondContact O-N 3.31Å; M439-S443 PolarHBondContact O-OG 2.81Å; S443-K445 PolarHBondContact O-N 2.74Å; S443-K445 PolarHBondContact OG-N 2.75Å; S443-K445 PolarHBondContact OG-O 3.45Å
444G84.5Confident78Confident70 Ų7078.5 Ų78.572%0.72240%0.398SS*.SBendtrans65.29.3-171.200000113.9E440E440-G444 VanDerWaalsContact O-CA 3.32Å; E440-G444 WeakPolarHBondContact O-CA 3.13Å; E440-G444 PolarHBondContact O-N 2.83Å
445K75.8Confident77.1Confident138 Ų13876.8 Ų76.860%0.639%0.394SS*.SBendtrans-126.9146-175.9-67.1178.8-176.3173.30110.2S443S443-K445 PolarHBondContact O-N 2.74Å; S443-K445 PolarHBondContact OG-N 2.75Å; S443-K445 PolarHBondContact OG-O 3.45Å
446R66.1Low76.5Confident205 Ų20576.7 Ų76.777%0.77439%0.393SS*.  trans-78.8149.5167-72.5-172.9178.6173.41.8110.5
447P62.3Low76.3Confident48 Ų4880.1 Ų80.131%0.31241%0.411SS..  trans-56.5148.7173.7-21.933.5000111.5D449P447-D449 PolarHBondContact O-N 2.86Å; P447-D449 VanDerWaalsContact O-N 3.15Å
448D58.8Low76.2Confident96 Ų9675.3 Ų75.351%0.51339%0.391SS..  trans-77100.8175.7-158.8-8.9000109.3K450D448-K450 PolarHBondContact O-N 3.39Å
449D55.5Low76Confident125 Ų12577.2 Ų77.267%0.66840%0.404SS*.G310 helixtrans-60.6-12.5-175.9-77.9-34.1000114.1P447 L451 N452P447-D449 PolarHBondContact O-N 2.86Å; P447-D449 VanDerWaalsContact O-N 3.15Å; D449-L451 PolarHBondContact O-N 3.28Å; D449-N452 PolarHBondContact O-N 3.41Å
450K54.3Low76Confident164 Ų16477.6 Ų77.671%0.71341%0.407SS*.G310 helixtrans-62.4-25.4-173.6-71.6179.3-179.3173.50113.9D448 S453D448-K450 PolarHBondContact O-N 3.39Å; K450-S453 PolarHBondContact O-OG 3.1Å
451L56.8Low76Confident36 Ų3678.7 Ų78.719%0.18841%0.414CS..G310 helixtrans-81.5-20.7-177-126.389.5000114.9L397 V400 D449 S453 R454L397-L451 HydrophobicContact CD2-CD1 3.74Å; L397-L451 HydrophobicContact CG-CD1 3.88Å; V400-L451 HydrophobicContact CB-CD2 3.76Å; V400-L451 HydrophobicContact CG2-CD1 4.33Å; V400-L451 HydrophobicContact CG2-CD2 3.72Å; V400-L451 HydrophobicContact CG2-CG 4.5Å; D449-L451 PolarHBondContact O-N 3.28Å; L451-S453 PolarHBondContact O-N 3.17Å; L451-S453 VanDerWaalsContact O-N 3.09Å; L451-R454 PolarHBondContact O-N 3.35Å
452N53.3Low75.7Confident136 Ų13675.8 Ų75.873%0.72740%0.402SS*.G310 helixtrans-68.7-5.2178-76.4-24.4000113.5D449D449-N452 PolarHBondContact O-N 3.41Å
453S59.9Low75.3Confident86 Ų8677.1 Ų77.160%0.60141%0.407SS*.G310 helixtrans-83.5-12.4-179.5650000114.5K450 L451K450-S453 PolarHBondContact O-OG 3.1Å; L451-S453 PolarHBondContact O-N 3.17Å; L451-S453 VanDerWaalsContact O-N 3.09Å
454R70.8Confident75.4Confident47 Ų4777.8 Ų77.818%0.17741%0.412CS..  trans-64.1151-175.2-70.3-171.5-176157.9-2.6113.3L397 I398 L451 K480 E557L397-R454 PolarHBondContact O-NH2 2.99Å; I398-R454 VanDerWaalsContact CA-NH2 3.35Å; I398-R454 PolarHBondContact O-NH1 3.3Å; L451-R454 PolarHBondContact O-N 3.35Å; R454-K480 WeakPolarHBondContact O-CE 3.44Å; R454-K480 PolarHBondContact O-NZ 3.35Å; R454-E557 WeakPolarHBondContact CA-OE1 3.12Å; R454-E557 WeakPolarHBondContact CB-OE1 3.23Å
455T76.7Confident75.7Confident50 Ų5074.9 Ų74.931%0.30738%0.38SS..SBendtrans-103-20-176.274.20000112.6R479 K480 E557T455-R479 VanDerWaalsContact O-CA 3.27Å; T455-R479 WeakPolarHBondContact O-CA 3.34Å; T455-K480 PolarHBondContact O-N 3.14Å; T455-E557 PolarHBondContact N-OE1 2.88Å; T455-E557 PolarHBondContact OG1-OE2 2.77Å
456L84.1Confident76.5Confident2 Ų273.5 Ų73.51%0.0138%0.376CS..EExtended strand (participates in β ladder)trans-106.2138.9177.5-174.263.9000111.2L477 K478 R479 A550 I552 E557 V559L456-L477 HydrophobicContact CD1-CB 4.19Å; L456-L477 HydrophobicContact CD1-CD2 4.29Å; L456-K478 CarbonylContact C-O 3.58Å; L456-K478 WeakPolarHBondContact CA-O 3.33Å; L456-R479 HydrophobicContact CD1-CG 3.49Å; L456-R479 VanDerWaalsContact CD1-CG 3.49Å; L456-A550 HydrophobicContact CD2-CB 4.27Å; L456-I552 HydrophobicContact CB-CD1 4.17Å; L456-I552 HydrophobicContact CD2-CD1 4.17Å; L456-I552 HydrophobicContact CD2-CG1 3.9Å; L456-E557 PolarHBondContact N-OE1 2.84Å; L456-V559 HydrophobicContact CB-CG1 4.14Å; L456-V559 HydrophobicContact CB-CG2 4.5Å; L456-V559 HydrophobicContact CD2-CG2 3.63Å; L456-V559 HydrophobicContact CG-CG1 4.4Å; L456-V559 HydrophobicContact CG-CG2 3.86Å; L456-V559 WeakPolarHBondContact O-CG1 3.46Å
457H88.3Confident77.6Confident114 Ų11464.5 Ų64.553%0.52834%0.343SS..EExtended strand (participates in β ladder)trans-125.4144.2169.7-65-79.7000109.5L477 K478H457-L477 CarbonylContact O-C 3.54Å; H457-L477 WeakPolarHBondContact O-CA 3.35Å; H457-K478 HydrophobicContact CB-CB 4.3Å; H457-K478 PolarHBondContact N-O 2.97Å; H457-K478 PolarHBondContact O-N 3.45Å
458I92.3Very high79Confident25 Ų2563.1 Ų63.113%0.12834%0.337CS..EExtended strand (participates in β ladder)trans-126.3141-178.1-174.4169.7000109.9I475 V476 L477 I548 A550 V559 T561I458-I475 HydrophobicContact CD1-CG2 3.81Å; I458-I475 HydrophobicContact CG1-CG2 3.71Å; I458-V476 WeakPolarHBondContact CA-O 3.28Å; I458-L477 HydrophobicContact CB-CD2 4.09Å; I458-L477 HydrophobicContact CD1-CD2 4.12Å; I458-L477 HydrophobicContact CG1-CD2 3.93Å; I458-I548 HydrophobicContact CD1-CB 4.19Å; I458-I548 HydrophobicContact CD1-CG2 3.59Å; I458-A550 HydrophobicContact CD1-CB 3.97Å; I458-V559 HydrophobicContact CB-CG2 3.91Å; I458-V559 HydrophobicContact CG2-CB 4.08Å; I458-V559 HydrophobicContact CG2-CG2 3.69Å; I458-T561 HydrophobicContact CB-CG2 4.47Å; I458-T561 HydrophobicContact CD1-CG2 4.22Å; I458-T561 HydrophobicContact CG1-CG2 3.96Å; I458-T561 HydrophobicContact CG2-CG2 3.88Å
459S92.7Very high80.7Confident48 Ų4863.2 Ų63.234%0.33634%0.335SS..EExtended strand (participates in β ladder)trans-149.3161.4170.559.50000111.2I475 V476S459-I475 WeakPolarHBondContact O-CA 3.32Å; S459-V476 PolarHBondContact N-O 3.06Å; S459-V476 PolarHBondContact O-N 2.68Å
460V93.1Very high82.6Confident16 Ų1659.6 Ų59.610%0.09732%0.318CS..EExtended strand (participates in β ladder)trans-121.9133.1-180-175.60000109.6L473 I548 T561 T563V460-L473 HydrophobicContact CG1-CD2 3.96Å; V460-I548 HydrophobicContact CG2-CD1 3.85Å; V460-I548 HydrophobicContact CG2-CG1 4.44Å; V460-T561 HydrophobicContact CG2-CG2 4.08Å; V460-T563 HydrophobicContact CG1-CG2 4.25Å
461L91.8Very high84.6Confident87 Ų8751.9 Ų51.946%0.45528%0.284SS..  trans-82.1-42.5-175.9-61-174.6000113.5N463 T474 V476L461-N463 PolarHBondContact O-ND2 3.06Å; L461-T474 HydrophobicContact CD1-CG2 3.75Å; L461-T474 HydrophobicContact CG-CG2 4.35Å; L461-T474 PolarHBondContact N-O 3.08Å; L461-T474 VanDerWaalsContact N-O 3.13Å; L461-V476 HydrophobicContact CD1-CG2 4.06Å; L461-V476 HydrophobicContact CD2-CG2 3.8Å; L461-V476 HydrophobicContact CG-CG2 3.82Å
462Q89.6Confident86.4Confident52 Ų5254.4 Ų54.424%0.24330%0.298CS..  trans-79.7143.9-173.9-68.679.64.800112.5N472 L473 T474 T563 L565Q462-N472 WeakPolarHBondContact CG-O 3.47Å; Q462-L473 HydrophobicContact CB-CD2 4.23Å; Q462-T474 PolarHBondContact NE2-OG1 3.44Å; Q462-T563 PolarHBondContact O-OG1 2.83Å; Q462-L565 HydrophobicContact CB-CD2 4.19Å; Q462-L565 WeakPolarHBondContact O-CD2 3.48Å
463N85.4Confident88.4Confident42 Ų4248.1 Ų48.123%0.22526%0.264CS..  trans-134.1-1.5-175.8-46.5-62.4000112.7K162 L461 C566K162-N463 HydrophobicContact CB-CB 4.07Å; K162-N463 HydrophobicContact CD-CB 3.92Å; K162-N463 WeakPolarHBondContact CD-ND2 3.36Å; K162-N463 WeakPolarHBondContact CD-OD1 3.32Å; K162-N463 WeakPolarHBondContact CE-OD1 3.47Å; K162-N463 PolarHBondContact NZ-OD1 3.05Å; L461-N463 PolarHBondContact O-ND2 3.06Å; N463-C566 PolarHBondContact O-N 3.12Å; N463-C566 PolarHBondContact O-SG 2.92Å
464S90.6Very high90.2Very high46 Ų4645 Ų4532%0.32224%0.242SC..EExtended strand (participates in β ladder)trans-151.5158.9-176.162.50000110.2C566S464-C566 CarbonylContact C-O 3.48Å; S464-C566 VanDerWaalsContact CA-O 3.27Å; S464-C566 WeakPolarHBondContact CA-O 3.27Å; S464-C566 VanDerWaalsContact CB-SG 3.59Å
465V91.8Very high91.4Very high9 Ų942.7 Ų42.76%0.05523%0.233CC..EExtended strand (participates in β ladder)trans-137133.9171.457.30000108.6L467 I471 I544 L565 C566 F567 L568V465-L467 PolarHBondContact O-N 2.83Å; V465-I471 HydrophobicContact CG2-CG1 4.42Å; V465-I544 HydrophobicContact CG1-CD1 3.82Å; V465-L565 HydrophobicContact CG1-CB 4.39Å; V465-C566 PolarHBondContact N-O 2.99Å; V465-F567 HydrophobicContact CG1-CD1 3.54Å; V465-F567 HydrophobicContact CG1-CE1 3.61Å; V465-F567 HydrophobicContact CG1-CG 4.49Å; V465-F567 CarbonylContact O-C 3.53Å; V465-F567 WeakPolarHBondContact O-CA 3.24Å; V465-L568 PolarHBondContact O-N 3.31Å
466E91.4Very high92.2Very high109 Ų10940.6 Ų40.651%0.50922%0.22SC..EExtended strand (participates in β ladder)trans-66.2127.8170.4-70.5-175.4-170.800109.6G468 H469 Y531 L568E466-G468 PolarHBondContact O-N 3.5Å; E466-H469 HydrophobicContact CB-CB 4.16Å; E466-H469 WeakPolarHBondContact CB-ND1 3.28Å; E466-H469 WeakPolarHBondContact O-CB 3.45Å; E466-H469 PolarHBondContact O-N 2.97Å; E466-H469 IonicContact OE2-CE1 3.82Å; E466-H469 PolarHBondContact OE2-CE1 3.34Å; E466-H469 IonicContact OE2-ND1 2.7Å; E466-H469 IonicContact OE2-NE2 3.58Å; E466-Y531 PolarHBondContact O-OH 2.72Å; E466-L568 HydrophobicContact CG-CB 4.28Å; E466-L568 HydrophobicContact CG-CD1 4.01Å
467L90.6Very high92.7Very high16 Ų1640.5 Ų40.58%0.08422%0.22CC..THydrogen-bonded Turntrans-59.1124.3-177.4-168.370.7000110.6V465 Y531 I532 L535 F567 L568 Y569 L596 V654V465-L467 PolarHBondContact O-N 2.83Å; L467-Y531 HydrophobicContact CD1-CE2 4.2Å; L467-I532 HydrophobicContact CG-CD1 4.48Å; L467-L535 HydrophobicContact CD1-CD1 3.45Å; L467-L535 VanDerWaalsContact CD1-CD1 3.45Å; L467-L535 HydrophobicContact CD1-CD2 4.38Å; L467-L535 HydrophobicContact CG-CD1 4.24Å; L467-F567 HydrophobicContact CD1-CB 3.98Å; L467-F567 HydrophobicContact CD1-CD1 3.36Å; L467-F567 HydrophobicContact CD1-CD2 4.36Å; L467-F567 HydrophobicContact CD1-CE1 3.9Å; L467-F567 HydrophobicContact CD1-CG 3.64Å; L467-L568 WeakPolarHBondContact CB-O 3.32Å; L467-L568 PolarHBondContact N-O 3.07Å; L467-Y569 HydrophobicContact CB-CD1 4.46Å; L467-Y569 HydrophobicContact CD2-CD1 3.71Å; L467-Y569 HydrophobicContact CD2-CE1 3.76Å; L467-L596 HydrophobicContact CB-CD2 4.13Å; L467-L596 HydrophobicContact CD2-CD1 3.51Å; L467-L596 HydrophobicContact CD2-CD2 3.81Å; L467-L596 HydrophobicContact CD2-CG 4.26Å; L467-L596 HydrophobicContact CG-CD1 4.16Å; L467-L596 HydrophobicContact CG-CD2 3.73Å; L467-L596 WeakPolarHBondContact O-CD2 3.11Å; L467-V654 HydrophobicContact CD2-CG2 3.73Å
468G91.1Very high92.8Very high19 Ų1939.3 Ų39.320%0.19621%0.213CC..THydrogen-bonded Turntrans92.3-4-175.500000115E466 S528 Y531E466-G468 PolarHBondContact O-N 3.5Å; G468-S528 WeakPolarHBondContact O-CB 3.42Å; G468-S528 PolarHBondContact O-OG 2.88Å; G468-Y531 WeakPolarHBondContact CA-OH 3.18Å; G468-Y531 PolarHBondContact N-OH 2.98Å
469H93.8Very high92.5Very high99 Ų9938.9 Ų38.946%0.45821%0.21SC..SBendtrans-98.1158.1174.2-69.479.9000112.5E466 S528 Y531E466-H469 HydrophobicContact CB-CB 4.16Å; E466-H469 WeakPolarHBondContact CB-ND1 3.28Å; E466-H469 WeakPolarHBondContact O-CB 3.45Å; E466-H469 PolarHBondContact O-N 2.97Å; E466-H469 IonicContact OE2-CE1 3.82Å; E466-H469 PolarHBondContact OE2-CE1 3.34Å; E466-H469 IonicContact OE2-ND1 2.7Å; E466-H469 IonicContact OE2-NE2 3.58Å; H469-S528 WeakPolarHBondContact O-CB 3.4Å; H469-Y531 PolarHBondContact N-OH 2.86Å; H469-Y531 VanDerWaalsContact N-OH 3.12Å; H469-Y531 WeakPolarHBondContact O-CE1 3.25Å; H469-Y531 PolarHBondContact O-OH 2.81Å
470P95.7Very high91.8Very high49 Ų4942.2 Ų42.232%0.31822%0.218SC..  trans-58.5147.5173.5-23.834.6000112.7N472 M526P470-N472 PolarHBondContact O-N 3.42Å; P470-M526 CarbonylContact C-O 3.57Å; P470-M526 WeakPolarHBondContact CA-O 3.22Å
471I96.1Very high91Very high1 Ų144.8 Ų44.81%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-78114.2170.4-59.8163.3000107.7V465 L473 L493 L506 S525 M526 Y531 I544 L565V465-I471 HydrophobicContact CG2-CG1 4.42Å; I471-L473 HydrophobicContact CG2-CG 4.16Å; I471-L493 HydrophobicContact CD1-CD1 4.25Å; I471-L493 HydrophobicContact CG2-CD1 4.25Å; I471-L506 HydrophobicContact CD1-CD1 4.27Å; I471-S525 CarbonylContact O-C 3.56Å; I471-S525 VanDerWaalsContact O-CA 3.26Å; I471-S525 WeakPolarHBondContact O-CA 3.37Å; I471-M526 HydrophobicContact CB-CB 4.26Å; I471-M526 HydrophobicContact CD1-CB 4.46Å; I471-M526 HydrophobicContact CD1-CG 4.44Å; I471-M526 HydrophobicContact CD1-SD 4.14Å; I471-M526 PolarHBondContact N-O 3.48Å; I471-M526 PolarHBondContact O-N 2.76Å; I471-Y531 HydrophobicContact CD1-CD1 3.82Å; I471-Y531 HydrophobicContact CD1-CE1 4.28Å; I471-Y531 HydrophobicContact CG1-CD1 4.04Å; I471-Y531 HydrophobicContact CG1-CE1 3.96Å; I471-I544 HydrophobicContact CD1-CD1 3.58Å; I471-I544 HydrophobicContact CD1-CG1 4.47Å; I471-I544 HydrophobicContact CD1-CG2 4.41Å; I471-I544 HydrophobicContact CG1-CD1 3.86Å; I471-L565 HydrophobicContact CG2-CD1 3.5Å; I471-L565 VanDerWaalsContact CG2-CD1 3.5Å
472N95.6Very high90.3Very high90 Ų9043.5 Ų43.548%0.48124%0.236SC..EExtended strand (participates in β ladder)trans-113.7118.1175.6-67.8-41000109.6Q462 P470 S525Q462-N472 WeakPolarHBondContact CG-O 3.47Å; P470-N472 PolarHBondContact O-N 3.42Å; N472-S525 WeakPolarHBondContact OD1-CB 3.26Å; N472-S525 PolarHBondContact OD1-OG 2.9Å
473L95.9Very high89.9Confident3 Ų344.5 Ų44.52%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-113.8136.1177.6-64.6178000110.1V460 Q462 I471 L493 S523 L524 T563 L565V460-L473 HydrophobicContact CG1-CD2 3.96Å; Q462-L473 HydrophobicContact CB-CD2 4.23Å; I471-L473 HydrophobicContact CG2-CG 4.16Å; L473-L493 HydrophobicContact CD1-CD2 4.17Å; L473-S523 CarbonylContact O-C 3.52Å; L473-S523 VanDerWaalsContact O-CA 3.3Å; L473-S523 WeakPolarHBondContact O-CA 3.41Å; L473-L524 HydrophobicContact CB-CB 4.29Å; L473-L524 PolarHBondContact N-O 3.42Å; L473-L524 PolarHBondContact O-N 2.85Å; L473-T563 HydrophobicContact CD2-CG2 4.39Å; L473-L565 HydrophobicContact CD2-CD1 3.87Å; L473-L565 HydrophobicContact CD2-CD2 3.94Å; L473-L565 HydrophobicContact CD2-CG 4.36Å
474T96.1Very high89.9Confident20 Ų2046.1 Ų46.112%0.12326%0.259CS..EExtended strand (participates in β ladder)trans-115.7110.6172.4-54.40000107.4L461 Q462 E521L461-T474 HydrophobicContact CD1-CG2 3.75Å; L461-T474 HydrophobicContact CG-CG2 4.35Å; L461-T474 PolarHBondContact N-O 3.08Å; L461-T474 VanDerWaalsContact N-O 3.13Å; Q462-T474 PolarHBondContact NE2-OG1 3.44Å; T474-E521 HydrophobicContact CG2-CB 4.06Å; T474-E521 HydrophobicContact CG2-CG 4.33Å
475I95.9Very high89.8Confident0 Ų045.6 Ų45.60%025%0.251CS..EExtended strand (participates in β ladder)trans-93.2123.9178.3-59.6168.2000107.4I458 S459 L477 I489 E521 V522 L524 I548I458-I475 HydrophobicContact CD1-CG2 3.81Å; I458-I475 HydrophobicContact CG1-CG2 3.71Å; S459-I475 WeakPolarHBondContact O-CA 3.32Å; I475-L477 HydrophobicContact CG2-CD2 4.1Å; I475-L477 HydrophobicContact CG2-CG 4.24Å; I475-I489 HydrophobicContact CD1-CD1 4.48Å; I475-I489 HydrophobicContact CD1-CG2 3.59Å; I475-E521 CarbonylContact O-C 3.59Å; I475-E521 WeakPolarHBondContact O-CA 3.48Å; I475-V522 HydrophobicContact CB-CB 4.48Å; I475-V522 PolarHBondContact N-O 2.81Å; I475-V522 PolarHBondContact O-N 2.69Å; I475-L524 HydrophobicContact CD1-CD1 3.38Å; I475-L524 HydrophobicContact CD1-CG 3.8Å; I475-L524 HydrophobicContact CG1-CD1 4.46Å; I475-I548 HydrophobicContact CD1-CG2 3.7Å; I475-I548 HydrophobicContact CG1-CG2 4.48Å
476V95.1Very high89.9Confident5 Ų548.3 Ų48.33%0.0327%0.265CS..EExtended strand (participates in β ladder)trans-100.2118.5174.7-175.70000108.3I458 S459 L461 K478 E519 E521I458-V476 WeakPolarHBondContact CA-O 3.28Å; S459-V476 PolarHBondContact N-O 3.06Å; S459-V476 PolarHBondContact O-N 2.68Å; L461-V476 HydrophobicContact CD1-CG2 4.06Å; L461-V476 HydrophobicContact CD2-CG2 3.8Å; L461-V476 HydrophobicContact CG-CG2 3.82Å; V476-K478 HydrophobicContact CG1-CG 4.11Å; V476-E519 HydrophobicContact CG1-CG 3.81Å; V476-E519 WeakPolarHBondContact CG1-OE1 3.39Å; V476-E521 HydrophobicContact CG2-CG 4.37Å
477L93.4Very high90Very high1 Ų143.1 Ų43.11%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-103.7119.5174.5-63.8174.4000108.9L456 H457 I458 I475 V487 I489 I515 E519 S520 V522 A550L456-L477 HydrophobicContact CD1-CB 4.19Å; L456-L477 HydrophobicContact CD1-CD2 4.29Å; H457-L477 CarbonylContact O-C 3.54Å; H457-L477 WeakPolarHBondContact O-CA 3.35Å; I458-L477 HydrophobicContact CB-CD2 4.09Å; I458-L477 HydrophobicContact CD1-CD2 4.12Å; I458-L477 HydrophobicContact CG1-CD2 3.93Å; I475-L477 HydrophobicContact CG2-CD2 4.1Å; I475-L477 HydrophobicContact CG2-CG 4.24Å; L477-V487 HydrophobicContact CD1-CB 4.48Å; L477-V487 HydrophobicContact CD1-CG1 4Å; L477-I489 HydrophobicContact CD1-CD1 4.04Å; L477-I515 HydrophobicContact CD1-CD1 4.36Å; L477-I515 HydrophobicContact CD1-CG2 4.23Å; L477-E519 WeakPolarHBondContact O-CA 3.42Å; L477-S520 PolarHBondContact N-O 3.1Å; L477-S520 PolarHBondContact O-N 3.44Å; L477-V522 HydrophobicContact CD1-CG2 4.26Å; L477-A550 HydrophobicContact CD2-CB 3.94Å
