A0A087Y0E3_POEFO Loading...

Histidine N-acetyltransferase

Enzyme responsible for the N-acetyl-histidine (NAH) synthesis, which is a major constituent of brain and lens of ectothermic vertebrates.

AlphaFold DB , UniProt , Accession A0A087Y0E3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 334 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
1M37.8Very low36.3Very low241 Ų241154.1 Ų154.1100%1.18780%0.802SS**  0107.80-157167.187.500106.1
2K26.5Very low38.5Very low205 Ų205146.9 Ų146.989%0.89177%0.765SS**  trans-72.3131.4-177.3-74.5-179.3175.9-1790108.1D4K2-D4 PolarHBondContact O-N 3.43Å
3I31.7Very low40.5Very low152 Ų152137.9 Ų137.978%0.77972%0.721SS**  trans-80.4111.2173.3-62.2171.3000105.7T5I3-T5 HydrophobicContact CG2-CG2 4.47Å; I3-T5 PolarHBondContact O-N 3.19Å; I3-T5 VanDerWaalsContact O-N 3.08Å
4D27Very low41.5Very low144 Ų144141.6 Ų141.677%0.7773%0.733SS**  trans-72.292170-97.5-41.7000108.7K2 N6K2-D4 PolarHBondContact O-N 3.43Å; D4-N6 VanDerWaalsContact C-N 3.25Å; D4-N6 PolarHBondContact O-N 3.08Å
5T32.8Very low42.3Very low125 Ų125134.9 Ų134.977%0.76771%0.706SS**  trans-80.775.8161.430.10000108.8I3I3-T5 HydrophobicContact CG2-CG2 4.47Å; I3-T5 PolarHBondContact O-N 3.19Å; I3-T5 VanDerWaalsContact O-N 3.08Å
6N29.8Very low42.9Very low132 Ų132129.6 Ų129.671%0.70668%0.682SS**  trans-127.773164.2-87.4-34.1000107.9D4 T8D4-N6 VanDerWaalsContact C-N 3.25Å; D4-N6 PolarHBondContact O-N 3.08Å; N6-T8 VanDerWaalsContact C-N 3.3Å; N6-T8 PolarHBondContact O-N 3.21Å
7L33.9Very low43.3Very low176 Ų176128.9 Ų128.992%0.92169%0.691SS**  trans-66.798.1159.7-84.2159.6000106.4I9L7-I9 PolarHBondContact O-N 3Å
8T35.7Very low43.8Very low129 Ų129132.5 Ų132.579%0.79170%0.703SS**PPolyproline II helixtrans-61.3116.9175.6-320000107.5N6 P10N6-T8 VanDerWaalsContact C-N 3.3Å; N6-T8 PolarHBondContact O-N 3.21Å; T8-P10 WeakPolarHBondContact O-CD 3.46Å
9I41.8Very low44.8Very low144 Ų144127.8 Ų127.874%0.73869%0.685SS**PPolyproline II helixtrans-55.4123.6169-62171.5000106.1L7 Q11L7-I9 PolarHBondContact O-N 3Å; I9-Q11 PolarHBondContact O-N 3.17Å
10P49.8Very low46.8Very low64 Ų64124.4 Ų124.442%0.41668%0.681SS.*PPolyproline II helixtrans-54.8128.6178.2-22.131.1000109.2T8 L12T8-P10 WeakPolarHBondContact O-CD 3.46Å; P10-L12 PolarHBondContact O-N 3.11Å; P10-L12 VanDerWaalsContact O-N 3.07Å
11Q53.1Low48.9Very low183 Ų183119.1 Ų119.186%0.85565%0.652SS**  trans-61.5115.9170.5-76.7-178.3-26.800107.7I9I9-Q11 PolarHBondContact O-N 3.17Å