478K90.3Very high90.3Very high89 Ų8945.2 Ų45.239%0.38725%0.252SS..EExtended strand (participates in β ladder)trans-112.2136.1176.1-59.1-171.9-169.7-123.30110.8L456 H457 V476 Q518 E519L456-K478 CarbonylContact C-O 3.58Å; L456-K478 WeakPolarHBondContact CA-O 3.33Å; H457-K478 HydrophobicContact CB-CB 4.3Å; H457-K478 PolarHBondContact N-O 2.97Å; H457-K478 PolarHBondContact O-N 3.45Å; V476-K478 HydrophobicContact CG1-CG 4.11Å; K478-Q518 CarbonylContact C-O 3.44Å; K478-Q518 VanDerWaalsContact CA-O 3.25Å; K478-Q518 WeakPolarHBondContact CA-O 3.29Å; K478-E519 VanDerWaalsContact CE-OE1 3.26Å; K478-E519 WeakPolarHBondContact CE-OE1 3.31Å; K478-E519 WeakPolarHBondContact CE-OE2 3.35Å; K478-E519 HydrophobicContact CG-CB 4.48Å; K478-E519 HydrophobicContact CG-CG 4.06Å; K478-E519 IonicContact NZ-OE1 2.72Å; K478-E519 PolarHBondContact NZ-OE1 3.36Å; K478-E519 IonicContact NZ-OE2 2.82Å; K478-E519 PolarHBondContact NZ-OE2 3.28Å
479R85.9Confident90.5Very high15 Ų1544.5 Ų44.56%0.05724%0.244CC..EExtended strand (participates in β ladder)trans-130.5154.9-177.9-67.6-174.7-62177.80112.4T455 L456 T481 T483 I515 G517 Q518T455-R479 VanDerWaalsContact O-CA 3.27Å; T455-R479 WeakPolarHBondContact O-CA 3.34Å; L456-R479 HydrophobicContact CD1-CG 3.49Å; L456-R479 VanDerWaalsContact CD1-CG 3.49Å; R479-T481 WeakPolarHBondContact CB-O 3.4Å; R479-T483 VanDerWaalsContact CZ-O 3.32Å; R479-T483 PolarHBondContact NH1-O 2.79Å; R479-T483 PolarHBondContact NH2-O 2.72Å; R479-I515 HydrophobicContact CG-CD1 4.4Å; R479-I515 VanDerWaalsContact NE-CD1 3.35Å; R479-I515 PolarHBondContact NH2-O 2.67Å; R479-G517 PolarHBondContact NH2-O 3.26Å; R479-Q518 PolarHBondContact N-O 2.82Å
480K79.4Confident90.7Very high119 Ų11940.2 Ų40.252%0.51723%0.225SC..SBendtrans-68.5-34.7171.7-67.7-179.9179.9164.40112.6R454 T455 Q518R454-K480 WeakPolarHBondContact O-CE 3.44Å; R454-K480 PolarHBondContact O-NZ 3.35Å; T455-K480 PolarHBondContact O-N 3.14Å; K480-Q518 PolarHBondContact O-NE2 2.96Å
481T75.1Confident90.7Very high69 Ų6937.9 Ų37.942%0.42321%0.21SC..  trans-115.1152.6-177.262.10000112R479 T483R479-T481 WeakPolarHBondContact CB-O 3.4Å; T481-T483 VanDerWaalsContact C-N 3.32Å; T481-T483 PolarHBondContact OG1-OG1 3.47Å
482A76.4Confident90.8Very high60 Ų6037.9 Ų37.950%0.49621%0.21SC..  trans-94.522.6175.400000112.7Q516 Q518A482-Q516 CarbonylContact C-O 3.45Å; A482-Q518 HydrophobicContact CB-CG 4.18Å
483T81.9Confident90.8Very high73 Ų7333.6 Ų33.645%0.44819%0.187SC..  trans-73.2127.5178.642.60000109.6R479 T481 Q485R479-T483 VanDerWaalsContact CZ-O 3.32Å; R479-T483 PolarHBondContact NH1-O 2.79Å; R479-T483 PolarHBondContact NH2-O 2.72Å; T481-T483 VanDerWaalsContact C-N 3.32Å; T481-T483 PolarHBondContact OG1-OG1 3.47Å; T483-Q485 PolarHBondContact O-N 3.28Å
484P85.5Confident90.8Very high77 Ų7733.6 Ų33.650%0.519%0.187SC..  trans-56.4125.3175.9-26.335.3000111.2I515P484-I515 VanDerWaalsContact CA-O 3.32Å; P484-I515 WeakPolarHBondContact CA-O 3.27Å
485Q88.9Confident90.7Very high34 Ų3432.6 Ų32.616%0.15918%0.181CC..EExtended strand (participates in β ladder)trans-138.2147.6176.5-65.6170.9-49.800109.8T483 I515 I552T483-Q485 PolarHBondContact O-N 3.28Å; Q485-I515 PolarHBondContact N-O 3.13Å; Q485-I515 VanDerWaalsContact N-O 3.13Å; Q485-I515 WeakPolarHBondContact O-CG1 3.11Å; Q485-I515 PolarHBondContact O-N 3.04Å; Q485-I552 HydrophobicContact CB-CG2 4.2Å; Q485-I552 HydrophobicContact CG-CG2 4.4Å
486N92.9Very high90.5Very high66 Ų6633.3 Ų33.335%0.35318%0.184SC..EExtended strand (participates in β ladder)trans-82.1131.9170.5-67-41.9000109.4V553N486-V553 HydrophobicContact CB-CB 4.14Å; N486-V553 HydrophobicContact CB-CG2 3.91Å; N486-V553 WeakPolarHBondContact O-CG2 3.49Å; N486-V553 PolarHBondContact O-N 3.25Å
487V94.1Very high90.3Very high0 Ų033.2 Ų33.20%018%0.184CC..EExtended strand (participates in β ladder)trans-123.2125.8177.3178.10000109.5L477 I489 T512 V513 I515 A550 E551 I552L477-V487 HydrophobicContact CD1-CB 4.48Å; L477-V487 HydrophobicContact CD1-CG1 4Å; V487-I489 HydrophobicContact CG1-CG1 4.02Å; V487-T512 WeakPolarHBondContact O-CA 3.27Å; V487-V513 PolarHBondContact N-O 3.42Å; V487-V513 PolarHBondContact O-N 2.91Å; V487-I515 HydrophobicContact CB-CD1 4.46Å; V487-I515 HydrophobicContact CG2-CD1 3.43Å; V487-I515 VanDerWaalsContact CG2-CD1 3.43Å; V487-I515 HydrophobicContact CG2-CG1 3.72Å; V487-A550 HydrophobicContact CG1-CB 3.98Å; V487-E551 CarbonylContact C-O 3.57Å; V487-E551 VanDerWaalsContact CA-O 3.27Å; V487-E551 WeakPolarHBondContact CA-O 3.47Å; V487-I552 HydrophobicContact CG2-CG1 4.18Å
488N96.1Very high90Very high60 Ų6033.2 Ų33.232%0.32118%0.184SC..EExtended strand (participates in β ladder)trans-89.2126.5169.4-70.5-20.5000108.7T512 A550 E551N488-T512 WeakPolarHBondContact OD1-CB 3.41Å; N488-T512 VanDerWaalsContact OD1-CG2 3.27Å; N488-T512 WeakPolarHBondContact OD1-CG2 3.38Å; N488-T512 PolarHBondContact OD1-OG1 3.22Å; N488-A550 CarbonylContact O-C 3.53Å; N488-A550 WeakPolarHBondContact O-CA 3.43Å; N488-E551 HydrophobicContact CB-CB 4.46Å; N488-E551 PolarHBondContact N-O 3.26Å; N488-E551 PolarHBondContact O-N 2.87Å
489I96.7Very high89.8Confident4 Ų429.1 Ų29.12%0.02117%0.166CC..EExtended strand (participates in β ladder)trans-115.1127.6177.1-57.1177.6000108.1I475 L477 V487 Q510 K511 V513 V522 L524 I548 I549 A550I475-I489 HydrophobicContact CD1-CD1 4.48Å; I475-I489 HydrophobicContact CD1-CG2 3.59Å; L477-I489 HydrophobicContact CD1-CD1 4.04Å; V487-I489 HydrophobicContact CG1-CG1 4.02Å; I489-Q510 CarbonylContact O-C 3.59Å; I489-Q510 VanDerWaalsContact O-CA 3.3Å; I489-Q510 WeakPolarHBondContact O-CA 3.33Å; I489-K511 PolarHBondContact N-O 2.83Å; I489-K511 PolarHBondContact O-N 3.41Å; I489-V513 HydrophobicContact CD1-CG2 4.18Å; I489-V522 HydrophobicContact CD1-CB 3.93Å; I489-V522 HydrophobicContact CD1-CG1 3.8Å; I489-V522 HydrophobicContact CD1-CG2 3.92Å; I489-L524 HydrophobicContact CG2-CD1 4.28Å; I489-I548 HydrophobicContact CG2-CG2 3.92Å; I489-I549 WeakPolarHBondContact CA-O 3.1Å; I489-A550 HydrophobicContact CG1-CB 4.48Å
490S97.1Very high89.9Confident10 Ų1029.4 Ų29.47%0.0717%0.174CC..EExtended strand (participates in β ladder)trans-120.3125.5170.1-164.70000109.3S299 V508 I548 I549S299-S490 PolarHBondContact O-OG 3.08Å; S490-V508 WeakPolarHBondContact OG-CG1 3.41Å; S490-I548 CarbonylContact O-C 3.55Å; S490-I548 WeakPolarHBondContact O-CA 3.46Å; S490-I549 PolarHBondContact N-O 3.13Å; S490-I549 PolarHBondContact O-N 2.83Å
491C96.9Very high90.3Very high0 Ų027.5 Ų27.50%017%0.169CC..EExtended strand (participates in β ladder)trans-124.4107.4179.8174.90000109.5V508 I509 L524 F547 I548C491-V508 CarbonylContact O-C 3.59Å; C491-V508 WeakPolarHBondContact O-CA 3.25Å; C491-I509 HydrophobicContact CB-CB 4.36Å; C491-I509 PolarHBondContact N-O 2.8Å; C491-I509 PolarHBondContact O-N 3.41Å; C491-L524 HydrophobicContact CB-CD1 3.47Å; C491-L524 VanDerWaalsContact CB-CD1 3.47Å; C491-F547 WeakPolarHBondContact CA-O 3.41Å; C491-I548 HydrophobicContact CB-CG1 4.11Å
492S97.1Very high91Very high1 Ų127.5 Ų27.51%0.00716%0.163CC..EExtended strand (participates in β ladder)trans-92.6126.4174.8-170.30000109.8G300 G546 F547G300-S492 WeakPolarHBondContact O-CB 3.26Å; S492-G546 VanDerWaalsContact O-CA 3.26Å; S492-G546 WeakPolarHBondContact O-CA 3.29Å; S492-F547 PolarHBondContact N-O 3.09Å; S492-F547 PolarHBondContact O-N 3.06Å
493L97.1Very high91.7Very high0 Ų027.6 Ų27.60%015%0.153CC..EExtended strand (participates in β ladder)trans-113.7131.7179.7-64.2175.4000110.5I471 L473 N505 L506 G507 I509 M526 I544 K545I471-L493 HydrophobicContact CD1-CD1 4.25Å; I471-L493 HydrophobicContact CG2-CD1 4.25Å; L473-L493 HydrophobicContact CD1-CD2 4.17Å; L493-N505 PolarHBondContact O-ND2 3.31Å; L493-N505 VanDerWaalsContact O-ND2 3.16Å; L493-L506 HydrophobicContact CB-CB 4.07Å; L493-L506 HydrophobicContact CB-CD1 4.38Å; L493-L506 WeakPolarHBondContact O-CB 3.46Å; L493-L506 PolarHBondContact O-N 2.91Å; L493-G507 PolarHBondContact N-O 3.38Å; L493-G507 PolarHBondContact O-N 3.28Å; L493-I509 HydrophobicContact CD1-CD1 4.16Å; L493-M526 HydrophobicContact CB-CE 4.47Å; L493-M526 HydrophobicContact CD1-CB 4.45Å; L493-M526 HydrophobicContact CD1-CE 3.88Å; L493-M526 HydrophobicContact CD1-SD 3.83Å; L493-I544 HydrophobicContact CB-CG2 4.43Å; L493-I544 HydrophobicContact CD2-CG2 4.04Å; L493-K545 WeakPolarHBondContact CA-O 3.33Å
494D94.9Very high92.2Very high2 Ų225.8 Ų25.81%0.01114%0.142CC..EExtended strand (participates in β ladder)trans-126.4147.9178.8-72.6-34.5000110.8Q496 K502 N505 I544 K545D494-Q496 HydrophobicContact CB-CG 4.09Å; D494-K502 HydrophobicContact CB-CD 4.49Å; D494-K502 HydrophobicContact CB-CG 4.36Å; D494-K502 WeakPolarHBondContact OD1-CE 3.45Å; D494-K502 IonicContact OD1-NZ 3.89Å; D494-K502 PolarHBondContact OD1-NZ 2.72Å; D494-K502 WeakPolarHBondContact OD2-CD 3.15Å; D494-K502 VanDerWaalsContact OD2-CE 3.3Å; D494-K502 WeakPolarHBondContact OD2-CE 3.34Å; D494-K502 IonicContact OD2-NZ 3.3Å; D494-K502 PolarHBondContact OD2-NZ 3.06Å; D494-N505 VanDerWaalsContact OD1-CA 3.31Å; D494-N505 WeakPolarHBondContact OD1-CA 3.25Å; D494-N505 WeakPolarHBondContact OD1-CB 3.06Å; D494-N505 PolarHBondContact OD1-ND2 2.95Å; D494-I544 CarbonylContact O-C 3.59Å; D494-I544 WeakPolarHBondContact O-CA 3.07Å; D494-K545 PolarHBondContact N-O 3.41Å; D494-K545 PolarHBondContact O-N 3.22Å
495L93.9Very high92.6Very high0 Ų024.6 Ų24.60%013%0.131CC..EExtended strand (participates in β ladder)trans-91.6126.6165.5-163.171.8000108.8K503 T504 L506 K534 M542 V543 I544 F567L495-K503 PolarHBondContact O-N 3.03Å; L495-T504 HydrophobicContact CB-CG2 3.81Å; L495-T504 HydrophobicContact CD2-CG2 4.18Å; L495-T504 PolarHBondContact N-O 2.92Å; L495-T504 PolarHBondContact O-N 2.88Å; L495-L506 HydrophobicContact CB-CD2 4.13Å; L495-L506 HydrophobicContact CB-CG 4.43Å; L495-K534 HydrophobicContact CD2-CB 4.2Å; L495-M542 HydrophobicContact CD1-CB 4.06Å; L495-M542 HydrophobicContact CD2-CG 4.33Å; L495-M542 HydrophobicContact CD2-SD 4.14Å; L495-M542 HydrophobicContact CG-CB 4.24Å; L495-M542 HydrophobicContact CG-CG 4.43Å; L495-M542 HydrophobicContact CG-SD 4.1Å; L495-V543 WeakPolarHBondContact CA-O 3.34Å; L495-I544 HydrophobicContact CD1-CG1 4.26Å; L495-F567 HydrophobicContact CD1-CE2 4.08Å; L495-F567 HydrophobicContact CD1-CZ 4.21Å
496Q92.2Very high92.9Very high15 Ų1523.3 Ų23.37%0.0713%0.125CC..EExtended strand (participates in β ladder)trans-134.3160.5-175-49-167.5-19.300111.7D494 G500 N501 K502 M542 V543 K545D494-Q496 HydrophobicContact CB-CG 4.09Å; Q496-G500 PolarHBondContact OE1-O 3.42Å; Q496-N501 VanDerWaalsContact CA-O 3.28Å; Q496-N501 WeakPolarHBondContact CA-O 3.42Å; Q496-K502 HydrophobicContact CG-CB 4.46Å; Q496-M542 CarbonylContact O-C 3.54Å; Q496-M542 WeakPolarHBondContact O-CA 3.31Å; Q496-V543 HydrophobicContact CB-CG2 4.19Å; Q496-V543 PolarHBondContact N-O 3.26Å; Q496-V543 PolarHBondContact O-N 3.23Å; Q496-K545 HydrophobicContact CG-CB 3.85Å
497T90.1Very high93Very high2 Ų220.9 Ų20.91%0.01212%0.115CC..EExtended strand (participates in β ladder)trans-72.7168.3162.858.70000110.5T499 G500 N501 M542T497-T499 PolarHBondContact O-N 3.49Å; T497-T499 VanDerWaalsContact O-N 3.1Å; T497-T499 PolarHBondContact OG1-OG1 3.45Å; T497-G500 PolarHBondContact O-N 2.85Å; T497-N501 HydrophobicContact CG2-CB 4.48Å; T497-N501 PolarHBondContact N-O 3.13Å; T497-N501 VanDerWaalsContact OG1-CB 3.3Å; T497-N501 WeakPolarHBondContact OG1-CB 3.46Å; T497-N501 PolarHBondContact OG1-N 3.29Å; T497-M542 HydrophobicContact CG2-CE 3.49Å; T497-M542 VanDerWaalsContact CG2-CE 3.49Å
498Y87.6Confident93.1Very high2 Ų223.7 Ų23.71%0.00813%0.132CC..THydrogen-bonded Turntrans-63.2-18177.782.1-81.1000114.8W221 Q255 W257 W312 N313 F314 G500W221-Y498 AromaticContact CD1-CE1 3.81Å; W221-Y498 AromaticContact CD1-CZ 3.88Å; W221-Y498 AromaticContact NE1-CE1 3.87Å; W221-Y498 AromaticContact NE1-CZ 3.45Å; W221-Y498 PolarHBondContact NE1-OH 3.42Å; Q255-Y498 WeakPolarHBondContact CB-OH 3.38Å; Q255-Y498 PolarHBondContact OE1-OH 2.93Å; W257-Y498 HydrophobicContact CH2-CE1 4.44Å; W257-Y498 AromaticContact CZ3-CE1 3.98Å; W257-Y498 HydrophobicContact CZ3-CE1 3.98Å; W257-Y498 HydrophobicContact CZ3-CE2 4.32Å; W257-Y498 AromaticContact CZ3-CZ 3.67Å; W257-Y498 WeakPolarHBondContact CZ3-OH 3.45Å; W312-Y498 AromaticContact CE3-CE2 3.86Å; W312-Y498 HydrophobicContact CE3-CE2 3.86Å; W312-Y498 HydrophobicContact CZ3-CE2 4.18Å; N313-Y498 PolarHBondContact N-O 3.43Å; N313-Y498 VanDerWaalsContact ND2-CA 3.3Å; N313-Y498 WeakPolarHBondContact ND2-CA 3.15Å; N313-Y498 PolarHBondContact ND2-O 3.27Å; F314-Y498 HydrophobicContact CD1-CD2 4.04Å; F314-Y498 AromaticContact CE1-CD2 3.55Å; F314-Y498 HydrophobicContact CE1-CD2 3.55Å; F314-Y498 HydrophobicContact CE1-CE2 4.15Å; F314-Y498 AromaticContact CE1-CG 3.97Å; F314-Y498 HydrophobicContact CE1-CG 3.97Å; F314-Y498 HydrophobicContact CE2-CD2 4.47Å; F314-Y498 HydrophobicContact CE2-CE2 4.27Å; F314-Y498 AromaticContact CZ-CD2 3.77Å; F314-Y498 HydrophobicContact CZ-CD2 3.77Å; F314-Y498 AromaticContact CZ-CE2 3.87Å; F314-Y498 HydrophobicContact CZ-CE2 3.87Å; F314-Y498 HydrophobicContact CZ-CG 4.32Å; Y498-G500 VanDerWaalsContact C-N 3.3Å
499T87.2Confident93.1Very high2 Ų222.2 Ų22.21%0.01212%0.124CC..THydrogen-bonded Turntrans-85.4317561.70000113.8W221 W312 T497 N501W221-T499 HydrophobicContact CG-CG2 4.29Å; W312-T499 HydrophobicContact CD2-CG2 3.59Å; W312-T499 HydrophobicContact CE3-CG2 3.64Å; W312-T499 HydrophobicContact CG-CG2 4.31Å; W312-T499 HydrophobicContact CH2-CG2 3.71Å; W312-T499 HydrophobicContact CZ2-CG2 3.67Å; W312-T499 HydrophobicContact CZ3-CG2 3.69Å; T497-T499 PolarHBondContact O-N 3.49Å; T497-T499 VanDerWaalsContact O-N 3.1Å; T497-T499 PolarHBondContact OG1-OG1 3.45Å; T499-N501 PolarHBondContact OG1-ND2 2.84Å; T499-N501 VanDerWaalsContact OG1-ND2 3.1Å
500G86.3Confident93.1Very high21 Ų2128.8 Ų28.822%0.21616%0.155CC..  trans85.55.4-178.100000115.1Q496 T497 Y498 K502Q496-G500 PolarHBondContact OE1-O 3.42Å; T497-G500 PolarHBondContact O-N 2.85Å; Y498-G500 VanDerWaalsContact C-N 3.3Å; G500-K502 PolarHBondContact O-N 3.26Å; G500-K502 VanDerWaalsContact O-N 3.13Å
501N87.8Confident93Very high80 Ų8032.3 Ų32.343%0.42817%0.169SC..  trans-73.2110.6178.1-65.5-38.6000110.5Q496 T497 T499 K503Q496-N501 VanDerWaalsContact CA-O 3.28Å; Q496-N501 WeakPolarHBondContact CA-O 3.42Å; T497-N501 HydrophobicContact CG2-CB 4.48Å; T497-N501 PolarHBondContact N-O 3.13Å; T497-N501 VanDerWaalsContact OG1-CB 3.3Å; T497-N501 WeakPolarHBondContact OG1-CB 3.46Å; T497-N501 PolarHBondContact OG1-N 3.29Å; T499-N501 PolarHBondContact OG1-ND2 2.84Å; T499-N501 VanDerWaalsContact OG1-ND2 3.1Å; N501-K503 PolarHBondContact O-N 2.85Å
502K90.3Very high93Very high68 Ų6836.7 Ų36.730%0.29620%0.196SC..EExtended strand (participates in β ladder)trans-61.9126.6176.4-179.5175.4-179.6149.40112D494 Q496 G500D494-K502 HydrophobicContact CB-CD 4.49Å; D494-K502 HydrophobicContact CB-CG 4.36Å; D494-K502 WeakPolarHBondContact OD1-CE 3.45Å; D494-K502 IonicContact OD1-NZ 3.89Å; D494-K502 PolarHBondContact OD1-NZ 2.72Å; D494-K502 WeakPolarHBondContact OD2-CD 3.15Å; D494-K502 VanDerWaalsContact OD2-CE 3.3Å; D494-K502 WeakPolarHBondContact OD2-CE 3.34Å; D494-K502 IonicContact OD2-NZ 3.3Å; D494-K502 PolarHBondContact OD2-NZ 3.06Å; Q496-K502 HydrophobicContact CG-CB 4.46Å; G500-K502 PolarHBondContact O-N 3.26Å; G500-K502 VanDerWaalsContact O-N 3.13Å
503K91Very high92.8Very high63 Ų6337.9 Ų37.927%0.27420%0.203SC..EExtended strand (participates in β ladder)trans-101.9-40.6175.3-61.6-59178.5174.70112.3T222 L495 N501 V538 M542T222-K503 PolarHBondContact O-NZ 2.86Å; L495-K503 PolarHBondContact O-N 3.03Å; N501-K503 PolarHBondContact O-N 2.85Å; K503-V538 HydrophobicContact CD-CG1 3.94Å; K503-V538 HydrophobicContact CG-CG2 4.44Å; K503-M542 HydrophobicContact CG-CE 4.32Å; K503-M542 HydrophobicContact CG-SD 4.02Å
504T92.4Very high92.6Very high35 Ų3543.4 Ų43.422%0.21523%0.229CC..EExtended strand (participates in β ladder)trans-162.8154.6179.4-174.10000111L495 K534 M537L495-T504 HydrophobicContact CB-CG2 3.81Å; L495-T504 HydrophobicContact CD2-CG2 4.18Å; L495-T504 PolarHBondContact N-O 2.92Å; L495-T504 PolarHBondContact O-N 2.88Å; T504-K534 HydrophobicContact CG2-CB 4.34Å; T504-K534 HydrophobicContact CG2-CD 3.66Å; T504-M537 HydrophobicContact CG2-SD 3.87Å
505N93.4Very high92.3Very high52 Ų5243.5 Ų43.528%0.27823%0.229SC..EExtended strand (participates in β ladder)trans-84137.1171.5-176.6-107.4000109.6L493 D494 G507 K534L493-N505 PolarHBondContact O-ND2 3.31Å; L493-N505 VanDerWaalsContact O-ND2 3.16Å; D494-N505 VanDerWaalsContact OD1-CA 3.31Å; D494-N505 WeakPolarHBondContact OD1-CA 3.25Å; D494-N505 WeakPolarHBondContact OD1-CB 3.06Å; D494-N505 PolarHBondContact OD1-ND2 2.95Å; N505-G507 WeakPolarHBondContact OD1-CA 3.45Å; N505-G507 PolarHBondContact OD1-N 2.99Å; N505-K534 PolarHBondContact O-NZ 3.39Å
506L95.4Very high91.8Very high7 Ų749.6 Ų49.64%0.03726%0.258CS..EExtended strand (participates in β ladder)trans-88.9-40.6174.6-58.3-177.7000110.2I471 L493 L495 M526 F530 K534 I544I471-L506 HydrophobicContact CD1-CD1 4.27Å; L493-L506 HydrophobicContact CB-CB 4.07Å; L493-L506 HydrophobicContact CB-CD1 4.38Å; L493-L506 WeakPolarHBondContact O-CB 3.46Å; L493-L506 PolarHBondContact O-N 2.91Å; L495-L506 HydrophobicContact CB-CD2 4.13Å; L495-L506 HydrophobicContact CB-CG 4.43Å; L506-M526 HydrophobicContact CB-SD 3.85Å; L506-F530 VanDerWaalsContact CD2-O 3.3Å; L506-F530 WeakPolarHBondContact CD2-O 3.49Å; L506-F530 WeakPolarHBondContact O-CD1 3.44Å; L506-K534 HydrophobicContact CD2-CD 4.09Å; L506-I544 HydrophobicContact CD1-CD1 4.48Å; L506-I544 HydrophobicContact CD1-CG1 3.91Å; L506-I544 HydrophobicContact CD1-CG2 4.04Å
507G95.1Very high91.4Very high14 Ų1450.2 Ų50.214%0.14427%0.268CS..EExtended strand (participates in β ladder)trans155.4-178.5173.500000111.6L493 N505L493-G507 PolarHBondContact N-O 3.38Å; L493-G507 PolarHBondContact O-N 3.28Å; N505-G507 WeakPolarHBondContact OD1-CA 3.45Å; N505-G507 PolarHBondContact OD1-N 2.99Å
508V96.5Very high91.2Very high59 Ų5955.7 Ų55.736%0.35829%0.294SS..EExtended strand (participates in β ladder)trans-118.7128173.8-174.50000108.6S490 C491 Q510S490-V508 WeakPolarHBondContact OG-CG1 3.41Å; C491-V508 CarbonylContact O-C 3.59Å; C491-V508 WeakPolarHBondContact O-CA 3.25Å; V508-Q510 HydrophobicContact CG1-CG 4.01Å
509I96.6Very high91.4Very high29 Ų2960.4 Ų60.415%0.14932%0.315CS..EExtended strand (participates in β ladder)trans-100.5121.9172.2-50.6170.4000107.3C491 L493 L524 M526C491-I509 HydrophobicContact CB-CB 4.36Å; C491-I509 PolarHBondContact N-O 2.8Å; C491-I509 PolarHBondContact O-N 3.41Å; L493-I509 HydrophobicContact CD1-CD1 4.16Å; I509-L524 HydrophobicContact CB-CD1 4.38Å; I509-L524 HydrophobicContact CD1-CB 4.08Å; I509-L524 HydrophobicContact CG2-CB 4.21Å; I509-L524 HydrophobicContact CG2-CD1 4.26Å; I509-L524 HydrophobicContact CG2-CD2 3.92Å; I509-L524 HydrophobicContact CG2-CG 4.37Å; I509-M526 HydrophobicContact CD1-CB 4.06Å; I509-M526 HydrophobicContact CD1-CE 4.31Å; I509-M526 HydrophobicContact CG1-CE 4.02Å
510Q96Very high91.7Very high142 Ų14261.4 Ų61.466%0.66432%0.323SS*.EExtended strand (participates in β ladder)trans-115.2135.9174.8-67.7-177.3-31.200110.1I489 V508I489-Q510 CarbonylContact O-C 3.59Å; I489-Q510 VanDerWaalsContact O-CA 3.3Å; I489-Q510 WeakPolarHBondContact O-CA 3.33Å; V508-Q510 HydrophobicContact CG1-CG 4.01Å
511K95.8Very high92.1Very high84 Ų8466.8 Ų66.837%0.36534%0.342SS..EExtended strand (participates in β ladder)trans-147.6129.4179.3-161.8180-174.9179.10110.2I489 V513 V522 S523 L524I489-K511 PolarHBondContact N-O 2.83Å; I489-K511 PolarHBondContact O-N 3.41Å; K511-V513 HydrophobicContact CD-CG1 3.95Å; K511-V513 HydrophobicContact CG-CG1 3.94Å; K511-V522 HydrophobicContact CD-CG1 3.79Å; K511-S523 PolarHBondContact NZ-O 2.71Å; K511-L524 HydrophobicContact CB-CD2 3.95Å; K511-L524 HydrophobicContact CD-CD2 3.8Å
512T95.9Very high92.4Very high92 Ų9263.3 Ų63.356%0.56432%0.324SS*.EExtended strand (participates in β ladder)trans-100.2128.7168.6-57.60000108.4V487 N488V487-T512 WeakPolarHBondContact O-CA 3.27Å; N488-T512 WeakPolarHBondContact OD1-CB 3.41Å; N488-T512 VanDerWaalsContact OD1-CG2 3.27Å; N488-T512 WeakPolarHBondContact OD1-CG2 3.38Å; N488-T512 PolarHBondContact OD1-OG1 3.22Å
513V94Very high92.7Very high26 Ų2663.7 Ų63.716%0.15834%0.335CS..EExtended strand (participates in β ladder)trans-133.9146.5178.9-65.60000110.5V487 I489 K511 I515 V522V487-V513 PolarHBondContact N-O 3.42Å; V487-V513 PolarHBondContact O-N 2.91Å; I489-V513 HydrophobicContact CD1-CG2 4.18Å; K511-V513 HydrophobicContact CD-CG1 3.95Å; K511-V513 HydrophobicContact CG-CG1 3.94Å; V513-I515 HydrophobicContact CG2-CG2 4.06Å; V513-V522 HydrophobicContact CG1-CG1 3.92Å; V513-V522 HydrophobicContact CG2-CG1 4.39Å; V513-V522 HydrophobicContact CG2-CG2 3.84Å
514Q92.3Very high92.9Very high116 Ų11661 Ų6154%0.54232%0.324SS..EExtended strand (participates in β ladder)trans-92117.1168.2-167.2-175.230.600108.5
515I88.9Confident93.1Very high5 Ų563 Ų633%0.02634%0.339CS..EExtended strand (participates in β ladder)trans-99.6127.4177.752.1167.9000109.9L477 R479 P484 Q485 V487 V513L477-I515 HydrophobicContact CD1-CD1 4.36Å; L477-I515 HydrophobicContact CD1-CG2 4.23Å; R479-I515 HydrophobicContact CG-CD1 4.4Å; R479-I515 VanDerWaalsContact NE-CD1 3.35Å; R479-I515 PolarHBondContact NH2-O 2.67Å; P484-I515 VanDerWaalsContact CA-O 3.32Å; P484-I515 WeakPolarHBondContact CA-O 3.27Å; Q485-I515 PolarHBondContact N-O 3.13Å; Q485-I515 VanDerWaalsContact N-O 3.13Å; Q485-I515 WeakPolarHBondContact O-CG1 3.11Å; Q485-I515 PolarHBondContact O-N 3.04Å; V487-I515 HydrophobicContact CB-CD1 4.46Å; V487-I515 HydrophobicContact CG2-CD1 3.43Å; V487-I515 VanDerWaalsContact CG2-CD1 3.43Å; V487-I515 HydrophobicContact CG2-CG1 3.72Å; V513-I515 HydrophobicContact CG2-CG2 4.06Å
516Q82.9Confident93.2Very high127 Ų12761 Ų6159%0.59333%0.328SS*.  trans-106.2-36.7-173.8-61.7-178.63.700112.3A482A482-Q516 CarbonylContact C-O 3.45Å
517G84.1Confident93.3Very high28 Ų2864.4 Ų64.429%0.28935%0.347SS..SBendtrans-83.3173.5-178.800000114.4R479R479-G517 PolarHBondContact NH2-O 3.26Å
518Q86.6Confident93.3Very high118 Ų11864.6 Ų64.655%0.55135%0.345SS*.SBendtrans-67.9-26.4164.4-77.6-178.3-23.300111.9K478 R479 K480 A482K478-Q518 CarbonylContact C-O 3.44Å; K478-Q518 VanDerWaalsContact CA-O 3.25Å; K478-Q518 WeakPolarHBondContact CA-O 3.29Å; R479-Q518 PolarHBondContact N-O 2.82Å; K480-Q518 PolarHBondContact O-NE2 2.96Å; A482-Q518 HydrophobicContact CB-CG 4.18Å
519E91.3Very high93.2Very high100 Ų10064.2 Ų64.247%0.46735%0.345SS..EExtended strand (participates in β ladder)trans-128.2136.5173.9-172.7157.1175.300108.4V476 L477 K478V476-E519 HydrophobicContact CG1-CG 3.81Å; V476-E519 WeakPolarHBondContact CG1-OE1 3.39Å; L477-E519 WeakPolarHBondContact O-CA 3.42Å; K478-E519 VanDerWaalsContact CE-OE1 3.26Å; K478-E519 WeakPolarHBondContact CE-OE1 3.31Å; K478-E519 WeakPolarHBondContact CE-OE2 3.35Å; K478-E519 HydrophobicContact CG-CB 4.48Å; K478-E519 HydrophobicContact CG-CG 4.06Å; K478-E519 IonicContact NZ-OE1 2.72Å; K478-E519 PolarHBondContact NZ-OE1 3.36Å; K478-E519 IonicContact NZ-OE2 2.82Å; K478-E519 PolarHBondContact NZ-OE2 3.28Å
520S92.6Very high93.1Very high24 Ų2467.2 Ų67.217%0.16836%0.358CS..EExtended strand (participates in β ladder)trans-146.4134.4179.9-65.30000109.9L477L477-S520 PolarHBondContact N-O 3.1Å; L477-S520 PolarHBondContact O-N 3.44Å
521E94.8Very high93.1Very high133 Ų13360.5 Ų60.562%0.62133%0.326SS*.EExtended strand (participates in β ladder)trans-99.8133.7177.6-63.6-171.4171.900110.5T474 I475 V476T474-E521 HydrophobicContact CG2-CB 4.06Å; T474-E521 HydrophobicContact CG2-CG 4.33Å; I475-E521 CarbonylContact O-C 3.59Å; I475-E521 WeakPolarHBondContact O-CA 3.48Å; V476-E521 HydrophobicContact CG2-CG 4.37Å
522V95.1Very high92.9Very high7 Ų756.5 Ų56.54%0.04231%0.309CS..EExtended strand (participates in β ladder)trans-127115179.2-171.30000109.4I475 L477 I489 K511 V513I475-V522 HydrophobicContact CB-CB 4.48Å; I475-V522 PolarHBondContact N-O 2.81Å; I475-V522 PolarHBondContact O-N 2.69Å; L477-V522 HydrophobicContact CD1-CG2 4.26Å; I489-V522 HydrophobicContact CD1-CB 3.93Å; I489-V522 HydrophobicContact CD1-CG1 3.8Å; I489-V522 HydrophobicContact CD1-CG2 3.92Å; K511-V522 HydrophobicContact CD-CG1 3.79Å; V513-V522 HydrophobicContact CG1-CG1 3.92Å; V513-V522 HydrophobicContact CG2-CG1 4.39Å; V513-V522 HydrophobicContact CG2-CG2 3.84Å
523S95.4Very high92.7Very high77 Ų7759.7 Ų59.754%0.53831%0.312SS..EExtended strand (participates in β ladder)trans-83.7131.8175.8-460000111.8L473 K511L473-S523 CarbonylContact O-C 3.52Å; L473-S523 VanDerWaalsContact O-CA 3.3Å; L473-S523 WeakPolarHBondContact O-CA 3.41Å; K511-S523 PolarHBondContact NZ-O 2.71Å
524L96.1Very high92.6Very high7 Ų761.1 Ų61.14%0.03732%0.316CS..EExtended strand (participates in β ladder)trans-117.9141167.8-56-173.1000108.8L473 I475 I489 C491 I509 K511L473-L524 HydrophobicContact CB-CB 4.29Å; L473-L524 PolarHBondContact N-O 3.42Å; L473-L524 PolarHBondContact O-N 2.85Å; I475-L524 HydrophobicContact CD1-CD1 3.38Å; I475-L524 HydrophobicContact CD1-CG 3.8Å; I475-L524 HydrophobicContact CG1-CD1 4.46Å; I489-L524 HydrophobicContact CG2-CD1 4.28Å; C491-L524 HydrophobicContact CB-CD1 3.47Å; C491-L524 VanDerWaalsContact CB-CD1 3.47Å; I509-L524 HydrophobicContact CB-CD1 4.38Å; I509-L524 HydrophobicContact CD1-CB 4.08Å; I509-L524 HydrophobicContact CG2-CB 4.21Å; I509-L524 HydrophobicContact CG2-CD1 4.26Å; I509-L524 HydrophobicContact CG2-CD2 3.92Å; I509-L524 HydrophobicContact CG2-CG 4.37Å; K511-L524 HydrophobicContact CB-CD2 3.95Å; K511-L524 HydrophobicContact CD-CD2 3.8Å
525S95.7Very high92.3Very high75 Ų7556.2 Ų56.252%0.52429%0.293SS..EExtended strand (participates in β ladder)trans-135141.2179.81750000110.9I471 N472I471-S525 CarbonylContact O-C 3.56Å; I471-S525 VanDerWaalsContact O-CA 3.26Å; I471-S525 WeakPolarHBondContact O-CA 3.37Å; N472-S525 WeakPolarHBondContact OD1-CB 3.26Å; N472-S525 PolarHBondContact OD1-OG 2.9Å
526M96.8Very high91.9Very high11 Ų1156.3 Ų56.35%0.05430%0.296CS..EExtended strand (participates in β ladder)trans-134.1130171.7175.2178.5-73.400109.5P470 I471 L493 L506 I509 F530P470-M526 CarbonylContact C-O 3.57Å; P470-M526 WeakPolarHBondContact CA-O 3.22Å; I471-M526 HydrophobicContact CB-CB 4.26Å; I471-M526 HydrophobicContact CD1-CB 4.46Å; I471-M526 HydrophobicContact CD1-CG 4.44Å; I471-M526 HydrophobicContact CD1-SD 4.14Å; I471-M526 PolarHBondContact N-O 3.48Å; I471-M526 PolarHBondContact O-N 2.76Å; L493-M526 HydrophobicContact CB-CE 4.47Å; L493-M526 HydrophobicContact CD1-CB 4.45Å; L493-M526 HydrophobicContact CD1-CE 3.88Å; L493-M526 HydrophobicContact CD1-SD 3.83Å; L506-M526 HydrophobicContact CB-SD 3.85Å; I509-M526 HydrophobicContact CD1-CB 4.06Å; I509-M526 HydrophobicContact CD1-CE 4.31Å; I509-M526 HydrophobicContact CG1-CE 4.02Å; M526-F530 HydrophobicContact CG-CB 3.8Å; M526-F530 HydrophobicContact CG-CD1 4.49Å; M526-F530 HydrophobicContact CG-CD2 3.54Å; M526-F530 HydrophobicContact CG-CE2 4.23Å; M526-F530 HydrophobicContact CG-CG 3.68Å; M526-F530 HydrophobicContact SD-CB 3.7Å; M526-F530 HydrophobicContact SD-CD1 4.36Å; M526-F530 HydrophobicContact SD-CD2 4.38Å; M526-F530 HydrophobicContact SD-CG 3.9Å
527D96.3Very high92Very high79 Ų7955 Ų5542%0.42229%0.29SS..  trans-63151.2-177.6-176.9-104000112.6S529 F530D527-S529 PolarHBondContact O-N 2.86Å; D527-S529 WeakPolarHBondContact OD1-CB 3.29Å; D527-S529 PolarHBondContact OD1-N 2.91Å; D527-S529 PolarHBondContact OD1-OG 3.48Å; D527-F530 HydrophobicContact CB-CD2 4.13Å; D527-F530 HydrophobicContact CB-CE2 4.3Å; D527-F530 WeakPolarHBondContact O-CD2 3.46Å; D527-F530 PolarHBondContact O-N 3Å
528S95.3Very high92.1Very high17 Ų1754.5 Ų54.512%0.11928%0.282CS..THydrogen-bonded Turntrans-61.2-27.3-179.170.30000113.5G468 H469 F530 Y531 I532G468-S528 WeakPolarHBondContact O-CB 3.42Å; G468-S528 PolarHBondContact O-OG 2.88Å; H469-S528 WeakPolarHBondContact O-CB 3.4Å; S528-F530 PolarHBondContact O-N 2.87Å; S528-F530 VanDerWaalsContact O-N 3.1Å; S528-Y531 WeakPolarHBondContact O-CD1 3.19Å; S528-Y531 PolarHBondContact O-N 3Å; S528-Y531 VanDerWaalsContact O-N 3.11Å; S528-I532 WeakPolarHBondContact O-CB 3.25Å; S528-I532 WeakPolarHBondContact O-CG2 3.28Å; S528-I532 PolarHBondContact O-N 2.86Å
529S94.9Very high92.1Very high51 Ų5150.6 Ų50.636%0.35727%0.265SS..Hα-helixtrans-56.3-27178.159.40000113.5D527 Y531 Y533D527-S529 PolarHBondContact O-N 2.86Å; D527-S529 WeakPolarHBondContact OD1-CB 3.29Å; D527-S529 PolarHBondContact OD1-N 2.91Å; D527-S529 PolarHBondContact OD1-OG 3.48Å; S529-Y531 VanDerWaalsContact C-N 3.28Å; S529-Y531 PolarHBondContact O-N 3.45Å; S529-Y533 WeakPolarHBondContact O-CD2 3.31Å
530F94.9Very high91.9Very high93 Ų9346.1 Ų46.141%0.40824%0.244SC..Hα-helixtrans-66.6-28.6-180-77.4-88.3000113.5L506 M526 D527 S528 K534L506-F530 VanDerWaalsContact CD2-O 3.3Å; L506-F530 WeakPolarHBondContact CD2-O 3.49Å; L506-F530 WeakPolarHBondContact O-CD1 3.44Å; M526-F530 HydrophobicContact CG-CB 3.8Å; M526-F530 HydrophobicContact CG-CD1 4.49Å; M526-F530 HydrophobicContact CG-CD2 3.54Å; M526-F530 HydrophobicContact CG-CE2 4.23Å; M526-F530 HydrophobicContact CG-CG 3.68Å; M526-F530 HydrophobicContact SD-CB 3.7Å; M526-F530 HydrophobicContact SD-CD1 4.36Å; M526-F530 HydrophobicContact SD-CD2 4.38Å; M526-F530 HydrophobicContact SD-CG 3.9Å; D527-F530 HydrophobicContact CB-CD2 4.13Å; D527-F530 HydrophobicContact CB-CE2 4.3Å; D527-F530 WeakPolarHBondContact O-CD2 3.46Å; D527-F530 PolarHBondContact O-N 3Å; S528-F530 PolarHBondContact O-N 2.87Å; S528-F530 VanDerWaalsContact O-N 3.1Å; F530-K534 VanDerWaalsContact O-CD 3.31Å; F530-K534 WeakPolarHBondContact O-CD 3.3Å; F530-K534 WeakPolarHBondContact O-CE 3.13Å; F530-K534 PolarHBondContact O-NZ 3.19Å; F530-K534 VanDerWaalsContact O-NZ 3.09Å
531Y94.6Very high91.5Very high0 Ų046.5 Ų46.50%024%0.243CC..Hα-helixtrans-115.9-33.9-17973.9-101.2000113.6E466 L467 G468 H469 I471 S528 S529 Y533 K534 L535 I544 F567E466-Y531 PolarHBondContact O-OH 2.72Å; L467-Y531 HydrophobicContact CD1-CE2 4.2Å; G468-Y531 WeakPolarHBondContact CA-OH 3.18Å; G468-Y531 PolarHBondContact N-OH 2.98Å; H469-Y531 PolarHBondContact N-OH 2.86Å; H469-Y531 VanDerWaalsContact N-OH 3.12Å; H469-Y531 WeakPolarHBondContact O-CE1 3.25Å; H469-Y531 PolarHBondContact O-OH 2.81Å; I471-Y531 HydrophobicContact CD1-CD1 3.82Å; I471-Y531 HydrophobicContact CD1-CE1 4.28Å; I471-Y531 HydrophobicContact CG1-CD1 4.04Å; I471-Y531 HydrophobicContact CG1-CE1 3.96Å; S528-Y531 WeakPolarHBondContact O-CD1 3.19Å; S528-Y531 PolarHBondContact O-N 3Å; S528-Y531 VanDerWaalsContact O-N 3.11Å; S529-Y531 VanDerWaalsContact C-N 3.28Å; S529-Y531 PolarHBondContact O-N 3.45Å; Y531-Y533 VanDerWaalsContact C-N 3.33Å; Y531-Y533 PolarHBondContact O-N 3.25Å; Y531-K534 CarbonylContact O-C 3.59Å; Y531-K534 WeakPolarHBondContact O-CA 3.09Å; Y531-K534 WeakPolarHBondContact O-CB 3.35Å; Y531-K534 PolarHBondContact O-N 3.33Å; Y531-L535 HydrophobicContact CD2-CD1 4.15Å; Y531-L535 HydrophobicContact CD2-CD2 4.37Å; Y531-L535 HydrophobicContact CD2-CG 4.27Å; Y531-L535 HydrophobicContact CE2-CD1 4.24Å; Y531-L535 PolarHBondContact O-N 2.76Å; Y531-I544 HydrophobicContact CD1-CD1 4.44Å; Y531-F567 AromaticContact CD2-CE1 3.58Å; Y531-F567 HydrophobicContact CD2-CE1 3.58Å; Y531-F567 AromaticContact CD2-CZ 3.7Å; Y531-F567 HydrophobicContact CD2-CZ 3.7Å; Y531-F567 HydrophobicContact CE1-CE1 4.49Å; Y531-F567 HydrophobicContact CE2-CD1 4.27Å; Y531-F567 AromaticContact CE2-CE1 3.42Å; Y531-F567 HydrophobicContact CE2-CE1 3.42Å; Y531-F567 VanDerWaalsContact CE2-CE1 3.42Å; Y531-F567 HydrophobicContact CE2-CZ 4.04Å; Y531-F567 HydrophobicContact CG-CE1 4.25Å; Y531-F567 HydrophobicContact CG-CZ 4.23Å; Y531-F567 AromaticContact CZ-CE1 3.9Å
532I93Very high91.2Very high1 Ų140.6 Ų40.61%0.00522%0.216CC..Hα-helixtrans-59.3-42.2-167-165.869.2000112.1L467 S528 K534 L535 L596 P597 I598L467-I532 HydrophobicContact CG-CD1 4.48Å; S528-I532 WeakPolarHBondContact O-CB 3.25Å; S528-I532 WeakPolarHBondContact O-CG2 3.28Å; S528-I532 PolarHBondContact O-N 2.86Å; I532-K534 PolarHBondContact O-N 2.94Å; I532-L535 HydrophobicContact CD1-CD1 3.46Å; I532-L535 VanDerWaalsContact CD1-CD1 3.46Å; I532-L535 HydrophobicContact CG1-CD1 4.3Å; I532-L535 WeakPolarHBondContact O-CB 3.3Å; I532-L535 WeakPolarHBondContact O-CG 3.28Å; I532-L535 PolarHBondContact O-N 3.24Å; I532-L596 HydrophobicContact CD1-CD2 4.41Å; I532-P597 HydrophobicContact CG1-CG 3.99Å; I532-I598 HydrophobicContact CD1-CD1 4.21Å; I532-I598 HydrophobicContact CD1-CG1 4.4Å; I532-I598 HydrophobicContact CG1-CD1 4.08Å; I532-I598 HydrophobicContact CG1-CG1 4.18Å; I532-I598 HydrophobicContact CG1-CG2 4.11Å; I532-I598 WeakPolarHBondContact O-CD1 3.25Å
533Y91.6Very high91.1Very high159 Ų15940.3 Ų40.362%0.62421%0.214SC*.THydrogen-bonded Turntrans-77-8.1179-58.1-70.2000113.8S529 Y531 I598S529-Y533 WeakPolarHBondContact O-CD2 3.31Å; Y531-Y533 VanDerWaalsContact C-N 3.33Å; Y531-Y533 PolarHBondContact O-N 3.25Å; Y533-I598 HydrophobicContact CD1-CG2 3.61Å; Y533-I598 HydrophobicContact CE1-CG2 3.54Å
534K91.7Very high91Very high56 Ų5636.6 Ų36.624%0.24319%0.188CC..THydrogen-bonded Turntrans-98.2-5.4175.6-56.4179.9-172.4164.80111.4L495 T504 N505 L506 F530 Y531 I532 M537L495-K534 HydrophobicContact CD2-CB 4.2Å; T504-K534 HydrophobicContact CG2-CB 4.34Å; T504-K534 HydrophobicContact CG2-CD 3.66Å; N505-K534 PolarHBondContact O-NZ 3.39Å; L506-K534 HydrophobicContact CD2-CD 4.09Å; F530-K534 VanDerWaalsContact O-CD 3.31Å; F530-K534 WeakPolarHBondContact O-CD 3.3Å; F530-K534 WeakPolarHBondContact O-CE 3.13Å; F530-K534 PolarHBondContact O-NZ 3.19Å; F530-K534 VanDerWaalsContact O-NZ 3.09Å; Y531-K534 CarbonylContact O-C 3.59Å; Y531-K534 WeakPolarHBondContact O-CA 3.09Å; Y531-K534 WeakPolarHBondContact O-CB 3.35Å; Y531-K534 PolarHBondContact O-N 3.33Å; I532-K534 PolarHBondContact O-N 2.94Å; K534-M537 HydrophobicContact CB-CG 4.46Å; K534-M537 HydrophobicContact CB-SD 3.81Å; K534-M537 HydrophobicContact CG-SD 4.35Å; K534-M537 WeakPolarHBondContact O-CG 3.42Å; K534-M537 PolarHBondContact O-N 2.9Å