12L62.2Low51.7Low68 Ų68113.4 Ų113.436%0.35662%0.622SS.*PPolyproline II helixtrans-63.7140.8175-69.9169.8000108.9P10 F23 V25 F110 L114P10-L12 PolarHBondContact O-N 3.11Å; P10-L12 VanDerWaalsContact O-N 3.07Å; L12-F23 WeakPolarHBondContact CD1-O 3.33Å; L12-V25 HydrophobicContact CD2-CG2 4.14Å; L12-F110 HydrophobicContact CB-CZ 4.09Å; L12-F110 HydrophobicContact CD2-CE1 4.17Å; L12-F110 HydrophobicContact CD2-CZ 3.85Å; L12-F110 HydrophobicContact CG-CZ 4.46Å; L12-L114 HydrophobicContact CD2-CD1 4.19Å; L12-L114 HydrophobicContact CD2-CD2 4.24Å
13P64.6Low55Low30 Ų30104.7 Ų104.720%0.19558%0.584CS.*PPolyproline II helixtrans-50.7146.7170-24.730.5000111.4A15 F110 E113 L114P13-A15 PolarHBondContact O-N 2.84Å; P13-A15 VanDerWaalsContact O-N 3.1Å; P13-F110 HydrophobicContact CB-CD2 4.31Å; P13-F110 HydrophobicContact CB-CE2 3.9Å; P13-F110 HydrophobicContact CG-CE2 4.06Å; P13-F110 HydrophobicContact CG-CZ 4.34Å; P13-F110 WeakPolarHBondContact O-CE2 3.35Å; P13-E113 HydrophobicContact CB-CB 4.47Å; P13-E113 HydrophobicContact CG-CB 4.13Å; P13-L114 HydrophobicContact CG-CB 4.07Å; P13-L114 HydrophobicContact CG-CD1 4.5Å
14E54.5Low58.1Low190 Ų19098.9 Ų98.989%0.88856%0.559SS**PPolyproline II helixtrans-62.4116.9169.1-75.1-171.416500108.6
15A54.1Low61.4Low40 Ų4095.2 Ų95.233%0.33154%0.542SS..PPolyproline II helixtrans-57136.8179.900000110P13 S17 F23P13-A15 PolarHBondContact O-N 2.84Å; P13-A15 VanDerWaalsContact O-N 3.1Å; A15-S17 PolarHBondContact O-N 3.41Å; A15-F23 HydrophobicContact CB-CD2 3.71Å; A15-F23 HydrophobicContact CB-CE2 3.87Å
16P51.4Low64.5Low50 Ų5089.5 Ų89.533%0.32551%0.507SS..  trans-57.9111.4171.415.9-24.5000109.2Q18 V106P16-Q18 PolarHBondContact O-N 2.74Å; P16-V106 HydrophobicContact CG-CG1 4.1Å
17S48.8Very low67.7Low119 Ų11986.2 Ų86.283%0.83249%0.492SS*.THydrogen-bonded Turntrans-60.5-3.8-171.657.60000114.9A15A15-S17 PolarHBondContact O-N 3.41Å
18Q52.4Low70.7Confident193 Ų19384.3 Ų84.390%0.90248%0.479SS*.THydrogen-bonded Turntrans-84.8-7.1-171.5-66.1-174.2-16.200114.9P16P16-Q18 PolarHBondContact O-N 2.74Å
19A62.7Low73.6Confident44 Ų4486.9 Ų86.936%0.36448%0.482SS..SBendtrans-119.4-3.7-174.400000116.1L21A19-L21 HydrophobicContact CB-CD1 4.06Å; A19-L21 HydrophobicContact CB-CG 3.84Å; A19-L21 PolarHBondContact O-N 3.2Å
20G84.9Confident76.2Confident58 Ų5880.9 Ų80.960%0.59845%0.451SS*.  trans62.520.7-175.300000113.9