535L84.9Confident90.9Very high12 Ų1236.9 Ų36.96%0.06319%0.189CC..THydrogen-bonded Turntrans-68.1132.4172.4-62.3170.4000109.9L467 Y531 I532 F567 Q653L467-L535 HydrophobicContact CD1-CD1 3.45Å; L467-L535 VanDerWaalsContact CD1-CD1 3.45Å; L467-L535 HydrophobicContact CD1-CD2 4.38Å; L467-L535 HydrophobicContact CG-CD1 4.24Å; Y531-L535 HydrophobicContact CD2-CD1 4.15Å; Y531-L535 HydrophobicContact CD2-CD2 4.37Å; Y531-L535 HydrophobicContact CD2-CG 4.27Å; Y531-L535 HydrophobicContact CE2-CD1 4.24Å; Y531-L535 PolarHBondContact O-N 2.76Å; I532-L535 HydrophobicContact CD1-CD1 3.46Å; I532-L535 VanDerWaalsContact CD1-CD1 3.46Å; I532-L535 HydrophobicContact CG1-CD1 4.3Å; I532-L535 WeakPolarHBondContact O-CB 3.3Å; I532-L535 WeakPolarHBondContact O-CG 3.28Å; I532-L535 PolarHBondContact O-N 3.24Å; L535-F567 HydrophobicContact CD2-CD2 4.44Å; L535-F567 HydrophobicContact CD2-CE2 3.85Å; L535-F567 HydrophobicContact CD2-CZ 4Å; L535-Q653 HydrophobicContact CB-CB 4.18Å; L535-Q653 HydrophobicContact CB-CG 4.15Å
536G82.2Confident90.8Very high8 Ų833.3 Ų33.38%0.08216%0.164CC..THydrogen-bonded Turntrans86.16.7-175.800000115V538 R652G536-V538 PolarHBondContact O-N 3.07Å; G536-R652 PolarHBondContact O-NE 3.34Å; G536-R652 PolarHBondContact O-NH2 2.71Å
537M84.8Confident90.8Very high98 Ų9833.3 Ų33.348%0.48316%0.164SC..SBendtrans-53-34.6166.4-79.9179.874.800111.9T504 K534T504-M537 HydrophobicContact CG2-SD 3.87Å; K534-M537 HydrophobicContact CB-CG 4.46Å; K534-M537 HydrophobicContact CB-SD 3.81Å; K534-M537 HydrophobicContact CG-SD 4.35Å; K534-M537 WeakPolarHBondContact O-CG 3.42Å; K534-M537 PolarHBondContact O-N 2.9Å
538V85Confident90.8Very high19 Ų1929.5 Ų29.512%0.11514%0.144CC..SBendtrans-129.5154.9169.7-630000109.5K503 G536 D540 M542K503-V538 HydrophobicContact CD-CG1 3.94Å; K503-V538 HydrophobicContact CG-CG2 4.44Å; G536-V538 PolarHBondContact O-N 3.07Å; V538-D540 HydrophobicContact CG2-CB 4.39Å; V538-D540 PolarHBondContact O-N 3.44Å; V538-D540 VanDerWaalsContact O-N 3.1Å; V538-M542 HydrophobicContact CG2-CE 3.1Å; V538-M542 HydrophobicContact CG2-CG 4.46Å; V538-M542 HydrophobicContact CG2-SD 3.6Å
539D86.5Confident90.8Very high36 Ų3629.2 Ų29.219%0.19314%0.141CC..SBendtrans-85.645.6-178.7-16644.9000111.7G223 Y225 Y232 K655G223-D539 WeakPolarHBondContact O-CB 3.49Å; G223-D539 PolarHBondContact O-N 2.9Å; Y225-D539 HydrophobicContact CD2-CB 4.27Å; Y225-D539 VanDerWaalsContact CE2-O 3.22Å; Y225-D539 WeakPolarHBondContact CE2-O 3.29Å; Y232-D539 WeakPolarHBondContact CE1-O 3.33Å; Y232-D539 PolarHBondContact OH-OD1 3.19Å; Y232-D539 VanDerWaalsContact OH-OD1 3.1Å; Y232-D539 PolarHBondContact OH-OD2 3.4Å; D539-K655 IonicContact OD1-NZ 3.22Å; D539-K655 PolarHBondContact OD1-NZ 2.96Å
540D86.8Confident90.8Very high6 Ų626.8 Ų26.83%0.03212%0.124CC..SBendtrans-140.2170.5-176.5-149.8-19.6000112Y225 Q255 V538 M542Y225-D540 HydrophobicContact CE2-CB 4.42Å; Y225-D540 PolarHBondContact OH-OD2 2.78Å; Q255-D540 PolarHBondContact NE2-OD2 2.85Å; V538-D540 HydrophobicContact CG2-CB 4.39Å; V538-D540 PolarHBondContact O-N 3.44Å; V538-D540 VanDerWaalsContact O-N 3.1Å; D540-M542 HydrophobicContact CB-CE 4.48Å; D540-M542 PolarHBondContact O-N 3.11Å
541E85.4Confident90.8Very high32 Ų3224.6 Ų24.615%0.1512%0.115CC..  trans-65.9120.2176.9-175.775.5157.100110K165 Y569 K655K165-E541 IonicContact NZ-OE1 3.51Å; K165-E541 PolarHBondContact NZ-OE1 3.24Å; E541-Y569 PolarHBondContact OE2-OH 3.01Å; E541-K655 VanDerWaalsContact OE2-CB 3.3Å; E541-K655 WeakPolarHBondContact OE2-CB 3.31Å
542M88.9Confident90.7Very high8 Ų824.6 Ų24.64%0.03912%0.115CC..EExtended strand (participates in β ladder)trans-101.4148.3178.7-66.6-70.994.800111.2L495 Q496 T497 K503 V538 D540 F567L495-M542 HydrophobicContact CD1-CB 4.06Å; L495-M542 HydrophobicContact CD2-CG 4.33Å; L495-M542 HydrophobicContact CD2-SD 4.14Å; L495-M542 HydrophobicContact CG-CB 4.24Å; L495-M542 HydrophobicContact CG-CG 4.43Å; L495-M542 HydrophobicContact CG-SD 4.1Å; Q496-M542 CarbonylContact O-C 3.54Å; Q496-M542 WeakPolarHBondContact O-CA 3.31Å; T497-M542 HydrophobicContact CG2-CE 3.49Å; T497-M542 VanDerWaalsContact CG2-CE 3.49Å; K503-M542 HydrophobicContact CG-CE 4.32Å; K503-M542 HydrophobicContact CG-SD 4.02Å; V538-M542 HydrophobicContact CG2-CE 3.1Å; V538-M542 HydrophobicContact CG2-CG 4.46Å; V538-M542 HydrophobicContact CG2-SD 3.6Å; D540-M542 HydrophobicContact CB-CE 4.48Å; D540-M542 PolarHBondContact O-N 3.11Å; M542-F567 HydrophobicContact CB-CE2 4.39Å; M542-F567 VanDerWaalsContact O-CD2 3.31Å; M542-F567 WeakPolarHBondContact O-CD2 3.44Å
543V91.4Very high90.6Very high1 Ų127.7 Ų27.71%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-138.8156.3-179.5-42.10000109.5F160 N313 L495 Q496 T564F160-V543 HydrophobicContact CE1-CB 4.02Å; F160-V543 HydrophobicContact CE1-CG1 3.65Å; F160-V543 HydrophobicContact CZ-CB 4.08Å; F160-V543 HydrophobicContact CZ-CG1 3.37Å; N313-V543 WeakPolarHBondContact ND2-CG1 3.43Å; L495-V543 WeakPolarHBondContact CA-O 3.34Å; Q496-V543 HydrophobicContact CB-CG2 4.19Å; Q496-V543 PolarHBondContact N-O 3.26Å; Q496-V543 PolarHBondContact O-N 3.23Å; V543-T564 HydrophobicContact CB-CG2 4.13Å; V543-T564 HydrophobicContact CG2-CG2 3.91Å
544I93.8Very high90.4Very high0 Ų025.8 Ų25.80%013%0.134CC..EExtended strand (participates in β ladder)trans-98.5119.4172.3-62.9157.9000108V465 I471 L493 D494 L495 L506 Y531 T564 L565 F567V465-I544 HydrophobicContact CG1-CD1 3.82Å; I471-I544 HydrophobicContact CD1-CD1 3.58Å; I471-I544 HydrophobicContact CD1-CG1 4.47Å; I471-I544 HydrophobicContact CD1-CG2 4.41Å; I471-I544 HydrophobicContact CG1-CD1 3.86Å; L493-I544 HydrophobicContact CB-CG2 4.43Å; L493-I544 HydrophobicContact CD2-CG2 4.04Å; D494-I544 CarbonylContact O-C 3.59Å; D494-I544 WeakPolarHBondContact O-CA 3.07Å; L495-I544 HydrophobicContact CD1-CG1 4.26Å; L506-I544 HydrophobicContact CD1-CD1 4.48Å; L506-I544 HydrophobicContact CD1-CG1 3.91Å; L506-I544 HydrophobicContact CD1-CG2 4.04Å; Y531-I544 HydrophobicContact CD1-CD1 4.44Å; I544-T564 CarbonylContact O-C 3.53Å; I544-T564 WeakPolarHBondContact O-CA 3.39Å; I544-L565 HydrophobicContact CB-CB 4.15Å; I544-L565 HydrophobicContact CG2-CD1 4.33Å; I544-L565 PolarHBondContact N-O 2.89Å; I544-L565 PolarHBondContact O-N 2.9Å; I544-F567 HydrophobicContact CD1-CE1 3.7Å; I544-F567 HydrophobicContact CD1-CE2 4.49Å; I544-F567 HydrophobicContact CD1-CZ 3.54Å; I544-F567 HydrophobicContact CG1-CE1 4.4Å; I544-F567 HydrophobicContact CG1-CE2 4.35Å; I544-F567 HydrophobicContact CG1-CZ 3.75Å
545K94Very high90.3Very high13 Ų1326.5 Ų26.56%0.05715%0.146CC..EExtended strand (participates in β ladder)trans-101.4132.1171.5-17173.2-176.7-178.70109.2L493 D494 Q496 F547 D562 T564L493-K545 WeakPolarHBondContact CA-O 3.33Å; D494-K545 PolarHBondContact N-O 3.41Å; D494-K545 PolarHBondContact O-N 3.22Å; Q496-K545 HydrophobicContact CG-CB 3.85Å; K545-F547 HydrophobicContact CG-CE2 4.04Å; K545-D562 WeakPolarHBondContact CE-OD2 3.19Å; K545-D562 IonicContact NZ-OD2 3.67Å; K545-D562 PolarHBondContact NZ-OD2 3.24Å; K545-T564 VanDerWaalsContact CD-OG1 3.32Å; K545-T564 WeakPolarHBondContact CD-OG1 3.4Å; K545-T564 PolarHBondContact NZ-OG1 3.24Å
546G94.6Very high90.4Very high0 Ų027.7 Ų27.70%016%0.161CC..EExtended strand (participates in β ladder)trans-120.9137.2175.400000112.2S492 D562 T563S492-G546 VanDerWaalsContact O-CA 3.26Å; S492-G546 WeakPolarHBondContact O-CA 3.29Å; G546-D562 CarbonylContact O-C 3.48Å; G546-D562 WeakPolarHBondContact O-CA 3.3Å; G546-D562 WeakPolarHBondContact O-CB 3.48Å; G546-T563 PolarHBondContact N-O 2.84Å; G546-T563 PolarHBondContact O-N 3.14Å
547F95.9Very high90.7Very high10 Ų1029 Ų294%0.04417%0.166CC..EExtended strand (participates in β ladder)trans-115.6128165.6-75.4-79.9000108.9I294 L296 G300 T302 C491 S492 K545 D562I294-F547 HydrophobicContact CG2-CE1 3.68Å; I294-F547 HydrophobicContact CG2-CZ 3.68Å; L296-F547 HydrophobicContact CD1-CB 4Å; L296-F547 HydrophobicContact CD1-CD1 3.93Å; L296-F547 HydrophobicContact CD1-CG 4.15Å; L296-F547 HydrophobicContact CD2-CB 4.19Å; L296-F547 HydrophobicContact CD2-CD1 3.91Å; L296-F547 HydrophobicContact CD2-CD2 4.08Å; L296-F547 HydrophobicContact CD2-CE1 4.32Å; L296-F547 HydrophobicContact CD2-CE2 4.48Å; L296-F547 HydrophobicContact CD2-CG 3.78Å; G300-F547 VanDerWaalsContact O-CB 3.25Å; G300-F547 WeakPolarHBondContact O-CB 3.49Å; T302-F547 HydrophobicContact CG2-CD2 3.7Å; T302-F547 HydrophobicContact CG2-CE2 3.3Å; T302-F547 HydrophobicContact CG2-CZ 3.98Å; C491-F547 WeakPolarHBondContact CA-O 3.41Å; S492-F547 PolarHBondContact N-O 3.09Å; S492-F547 PolarHBondContact O-N 3.06Å; K545-F547 HydrophobicContact CG-CE2 4.04Å; F547-D562 HydrophobicContact CD1-CB 3.67Å; F547-D562 HydrophobicContact CE1-CB 3.56Å; F547-D562 HydrophobicContact CG-CB 4.44Å; F547-D562 HydrophobicContact CZ-CB 4.26Å
548I96.3Very high91Very high0 Ų026.2 Ų26.20%015%0.15CC..EExtended strand (participates in β ladder)trans-118.4124.9-175.6-5586.4000108.3I458 V460 I475 I489 S490 C491 A560 T561 T563I458-I548 HydrophobicContact CD1-CB 4.19Å; I458-I548 HydrophobicContact CD1-CG2 3.59Å; V460-I548 HydrophobicContact CG2-CD1 3.85Å; V460-I548 HydrophobicContact CG2-CG1 4.44Å; I475-I548 HydrophobicContact CD1-CG2 3.7Å; I475-I548 HydrophobicContact CG1-CG2 4.48Å; I489-I548 HydrophobicContact CG2-CG2 3.92Å; S490-I548 CarbonylContact O-C 3.55Å; S490-I548 WeakPolarHBondContact O-CA 3.46Å; C491-I548 HydrophobicContact CB-CG1 4.11Å; I548-A560 WeakPolarHBondContact O-CA 3.43Å; I548-A560 WeakPolarHBondContact O-CB 3.24Å; I548-T561 PolarHBondContact N-O 2.69Å; I548-T561 PolarHBondContact O-N 3.46Å; I548-T563 HydrophobicContact CD1-CG2 3.98Å
549I96.3Very high91.4Very high10 Ų1025.7 Ų25.75%0.05115%0.146CC..EExtended strand (participates in β ladder)trans-111.7130171.7-56.7178000107.7L296 L385 I398 I489 S490 V559 A560L296-I549 HydrophobicContact CB-CD1 4.43Å; L296-I549 HydrophobicContact CD1-CD1 4.2Å; L296-I549 HydrophobicContact CD1-CG1 4.29Å; L385-I549 HydrophobicContact CD1-CD1 3.87Å; I398-I549 HydrophobicContact CD1-CD1 4.1Å; I398-I549 HydrophobicContact CD1-CG1 4.12Å; I398-I549 HydrophobicContact CD1-CG2 4.4Å; I489-I549 WeakPolarHBondContact CA-O 3.1Å; S490-I549 PolarHBondContact N-O 3.13Å; S490-I549 PolarHBondContact O-N 2.83Å; I549-V559 WeakPolarHBondContact CA-O 3.28Å; I549-A560 HydrophobicContact CG1-CB 4.26Å
550A95.3Very high91.7Very high0 Ų024.2 Ų24.20%014%0.139CC..EExtended strand (participates in β ladder)trans-116.6130.7168.700000110L456 I458 L477 V487 N488 I489 R558 V559L456-A550 HydrophobicContact CD2-CB 4.27Å; I458-A550 HydrophobicContact CD1-CB 3.97Å; L477-A550 HydrophobicContact CD2-CB 3.94Å; V487-A550 HydrophobicContact CG1-CB 3.98Å; N488-A550 CarbonylContact O-C 3.53Å; N488-A550 WeakPolarHBondContact O-CA 3.43Å; I489-A550 HydrophobicContact CG1-CB 4.48Å; A550-R558 WeakPolarHBondContact O-CA 3.46Å; A550-V559 HydrophobicContact CB-CG2 3.93Å; A550-V559 PolarHBondContact N-O 3.05Å; A550-V559 PolarHBondContact O-N 3.33Å
551E93.9Very high92.1Very high47 Ų4724.8 Ų24.822%0.2214%0.143CC..EExtended strand (participates in β ladder)trans-122.8124.4179.7178169.2-151.600110.4V487 N488 V553 E557 R558V487-E551 CarbonylContact C-O 3.57Å; V487-E551 VanDerWaalsContact CA-O 3.27Å; V487-E551 WeakPolarHBondContact CA-O 3.47Å; N488-E551 HydrophobicContact CB-CB 4.46Å; N488-E551 PolarHBondContact N-O 3.26Å; N488-E551 PolarHBondContact O-N 2.87Å; E551-V553 PolarHBondContact O-N 3.18Å; E551-E557 WeakPolarHBondContact CA-O 3.48Å; E551-R558 HydrophobicContact CB-CG 3.96Å; E551-R558 VanDerWaalsContact CD-NH2 3.34Å; E551-R558 HydrophobicContact CG-CG 3.89Å; E551-R558 IonicContact OE1-CZ 3.89Å; E551-R558 IonicContact OE1-NE 3.95Å; E551-R558 PolarHBondContact OE1-NE 3.27Å; E551-R558 IonicContact OE1-NH2 2.75Å; E551-R558 PolarHBondContact OE1-NH2 3.22Å; E551-R558 IonicContact OE2-CZ 3.35Å; E551-R558 IonicContact OE2-NE 2.86Å; E551-R558 PolarHBondContact OE2-NE 2.87Å; E551-R558 IonicContact OE2-NH2 3.31Å; E551-R558 PolarHBondContact OE2-NH2 3.23Å
552I91.8Very high92.5Very high0 Ų024.4 Ų24.40%014%0.142CC..EExtended strand (participates in β ladder)trans-75.2119167.4-60.2177.4000107.8L456 Q485 V487 D554 S555 G556 E557L456-I552 HydrophobicContact CB-CD1 4.17Å; L456-I552 HydrophobicContact CD2-CD1 4.17Å; L456-I552 HydrophobicContact CD2-CG1 3.9Å; Q485-I552 HydrophobicContact CB-CG2 4.2Å; Q485-I552 HydrophobicContact CG-CG2 4.4Å; V487-I552 HydrophobicContact CG2-CG1 4.18Å; I552-D554 VanDerWaalsContact C-N 3.35Å; I552-D554 PolarHBondContact O-N 2.99Å; I552-S555 WeakPolarHBondContact CB-OG 3.39Å; I552-S555 WeakPolarHBondContact CG2-OG 3.45Å; I552-G556 WeakPolarHBondContact O-CA 3.34Å; I552-G556 PolarHBondContact O-N 3.39Å; I552-E557 HydrophobicContact CB-CB 4.49Å; I552-E557 HydrophobicContact CD1-CB 4.34Å; I552-E557 PolarHBondContact N-O 3.46Å
553V91.8Very high92.6Very high67 Ų6724.5 Ų24.541%0.40614%0.143SC..THydrogen-bonded Turntrans-61.1-42.8-172.9176.10000112N486 E551N486-V553 HydrophobicContact CB-CB 4.14Å; N486-V553 HydrophobicContact CB-CG2 3.91Å; N486-V553 WeakPolarHBondContact O-CG2 3.49Å; N486-V553 PolarHBondContact O-N 3.25Å; E551-V553 PolarHBondContact O-N 3.18Å
554D87.6Confident92.6Very high118 Ų11825.1 Ų25.163%0.63115%0.147SC*.THydrogen-bonded Turntrans-74.4-35.1-172.3-55.9-35.3000113.1I552I552-D554 VanDerWaalsContact C-N 3.35Å; I552-D554 PolarHBondContact O-N 2.99Å
555S88.1Confident92.5Very high71 Ų7125.2 Ų25.250%0.49715%0.147SC..THydrogen-bonded Turntrans-100.1-17.6-176.765.20000113.6I552 E557I552-S555 WeakPolarHBondContact CB-OG 3.39Å; I552-S555 WeakPolarHBondContact CG2-OG 3.45Å; S555-E557 PolarHBondContact O-N 2.87Å; S555-E557 WeakPolarHBondContact OG-CB 3.42Å; S555-E557 PolarHBondContact OG-N 2.86Å
556G87.9Confident92.2Very high37 Ų3724.6 Ų24.638%0.38115%0.145SC..  trans66.611.9-169.400000113.6I552 R558I552-G556 WeakPolarHBondContact O-CA 3.34Å; I552-G556 PolarHBondContact O-N 3.39Å; G556-R558 PolarHBondContact O-N 2.78Å
557E89.1Confident92Very high37 Ų3724.7 Ų24.717%0.17315%0.145CC..  trans-65.5126.6175.2-176.5178.9171.500109.3R454 T455 L456 E551 I552 S555R454-E557 WeakPolarHBondContact CA-OE1 3.12Å; R454-E557 WeakPolarHBondContact CB-OE1 3.23Å; T455-E557 PolarHBondContact N-OE1 2.88Å; T455-E557 PolarHBondContact OG1-OE2 2.77Å; L456-E557 PolarHBondContact N-OE1 2.84Å; E551-E557 WeakPolarHBondContact CA-O 3.48Å; I552-E557 HydrophobicContact CB-CB 4.49Å; I552-E557 HydrophobicContact CD1-CB 4.34Å; I552-E557 PolarHBondContact N-O 3.46Å; S555-E557 PolarHBondContact O-N 2.87Å; S555-E557 WeakPolarHBondContact OG-CB 3.42Å; S555-E557 PolarHBondContact OG-N 2.86Å
558R90.7Very high91.6Very high39 Ų3926.5 Ų26.515%0.14716%0.155CC..EExtended strand (participates in β ladder)trans-118.6137.4-179.2-64.5179.7-172.3-170.9-7.9110.9E298 I398 A550 E551 G556E298-R558 IonicContact OE1-NH1 3.59Å; E298-R558 PolarHBondContact OE1-NH1 3.44Å; I398-R558 HydrophobicContact CB-CB 4.49Å; I398-R558 HydrophobicContact CG2-CB 3.99Å; A550-R558 WeakPolarHBondContact O-CA 3.46Å; E551-R558 HydrophobicContact CB-CG 3.96Å; E551-R558 VanDerWaalsContact CD-NH2 3.34Å; E551-R558 HydrophobicContact CG-CG 3.89Å; E551-R558 IonicContact OE1-CZ 3.89Å; E551-R558 IonicContact OE1-NE 3.95Å; E551-R558 PolarHBondContact OE1-NE 3.27Å; E551-R558 IonicContact OE1-NH2 2.75Å; E551-R558 PolarHBondContact OE1-NH2 3.22Å; E551-R558 IonicContact OE2-CZ 3.35Å; E551-R558 IonicContact OE2-NE 2.86Å; E551-R558 PolarHBondContact OE2-NE 2.87Å; E551-R558 IonicContact OE2-NH2 3.31Å; E551-R558 PolarHBondContact OE2-NH2 3.23Å; G556-R558 PolarHBondContact O-N 2.78Å
559V92.4Very high91Very high7 Ų728.7 Ų28.74%0.04216%0.163CC..EExtended strand (participates in β ladder)trans-128.8152.6169-620000109.8L456 I458 I549 A550L456-V559 HydrophobicContact CB-CG1 4.14Å; L456-V559 HydrophobicContact CB-CG2 4.5Å; L456-V559 HydrophobicContact CD2-CG2 3.63Å; L456-V559 HydrophobicContact CG-CG1 4.4Å; L456-V559 HydrophobicContact CG-CG2 3.86Å; L456-V559 WeakPolarHBondContact O-CG1 3.46Å; I458-V559 HydrophobicContact CB-CG2 3.91Å; I458-V559 HydrophobicContact CG2-CB 4.08Å; I458-V559 HydrophobicContact CG2-CG2 3.69Å; I549-V559 WeakPolarHBondContact CA-O 3.28Å; A550-V559 HydrophobicContact CB-CG2 3.93Å; A550-V559 PolarHBondContact N-O 3.05Å; A550-V559 PolarHBondContact O-N 3.33Å
560A94.5Very high90.2Very high6 Ų631.2 Ų31.25%0.0518%0.182CC..EExtended strand (participates in β ladder)trans-137.115817300000112.2I383 I398 A399 I548 I549I383-A560 HydrophobicContact CD1-CB 4.35Å; I383-A560 HydrophobicContact CG2-CB 3.99Å; I398-A560 HydrophobicContact CD1-CB 3.54Å; I398-A560 HydrophobicContact CG1-CB 4.03Å; I398-A560 PolarHBondContact O-N 3.24Å; A399-A560 HydrophobicContact CB-CB 4.4Å; A399-A560 VanDerWaalsContact CB-O 3.28Å; A399-A560 WeakPolarHBondContact CB-O 3.42Å; I548-A560 WeakPolarHBondContact O-CA 3.43Å; I548-A560 WeakPolarHBondContact O-CB 3.24Å; I549-A560 HydrophobicContact CG1-CB 4.26Å
561T94Very high89.4Confident18 Ų1835.5 Ų35.511%0.1122%0.218CC..EExtended strand (participates in β ladder)trans-150.8168.6166.2-167.40000108.9E401 I458 V460 I548E401-T561 PolarHBondContact OE1-OG1 3.25Å; I458-T561 HydrophobicContact CB-CG2 4.47Å; I458-T561 HydrophobicContact CD1-CG2 4.22Å; I458-T561 HydrophobicContact CG1-CG2 3.96Å; I458-T561 HydrophobicContact CG2-CG2 3.88Å; V460-T561 HydrophobicContact CG2-CG2 4.08Å; I548-T561 PolarHBondContact N-O 2.69Å; I548-T561 PolarHBondContact O-N 3.46Å
562D93.2Very high89.1Confident24 Ų2434.2 Ų34.213%0.12821%0.211CC..EExtended strand (participates in β ladder)trans-118.2159.7173.768.2-36.5000112K381 K545 G546 F547K381-D562 IonicContact NZ-OD1 2.69Å; K381-D562 PolarHBondContact NZ-OD1 2.85Å; K381-D562 IonicContact NZ-OD2 2.6Å; K381-D562 PolarHBondContact NZ-OD2 2.9Å; K545-D562 WeakPolarHBondContact CE-OD2 3.19Å; K545-D562 IonicContact NZ-OD2 3.67Å; K545-D562 PolarHBondContact NZ-OD2 3.24Å; G546-D562 CarbonylContact O-C 3.48Å; G546-D562 WeakPolarHBondContact O-CA 3.3Å; G546-D562 WeakPolarHBondContact O-CB 3.48Å; F547-D562 HydrophobicContact CD1-CB 3.67Å; F547-D562 HydrophobicContact CE1-CB 3.56Å; F547-D562 HydrophobicContact CG-CB 4.44Å; F547-D562 HydrophobicContact CZ-CB 4.26Å
563T91.9Very high88.9Confident9 Ų937.1 Ų37.16%0.05523%0.232CC..EExtended strand (participates in β ladder)trans-138.9150.2170.5-171.80000109.6V460 Q462 L473 G546 I548V460-T563 HydrophobicContact CG1-CG2 4.25Å; Q462-T563 PolarHBondContact O-OG1 2.83Å; L473-T563 HydrophobicContact CD2-CG2 4.39Å; G546-T563 PolarHBondContact N-O 2.84Å; G546-T563 PolarHBondContact O-N 3.14Å; I548-T563 HydrophobicContact CD1-CG2 3.98Å
564T91.5Very high88.9Confident15 Ų1535.6 Ų35.69%0.09222%0.222CC..EExtended strand (participates in β ladder)trans-122.8123170.4-52.60000107.6F160 V543 I544 K545F160-T564 HydrophobicContact CD1-CG2 3.74Å; F160-T564 HydrophobicContact CE1-CG2 3.52Å; V543-T564 HydrophobicContact CB-CG2 4.13Å; V543-T564 HydrophobicContact CG2-CG2 3.91Å; I544-T564 CarbonylContact O-C 3.53Å; I544-T564 WeakPolarHBondContact O-CA 3.39Å; K545-T564 VanDerWaalsContact CD-OG1 3.32Å; K545-T564 WeakPolarHBondContact CD-OG1 3.4Å; K545-T564 PolarHBondContact NZ-OG1 3.24Å
565L91.4Very high89.2Confident2 Ų236 Ų361%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-104126.6174.5-46.5174.3000109.6Q462 V465 I471 L473 I544Q462-L565 HydrophobicContact CB-CD2 4.19Å; Q462-L565 WeakPolarHBondContact O-CD2 3.48Å; V465-L565 HydrophobicContact CG1-CB 4.39Å; I471-L565 HydrophobicContact CG2-CD1 3.5Å; I471-L565 VanDerWaalsContact CG2-CD1 3.5Å; L473-L565 HydrophobicContact CD2-CD1 3.87Å; L473-L565 HydrophobicContact CD2-CD2 3.94Å; L473-L565 HydrophobicContact CD2-CG 4.36Å; I544-L565 HydrophobicContact CB-CB 4.15Å; I544-L565 HydrophobicContact CG2-CD1 4.33Å; I544-L565 PolarHBondContact N-O 2.89Å; I544-L565 PolarHBondContact O-N 2.9Å
566C88.9Confident89.4Confident0 Ų033.3 Ų33.30%020%0.2CC..EExtended strand (participates in β ladder)trans-93.6150.7173.165.50000112.4F160 Q163 N463 S464 V465F160-C566 HydrophobicContact CD1-CB 4.49Å; F160-C566 HydrophobicContact CD2-CB 3.29Å; F160-C566 HydrophobicContact CE1-CB 4.17Å; F160-C566 HydrophobicContact CE2-CB 3.01Å; F160-C566 HydrophobicContact CG-CB 4.1Å; F160-C566 HydrophobicContact CZ-CB 3.48Å; F160-C566 VanDerWaalsContact CZ-CB 3.48Å; Q163-C566 PolarHBondContact OE1-SG 3.18Å; N463-C566 PolarHBondContact O-N 3.12Å; N463-C566 PolarHBondContact O-SG 2.92Å; S464-C566 CarbonylContact C-O 3.48Å; S464-C566 VanDerWaalsContact CA-O 3.27Å; S464-C566 WeakPolarHBondContact CA-O 3.27Å; S464-C566 VanDerWaalsContact CB-SG 3.59Å; V465-C566 PolarHBondContact N-O 2.99Å
567F89.5Confident89.6Confident1 Ų133.9 Ų33.90%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-79.7129.2173.4-66.7-66.8000111.4V465 L467 L495 Y531 L535 M542 I544 Y569V465-F567 HydrophobicContact CG1-CD1 3.54Å; V465-F567 HydrophobicContact CG1-CE1 3.61Å; V465-F567 HydrophobicContact CG1-CG 4.49Å; V465-F567 CarbonylContact O-C 3.53Å; V465-F567 WeakPolarHBondContact O-CA 3.24Å; L467-F567 HydrophobicContact CD1-CB 3.98Å; L467-F567 HydrophobicContact CD1-CD1 3.36Å; L467-F567 HydrophobicContact CD1-CD2 4.36Å; L467-F567 HydrophobicContact CD1-CE1 3.9Å; L467-F567 HydrophobicContact CD1-CG 3.64Å; L495-F567 HydrophobicContact CD1-CE2 4.08Å; L495-F567 HydrophobicContact CD1-CZ 4.21Å; Y531-F567 AromaticContact CD2-CE1 3.58Å; Y531-F567 HydrophobicContact CD2-CE1 3.58Å; Y531-F567 AromaticContact CD2-CZ 3.7Å; Y531-F567 HydrophobicContact CD2-CZ 3.7Å; Y531-F567 HydrophobicContact CE1-CE1 4.49Å; Y531-F567 HydrophobicContact CE2-CD1 4.27Å; Y531-F567 AromaticContact CE2-CE1 3.42Å; Y531-F567 HydrophobicContact CE2-CE1 3.42Å; Y531-F567 VanDerWaalsContact CE2-CE1 3.42Å; Y531-F567 HydrophobicContact CE2-CZ 4.04Å; Y531-F567 HydrophobicContact CG-CE1 4.25Å; Y531-F567 HydrophobicContact CG-CZ 4.23Å; Y531-F567 AromaticContact CZ-CE1 3.9Å; L535-F567 HydrophobicContact CD2-CD2 4.44Å; L535-F567 HydrophobicContact CD2-CE2 3.85Å; L535-F567 HydrophobicContact CD2-CZ 4Å; M542-F567 HydrophobicContact CB-CE2 4.39Å; M542-F567 VanDerWaalsContact O-CD2 3.31Å; M542-F567 WeakPolarHBondContact O-CD2 3.44Å; I544-F567 HydrophobicContact CD1-CE1 3.7Å; I544-F567 HydrophobicContact CD1-CE2 4.49Å; I544-F567 HydrophobicContact CD1-CZ 3.54Å; I544-F567 HydrophobicContact CG1-CE1 4.4Å; I544-F567 HydrophobicContact CG1-CE2 4.35Å; I544-F567 HydrophobicContact CG1-CZ 3.75Å; F567-Y569 HydrophobicContact CB-CE1 4.08Å
568L87Confident89.7Confident49 Ų4936.1 Ų36.126%0.25722%0.217SC..EExtended strand (participates in β ladder)trans-89.4129.1166.4-49.8-175.1000109.1Q163 V465 E466 L467Q163-L568 VanDerWaalsContact CD-CD2 3.42Å; V465-L568 PolarHBondContact O-N 3.31Å; E466-L568 HydrophobicContact CG-CB 4.28Å; E466-L568 HydrophobicContact CG-CD1 4.01Å; L467-L568 WeakPolarHBondContact CB-O 3.32Å; L467-L568 PolarHBondContact N-O 3.07Å
569Y83.3Confident89.8Confident45 Ų4538.1 Ų38.118%0.17623%0.234CC..PPolyproline II helixtrans-103.5143.2179-54.1-69.1000110.5L467 E541 F567 A571 V654 K655 V657L467-Y569 HydrophobicContact CB-CD1 4.46Å; L467-Y569 HydrophobicContact CD2-CD1 3.71Å; L467-Y569 HydrophobicContact CD2-CE1 3.76Å; E541-Y569 PolarHBondContact OE2-OH 3.01Å; F567-Y569 HydrophobicContact CB-CE1 4.08Å; Y569-A571 PolarHBondContact O-N 3.11Å; Y569-V654 HydrophobicContact CD1-CB 4.11Å; Y569-V654 HydrophobicContact CD1-CG1 3.46Å; Y569-V654 VanDerWaalsContact CD1-CG1 3.46Å; Y569-V654 HydrophobicContact CD1-CG2 3.88Å; Y569-V654 HydrophobicContact CD2-CG1 4.41Å; Y569-V654 HydrophobicContact CE1-CB 4.09Å; Y569-V654 HydrophobicContact CE1-CG1 3.78Å; Y569-V654 HydrophobicContact CE1-CG2 4Å; Y569-V654 HydrophobicContact CG-CG1 3.82Å; Y569-K655 WeakPolarHBondContact CE2-O 3.45Å; Y569-V657 HydrophobicContact CD2-CG2 4.13Å; Y569-V657 HydrophobicContact CG-CG2 4.01Å
570S79.7Confident89.9Confident63 Ų6338.6 Ų38.644%0.44124%0.237SC..PPolyproline II helixtrans-61.2133168.6-560000110.2T595S570-T595 PolarHBondContact OG-OG1 3.47Å
571A78.9Confident89.8Confident91 Ų9142.9 Ų42.975%0.75226%0.255SS*.PPolyproline II helixtrans-66155.1172.900000111.2Y569Y569-A571 PolarHBondContact O-N 3.11Å
572F87.1Confident89.7Confident20 Ų2043.4 Ų43.49%0.08826%0.258CS..  trans-109155169.568.5-81.3000109.9V574 F592 F605 V647 F649 V657 A659F572-V574 HydrophobicContact CD2-CG2 3.44Å; F572-V574 VanDerWaalsContact CD2-CG2 3.44Å; F572-V574 HydrophobicContact CE2-CG2 3.06Å; F572-V574 HydrophobicContact CZ-CG2 3.97Å; F572-F592 HydrophobicContact CB-CB 4.2Å; F572-F592 HydrophobicContact CB-CD2 3.95Å; F572-F605 HydrophobicContact CD2-CD1 4.44Å; F572-F605 AromaticContact CD2-CE1 3.7Å; F572-F605 HydrophobicContact CD2-CE1 3.7Å; F572-F605 HydrophobicContact CE2-CD1 4.12Å; F572-F605 AromaticContact CE2-CE1 3.81Å; F572-F605 HydrophobicContact CE2-CE1 3.81Å; F572-F605 HydrophobicContact CG-CE1 4.14Å; F572-F605 HydrophobicContact CZ-CE1 4.4Å; F572-V647 HydrophobicContact CE2-CB 4.37Å; F572-V647 HydrophobicContact CE2-CG1 3.82Å; F572-V647 HydrophobicContact CZ-CB 4.34Å; F572-V647 HydrophobicContact CZ-CG1 4.08Å; F572-F649 HydrophobicContact CD1-CB 3.99Å; F572-F649 HydrophobicContact CE1-CB 3.79Å; F572-F649 HydrophobicContact CZ-CB 4.21Å; F572-V657 HydrophobicContact CD1-CB 4.21Å; F572-V657 HydrophobicContact CD1-CG1 3.64Å; F572-V657 HydrophobicContact CE1-CB 4.14Å; F572-V657 HydrophobicContact CE1-CG1 3.78Å; F572-A659 HydrophobicContact CE2-CB 4.44Å; F572-A659 HydrophobicContact CZ-CB 4.06Å
573S89.3Confident89.6Confident61 Ų6147.6 Ų47.643%0.42728%0.28SS..EExtended strand (participates in β ladder)trans-90.3137.5178.3-175.40000110.6C590 N591S573-C590 WeakPolarHBondContact O-CA 3.31Å; S573-N591 PolarHBondContact N-O 2.82Å; S573-N591 PolarHBondContact O-N 2.93Å
574V91.7Very high89.5Confident34 Ų3451.9 Ų51.921%0.20630%0.3CS..EExtended strand (participates in β ladder)trans-131.5123.2176.8177.50000109.5F572 M576 I588 T589 V647 A659F572-V574 HydrophobicContact CD2-CG2 3.44Å; F572-V574 VanDerWaalsContact CD2-CG2 3.44Å; F572-V574 HydrophobicContact CE2-CG2 3.06Å; F572-V574 HydrophobicContact CZ-CG2 3.97Å; V574-M576 HydrophobicContact CG1-CG 3.74Å; V574-M576 HydrophobicContact CG1-SD 3.93Å; V574-I588 HydrophobicContact CG1-CG2 3.93Å; V574-T589 WeakPolarHBondContact CA-O 3.35Å; V574-V647 HydrophobicContact CG1-CB 4.47Å; V574-V647 HydrophobicContact CG1-CG2 3.9Å; V574-V647 HydrophobicContact CG2-CB 4.23Å; V574-V647 HydrophobicContact CG2-CG1 4.19Å; V574-A659 HydrophobicContact CB-CB 4.19Å; V574-A659 HydrophobicContact CG2-CB 3.75Å
575E93.2Very high89.4Confident127 Ų12755.4 Ų55.459%0.59332%0.323SS*.EExtended strand (participates in β ladder)trans-111.7126.1172.5-65.6177.2-170.100109.5T589E575-T589 PolarHBondContact N-O 2.88Å; E575-T589 PolarHBondContact O-N 3.37Å
576M91.8Very high89.4Confident15 Ų1555.4 Ų55.47%0.07432%0.323CS..  trans-139.2153177-54.3178.953.700109.6V574 L586 I588 F645 V647 K661 V663V574-M576 HydrophobicContact CG1-CG 3.74Å; V574-M576 HydrophobicContact CG1-SD 3.93Å; M576-L586 HydrophobicContact CE-CD2 4.06Å; M576-I588 HydrophobicContact CE-CD1 3.47Å; M576-I588 VanDerWaalsContact CE-CD1 3.47Å; M576-I588 HydrophobicContact CE-CG1 3.71Å; M576-I588 HydrophobicContact CG-CB 4.18Å; M576-I588 HydrophobicContact CG-CD1 4.45Å; M576-I588 HydrophobicContact CG-CG1 3.87Å; M576-I588 HydrophobicContact CG-CG2 3.75Å; M576-I588 HydrophobicContact SD-CD1 4Å; M576-I588 HydrophobicContact SD-CG1 4.08Å; M576-I588 HydrophobicContact SD-CG2 4.12Å; M576-F645 HydrophobicContact CE-CB 3.37Å; M576-F645 HydrophobicContact CE-CD1 3.64Å; M576-F645 HydrophobicContact CE-CD2 4.06Å; M576-F645 HydrophobicContact CE-CE1 4.41Å; M576-F645 HydrophobicContact CE-CG 3.42Å; M576-F645 VanDerWaalsContact CE-CG 3.42Å; M576-F645 HydrophobicContact SD-CB 4.11Å; M576-V647 HydrophobicContact SD-CG2 4.02Å; M576-K661 HydrophobicContact CB-CD 3.97Å; M576-K661 WeakPolarHBondContact O-CE 3.33Å; M576-K661 PolarHBondContact O-NZ 3.44Å; M576-K661 HydrophobicContact SD-CB 4Å; M576-V663 HydrophobicContact CE-CG2 3.98Å
577P91.9Very high89.6Confident49 Ų4957.7 Ų57.732%0.31834%0.337SS..  trans-64.7155.5171.828.3-35.1000111.5L586 T587 V663P577-L586 HydrophobicContact CG-CD1 4.14Å; P577-L586 HydrophobicContact CG-CD2 4.15Å; P577-L586 HydrophobicContact CG-CG 3.75Å; P577-T587 WeakPolarHBondContact CD-O 3.4Å; P577-V663 WeakPolarHBondContact O-CG2 3.32Å
578S92.6Very high89.7Confident83 Ų8357.7 Ų57.758%0.5834%0.337SS*.SBendtrans-80.6-22.7172.349.60000112.7L664S578-L664 PolarHBondContact O-N 2.94Å
579T92.6Very high90Very high82 Ų8256.8 Ų56.850%0.50333%0.333SS..EExtended strand (participates in β ladder)trans-136.6147.4-178.458.80000111.4L664T579-L664 CarbonylContact C-O 3.57Å; T579-L664 VanDerWaalsContact CA-O 3.28Å; T579-L664 WeakPolarHBondContact CA-O 3.4Å; T579-L664 HydrophobicContact CG2-CB 4.3Å
580S93.1Very high90.5Very high16 Ų1654.6 Ų54.611%0.11233%0.325CS..EExtended strand (participates in β ladder)trans-149.4176.6170.8-1760000110.9L664 I665 T666S580-L664 PolarHBondContact N-O 3.5Å; S580-I665 CarbonylContact O-C 3.54Å; S580-I665 WeakPolarHBondContact O-CA 2.86Å; S580-T666 PolarHBondContact O-N 3.44Å; S580-T666 PolarHBondContact O-OG1 3.41Å
581K92.9Very high91.1Very high96 Ų9654.6 Ų54.642%0.41732%0.32SS..EExtended strand (participates in β ladder)trans-115.9150.5-180-68.9-174.8177.9-177.60111.9N583 Q584 T666K581-N583 PolarHBondContact O-N 2.82Å; K581-Q584 HydrophobicContact CB-CB 4.14Å; K581-Q584 HydrophobicContact CB-CG 3.83Å; K581-Q584 PolarHBondContact O-N 2.82Å; K581-T666 CarbonylContact C-O 3.54Å; K581-T666 WeakPolarHBondContact CA-O 3.22Å; K581-T666 WeakPolarHBondContact CG-OG1 3.48Å
582V92.3Very high91.7Very high29 Ų2950.8 Ų50.818%0.17629%0.286CS..THydrogen-bonded Turntrans-57.3137.2172171.30000110.1Q584 P637 T640 I665 T666V582-Q584 PolarHBondContact O-N 2.95Å; V582-P637 CarbonylContact C-O 3.53Å; V582-P637 WeakPolarHBondContact CA-O 3.49Å; V582-T640 HydrophobicContact CG2-CG2 3.5Å; V582-I665 HydrophobicContact CG2-CG2 3.66Å; V582-T666 PolarHBondContact N-O 3.01Å
583N90.4Very high91.9Very high113 Ų11355.2 Ų55.260%0.60431%0.306SS*.THydrogen-bonded Turntrans60.418.5-179.8-57.7-35.7000114.9K581 P637K581-N583 PolarHBondContact O-N 2.82Å; N583-P637 PolarHBondContact N-O 3.49Å
584Q90.4Very high92.1Very high99 Ų9952.4 Ų52.446%0.46329%0.285SS..SBendtrans-108.6144.9171.3-64.3-162.9-9.500111.6K581 V582 L586 P637K581-Q584 HydrophobicContact CB-CB 4.14Å; K581-Q584 HydrophobicContact CB-CG 3.83Å; K581-Q584 PolarHBondContact O-N 2.82Å; V582-Q584 PolarHBondContact O-N 2.95Å; Q584-L586 PolarHBondContact O-N 2.89Å; Q584-P637 WeakPolarHBondContact O-CD 3.45Å
585P89.9Confident92Very high88 Ų8854.6 Ų54.657%0.57130%0.299SS*.  trans-60.2133.5173.9-22.533.8000112.2
586L91.3Very high91.9Very high2 Ų249 Ų491%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-113.4121.6170.6-176.1162000107.9M576 P577 Q584 I588 E634 C635 F645 V663M576-L586 HydrophobicContact CE-CD2 4.06Å; P577-L586 HydrophobicContact CG-CD1 4.14Å; P577-L586 HydrophobicContact CG-CD2 4.15Å; P577-L586 HydrophobicContact CG-CG 3.75Å; Q584-L586 PolarHBondContact O-N 2.89Å; L586-I588 HydrophobicContact CD2-CD1 4.01Å; L586-I588 HydrophobicContact CD2-CG1 3.48Å; L586-I588 VanDerWaalsContact CD2-CG1 3.48Å; L586-E634 WeakPolarHBondContact O-CA 3.47Å; L586-C635 PolarHBondContact N-O 2.64Å; L586-C635 PolarHBondContact O-N 3.08Å; L586-F645 HydrophobicContact CD1-CE1 4.21Å; L586-F645 HydrophobicContact CD1-CE2 4.35Å; L586-F645 HydrophobicContact CD1-CZ 3.84Å; L586-V663 HydrophobicContact CD1-CB 4.49Å; L586-V663 HydrophobicContact CD1-CG1 3.92Å; L586-V663 HydrophobicContact CD1-CG2 4.37Å
587T91.9Very high91.9Very high49 Ų4951.7 Ų51.730%0.30129%0.292SS..EExtended strand (participates in β ladder)trans-96.5133.3179.6-48.60000111.1P577 Q632 E634P577-T587 WeakPolarHBondContact CD-O 3.4Å; T587-Q632 HydrophobicContact CG2-CB 3.9Å; T587-Q632 HydrophobicContact CG2-CG 3.96Å; T587-E634 HydrophobicContact CG2-CG 4.45Å
588I92.9Very high92Very high0 Ų049.9 Ų49.90%028%0.279CS..EExtended strand (participates in β ladder)trans-117.9120178.5-58.3176.5000107.1V574 M576 L586 V607 Q632 I633 F645 V647V574-I588 HydrophobicContact CG1-CG2 3.93Å; M576-I588 HydrophobicContact CE-CD1 3.47Å; M576-I588 VanDerWaalsContact CE-CD1 3.47Å; M576-I588 HydrophobicContact CE-CG1 3.71Å; M576-I588 HydrophobicContact CG-CB 4.18Å; M576-I588 HydrophobicContact CG-CD1 4.45Å; M576-I588 HydrophobicContact CG-CG1 3.87Å; M576-I588 HydrophobicContact CG-CG2 3.75Å; M576-I588 HydrophobicContact SD-CD1 4Å; M576-I588 HydrophobicContact SD-CG1 4.08Å; M576-I588 HydrophobicContact SD-CG2 4.12Å; L586-I588 HydrophobicContact CD2-CD1 4.01Å; L586-I588 HydrophobicContact CD2-CG1 3.48Å; L586-I588 VanDerWaalsContact CD2-CG1 3.48Å; I588-V607 HydrophobicContact CD1-CB 4.26Å; I588-V607 HydrophobicContact CD1-CG1 3.57Å; I588-V607 HydrophobicContact CD1-CG2 3.73Å; I588-Q632 CarbonylContact O-C 3.59Å; I588-Q632 VanDerWaalsContact O-CA 3.23Å; I588-Q632 WeakPolarHBondContact O-CA 3.43Å; I588-I633 HydrophobicContact CB-CB 4.43Å; I588-I633 WeakPolarHBondContact CB-O 3.41Å; I588-I633 PolarHBondContact N-O 2.84Å; I588-I633 PolarHBondContact O-N 2.86Å; I588-F645 HydrophobicContact CD1-CD1 4.32Å; I588-V647 HydrophobicContact CG2-CG2 4.11Å
589T93.6Very high92Very high30 Ų3048.8 Ų48.818%0.18427%0.27CS..EExtended strand (participates in β ladder)trans-99.6126.4177.8-55.20000109.3V574 E575 Q632V574-T589 WeakPolarHBondContact CA-O 3.35Å; E575-T589 PolarHBondContact N-O 2.88Å; E575-T589 PolarHBondContact O-N 3.37Å; T589-Q632 HydrophobicContact CG2-CG 4.38Å; T589-Q632 PolarHBondContact OG1-NE2 2.89Å
590C93.4Very high92.1Very high0 Ų045 Ų450%025%0.247CC..EExtended strand (participates in β ladder)trans-116.6135.6-179.1-66.50000110S573 N630 F631S573-C590 WeakPolarHBondContact O-CA 3.31Å; C590-N630 WeakPolarHBondContact O-CA 3.41Å; C590-F631 HydrophobicContact CB-CD2 4.33Å; C590-F631 HydrophobicContact CB-CE1 3.93Å; C590-F631 HydrophobicContact CB-CE2 3.63Å; C590-F631 HydrophobicContact CB-CZ 3.36Å; C590-F631 PolarHBondContact N-O 3.35Å; C590-F631 PolarHBondContact O-N 2.87Å
591N92.4Very high92Very high63 Ų6345.8 Ų45.834%0.33725%0.251SS..EExtended strand (participates in β ladder)trans-128127.1173-177.7-40.1000110.1S573 T628 I629S573-N591 PolarHBondContact N-O 2.82Å; S573-N591 PolarHBondContact O-N 2.93Å; N591-T628 WeakPolarHBondContact OD1-CG2 3.16Å; N591-I629 WeakPolarHBondContact CA-O 3.26Å