21L92.4Very high78.4Confident15 Ų1580.9 Ų80.98%0.07944%0.444CS..  trans-93.7138.6178.1-59.6-176.7000110.1A19 F23 R67 K68 I73 V103 V106A19-L21 HydrophobicContact CB-CD1 4.06Å; A19-L21 HydrophobicContact CB-CG 3.84Å; A19-L21 PolarHBondContact O-N 3.2Å; L21-F23 HydrophobicContact CB-CE2 4.15Å; L21-F23 HydrophobicContact CB-CZ 3.91Å; L21-F23 HydrophobicContact CD1-CZ 4.12Å; L21-R67 WeakPolarHBondContact CA-O 3.45Å; L21-K68 HydrophobicContact CD2-CB 4.25Å; L21-I73 HydrophobicContact CD2-CD1 3.6Å; L21-V103 HydrophobicContact CD1-CG1 4.31Å; L21-V106 HydrophobicContact CD1-CB 4.15Å; L21-V106 HydrophobicContact CD1-CG1 4.12Å
22Q94.8Very high80.4Confident121 Ų12178.3 Ų78.357%0.56544%0.437SS*.EExtended strand (participates in β ladder)trans-111.1139.1169.6-65171.9-3.600108A66 R67Q22-A66 CarbonylContact O-C 3.56Å; Q22-A66 WeakPolarHBondContact O-CA 3.44Å; Q22-R67 HydrophobicContact CB-CB 4.3Å; Q22-R67 PolarHBondContact N-O 3.18Å; Q22-R67 PolarHBondContact O-N 3.42Å
23F96.1Very high82Confident22 Ų2278 Ų7810%0.09643%0.434CS..EExtended strand (participates in β ladder)trans-111.8143.2178.9-59.6-78.8000110.3L12 A15 L21 I64 L65 A66 V106 L107 F110L12-F23 WeakPolarHBondContact CD1-O 3.33Å; A15-F23 HydrophobicContact CB-CD2 3.71Å; A15-F23 HydrophobicContact CB-CE2 3.87Å; L21-F23 HydrophobicContact CB-CE2 4.15Å; L21-F23 HydrophobicContact CB-CZ 3.91Å; L21-F23 HydrophobicContact CD1-CZ 4.12Å; F23-I64 HydrophobicContact CB-CG2 4.41Å; F23-I64 HydrophobicContact CD1-CG2 4.33Å; F23-L65 VanDerWaalsContact CA-O 3.29Å; F23-L65 WeakPolarHBondContact CA-O 3.42Å; F23-A66 HydrophobicContact CD1-CB 4.02Å; F23-A66 HydrophobicContact CE1-CB 3.75Å; F23-V106 HydrophobicContact CE2-CG1 4.49Å; F23-V106 HydrophobicContact CZ-CG1 3.85Å; F23-L107 HydrophobicContact CD1-CD1 3.82Å; F23-L107 HydrophobicContact CE1-CB 4.33Å; F23-L107 HydrophobicContact CE1-CD1 3.8Å; F23-F110 HydrophobicContact CB-CD1 3.84Å; F23-F110 HydrophobicContact CB-CD2 4.07Å; F23-F110 HydrophobicContact CB-CE1 3.47Å; F23-F110 VanDerWaalsContact CB-CE1 3.47Å; F23-F110 HydrophobicContact CB-CE2 3.7Å; F23-F110 HydrophobicContact CB-CG 4.12Å; F23-F110 HydrophobicContact CB-CZ 3.38Å; F23-F110 HydrophobicContact CD1-CB 4.28Å; F23-F110 AromaticContact CD1-CD1 3.99Å; F23-F110 HydrophobicContact CD1-CD1 3.99Å; F23-F110 HydrophobicContact CD1-CD2 4.46Å; F23-F110 HydrophobicContact CD1-CE1 4.47Å; F23-F110 AromaticContact CD1-CG 3.97Å; F23-F110 HydrophobicContact CD1-CG 3.97Å; F23-F110 HydrophobicContact CD2-CB 4.31Å; F23-F110 HydrophobicContact CD2-CD1 4.33Å; F23-F110 AromaticContact CD2-CD2 3.4Å; F23-F110 HydrophobicContact CD2-CD2 3.4Å; F23-F110 VanDerWaalsContact CD2-CD2 3.4Å; F23-F110 AromaticContact CD2-CE2 3.68Å; F23-F110 HydrophobicContact