592F91.4Very high91.9Very high11 Ų1146 Ų465%0.04826%0.257CS..EExtended strand (participates in β ladder)trans-139.2136.2180172.5-101.6000111.4F572 N594 L600 F605 T628 I629 F649F572-F592 HydrophobicContact CB-CB 4.2Å; F572-F592 HydrophobicContact CB-CD2 3.95Å; F592-N594 HydrophobicContact CE1-CB 4.32Å; F592-L600 HydrophobicContact CE1-CD1 3.7Å; F592-L600 HydrophobicContact CZ-CD1 3.5Å; F592-F605 HydrophobicContact CB-CZ 3.79Å; F592-F605 HydrophobicContact CG-CZ 4.15Å; F592-T628 CarbonylContact O-C 3.54Å; F592-T628 WeakPolarHBondContact O-CA 3.43Å; F592-I629 HydrophobicContact CB-CD1 4.32Å; F592-I629 HydrophobicContact CB-CG1 3.95Å; F592-I629 HydrophobicContact CD1-CD1 4.05Å; F592-I629 HydrophobicContact CD1-CG1 4.04Å; F592-I629 PolarHBondContact N-O 3.38Å; F592-I629 WeakPolarHBondContact O-CG1 3.19Å; F592-I629 PolarHBondContact O-N 3.14Å; F592-F649 HydrophobicContact CD1-CE2 4.23Å; F592-F649 HydrophobicContact CD1-CZ 4.21Å; F592-F649 HydrophobicContact CD2-CE1 4.4Å; F592-F649 HydrophobicContact CD2-CZ 4.37Å; F592-F649 HydrophobicContact CE1-CE1 4.37Å; F592-F649 HydrophobicContact CE1-CE2 4.07Å; F592-F649 AromaticContact CE1-CZ 3.64Å; F592-F649 HydrophobicContact CE1-CZ 3.64Å; F592-F649 HydrophobicContact CE2-CD1 4.31Å; F592-F649 AromaticContact CE2-CE1 3.71Å; F592-F649 HydrophobicContact CE2-CE1 3.71Å; F592-F649 AromaticContact CE2-CZ 3.81Å; F592-F649 HydrophobicContact CE2-CZ 3.81Å; F592-F649 AromaticContact CZ-CE1 3.7Å; F592-F649 HydrophobicContact CZ-CE1 3.7Å; F592-F649 HydrophobicContact CZ-CE2 4.22Å; F592-F649 AromaticContact CZ-CZ 3.41Å; F592-F649 HydrophobicContact CZ-CZ 3.41Å; F592-F649 VanDerWaalsContact CZ-CZ 3.41Å
593K91.3Very high91.8Very high113 Ų11344.7 Ų44.749%0.49125%0.249SC..EExtended strand (participates in β ladder)trans-116.7125.9174.3-179.2177.8179.2-176.80110T595 T628K593-T595 HydrophobicContact CG-CG2 4.38Å; K593-T595 PolarHBondContact O-N 2.97Å; K593-T595 VanDerWaalsContact O-N 3.15Å; K593-T628 HydrophobicContact CB-CG2 4.43Å; K593-T628 WeakPolarHBondContact CG-OG1 3.38Å
594N92.5Very high91.8Very high1 Ų141.9 Ų41.91%0.00523%0.231CC..  trans-73.6104.9169.8-178.89.1000109.4F592 L596 I598 L600 V623 P624 G626 K627F592-N594 HydrophobicContact CE1-CB 4.32Å; N594-L596 WeakPolarHBondContact OD1-CB 3.29Å; N594-L596 PolarHBondContact OD1-N 2.84Å; N594-I598 PolarHBondContact ND2-O 3.38Å; N594-L600 HydrophobicContact CB-CD1 4.16Å; N594-V623 HydrophobicContact CB-CG1 3.74Å; N594-V623 PolarHBondContact ND2-O 3.24Å; N594-P624 PolarHBondContact ND2-O 3.07Å; N594-G626 WeakPolarHBondContact O-CA 3.31Å; N594-G626 PolarHBondContact O-N 3.01Å; N594-K627 PolarHBondContact N-O 3.26Å
595T90.3Very high91.8Very high80 Ų8037.2 Ų37.249%0.49121%0.209SC..  trans-88.6-3.2177.4550000113.5S570 K593S570-T595 PolarHBondContact OG-OG1 3.47Å; K593-T595 HydrophobicContact CG-CG2 4.38Å; K593-T595 PolarHBondContact O-N 2.97Å; K593-T595 VanDerWaalsContact O-N 3.15Å
596L91.8Very high91.7Very high11 Ų1133.2 Ų33.26%0.05818%0.183CC..SBendtrans-83.4154.3-176.4-54.8-178.3000111.7L467 I532 N594 I598 L600 P625 V654L467-L596 HydrophobicContact CB-CD2 4.13Å; L467-L596 HydrophobicContact CD2-CD1 3.51Å; L467-L596 HydrophobicContact CD2-CD2 3.81Å; L467-L596 HydrophobicContact CD2-CG 4.26Å; L467-L596 HydrophobicContact CG-CD1 4.16Å; L467-L596 HydrophobicContact CG-CD2 3.73Å; L467-L596 WeakPolarHBondContact O-CD2 3.11Å; I532-L596 HydrophobicContact CD1-CD2 4.41Å; N594-L596 WeakPolarHBondContact OD1-CB 3.29Å; N594-L596 PolarHBondContact OD1-N 2.84Å; L596-I598 HydrophobicContact CB-CG1 3.99Å; L596-I598 HydrophobicContact CD1-CG1 4.27Å; L596-I598 PolarHBondContact O-N 2.7Å; L596-L600 HydrophobicContact CD1-CD2 3.76Å; L596-L600 HydrophobicContact CD1-CG 4.47Å; L596-P625 WeakPolarHBondContact O-CB 3.16Å; L596-V654 HydrophobicContact CD1-CG2 4.39Å
597P91.5Very high91.5Very high70 Ų7033.1 Ų33.146%0.45518%0.183SC..SBendtrans-75.34.5173.833.3-37000113.2I532I532-P597 HydrophobicContact CG1-CG 3.99Å
598I93.1Very high91.1Very high12 Ų1232.1 Ų32.16%0.06218%0.175CC..SBendtrans-122.5152.4-179.760.4167.5000111I532 Y533 N594 L596 Q653I532-I598 HydrophobicContact CD1-CD1 4.21Å; I532-I598 HydrophobicContact CD1-CG1 4.4Å; I532-I598 HydrophobicContact CG1-CD1 4.08Å; I532-I598 HydrophobicContact CG1-CG1 4.18Å; I532-I598 HydrophobicContact CG1-CG2 4.11Å; I532-I598 WeakPolarHBondContact O-CD1 3.25Å; Y533-I598 HydrophobicContact CD1-CG2 3.61Å; Y533-I598 HydrophobicContact CE1-CG2 3.54Å; N594-I598 PolarHBondContact ND2-O 3.38Å; L596-I598 HydrophobicContact CB-CG1 3.99Å; L596-I598 HydrophobicContact CD1-CG1 4.27Å; L596-I598 PolarHBondContact O-N 2.7Å; I598-Q653 HydrophobicContact CD1-CG 3.98Å
599P93.7Very high90.6Very high60 Ų6032.9 Ų32.939%0.3918%0.18SC..  trans-65.1142.9170.427.8-34000110.9T622 V623P599-T622 HydrophobicContact CB-CG2 3.78Å; P599-V623 WeakPolarHBondContact CA-O 3.24Å
600L93.2Very high89.7Confident2 Ų232.9 Ų32.91%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-95.5128.4168.4-68.4178.5000108.9F592 N594 L596 I603 T622 V623 F649 Q653 V654F592-L600 HydrophobicContact CE1-CD1 3.7Å; F592-L600 HydrophobicContact CZ-CD1 3.5Å; N594-L600 HydrophobicContact CB-CD1 4.16Å; L596-L600 HydrophobicContact CD1-CD2 3.76Å; L596-L600 HydrophobicContact CD1-CG 4.47Å; L600-I603 HydrophobicContact CB-CD1 3.91Å; L600-I603 HydrophobicContact CB-CG1 4.25Å; L600-T622 CarbonylContact O-C 3.52Å; L600-T622 VanDerWaalsContact O-CA 3.28Å; L600-T622 WeakPolarHBondContact O-CA 3.17Å; L600-V623 PolarHBondContact N-O 3.2Å; L600-V623 PolarHBondContact O-N 3.22Å; L600-F649 HydrophobicContact CD1-CZ 4.2Å; L600-Q653 HydrophobicContact CD2-CB 3.78Å; L600-Q653 HydrophobicContact CD2-CG 4.38Å; L600-V654 HydrophobicContact CD2-CG2 3.94Å
601T92.9Very high88.8Confident32 Ų3233.5 Ų33.520%0.19619%0.185CC..EExtended strand (participates in β ladder)trans-116.9157.3-174.361.90000112.5I603 E621 T622 S651 R652 Q653T601-I603 VanDerWaalsContact C-N 3.34Å; T601-I603 PolarHBondContact O-N 3.26Å; T601-E621 CarbonylContact C-O 3.57Å; T601-E621 VanDerWaalsContact CA-O 3.29Å; T601-E621 WeakPolarHBondContact CA-O 3.39Å; T601-T622 HydrophobicContact CG2-CG2 4.3Å; T601-S651 WeakPolarHBondContact O-CB 2.95Å; T601-R652 PolarHBondContact O-N 3.13Å; T601-Q653 PolarHBondContact OG1-NE2 2.75Å
602N89.5Confident88Confident101 Ų10131.9 Ų31.954%0.5418%0.176SC..EExtended strand (participates in β ladder)trans51.252.1-177.3-63.2-9.2000112.1K604 E621N602-K604 PolarHBondContact O-N 3.13Å; N602-E621 PolarHBondContact N-O 3.05Å
603I90.4Very high86.8Confident2 Ų236.1 Ų36.11%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-74.1130.9-177.7-69.4167.1000109.2L600 T601 F605 W618 E619 Q620 V623 F649 I650L600-I603 HydrophobicContact CB-CD1 3.91Å; L600-I603 HydrophobicContact CB-CG1 4.25Å; T601-I603 VanDerWaalsContact C-N 3.34Å; T601-I603 PolarHBondContact O-N 3.26Å; I603-F605 HydrophobicContact CG2-CD2 3.94Å; I603-F605 HydrophobicContact CG2-CE2 3.76Å; I603-W618 HydrophobicContact CG2-CZ3 4.11Å; I603-E619 CarbonylContact O-C 3.59Å; I603-E619 VanDerWaalsContact O-CA 3.29Å; I603-E619 WeakPolarHBondContact O-CA 3.39Å; I603-Q620 WeakPolarHBondContact CA-O 3.39Å; I603-Q620 WeakPolarHBondContact CB-O 3.33Å; I603-Q620 PolarHBondContact N-O 2.88Å; I603-Q620 PolarHBondContact O-N 2.86Å; I603-V623 HydrophobicContact CD1-CB 3.44Å; I603-V623 VanDerWaalsContact CD1-CB 3.44Å; I603-V623 HydrophobicContact CD1-CG2 3.21Å; I603-F649 HydrophobicContact CG1-CE2 4.3Å; I603-F649 HydrophobicContact CG2-CD2 4.22Å; I603-F649 HydrophobicContact CG2-CE2 3.66Å; I603-I650 WeakPolarHBondContact CA-O 3.43Å
604K90Very high85.3Confident54 Ų5436.8 Ų36.824%0.23521%0.209CC..EExtended strand (participates in β ladder)trans-136.4129174.2176.5167.2-174.8148.50110.2N602 W618 E619 I650N602-K604 PolarHBondContact O-N 3.13Å; K604-W618 WeakPolarHBondContact CA-O 3.31Å; K604-E619 HydrophobicContact CB-CG 4.09Å; K604-E619 HydrophobicContact CD-CG 4.14Å; K604-E619 VanDerWaalsContact CD-OE1 3.31Å; K604-E619 WeakPolarHBondContact CD-OE1 3.24Å; K604-E619 WeakPolarHBondContact CE-OE1 3.34Å; K604-E619 HydrophobicContact CG-CG 3.9Å; K604-E619 IonicContact NZ-OE1 3.84Å; K604-E619 PolarHBondContact NZ-OE1 3.24Å; K604-I650 HydrophobicContact CB-CD1 4.05Å; K604-I650 HydrophobicContact CB-CG1 3.73Å; K604-I650 HydrophobicContact CD-CD1 4.2Å; K604-I650 HydrophobicContact CG-CD1 4.29Å; K604-I650 HydrophobicContact CG-CG1 4.32Å; K604-I650 PolarHBondContact N-O 2.77Å; K604-I650 WeakPolarHBondContact O-CG1 3.43Å; K604-I650 PolarHBondContact O-N 3.47Å
605F90.3Very high84.1Confident0 Ų041.2 Ų41.20%023%0.23CC..EExtended strand (participates in β ladder)trans-106.1139.4163.7-73.3-101.7000109.2F572 F592 I603 S617 W618 I629 F631 I633 K648 F649F572-F605 HydrophobicContact CD2-CD1 4.44Å; F572-F605 AromaticContact CD2-CE1 3.7Å; F572-F605 HydrophobicContact CD2-CE1 3.7Å; F572-F605 HydrophobicContact CE2-CD1 4.12Å; F572-F605 AromaticContact CE2-CE1 3.81Å; F572-F605 HydrophobicContact CE2-CE1 3.81Å; F572-F605 HydrophobicContact CG-CE1 4.14Å; F572-F605 HydrophobicContact CZ-CE1 4.4Å; F592-F605 HydrophobicContact CB-CZ 3.79Å; F592-F605 HydrophobicContact CG-CZ 4.15Å; I603-F605 HydrophobicContact CG2-CD2 3.94Å; I603-F605 HydrophobicContact CG2-CE2 3.76Å; F605-S617 CarbonylContact O-C 3.55Å; F605-S617 WeakPolarHBondContact O-CA 3.36Å; F605-S617 WeakPolarHBondContact O-CB 3.07Å; F605-W618 AromaticContact CD2-CE3 3.81Å; F605-W618 HydrophobicContact CD2-CE3 3.81Å; F605-W618 AromaticContact CD2-CZ3 4Å; F605-W618 HydrophobicContact CD2-CZ3 4Å; F605-W618 HydrophobicContact CE2-CE3 4.49Å; F605-W618 HydrophobicContact CE2-CZ3 4.25Å; F605-W618 PolarHBondContact N-O 2.89Å; F605-W618 PolarHBondContact O-N 3.06Å; F605-I629 HydrophobicContact CE2-CD1 3.89Å; F605-I629 HydrophobicContact CZ-CD1 4.5Å; F605-F631 HydrophobicContact CB-CE2 3.87Å; F605-F631 HydrophobicContact CB-CZ 3.75Å; F605-F631 HydrophobicContact CD1-CE2 4.46Å; F605-F631 AromaticContact CD1-CZ 3.69Å; F605-F631 HydrophobicContact CD1-CZ 3.69Å; F605-F631 AromaticContact CD2-CE1 3.78Å; F605-F631 HydrophobicContact CD2-CE1 3.78Å; F605-F631 HydrophobicContact CD2-CE2 4.15Å; F605-F631 AromaticContact CD2-CZ 3.24Å; F605-F631 HydrophobicContact CD2-CZ 3.24Å; F605-F631 AromaticContact CE1-CZ 3.98Å; F605-F631 HydrophobicContact CE1-CZ 3.98Å; F605-F631 AromaticContact CE2-CE1 3.68Å; F605-F631 HydrophobicContact CE2-CE1 3.68Å; F605-F631 AromaticContact CE2-CZ 3.57Å; F605-F631 HydrophobicContact CE2-CZ 3.57Å; F605-F631 HydrophobicContact CG-CE1 4.24Å; F605-F631 AromaticContact CG-CE2 3.95Å; F605-F631 HydrophobicContact CG-CE2 3.95Å; F605-F631 AromaticContact CG-CZ 3.29Å; F605-F631 HydrophobicContact CG-CZ 3.29Å; F605-F631 HydrophobicContact CZ-CE1 4.09Å; F605-F631 AromaticContact CZ-CZ 3.92Å; F605-F631 HydrophobicContact CZ-CZ 3.92Å; F605-I633 HydrophobicContact CB-CD1 3.96Å; F605-K648 CarbonylContact C-O 3.57Å; F605-K648 WeakPolarHBondContact CA-O 3.43Å; F605-F649 HydrophobicContact CD1-CB 3.94Å; F605-F649 HydrophobicContact CD1-CD2 4.24Å; F605-F649 AromaticContact CD2-CD2 3.87Å; F605-F649 HydrophobicContact CD2-CD2 3.87Å; F605-F649 HydrophobicContact CE1-CB 3.58Å; F605-F649 AromaticContact CE1-CD2 3.69Å; F605-F649 HydrophobicContact CE1-CD2 3.69Å; F605-F649 AromaticContact CE1-CG 3.95Å; F605-F649 HydrophobicContact CE1-CG 3.95Å; F605-F649 AromaticContact CE2-CD2 3.26Å; F605-F649 HydrophobicContact CE2-CD2 3.26Å; F605-F649 AromaticContact CE2-CE2 3.69Å; F605-F649 HydrophobicContact CE2-CE2 3.69Å; F605-F649 HydrophobicContact CE2-CG 4.31Å; F605-F649 HydrophobicContact CG-CD2 4.33Å; F605-F649 HydrophobicContact CZ-CB 3.99Å; F605-F649 AromaticContact CZ-CD2 3.15Å; F605-F649 HydrophobicContact CZ-CD2 3.15Å; F605-F649 AromaticContact CZ-CE2 3.79Å; F605-F649 HydrophobicContact CZ-CE2 3.79Å; F605-F649 AromaticContact CZ-CG 3.81Å; F605-F649 HydrophobicContact CZ-CG 3.81Å
606S87.8Confident83.3Confident4 Ų442.2 Ų42.23%0.02823%0.228CC..EExtended strand (participates in β ladder)trans-144.1152.3178.160.90000111.9M615 K616 V647 K648S606-M615 WeakPolarHBondContact OG-CE 3.39Å; S606-K616 WeakPolarHBondContact CA-O 3.42Å; S606-V647 CarbonylContact O-C 3.56Å; S606-V647 WeakPolarHBondContact O-CA 3.34Å; S606-K648 PolarHBondContact N-O 2.67Å; S606-K648 PolarHBondContact O-N 2.78Å
607V87.4Confident82.9Confident0 Ų044.5 Ų44.50%024%0.244CC..EExtended strand (participates in β ladder)trans-121.4129.2-178.1-178.50000109.3I588 L612 K616 I633 F645 I646 V647I588-V607 HydrophobicContact CD1-CB 4.26Å; I588-V607 HydrophobicContact CD1-CG1 3.57Å; I588-V607 HydrophobicContact CD1-CG2 3.73Å; V607-L612 HydrophobicContact CG1-CD1 4.34Å; V607-K616 PolarHBondContact N-O 3.12Å; V607-I633 HydrophobicContact CG2-CB 4.19Å; V607-I633 HydrophobicContact CG2-CD1 3.77Å; V607-I633 HydrophobicContact CG2-CG2 3.8Å; V607-F645 HydrophobicContact CG1-CD1 3.9Å; V607-I646 WeakPolarHBondContact CA-O 3.36Å; V607-V647 HydrophobicContact CG2-CG1 4.43Å; V607-V647 HydrophobicContact CG2-CG2 4.25Å
608E82.9Confident82.8Confident29 Ų2944.2 Ų44.214%0.13623%0.234CC..EExtended strand (participates in β ladder)trans-130.5137.6178.3-16516716200111.3A235 S236 I646A235-E608 VanDerWaalsContact C-OE1 3.3Å; A235-E608 VanDerWaalsContact CB-CD 3.45Å; A235-E608 WeakPolarHBondContact CB-OE2 3.02Å; S236-E608 WeakPolarHBondContact CB-OE1 2.9Å; S236-E608 PolarHBondContact N-OE1 2.82Å; E608-I646 PolarHBondContact N-O 3.17Å; E608-I646 PolarHBondContact O-N 2.84Å
609S83Confident82.7Confident16 Ų1649.1 Ų49.111%0.11226%0.257CS..  trans-165146.6176.51740000109.5L612 K644S609-L612 PolarHBondContact O-N 2.83Å; S609-K644 WeakPolarHBondContact CA-O 3.27Å; S609-K644 WeakPolarHBondContact CB-O 3.33Å; S609-K644 PolarHBondContact OG-O 2.81Å
610L75.5Confident82.5Confident30 Ų3049.5 Ų49.516%0.15725%0.254CS..THydrogen-bonded Turntrans-65.3134.6173.4-83.3176.2000110.9T153 T170 R643T153-L610 HydrophobicContact CG2-CD1 3.34Å; T153-L610 HydrophobicContact CG2-CG 4.26Å; T170-L610 HydrophobicContact CG2-CD1 4.12Å; T170-L610 HydrophobicContact CG2-CD2 3.29Å; T170-L610 HydrophobicContact CG2-CG 3.62Å; L610-R643 WeakPolarHBondContact O-CD 3.48Å
611G73.1Confident82.4Confident12 Ų1256.8 Ų56.812%0.12429%0.288CS..THydrogen-bonded Turntrans71.432.9-178.500000113.5P637 V638G611-P637 CarbonylContact O-C 3.44Å; G611-P637 WeakPolarHBondContact O-CA 3.42Å; G611-V638 WeakPolarHBondContact O-CG2 3.35Å; G611-V638 PolarHBondContact O-N 2.91Å
612L76.4Confident82.4Confident30 Ų3057.8 Ų57.816%0.15729%0.294CS..BIsolated β-bridgetrans-96.4145.3160.8-76.2-179.3000111V607 S609 N614 C635 P637 F645V607-L612 HydrophobicContact CG1-CD1 4.34Å; S609-L612 PolarHBondContact O-N 2.83Å; L612-N614 PolarHBondContact O-N 2.85Å; L612-C635 HydrophobicContact CD1-CB 4.28Å; L612-C635 HydrophobicContact CD2-CB 4.04Å; L612-P637 HydrophobicContact CD2-CB 4.2Å; L612-F645 HydrophobicContact CD1-CD1 4.23Å; L612-F645 HydrophobicContact CD1-CE1 3.87Å; L612-F645 HydrophobicContact CD2-CE1 3.78Å; L612-F645 HydrophobicContact CD2-CZ 4.07Å; L612-F645 HydrophobicContact CG-CE1 4.19Å
613N66.9Low82.6Confident99 Ų9953 Ų5353%0.52927%0.268SS..SBendtrans-82.6108.3166.6-112.41000110T636 V638N613-T636 PolarHBondContact N-O 2.87Å; N613-T636 VanDerWaalsContact N-O 3.1Å; N613-V638 HydrophobicContact CB-CG1 4.05Å
614N60.2Low82.9Confident128 Ų12856 Ų5668%0.68429%0.288SS*.SBendtrans61.5137.1179.1-58.4-39.7000115L612 K616L612-N614 PolarHBondContact O-N 2.85Å; N614-K616 PolarHBondContact O-N 3.2Å
615M65.4Low83.1Confident94 Ų9456.7 Ų56.746%0.46330%0.298SS..  trans-63.2132.4169.4-172178.8-169.100109S606S606-M615 WeakPolarHBondContact OG-CE 3.39Å
616K75.3Confident83.3Confident101 Ų10158.9 Ų58.944%0.43932%0.321SS..EExtended strand (participates in β ladder)trans-110130.9176.1-68.5-81.6-174.5176.10108.1S606 V607 N614 I633 E634S606-K616 WeakPolarHBondContact CA-O 3.42Å; V607-K616 PolarHBondContact N-O 3.12Å; N614-K616 PolarHBondContact O-N 3.2Å; K616-I633 HydrophobicContact CB-CG2 3.73Å; K616-E634 VanDerWaalsContact CG-O 3.27Å; K616-E634 WeakPolarHBondContact CG-O 3.36Å
617S82.9Confident83.6Confident58 Ų5864.8 Ų64.841%0.40635%0.346SS..EExtended strand (participates in β ladder)trans-126.4151.5175.455.30000111.1F605 E619F605-S617 CarbonylContact O-C 3.55Å; F605-S617 WeakPolarHBondContact O-CA 3.36Å; F605-S617 WeakPolarHBondContact O-CB 3.07Å; S617-E619 PolarHBondContact OG-OE1 2.88Å
618W88.5Confident83.9Confident64 Ų6468 Ų6824%0.24237%0.366CS..EExtended strand (participates in β ladder)trans-118.3134.5167.417995.2000107.4I603 K604 F605 Q620 I629 F631 I633I603-W618 HydrophobicContact CG2-CZ3 4.11Å; K604-W618 WeakPolarHBondContact CA-O 3.31Å; F605-W618 AromaticContact CD2-CE3 3.81Å; F605-W618 HydrophobicContact CD2-CE3 3.81Å; F605-W618 AromaticContact CD2-CZ3 4Å; F605-W618 HydrophobicContact CD2-CZ3 4Å; F605-W618 HydrophobicContact CE2-CE3 4.49Å; F605-W618 HydrophobicContact CE2-CZ3 4.25Å; F605-W618 PolarHBondContact N-O 2.89Å; F605-W618 PolarHBondContact O-N 3.06Å; W618-Q620 HydrophobicContact CH2-CB 3.52Å; W618-Q620 HydrophobicContact CH2-CG 4.38Å; W618-Q620 HydrophobicContact CZ2-CB 4.14Å; W618-Q620 HydrophobicContact CZ3-CB 3.77Å; W618-I629 HydrophobicContact CH2-CD1 3.71Å; W618-I629 HydrophobicContact CZ3-CD1 3.72Å; W618-F631 HydrophobicContact CB-CD2 3.76Å; W618-F631 HydrophobicContact CB-CE2 3.78Å; W618-F631 AromaticContact CD1-CD2 3.74Å; W618-F631 AromaticContact CD1-CG 3.99Å; W618-F631 HydrophobicContact CD2-CB 4.28Å; W618-F631 AromaticContact CD2-CD1 3.85Å; W618-F631 HydrophobicContact CD2-CD1 3.85Å; W618-F631 AromaticContact CD2-CD2 3.51Å; W618-F631 HydrophobicContact CD2-CD2 3.51Å; W618-F631 HydrophobicContact CD2-CE1 4.13Å; W618-F631 AromaticContact CD2-CE2 3.8Å; W618-F631 HydrophobicContact CD2-CE2 3.8Å; W618-F631 AromaticContact CD2-CG 3.57Å; W618-F631 HydrophobicContact CD2-CG 3.57Å; W618-F631 HydrophobicContact CD2-CZ 4.12Å; W618-F631 AromaticContact CE2-CD1 3.81Å; W618-F631 AromaticContact CE2-CD2 3.92Å; W618-F631 AromaticContact CE2-CG 3.52Å; W618-F631 AromaticContact CE3-CD1 3.86Å; W618-F631 HydrophobicContact CE3-CD1 3.86Å; W618-F631 HydrophobicContact CE3-CD2 4.01Å; W618-F631 AromaticContact CE3-CE1 3.71Å; W618-F631 HydrophobicContact CE3-CE1 3.71Å; W618-F631 AromaticContact CE3-CE2 3.86Å; W618-F631 HydrophobicContact CE3-CE2 3.86Å; W618-F631 HydrophobicContact CE3-CG 4.04Å; W618-F631 AromaticContact CE3-CZ 3.74Å; W618-F631 HydrophobicContact CE3-CZ 3.74Å; W618-F631 HydrophobicContact CG-CB 4.43Å; W618-F631 AromaticContact CG-CD2 3.38Å; W618-F631 HydrophobicContact CG-CD2 3.38Å; W618-F631 AromaticContact CG-CE2 3.78Å; W618-F631 HydrophobicContact CG-CE2 3.78Å; W618-F631 AromaticContact CG-CG 3.87Å; W618-F631 HydrophobicContact CG-CG 3.87Å; W618-F631 AromaticContact CH2-CD1 3.7Å; W618-F631 HydrophobicContact CH2-CD1 3.7Å; W618-F631 HydrophobicContact CH2-CE1 4.02Å; W618-F631 HydrophobicContact CH2-CG 4.28Å; W618-F631 HydrophobicContact CZ2-CB 4.11Å; W618-F631 AromaticContact CZ2-CD1 3.75Å; W618-F631 HydrophobicContact CZ2-CD1 3.75Å; W618-F631 HydrophobicContact CZ2-CE1 4.47Å; W618-F631 AromaticContact CZ2-CG 3.91Å; W618-F631 HydrophobicContact CZ2-CG 3.91Å; W618-F631 AromaticContact CZ3-CD1 3.79Å; W618-F631 HydrophobicContact CZ3-CD1 3.79Å; W618-F631 AromaticContact CZ3-CE1 3.66Å; W618-F631 HydrophobicContact CZ3-CE1 3.66Å; W618-F631 HydrophobicContact CZ3-CG 4.38Å; W618-F631 HydrophobicContact CZ3-CZ 4.13Å; W618-F631 AromaticContact NE1-CG 3.8Å; W618-I633 HydrophobicContact CB-CD1 4.19Å; W618-I633 HydrophobicContact CB-CG1 4.03Å
619E90.8Very high84.3Confident116 Ų11667.3 Ų67.354%0.54236%0.363SS..EExtended strand (participates in β ladder)trans-132143.2-172.4-63.9-179.4-174.100110I603 K604 S617I603-E619 CarbonylContact O-C 3.59Å; I603-E619 VanDerWaalsContact O-CA 3.29Å; I603-E619 WeakPolarHBondContact O-CA 3.39Å; K604-E619 HydrophobicContact CB-CG 4.09Å; K604-E619 HydrophobicContact CD-CG 4.14Å; K604-E619 VanDerWaalsContact CD-OE1 3.31Å; K604-E619 WeakPolarHBondContact CD-OE1 3.24Å; K604-E619 WeakPolarHBondContact CE-OE1 3.34Å; K604-E619 HydrophobicContact CG-CG 3.9Å; K604-E619 IonicContact NZ-OE1 3.84Å; K604-E619 PolarHBondContact NZ-OE1 3.24Å; S617-E619 PolarHBondContact OG-OE1 2.88Å
620Q90Very high84.8Confident67 Ų6771.6 Ų71.631%0.31338%0.384SS..EExtended strand (participates in β ladder)trans-142.7138173.1176.9171.5-1000109.3I603 W618 T622I603-Q620 WeakPolarHBondContact CA-O 3.39Å; I603-Q620 WeakPolarHBondContact CB-O 3.33Å; I603-Q620 PolarHBondContact N-O 2.88Å; I603-Q620 PolarHBondContact O-N 2.86Å; W618-Q620 HydrophobicContact CH2-CB 3.52Å; W618-Q620 HydrophobicContact CH2-CG 4.38Å; W618-Q620 HydrophobicContact CZ2-CB 4.14Å; W618-Q620 HydrophobicContact CZ3-CB 3.77Å; Q620-T622 PolarHBondContact NE2-O 3Å
621E91.1Very high85.6Confident155 Ų15571 Ų7172%0.72438%0.38SS*.EExtended strand (participates in β ladder)trans-65.2-47-175.7-172.3176.8-173.400112.7T601 N602T601-E621 CarbonylContact C-O 3.57Å; T601-E621 VanDerWaalsContact CA-O 3.29Å; T601-E621 WeakPolarHBondContact CA-O 3.39Å; N602-E621 PolarHBondContact N-O 3.05Å
622T94.1Very high86.5Confident53 Ų5375.9 Ų75.933%0.32540%0.4SS..EExtended strand (participates in β ladder)trans-148.8140.6-177.9-63.70000112.6P599 L600 T601 Q620P599-T622 HydrophobicContact CB-CG2 3.78Å; L600-T622 CarbonylContact O-C 3.52Å; L600-T622 VanDerWaalsContact O-CA 3.28Å; L600-T622 WeakPolarHBondContact O-CA 3.17Å; T601-T622 HydrophobicContact CG2-CG2 4.3Å; Q620-T622 PolarHBondContact NE2-O 3Å
623V93.8Very high87.2Confident0 Ų074.8 Ų74.80%039%0.394CS..EExtended strand (participates in β ladder)trans-116.9114.3165.8173.60000109.6N594 P599 L600 I603 K627 I629N594-V623 HydrophobicContact CB-CG1 3.74Å; N594-V623 PolarHBondContact ND2-O 3.24Å; P599-V623 WeakPolarHBondContact CA-O 3.24Å; L600-V623 PolarHBondContact N-O 3.2Å; L600-V623 PolarHBondContact O-N 3.22Å; I603-V623 HydrophobicContact CD1-CB 3.44Å; I603-V623 VanDerWaalsContact CD1-CB 3.44Å; I603-V623 HydrophobicContact CD1-CG2 3.21Å; V623-K627 HydrophobicContact CG1-CB 3.95Å; V623-K627 HydrophobicContact CG1-CG 4.41Å; V623-I629 HydrophobicContact CG1-CG2 4.38Å; V623-I629 HydrophobicContact CG2-CD1 4.1Å; V623-I629 HydrophobicContact CG2-CG2 3.64Å
624P95.3Very high88.2Confident67 Ų6775.5 Ų75.544%0.43539%0.394SS..  trans-62.2161.5179.3-24.334.2000114N594 G626 K627N594-P624 PolarHBondContact ND2-O 3.07Å; P624-G626 PolarHBondContact O-N 3.03Å; P624-K627 HydrophobicContact CB-CB 4.47Å; P624-K627 WeakPolarHBondContact O-CB 3.24Å; P624-K627 PolarHBondContact O-N 3.1Å
625P94.9Very high89.6Confident67 Ų6769.5 Ų69.544%0.43536%0.362SS..THydrogen-bonded Turntrans-49.8135.7171.6-27.635.4000112.7L596 K627L596-P625 WeakPolarHBondContact O-CB 3.16Å; P625-K627 PolarHBondContact O-N 3.08Å; P625-K627 VanDerWaalsContact O-N 3.1Å
626G93.3Very high90.8Very high47 Ų4767.2 Ų67.249%0.48535%0.354SS..THydrogen-bonded Turntrans73.8-8.8176.900000115.9N594 P624N594-G626 WeakPolarHBondContact O-CA 3.31Å; N594-G626 PolarHBondContact O-N 3.01Å; P624-G626 PolarHBondContact O-N 3.03Å
627K95.1Very high91.5Very high128 Ų12862.5 Ų62.556%0.55733%0.333SS*.  trans-75.8143-177.6-168.774.1178.3-172.90111.1N594 V623 P624 P625N594-K627 PolarHBondContact N-O 3.26Å; V623-K627 HydrophobicContact CG1-CB 3.95Å; V623-K627 HydrophobicContact CG1-CG 4.41Å; P624-K627 HydrophobicContact CB-CB 4.47Å; P624-K627 WeakPolarHBondContact O-CB 3.24Å; P624-K627 PolarHBondContact O-N 3.1Å; P625-K627 PolarHBondContact O-N 3.08Å; P625-K627 VanDerWaalsContact O-N 3.1Å
628T93.3Very high91.8Very high67 Ų6762 Ų6241%0.41133%0.328SS..EExtended strand (participates in β ladder)trans-107.5138.8172.1-54.70000109.7N591 F592 K593N591-T628 WeakPolarHBondContact OD1-CG2 3.16Å; F592-T628 CarbonylContact O-C 3.54Å; F592-T628 WeakPolarHBondContact O-CA 3.43Å; K593-T628 HydrophobicContact CB-CG2 4.43Å; K593-T628 WeakPolarHBondContact CG-OG1 3.38Å
629I92.3Very high91.6Very high15 Ų1562.4 Ų62.48%0.07733%0.332CS..EExtended strand (participates in β ladder)trans-116.6141.7172.456.9169.1000109.8N591 F592 F605 W618 V623 F631N591-I629 WeakPolarHBondContact CA-O 3.26Å; F592-I629 HydrophobicContact CB-CD1 4.32Å; F592-I629 HydrophobicContact CB-CG1 3.95Å; F592-I629 HydrophobicContact CD1-CD1 4.05Å; F592-I629 HydrophobicContact CD1-CG1 4.04Å; F592-I629 PolarHBondContact N-O 3.38Å; F592-I629 WeakPolarHBondContact O-CG1 3.19Å; F592-I629 PolarHBondContact O-N 3.14Å; F605-I629 HydrophobicContact CE2-CD1 3.89Å; F605-I629 HydrophobicContact CZ-CD1 4.5Å; W618-I629 HydrophobicContact CH2-CD1 3.71Å; W618-I629 HydrophobicContact CZ3-CD1 3.72Å; V623-I629 HydrophobicContact CG1-CG2 4.38Å; V623-I629 HydrophobicContact CG2-CD1 4.1Å; V623-I629 HydrophobicContact CG2-CG2 3.64Å; I629-F631 HydrophobicContact CD1-CD1 4.28Å; I629-F631 HydrophobicContact CD1-CE1 3.84Å; I629-F631 HydrophobicContact CG1-CE1 4.31Å
630N92.8Very high91.5Very high105 Ų10560.1 Ų60.156%0.56133%0.326SS*.EExtended strand (participates in β ladder)trans-135.9128174.1-175-33.1000107.7C590C590-N630 WeakPolarHBondContact O-CA 3.41Å
631F91.5Very high91.4Very high17 Ų1757.9 Ų57.98%0.07532%0.321CS..EExtended strand (participates in β ladder)trans-155.1167.3-179.260.2-86.2000110.2C590 F605 W618 I629 I633C590-F631 HydrophobicContact CB-CD2 4.33Å; C590-F631 HydrophobicContact CB-CE1 3.93Å; C590-F631 HydrophobicContact CB-CE2 3.63Å; C590-F631 HydrophobicContact CB-CZ 3.36Å; C590-F631 PolarHBondContact N-O 3.35Å; C590-F631 PolarHBondContact O-N 2.87Å; F605-F631 HydrophobicContact CB-CE2 3.87Å; F605-F631 HydrophobicContact CB-CZ 3.75Å; F605-F631 HydrophobicContact CD1-CE2 4.46Å; F605-F631 AromaticContact CD1-CZ 3.69Å; F605-F631 HydrophobicContact CD1-CZ 3.69Å; F605-F631 AromaticContact CD2-CE1 3.78Å; F605-F631 HydrophobicContact CD2-CE1 3.78Å; F605-F631 HydrophobicContact CD2-CE2 4.15Å; F605-F631 AromaticContact CD2-CZ 3.24Å; F605-F631 HydrophobicContact CD2-CZ 3.24Å; F605-F631 AromaticContact CE1-CZ 3.98Å; F605-F631 HydrophobicContact CE1-CZ 3.98Å; F605-F631 AromaticContact CE2-CE1 3.68Å; F605-F631 HydrophobicContact CE2-CE1 3.68Å; F605-F631 AromaticContact CE2-CZ 3.57Å; F605-F631 HydrophobicContact CE2-CZ 3.57Å; F605-F631 HydrophobicContact CG-CE1 4.24Å; F605-F631 AromaticContact CG-CE2 3.95Å; F605-F631 HydrophobicContact CG-CE2 3.95Å; F605-F631 AromaticContact CG-CZ 3.29Å; F605-F631 HydrophobicContact CG-CZ 3.29Å; F605-F631 HydrophobicContact CZ-CE1 4.09Å; F605-F631 AromaticContact CZ-CZ 3.92Å; F605-F631 HydrophobicContact CZ-CZ 3.92Å; W618-F631 HydrophobicContact CB-CD2 3.76Å; W618-F631 HydrophobicContact CB-CE2 3.78Å; W618-F631 AromaticContact CD1-CD2 3.74Å; W618-F631 AromaticContact CD1-CG 3.99Å; W618-F631 HydrophobicContact CD2-CB 4.28Å; W618-F631 AromaticContact CD2-CD1 3.85Å; W618-F631 HydrophobicContact CD2-CD1 3.85Å; W618-F631 AromaticContact CD2-CD2 3.51Å; W618-F631 HydrophobicContact CD2-CD2 3.51Å; W618-F631 HydrophobicContact CD2-CE1 4.13Å; W618-F631 AromaticContact CD2-CE2 3.8Å; W618-F631 HydrophobicContact CD2-CE2 3.8Å; W618-F631 AromaticContact CD2-CG 3.57Å; W618-F631 HydrophobicContact CD2-CG 3.57Å; W618-F631 HydrophobicContact CD2-CZ 4.12Å; W618-F631 AromaticContact CE2-CD1 3.81Å; W618-F631 AromaticContact CE2-CD2 3.92Å; W618-F631 AromaticContact CE2-CG 3.52Å; W618-F631 AromaticContact CE3-CD1 3.86Å; W618-F631 HydrophobicContact CE3-CD1 3.86Å; W618-F631 HydrophobicContact CE3-CD2 4.01Å; W618-F631 AromaticContact CE3-CE1 3.71Å; W618-F631 HydrophobicContact CE3-CE1 3.71Å; W618-F631 AromaticContact CE3-CE2 3.86Å; W618-F631 HydrophobicContact CE3-CE2 3.86Å; W618-F631 HydrophobicContact CE3-CG 4.04Å; W618-F631 AromaticContact CE3-CZ 3.74Å; W618-F631 HydrophobicContact CE3-CZ 3.74Å; W618-F631 HydrophobicContact CG-CB 4.43Å; W618-F631 AromaticContact CG-CD2 3.38Å; W618-F631 HydrophobicContact CG-CD2 3.38Å; W618-F631 AromaticContact CG-CE2 3.78Å; W618-F631 HydrophobicContact CG-CE2 3.78Å; W618-F631 AromaticContact CG-CG 3.87Å; W618-F631 HydrophobicContact CG-CG 3.87Å; W618-F631 AromaticContact CH2-CD1 3.7Å; W618-F631 HydrophobicContact CH2-CD1 3.7Å; W618-F631 HydrophobicContact CH2-CE1 4.02Å; W618-F631 HydrophobicContact CH2-CG 4.28Å; W618-F631 HydrophobicContact CZ2-CB 4.11Å; W618-F631 AromaticContact CZ2-CD1 3.75Å; W618-F631 HydrophobicContact CZ2-CD1 3.75Å; W618-F631 HydrophobicContact CZ2-CE1 4.47Å; W618-F631 AromaticContact CZ2-CG 3.91Å; W618-F631 HydrophobicContact CZ2-CG 3.91Å; W618-F631 AromaticContact CZ3-CD1 3.79Å; W618-F631 HydrophobicContact CZ3-CD1 3.79Å; W618-F631 AromaticContact CZ3-CE1 3.66Å; W618-F631 HydrophobicContact CZ3-CE1 3.66Å; W618-F631 HydrophobicContact CZ3-CG 4.38Å; W618-F631 HydrophobicContact CZ3-CZ 4.13Å; W618-F631 AromaticContact NE1-CG 3.8Å; I629-F631 HydrophobicContact CD1-CD1 4.28Å; I629-F631 HydrophobicContact CD1-CE1 3.84Å; I629-F631 HydrophobicContact CG1-CE1 4.31Å; F631-I633 HydrophobicContact CD2-CG1 4.14Å; F631-I633 HydrophobicContact CE2-CD1 3.97Å; F631-I633 HydrophobicContact CE2-CG1 3.92Å
632Q92.3Very high91.3Very high116 Ų11654.8 Ų54.854%0.54231%0.314SS..EExtended strand (participates in β ladder)trans-118.1141.7179-69-179.4-21.400111.2T587 I588 T589T587-Q632 HydrophobicContact CG2-CB 3.9Å; T587-Q632 HydrophobicContact CG2-CG 3.96Å; I588-Q632 CarbonylContact O-C 3.59Å; I588-Q632 VanDerWaalsContact O-CA 3.23Å; I588-Q632 WeakPolarHBondContact O-CA 3.43Å; T589-Q632 HydrophobicContact CG2-CG 4.38Å; T589-Q632 PolarHBondContact OG1-NE2 2.89Å
633I91.3Very high90.9Very high7 Ų755.5 Ų55.54%0.03631%0.31CS..EExtended strand (participates in β ladder)trans-114.5127.6169.5-55.7177.5000107.8I588 F605 V607 K616 W618 F631I588-I633 HydrophobicContact CB-CB 4.43Å; I588-I633 WeakPolarHBondContact CB-O 3.41Å; I588-I633 PolarHBondContact N-O 2.84Å; I588-I633 PolarHBondContact O-N 2.86Å; F605-I633 HydrophobicContact CB-CD1 3.96Å; V607-I633 HydrophobicContact CG2-CB 4.19Å; V607-I633 HydrophobicContact CG2-CD1 3.77Å; V607-I633 HydrophobicContact CG2-CG2 3.8Å; K616-I633 HydrophobicContact CB-CG2 3.73Å; W618-I633 HydrophobicContact CB-CD1 4.19Å; W618-I633 HydrophobicContact CB-CG1 4.03Å; F631-I633 HydrophobicContact CD2-CG1 4.14Å; F631-I633 HydrophobicContact CE2-CD1 3.97Å; F631-I633 HydrophobicContact CE2-CG1 3.92Å
634E89Confident90.5Very high113 Ų11357.8 Ų57.853%0.52832%0.32SS..EExtended strand (participates in β ladder)trans-104.1133174.2-65.8-170.6162.700111.2L586 T587 K616L586-E634 WeakPolarHBondContact O-CA 3.47Å; T587-E634 HydrophobicContact CG2-CG 4.45Å; K616-E634 VanDerWaalsContact CG-O 3.27Å; K616-E634 WeakPolarHBondContact CG-O 3.36Å
635C89.8Confident90.2Very high2 Ų254.6 Ų54.61%0.01430%0.3CS..EExtended strand (participates in β ladder)trans-135.6162.4174.962.30000111.3L586 L612L586-C635 PolarHBondContact N-O 2.64Å; L586-C635 PolarHBondContact O-N 3.08Å; L612-C635 HydrophobicContact CD1-CB 4.28Å; L612-C635 HydrophobicContact CD2-CB 4.04Å
636T90.2Very high89.8Confident46 Ų4651.7 Ų51.728%0.28228%0.281SS..  trans-127.6110.2-176-530000110.3N613N613-T636 PolarHBondContact N-O 2.87Å; N613-T636 VanDerWaalsContact N-O 3.1Å
637P89.6Confident89.5Confident2 Ų249.5 Ų49.51%0.01326%0.258CS..BIsolated β-bridgetrans-74.3138.1175.430.7-31.6000111.2V582 N583 Q584 G611 L612 I665V582-P637 CarbonylContact C-O 3.53Å; V582-P637 WeakPolarHBondContact CA-O 3.49Å; N583-P637 PolarHBondContact N-O 3.49Å; Q584-P637 WeakPolarHBondContact O-CD 3.45Å; G611-P637 CarbonylContact O-C 3.44Å; G611-P637 WeakPolarHBondContact O-CA 3.42Å; L612-P637 HydrophobicContact CD2-CB 4.2Å; P637-I665 HydrophobicContact CB-CD1 3.87Å; P637-I665 HydrophobicContact CB-CG1 3.94Å; P637-I665 HydrophobicContact CB-CG2 3.98Å; P637-I665 HydrophobicContact CG-CD1 3.76Å; P637-I665 HydrophobicContact CG-CG1 4.3Å; P637-I665 HydrophobicContact CG-CG2 4.04Å
638V88.9Confident89.2Confident49 Ų4943.7 Ų43.730%0.29723%0.232SC..  trans-116.5-5.9-177.8-60.60000113.2G611 N613G611-V638 WeakPolarHBondContact O-CG2 3.35Å; G611-V638 PolarHBondContact O-N 2.91Å; N613-V638 HydrophobicContact CB-CG1 4.05Å
639K85Confident89Confident72 Ų7240.6 Ų40.631%0.31321%0.213SC..SBendtrans-123.2132.9176.9-66.7-176.1179.1177.50110.7Q29 E175 R643 I665Q29-K639 VanDerWaalsContact NE2-NZ 3.13Å; E175-K639 IonicContact OE1-NZ 2.94Å; E175-K639 PolarHBondContact OE1-NZ 2.9Å; K639-R643 PolarHBondContact O-NE 2.88Å; K639-I665 WeakPolarHBondContact O-CG2 3.35Å
640T88.4Confident88.9Confident68 Ų6840.5 Ų40.542%0.41721%0.213SC..  trans-69166174.450.70000112.6V582 R643 I665 K667V582-T640 HydrophobicContact CG2-CG2 3.5Å; T640-R643 PolarHBondContact O-NE 2.97Å; T640-R643 PolarHBondContact O-NH2 3.3Å; T640-I665 CarbonylContact C-O 3.52Å; T640-I665 WeakPolarHBondContact CA-O 3.33Å; T640-K667 HydrophobicContact CG2-CG 3.94Å
641G88.8Confident88.7Confident20 Ų2035.6 Ų35.621%0.20619%0.187CC..EExtended strand (participates in β ladder)trans101.9179.9176.700000113.3R643 I665G641-R643 PolarHBondContact O-N 2.9Å; G641-I665 PolarHBondContact N-O 3.5Å; G641-I665 PolarHBondContact O-N 3.14Å
642P87.5Confident88.6Confident89 Ų8939.7 Ų39.758%0.57820%0.202SC*.EExtended strand (participates in β ladder)trans-64.4127.6172.927.3-32.8000109.8V662P642-V662 HydrophobicContact CB-CG1 4.04Å
643R86.9Confident88.5Confident68 Ų6835.4 Ų35.426%0.25718%0.181SC..EExtended strand (participates in β ladder)trans-126.5129.8179.1-62.3-62.1168.3-135.314.3109.8L610 K639 T640 G641 F645 V662 V663 I665L610-R643 WeakPolarHBondContact O-CD 3.48Å; K639-R643 PolarHBondContact O-NE 2.88Å; T640-R643 PolarHBondContact O-NE 2.97Å; T640-R643 PolarHBondContact O-NH2 3.3Å; G641-R643 PolarHBondContact O-N 2.9Å; R643-F645 HydrophobicContact CB-CD2 4.45Å; R643-F645 HydrophobicContact CB-CE2 3.85Å; R643-F645 WeakPolarHBondContact O-CD2 3.41Å; R643-V662 WeakPolarHBondContact O-CA 3.24Å; R643-V663 PolarHBondContact N-O 3.02Å; R643-V663 PolarHBondContact O-N 2.9Å; R643-I665 HydrophobicContact CB-CG1 4.02Å; R643-I665 HydrophobicContact CG-CB 4.43Å; R643-I665 HydrophobicContact CG-CG1 3.58Å