CD2-CE2 3.68Å; F23-F110 AromaticContact CD2-CG 3.74Å; F23-F110 HydrophobicContact CD2-CG 3.74Å; F23-F110 HydrophobicContact CD2-CZ 4.26Å; F23-F110 HydrophobicContact CE1-CB 4.2Å; F23-F110 HydrophobicContact CE1-CG 4.35Å; F23-F110 HydrophobicContact CE2-CB 4.23Å; F23-F110 AromaticContact CE2-CD2 3.94Å; F23-F110 HydrophobicContact CE2-CD2 3.94Å; F23-F110 HydrophobicContact CE2-CG 4.15Å; F23-F110 HydrophobicContact CG-CB 4.35Å; F23-F110 AromaticContact CG-CD1 3.78Å; F23-F110 HydrophobicContact CG-CD1 3.78Å; F23-F110 AromaticContact CG-CD2 3.72Å; F23-F110 HydrophobicContact CG-CD2 3.72Å; F23-F110 AromaticContact CG-CE1 3.95Å; F23-F110 HydrophobicContact CG-CE1 3.95Å; F23-F110 AromaticContact CG-CE2 3.87Å; F23-F110 HydrophobicContact CG-CE2 3.87Å; F23-F110 AromaticContact CG-CG 3.66Å; F23-F110 HydrophobicContact CG-CG 3.66Å; F23-F110 AromaticContact CG-CZ 3.98Å; F23-F110 HydrophobicContact CG-CZ 3.98Å; F23-F110 HydrophobicContact CZ-CB 4.18Å; F23-F110 HydrophobicContact CZ-CG 4.45Å
24A96.4Very high83.4Confident30 Ų3076.6 Ų76.625%0.24842%0.424CS..EExtended strand (participates in β ladder)trans-145152177.300000110.6I64 L65A24-I64 WeakPolarHBondContact O-CA 3.27Å; A24-L65 PolarHBondContact N-O 3.38Å; A24-L65 VanDerWaalsContact N-O 3.08Å; A24-L65 PolarHBondContact O-N 3.36Å
25V97.3Very high85.3Confident66 Ų6669.2 Ų69.240%0.439%0.39SS..EExtended strand (participates in β ladder)trans-73.1131.9166.5-178.60000107.9L12 T62 V63 I64L12-V25 HydrophobicContact CD2-CG2 4.14Å; V25-T62 HydrophobicContact CG1-CG2 4.04Å; V25-T62 HydrophobicContact CG2-CG2 4.11Å; V25-V63 WeakPolarHBondContact CA-O 3.15Å; V25-I64 HydrophobicContact CG2-CD1 4.07Å
26A97.7Very high87.1Confident6 Ų670.9 Ų70.95%0.0540%0.404CS..  trans-69.9148.7-179.900000111.5Y52 L56 V63 L65A26-Y52 HydrophobicContact CB-CE2 4.4Å; A26-Y52 VanDerWaalsContact CB-OH 3.28Å; A26-Y52 WeakPolarHBondContact CB-OH 3.46Å; A26-L56 HydrophobicContact CB-CD2 4.42Å; A26-V63 HydrophobicContact CB-CB 3.82Å; A26-V63 HydrophobicContact CB-CG1 3.67Å; A26-V63 PolarHBondContact N-O 3.28Å; A26-L65 HydrophobicContact CB-CD1 3.83Å; A26-L65 HydrophobicContact CB-CD2 3.89Å; A26-L65 HydrophobicContact CB-CG 3.69Å
27T97.2Very high88.9Confident63 Ų6369.2 Ų69.239%0.38739%0.392SS..  trans-130.5172.7179.9680000110.2E29 D30 Y52T27-E29 PolarHBondContact O-N 3.1Å; T27-E29 PolarHBondContact OG1-N 3.39Å; T27-D30 PolarHBondContact N-OD2 2.65Å; T27-D30 PolarHBondContact O-N 3.41Å; T27-D30 PolarHBondContact OG1-OD2 3.07Å; T27-Y52 WeakPolarHBondContact O-CE1 3.43Å; T27-Y52 PolarHBondContact O-OH 3.22Å
28E96Very high90.6Very high136 Ų13663.8 Ų63.864%0.63635%0.354SS*.G310 helixtrans-60-31.4175.4-65.6-177.3176.700112.3D30 F31 L56E28-D30 PolarHBondContact O-N 2.95Å; E28-F31 WeakPolarHBondContact O-CB 3.44Å; E28-F31 PolarHBondContact O-N 3.34Å; E28-L56 HydrophobicContact CG-CD1 3.8Å
29E96.7Very high92Very high183 Ų18362 Ų6286%0.85534%0.343SS*.G310 helixtrans-66.6-21.8179.7-60.6-177.217900113.1T27 F31T27-E29 PolarHBondContact O-N 3.1Å; T27-E29 PolarHBondContact OG1-N 3.39Å; E29-F31 VanDerWaalsContact C-N 3.3Å; E29-F31 PolarHBondContact O-N 3.25Å
30D96.8Very high92.9Very high18 Ų1865.8 Ų65.810%0.09636%0.357CS..G310 helixtrans-81.4-8.7-179.5-58.5-70000113.1T27 E28 D32 E33 I34 L65 R67T27-D30 PolarHBondContact N-OD2 2.65Å; T27-D30 PolarHBondContact O-N 3.41Å; T27-D30 PolarHBondContact OG1-OD2 3.07Å; E28-D30 PolarHBondContact O-N 2.95Å; D30-D32 PolarHBondContact O-N 3.1Å; D30-E33 PolarHBondContact O-N 3.07Å; D30-I34 HydrophobicContact CB-CD1 3.73Å; D30-I34 HydrophobicContact CB-CG1 4.33Å; D30-I34 WeakPolarHBondContact O-CD1 3.2Å; D30-I34 VanDerWaalsContact O-CG1 3.26Å; D30-I34 WeakPolarHBondContact O-CG1 3.09Å; D30-I34 PolarHBondContact O-N 2.51Å; D30-L65 HydrophobicContact CB-CD1 3.64Å; D30-R67 IonicContact OD1-CZ 3.37Å; D30-R67 IonicContact OD1-NH2 3.81Å; D30-R67 PolarHBondContact OD1-NH2 3.36Å
31F96Very high92.9Very high63 Ų6364 Ų6428%0.27633%0.334SS..Hα-helixtrans-53.2-53.4-170.4180-95.4000112.7E28 E29 E33 I34 M35 P49 Y52E28-F31 WeakPolarHBondContact O-CB 3.44Å; E28-F31 PolarHBondContact O-N 3.34Å; E29-F31 VanDerWaalsContact C-N 3.3Å; E29-F31 PolarHBondContact O-N 3.25Å; F31-E33 VanDerWaalsContact C-N 3.3Å; F31-E33 PolarHBondContact O-N 2.78Å; F31-I34 PolarHBondContact O-N 3.17Å; F31-M35 HydrophobicContact CD1-CG 4.06Å; F31-M35 HydrophobicContact CD2-CE 3.89Å; F31-M35 HydrophobicContact CD2-CG 4.35Å; F31-M35 HydrophobicContact CE1-CG 3.7Å; F31-M35 HydrophobicContact CE2-CE 3.75Å; F31-M35 HydrophobicContact CE2-CG 4.05Å; F31-M35 HydrophobicContact CE2-SD 4.28Å; F31-M35 HydrophobicContact CG-CG 4.38Å; F31-M35 HydrophobicContact CZ-CE 4.32Å; F31-M35 HydrophobicContact CZ-CG 3.71Å; F31-M35 HydrophobicContact CZ-SD 4.28Å; F31-M35 VanDerWaalsContact O-CG 3.32Å; F31-M35 WeakPolarHBondContact O-CG 3.05Å; F31-M35 PolarHBondContact O-N 3.43Å; F31-P49 HydrophobicContact CZ-CB 4.45Å; F31-Y52 HydrophobicContact CB-CD1 4.39Å; F31-Y52 HydrophobicContact CB-CE1 4.16Å; F31-Y52 AromaticContact CD2-CD1 3.55Å; F31-Y52 HydrophobicContact CD2-CD1 3.55Å; F31-Y52 HydrophobicContact CD2-CE1 4.16Å; F31-Y52 HydrophobicContact CD2-CG 4.07Å; F31-Y52 HydrophobicContact CE2-CD1 4.37Å; F31-Y52 HydrophobicContact CG-CD1 4.45Å