644K85.4Confident88.3Confident48 Ų4835.3 Ų35.321%0.20918%0.182CC..EExtended strand (participates in β ladder)trans-89.5121.7177.9-175.9-174.4174.1-170.40109.4Y155 P168 S609 E660Y155-K644 PolarHBondContact OH-NZ 2.86Å; P168-K644 VanDerWaalsContact CB-NZ 3.31Å; S609-K644 WeakPolarHBondContact CA-O 3.27Å; S609-K644 WeakPolarHBondContact CB-O 3.33Å; S609-K644 PolarHBondContact OG-O 2.81Å; K644-E660 VanDerWaalsContact CE-OE1 3.29Å; K644-E660 WeakPolarHBondContact CE-OE1 3.28Å; K644-E660 WeakPolarHBondContact CE-OE2 3.45Å; K644-E660 IonicContact NZ-OE1 2.69Å; K644-E660 PolarHBondContact NZ-OE1 3.29Å; K644-E660 IonicContact NZ-OE2 3.95Å; K644-E660 PolarHBondContact NZ-OE2 2.67Å
645F87.5Confident88Confident0 Ų030.2 Ų30.20%016%0.157CC..EExtended strand (participates in β ladder)trans-100.8131.5173.9-71.1-105.8000109.6M576 L586 I588 V607 L612 R643 E660 K661 V663 I665M576-F645 HydrophobicContact CE-CB 3.37Å; M576-F645 HydrophobicContact CE-CD1 3.64Å; M576-F645 HydrophobicContact CE-CD2 4.06Å; M576-F645 HydrophobicContact CE-CE1 4.41Å; M576-F645 HydrophobicContact CE-CG 3.42Å; M576-F645 VanDerWaalsContact CE-CG 3.42Å; M576-F645 HydrophobicContact SD-CB 4.11Å; L586-F645 HydrophobicContact CD1-CE1 4.21Å; L586-F645 HydrophobicContact CD1-CE2 4.35Å; L586-F645 HydrophobicContact CD1-CZ 3.84Å; I588-F645 HydrophobicContact CD1-CD1 4.32Å; V607-F645 HydrophobicContact CG1-CD1 3.9Å; L612-F645 HydrophobicContact CD1-CD1 4.23Å; L612-F645 HydrophobicContact CD1-CE1 3.87Å; L612-F645 HydrophobicContact CD2-CE1 3.78Å; L612-F645 HydrophobicContact CD2-CZ 4.07Å; L612-F645 HydrophobicContact CG-CE1 4.19Å; R643-F645 HydrophobicContact CB-CD2 4.45Å; R643-F645 HydrophobicContact CB-CE2 3.85Å; R643-F645 WeakPolarHBondContact O-CD2 3.41Å; F645-E660 WeakPolarHBondContact O-CA 3.17Å; F645-K661 PolarHBondContact N-O 2.79Å; F645-K661 PolarHBondContact O-N 3.28Å; F645-V663 HydrophobicContact CD2-CB 3.94Å; F645-V663 HydrophobicContact CD2-CG2 3.56Å; F645-V663 HydrophobicContact CE2-CB 3.71Å; F645-V663 HydrophobicContact CE2-CG2 3.77Å; F645-V663 HydrophobicContact CG-CG2 4.37Å; F645-I665 HydrophobicContact CE2-CD1 4.42Å
646I86.3Confident87Confident7 Ų731.5 Ų31.54%0.03616%0.163CC..EExtended strand (participates in β ladder)trans-114.5113.2177.1-55.9155.2000106.3P168 V607 E608 K648 H658P168-I646 HydrophobicContact CB-CD1 3.56Å; P168-I646 HydrophobicContact CB-CG1 4.1Å; P168-I646 HydrophobicContact CG-CB 4.44Å; P168-I646 HydrophobicContact CG-CD1 3.58Å; P168-I646 HydrophobicContact CG-CG1 3.82Å; P168-I646 HydrophobicContact CG-CG2 3.74Å; V607-I646 WeakPolarHBondContact CA-O 3.36Å; E608-I646 PolarHBondContact N-O 3.17Å; E608-I646 PolarHBondContact O-N 2.84Å; I646-K648 HydrophobicContact CG2-CG 3.99Å; I646-H658 HydrophobicContact CG2-CB 4.48Å
647V88.7Confident86.6Confident0 Ų030.3 Ų30.30%016%0.156CC..EExtended strand (participates in β ladder)trans-98.6123.5172.7-171.70000107.4F572 V574 M576 I588 S606 V607 H658 A659F572-V647 HydrophobicContact CE2-CB 4.37Å; F572-V647 HydrophobicContact CE2-CG1 3.82Å; F572-V647 HydrophobicContact CZ-CB 4.34Å; F572-V647 HydrophobicContact CZ-CG1 4.08Å; V574-V647 HydrophobicContact CG1-CB 4.47Å; V574-V647 HydrophobicContact CG1-CG2 3.9Å; V574-V647 HydrophobicContact CG2-CB 4.23Å; V574-V647 HydrophobicContact CG2-CG1 4.19Å; M576-V647 HydrophobicContact SD-CG2 4.02Å; I588-V647 HydrophobicContact CG2-CG2 4.11Å; S606-V647 CarbonylContact O-C 3.56Å; S606-V647 WeakPolarHBondContact O-CA 3.34Å; V607-V647 HydrophobicContact CG2-CG1 4.43Å; V607-V647 HydrophobicContact CG2-CG2 4.25Å; V647-H658 CarbonylContact O-C 3.49Å; V647-H658 WeakPolarHBondContact O-CA 3.32Å; V647-H658 WeakPolarHBondContact O-CB 3.31Å; V647-A659 PolarHBondContact N-O 2.72Å; V647-A659 PolarHBondContact O-N 3.28Å
648K87.8Confident86.4Confident6 Ų632.9 Ų32.93%0.02617%0.168CC..EExtended strand (participates in β ladder)trans-113.5139.9-179.7-62.1-175.6177-174.10110.5V233 W234 F605 S606 I646 H658V233-K648 PolarHBondContact O-NZ 3.21Å; W234-K648 PolarHBondContact O-NZ 3.41Å; W234-K648 VanDerWaalsContact O-NZ 3.14Å; F605-K648 CarbonylContact C-O 3.57Å; F605-K648 WeakPolarHBondContact CA-O 3.43Å; S606-K648 PolarHBondContact N-O 2.67Å; S606-K648 PolarHBondContact O-N 2.78Å; I646-K648 HydrophobicContact CG2-CG 3.99Å; K648-H658 HydrophobicContact CG-CB 4.25Å
649F89Confident86.3Confident2 Ų231.8 Ų31.81%0.00916%0.164CC..EExtended strand (participates in β ladder)trans-113.3129.4166.8168.8-112.1000109.6F572 F592 L600 I603 F605 V654 V657F572-F649 HydrophobicContact CD1-CB 3.99Å; F572-F649 HydrophobicContact CE1-CB 3.79Å; F572-F649 HydrophobicContact CZ-CB 4.21Å; F592-F649 HydrophobicContact CD1-CE2 4.23Å; F592-F649 HydrophobicContact CD1-CZ 4.21Å; F592-F649 HydrophobicContact CD2-CE1 4.4Å; F592-F649 HydrophobicContact CD2-CZ 4.37Å; F592-F649 HydrophobicContact CE1-CE1 4.37Å; F592-F649 HydrophobicContact CE1-CE2 4.07Å; F592-F649 AromaticContact CE1-CZ 3.64Å; F592-F649 HydrophobicContact CE1-CZ 3.64Å; F592-F649 HydrophobicContact CE2-CD1 4.31Å; F592-F649 AromaticContact CE2-CE1 3.71Å; F592-F649 HydrophobicContact CE2-CE1 3.71Å; F592-F649 AromaticContact CE2-CZ 3.81Å; F592-F649 HydrophobicContact CE2-CZ 3.81Å; F592-F649 AromaticContact CZ-CE1 3.7Å; F592-F649 HydrophobicContact CZ-CE1 3.7Å; F592-F649 HydrophobicContact CZ-CE2 4.22Å; F592-F649 AromaticContact CZ-CZ 3.41Å; F592-F649 HydrophobicContact CZ-CZ 3.41Å; F592-F649 VanDerWaalsContact CZ-CZ 3.41Å; L600-F649 HydrophobicContact CD1-CZ 4.2Å; I603-F649 HydrophobicContact CG1-CE2 4.3Å; I603-F649 HydrophobicContact CG2-CD2 4.22Å; I603-F649 HydrophobicContact CG2-CE2 3.66Å; F605-F649 HydrophobicContact CD1-CB 3.94Å; F605-F649 HydrophobicContact CD1-CD2 4.24Å; F605-F649 AromaticContact CD2-CD2 3.87Å; F605-F649 HydrophobicContact CD2-CD2 3.87Å; F605-F649 HydrophobicContact CE1-CB 3.58Å; F605-F649 AromaticContact CE1-CD2 3.69Å; F605-F649 HydrophobicContact CE1-CD2 3.69Å; F605-F649 AromaticContact CE1-CG 3.95Å; F605-F649 HydrophobicContact CE1-CG 3.95Å; F605-F649 AromaticContact CE2-CD2 3.26Å; F605-F649 HydrophobicContact CE2-CD2 3.26Å; F605-F649 AromaticContact CE2-CE2 3.69Å; F605-F649 HydrophobicContact CE2-CE2 3.69Å; F605-F649 HydrophobicContact CE2-CG 4.31Å; F605-F649 HydrophobicContact CG-CD2 4.33Å; F605-F649 HydrophobicContact CZ-CB 3.99Å; F605-F649 AromaticContact CZ-CD2 3.15Å; F605-F649 HydrophobicContact CZ-CD2 3.15Å; F605-F649 AromaticContact CZ-CE2 3.79Å; F605-F649 HydrophobicContact CZ-CE2 3.79Å; F605-F649 AromaticContact CZ-CG 3.81Å; F605-F649 HydrophobicContact CZ-CG 3.81Å; F649-V654 HydrophobicContact CD1-CG1 4.18Å; F649-V654 HydrophobicContact CE1-CB 4.12Å; F649-V654 HydrophobicContact CE1-CG1 3.77Å; F649-V657 HydrophobicContact CB-CB 4.37Å; F649-V657 HydrophobicContact CD1-CB 4.15Å; F649-V657 HydrophobicContact CD1-CG2 4.12Å; F649-V657 PolarHBondContact N-O 3.23Å; F649-V657 PolarHBondContact O-N 2.94Å
650I89.4Confident86.4Confident14 Ų1431.7 Ų31.77%0.07216%0.164CC..EExtended strand (participates in β ladder)trans-136.2147.3172.860.5175.8000109.7Y232 V233 I603 K604Y232-I650 HydrophobicContact CD2-CD1 4.5Å; Y232-I650 HydrophobicContact CD2-CG2 4.1Å; Y232-I650 HydrophobicContact CE2-CB 4.24Å; Y232-I650 HydrophobicContact CE2-CD1 3.91Å; Y232-I650 HydrophobicContact CE2-CG2 4.2Å; V233-I650 HydrophobicContact CG2-CD1 3.81Å; I603-I650 WeakPolarHBondContact CA-O 3.43Å; K604-I650 HydrophobicContact CB-CD1 4.05Å; K604-I650 HydrophobicContact CB-CG1 3.73Å; K604-I650 HydrophobicContact CD-CD1 4.2Å; K604-I650 HydrophobicContact CG-CD1 4.29Å; K604-I650 HydrophobicContact CG-CG1 4.32Å; K604-I650 PolarHBondContact N-O 2.77Å; K604-I650 WeakPolarHBondContact O-CG1 3.43Å; K604-I650 PolarHBondContact O-N 3.47Å
651S90.3Very high86.4Confident2 Ų232.2 Ų32.21%0.01416%0.161CC..  trans-141.2177.7166.2730000109T601 Q653 V654 K655T601-S651 WeakPolarHBondContact O-CB 2.95Å; S651-Q653 VanDerWaalsContact C-N 3.28Å; S651-Q653 PolarHBondContact O-N 2.69Å; S651-Q653 PolarHBondContact OG-N 3.12Å; S651-V654 PolarHBondContact N-O 3.43Å; S651-V654 WeakPolarHBondContact OG-CB 3.23Å; S651-V654 PolarHBondContact OG-N 2.64Å; S651-K655 WeakPolarHBondContact O-CE 3.16Å; S651-K655 PolarHBondContact O-NZ 3.46Å
652R88.9Confident86.4Confident103 Ų10335.6 Ų35.639%0.38918%0.177SC..SBendtrans-62.5-35.3175.4-171.5170.9178.41492.4112.6G536 T601 K655G536-R652 PolarHBondContact O-NE 3.34Å; G536-R652 PolarHBondContact O-NH2 2.71Å; T601-R652 PolarHBondContact O-N 3.13Å; R652-K655 WeakPolarHBondContact O-CE 3.26Å; R652-K655 PolarHBondContact O-NZ 2.79Å
653Q90.3Very high86.6Confident25 Ų2531.4 Ų31.412%0.11715%0.15CC..SBendtrans-95.4-23.6-176-62.474.720.200113.7L535 I598 L600 T601 S651L535-Q653 HydrophobicContact CB-CB 4.18Å; L535-Q653 HydrophobicContact CB-CG 4.15Å; I598-Q653 HydrophobicContact CD1-CG 3.98Å; L600-Q653 HydrophobicContact CD2-CB 3.78Å; L600-Q653 HydrophobicContact CD2-CG 4.38Å; T601-Q653 PolarHBondContact OG1-NE2 2.75Å; S651-Q653 VanDerWaalsContact C-N 3.28Å; S651-Q653 PolarHBondContact O-N 2.69Å; S651-Q653 PolarHBondContact OG-N 3.12Å
654V86.3Confident86.9Confident6 Ų632.1 Ų32.14%0.03616%0.159CC..SBendtrans-121.6116.8-176.91730000108.6L467 Y569 L596 L600 F649 S651 V657L467-V654 HydrophobicContact CD2-CG2 3.73Å; Y569-V654 HydrophobicContact CD1-CB 4.11Å; Y569-V654 HydrophobicContact CD1-CG1 3.46Å; Y569-V654 VanDerWaalsContact CD1-CG1 3.46Å; Y569-V654 HydrophobicContact CD1-CG2 3.88Å; Y569-V654 HydrophobicContact CD2-CG1 4.41Å; Y569-V654 HydrophobicContact CE1-CB 4.09Å; Y569-V654 HydrophobicContact CE1-CG1 3.78Å; Y569-V654 HydrophobicContact CE1-CG2 4Å; Y569-V654 HydrophobicContact CG-CG1 3.82Å; L596-V654 HydrophobicContact CD1-CG2 4.39Å; L600-V654 HydrophobicContact CD2-CG2 3.94Å; F649-V654 HydrophobicContact CD1-CG1 4.18Å; F649-V654 HydrophobicContact CE1-CB 4.12Å; F649-V654 HydrophobicContact CE1-CG1 3.77Å; S651-V654 PolarHBondContact N-O 3.43Å; S651-V654 WeakPolarHBondContact OG-CB 3.23Å; S651-V654 PolarHBondContact OG-N 2.64Å; V654-V657 HydrophobicContact CG1-CG2 3.76Å
655K82.4Confident87.3Confident5 Ų530 Ų302%0.02215%0.149CC..  trans-102.3136.6175.4-48.5-58.7-179.2-1740110.9Y232 D539 E541 Y569 S651 R652Y232-K655 HydrophobicContact CD2-CD 4.31Å; Y232-K655 HydrophobicContact CE1-CD 4.25Å; Y232-K655 HydrophobicContact CE2-CD 3.99Å; Y232-K655 PolarHBondContact OH-NZ 2.81Å; D539-K655 IonicContact OD1-NZ 3.22Å; D539-K655 PolarHBondContact OD1-NZ 2.96Å; E541-K655 VanDerWaalsContact OE2-CB 3.3Å; E541-K655 WeakPolarHBondContact OE2-CB 3.31Å; Y569-K655 WeakPolarHBondContact CE2-O 3.45Å; S651-K655 WeakPolarHBondContact O-CE 3.16Å; S651-K655 PolarHBondContact O-NZ 3.46Å; R652-K655 WeakPolarHBondContact O-CE 3.26Å; R652-K655 PolarHBondContact O-NZ 2.79Å
656E70.5Confident87.5Confident30 Ų3032.8 Ų32.814%0.1417%0.167CC..  trans54.562.9160.4-158.3166.8-178.500115.6K167K167-E656 VanDerWaalsContact CD-OE1 3.31Å; K167-E656 WeakPolarHBondContact CD-OE1 3.36Å; K167-E656 WeakPolarHBondContact CE-OE1 3.3Å; K167-E656 WeakPolarHBondContact CG-OE1 3.34Å; K167-E656 IonicContact NZ-OE1 2.91Å; K167-E656 PolarHBondContact NZ-OE1 3.39Å; K167-E656 IonicContact NZ-OE2 2.92Å; K167-E656 PolarHBondContact NZ-OE2 3.12Å
657V80.9Confident87.7Confident20 Ų2042.7 Ų42.712%0.12121%0.209CC..EExtended strand (participates in β ladder)trans-92132.8158.3-168.70000107.3Y569 F572 F649 V654Y569-V657 HydrophobicContact CD2-CG2 4.13Å; Y569-V657 HydrophobicContact CG-CG2 4.01Å; F572-V657 HydrophobicContact CD1-CB 4.21Å; F572-V657 HydrophobicContact CD1-CG1 3.64Å; F572-V657 HydrophobicContact CE1-CB 4.14Å; F572-V657 HydrophobicContact CE1-CG1 3.78Å; F649-V657 HydrophobicContact CB-CB 4.37Å; F649-V657 HydrophobicContact CD1-CB 4.15Å; F649-V657 HydrophobicContact CD1-CG2 4.12Å; F649-V657 PolarHBondContact N-O 3.23Å; F649-V657 PolarHBondContact O-N 2.94Å; V654-V657 HydrophobicContact CG1-CG2 3.76Å
658H85.5Confident87.6Confident57 Ų5744.8 Ų44.826%0.26422%0.22SC..EExtended strand (participates in β ladder)trans-136.3159178.471.1-82.9000111.8E166 I646 V647 K648 E660E166-H658 PolarHBondContact O-CE1 2.98Å; I646-H658 HydrophobicContact CG2-CB 4.48Å; V647-H658 CarbonylContact O-C 3.49Å; V647-H658 WeakPolarHBondContact O-CA 3.32Å; V647-H658 WeakPolarHBondContact O-CB 3.31Å; K648-H658 HydrophobicContact CG-CB 4.25Å; H658-E660 IonicContact CD2-OE1 3.22Å; H658-E660 IonicContact NE2-OE1 2.73Å
659A86.6Confident87.6Confident26 Ų2646.8 Ų46.822%0.21523%0.23CC..EExtended strand (participates in β ladder)trans-131.7143.7170.500000108.5F572 V574 V647F572-A659 HydrophobicContact CE2-CB 4.44Å; F572-A659 HydrophobicContact CZ-CB 4.06Å; V574-A659 HydrophobicContact CB-CB 4.19Å; V574-A659 HydrophobicContact CG2-CB 3.75Å; V647-A659 PolarHBondContact N-O 2.72Å; V647-A659 PolarHBondContact O-N 3.28Å
660E86.9Confident87.5Confident70 Ų7049.3 Ų49.333%0.32724%0.242SC..EExtended strand (participates in β ladder)trans-120.3142.3-178.7-51.1-171151.300110.5Y155 P168 K644 F645 H658Y155-E660 PolarHBondContact OH-OE2 2.94Å; P168-E660 VanDerWaalsContact CB-OE1 3.27Å; P168-E660 WeakPolarHBondContact CB-OE1 3.3Å; P168-E660 WeakPolarHBondContact CG-OE1 3.44Å; K644-E660 VanDerWaalsContact CE-OE1 3.29Å; K644-E660 WeakPolarHBondContact CE-OE1 3.28Å; K644-E660 WeakPolarHBondContact CE-OE2 3.45Å; K644-E660 IonicContact NZ-OE1 2.69Å; K644-E660 PolarHBondContact NZ-OE1 3.29Å; K644-E660 IonicContact NZ-OE2 3.95Å; K644-E660 PolarHBondContact NZ-OE2 2.67Å; F645-E660 WeakPolarHBondContact O-CA 3.17Å; H658-E660 IonicContact CD2-OE1 3.22Å; H658-E660 IonicContact NE2-OE1 2.73Å
661K88.8Confident87.4Confident78 Ų7851.4 Ų51.434%0.33925%0.252SS..EExtended strand (participates in β ladder)trans-147.3134.6170.8-174.5149.1171.5177.90111.2M576 F645M576-K661 HydrophobicContact CB-CD 3.97Å; M576-K661 WeakPolarHBondContact O-CE 3.33Å; M576-K661 PolarHBondContact O-NZ 3.44Å; M576-K661 HydrophobicContact SD-CB 4Å; F645-K661 PolarHBondContact N-O 2.79Å; F645-K661 PolarHBondContact O-N 3.28Å
662V89.1Confident87.3Confident92 Ų9254.5 Ų54.556%0.55827%0.267SS*.EExtended strand (participates in β ladder)trans-86.1129.3170.3179.50000108.8P642 R643P642-V662 HydrophobicContact CB-CG1 4.04Å; R643-V662 WeakPolarHBondContact O-CA 3.24Å
663V91.3Very high87.2Confident0 Ų051.3 Ų51.30%026%0.259CS..EExtended strand (participates in β ladder)trans-119.9131.5174.9-172.50000108.4M576 P577 L586 R643 F645 I665M576-V663 HydrophobicContact CE-CG2 3.98Å; P577-V663 WeakPolarHBondContact O-CG2 3.32Å; L586-V663 HydrophobicContact CD1-CB 4.49Å; L586-V663 HydrophobicContact CD1-CG1 3.92Å; L586-V663 HydrophobicContact CD1-CG2 4.37Å; R643-V663 PolarHBondContact N-O 3.02Å; R643-V663 PolarHBondContact O-N 2.9Å; F645-V663 HydrophobicContact CD2-CB 3.94Å; F645-V663 HydrophobicContact CD2-CG2 3.56Å; F645-V663 HydrophobicContact CE2-CB 3.71Å; F645-V663 HydrophobicContact CE2-CG2 3.77Å; F645-V663 HydrophobicContact CG-CG2 4.37Å; V663-I665 HydrophobicContact CB-CD1 4.3Å; V663-I665 HydrophobicContact CG1-CD1 3.89Å; V663-I665 PolarHBondContact O-N 3.43Å
664L93Very high86.9Confident84 Ų8453.1 Ų53.144%0.4427%0.269SS..EExtended strand (participates in β ladder)trans-82.6115.2174.7178.764.5000110.1S578 T579 S580 T666S578-L664 PolarHBondContact O-N 2.94Å; T579-L664 CarbonylContact C-O 3.57Å; T579-L664 VanDerWaalsContact CA-O 3.28Å; T579-L664 WeakPolarHBondContact CA-O 3.4Å; T579-L664 HydrophobicContact CG2-CB 4.3Å; S580-L664 PolarHBondContact N-O 3.5Å; L664-T666 HydrophobicContact CG-CG2 4.42Å
665I93.4Very high87Confident3 Ų356.8 Ų56.82%0.01529%0.287CS..EExtended strand (participates in β ladder)trans-94.1114.8177.9-49.5-53000110S580 V582 P637 K639 T640 G641 R643 F645 V663S580-I665 CarbonylContact O-C 3.54Å; S580-I665 WeakPolarHBondContact O-CA 2.86Å; V582-I665 HydrophobicContact CG2-CG2 3.66Å; P637-I665 HydrophobicContact CB-CD1 3.87Å; P637-I665 HydrophobicContact CB-CG1 3.94Å; P637-I665 HydrophobicContact CB-CG2 3.98Å; P637-I665 HydrophobicContact CG-CD1 3.76Å; P637-I665 HydrophobicContact CG-CG1 4.3Å; P637-I665 HydrophobicContact CG-CG2 4.04Å; K639-I665 WeakPolarHBondContact O-CG2 3.35Å; T640-I665 CarbonylContact C-O 3.52Å; T640-I665 WeakPolarHBondContact CA-O 3.33Å; G641-I665 PolarHBondContact N-O 3.5Å; G641-I665 PolarHBondContact O-N 3.14Å; R643-I665 HydrophobicContact CB-CG1 4.02Å; R643-I665 HydrophobicContact CG-CB 4.43Å; R643-I665 HydrophobicContact CG-CG1 3.58Å; F645-I665 HydrophobicContact CE2-CD1 4.42Å; V663-I665 HydrophobicContact CB-CD1 4.3Å; V663-I665 HydrophobicContact CG1-CD1 3.89Å; V663-I665 PolarHBondContact O-N 3.43Å
666T92.3Very high87.4Confident59 Ų5961.1 Ų61.136%0.36231%0.309SS..EExtended strand (participates in β ladder)trans-95.6170.817667.30000111.3S580 K581 V582 L664S580-T666 PolarHBondContact O-N 3.44Å; S580-T666 PolarHBondContact O-OG1 3.41Å; K581-T666 CarbonylContact C-O 3.54Å; K581-T666 WeakPolarHBondContact CA-O 3.22Å; K581-T666 WeakPolarHBondContact CG-OG1 3.48Å; V582-T666 PolarHBondContact N-O 3.01Å; L664-T666 HydrophobicContact CG-CG2 4.42Å
667K90.1Very high88.9Confident214 Ų21463.9 Ų63.993%0.9333%0.325SS*.  trans-63.70173.1-70-175.9-179.1178.80112.3T640T640-K667 HydrophobicContact CG2-CG 3.94Å

Retrieved 667 of 667 residues in 1688 ms (Link to these results)

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