32D95.3Very high92.7Very high130 Ų13068.9 Ų68.970%0.69535%0.352SS*.Hα-helixtrans-62.2-38.7-176.2-72.5-22.5000112D30 M35 A36D30-D32 PolarHBondContact O-N 3.1Å; D32-M35 PolarHBondContact O-N 2.9Å; D32-A36 WeakPolarHBondContact O-CB 3.43Å; D32-A36 PolarHBondContact O-N 3.27Å
33E95.1Very high92.2Very high62 Ų6266.1 Ų66.129%0.2936%0.356SS..Hα-helixtrans-69.3-40.6179.6-158.5178-178.700111.4D30 F31 A36 M37 R67 K71 V72D30-E33 PolarHBondContact O-N 3.07Å; F31-E33 VanDerWaalsContact C-N 3.3Å; F31-E33 PolarHBondContact O-N 2.78Å; E33-A36 PolarHBondContact O-N 3.09Å; E33-M37 PolarHBondContact O-N 2.7Å; E33-M37 VanDerWaalsContact O-N 3.09Å; E33-R67 IonicContact OE1-NH1 3.45Å; E33-R67 IonicContact OE2-CZ 2.78Å; E33-R67 IonicContact OE2-NH1 3.77Å; E33-R67 PolarHBondContact OE2-NH1 3.05Å; E33-R67 IonicContact OE2-NH2 3.01Å; E33-R67 PolarHBondContact OE2-NH2 3.22Å; E33-R67 VanDerWaalsContact OE2-NH2 3.08Å; E33-K71 WeakPolarHBondContact OE1-CA 3.31Å; E33-V72 HydrophobicContact CB-CG2 4.35Å; E33-V72 HydrophobicContact CG-CB 3.92Å; E33-V72 HydrophobicContact CG-CG2 4.07Å; E33-V72 PolarHBondContact OE1-N 2.94Å; E33-V72 WeakPolarHBondContact OE2-CG2 3.4Å
34I95.2Very high91.8Very high0 Ų065.5 Ų65.50%036%0.356CS..Hα-helixtrans-63.1-46174.3-66160.4000110.4D30 F31 A36 M37 S38 L48 Y52 L65 V72 L75D30-I34 HydrophobicContact CB-CD1 3.73Å; D30-I34 HydrophobicContact CB-CG1 4.33Å; D30-I34 WeakPolarHBondContact O-CD1 3.2Å; D30-I34 VanDerWaalsContact O-CG1 3.26Å; D30-I34 WeakPolarHBondContact O-CG1 3.09Å; D30-I34 PolarHBondContact O-N 2.51Å; F31-I34 PolarHBondContact O-N 3.17Å; I34-A36 VanDerWaalsContact C-N 3.34Å; I34-A36 PolarHBondContact O-N 3.49Å; I34-M37 WeakPolarHBondContact O-CB 3.49Å; I34-M37 PolarHBondContact O-N 3.49Å; I34-S38 WeakPolarHBondContact O-CB 3.33Å; I34-S38 PolarHBondContact O-N 3.47Å; I34-S38 PolarHBondContact O-OG 2.86Å; I34-L48 HydrophobicContact CG2-CD2 3.82Å; I34-Y52 HydrophobicContact CD1-CE2 3.57Å; I34-Y52 VanDerWaalsContact CD1-OH 3.28Å; I34-Y52 WeakPolarHBondContact CD1-OH 3.33Å; I34-L65 HydrophobicContact CD1-CD1 4.41Å; I34-L65 HydrophobicContact CD1-CD2 3.81Å; I34-L65 HydrophobicContact CG1-CD2 3.95Å; I34-V72 HydrophobicContact CG1-CG1 4.4Å; I34-L75 HydrophobicContact CB-CD1 4.42Å; I34-L75 HydrophobicContact CD1-CD1 3.71Å; I34-L75 HydrophobicContact CG1-CD1 3.93Å; I34-L75 HydrophobicContact CG2-CD1 3.57Å
35M93.5Very high91.5Very high35 Ų3565.3 Ų65.317%0.17235%0.35CS..Hα-helixtrans-65.5-38.6179.8-65.4-44.9123.700111.6F31 D32 M37 S38 K39 L48 P49F31-M35 HydrophobicContact CD1-CG 4.06Å; F31-M35 HydrophobicContact CD2-CE 3.89Å; F31-M35 HydrophobicContact CD2-CG 4.35Å; F31-M35 HydrophobicContact CE1-CG 3.7Å; F31-M35 HydrophobicContact CE2-CE 3.75Å; F31-M35 HydrophobicContact CE2-CG 4.05Å; F31-M35 HydrophobicContact CE2-SD 4.28Å; F31-M35 HydrophobicContact CG-CG 4.38Å; F31-M35 HydrophobicContact CZ-CE 4.32Å; F31-M35 HydrophobicContact CZ-CG 3.71Å; F31-M35 HydrophobicContact CZ-SD 4.28Å; F31-M35 VanDerWaalsContact O-CG 3.32Å; F31-M35 WeakPolarHBondContact O-CG 3.05Å; F31-M35 PolarHBondContact O-N 3.43Å; D32-M35 PolarHBondContact O-N 2.9Å; M35-M37 VanDerWaalsContact C-N 3.34Å; M35-M37 PolarHBondContact O-N 3.45Å; M35-S38 CarbonylContact O-C 3.56Å; M35-S38 PolarHBondContact O-N 2.94Å; M35-K39 PolarHBondContact O-N 3.33Å; M35-L48 HydrophobicContact CE-CD2 4.01Å; M35-L48 HydrophobicContact CE-CG 4.03Å; M35-P49 HydrophobicContact SD-CB 4.22Å; M35-P49 HydrophobicContact SD-CG 3.65Å
36A91.8Very high91.3Very high74 Ų7462.5 Ų62.561%0.61233%0.333SS*.Hα-helixtrans-60.7-41.2174.200000112.4D32 E33 I34 S38D32-A36 WeakPolarHBondContact O-CB 3.43Å; D32-A36 PolarHBondContact O-N 3.27Å; E33-A36 PolarHBondContact O-N 3.09Å; I34-A36 VanDerWaalsContact C-N 3.34Å; I34-A36 PolarHBondContact O-N 3.49Å; A36-S38 PolarHBondContact O-N 2.94Å
37M90.2Very high91.1Very high15 Ų1564.2 Ų64.27%0.07434%0.339CS..Hα-helixtrans-65.1-28.9173.9179.4-176.261.500112.7E33 I34 M35 V72 I73 A74 L75 R93 A95E33-M37 PolarHBondContact O-N 2.7Å; E33-M37 VanDerWaalsContact O-N 3.09Å; I34-M37 WeakPolarHBondContact O-CB 3.49Å; I34-M37 PolarHBondContact O-N 3.49Å; M35-M37 VanDerWaalsContact C-N 3.34Å; M35-M37 PolarHBondContact O-N 3.45Å; M37-V72 HydrophobicContact CE-CG1 4.09Å; M37-V72 HydrophobicContact SD-CG1 4.18Å; M37-I73 VanDerWaalsContact SD-O 3.33Å; M37-A74 PolarHBondContact SD-N 2.85Å; M37-L75 HydrophobicContact CE-CB 4.01Å; M37-R93 HydrophobicContact CE-CB 3.71Å; M37-A95 HydrophobicContact CG-CB 3.84Å; M37-A95 HydrophobicContact SD-CB 4.11Å
38S83.8Confident91Very high6 Ų661.2 Ų61.24%0.04232%0.32CS..THydrogen-bonded Turntrans-92.45.1-172.9-51.80000113.7I34 M35 A36 D40 I41 R93I34-S38 WeakPolarHBondContact O-CB 3.33Å; I34-S38 PolarHBondContact O-N 3.47Å; I34-S38 PolarHBondContact O-OG 2.86Å; M35-S38 CarbonylContact O-C 3.56Å; M35-S38 PolarHBondContact O-N 2.94Å; A36-S38 PolarHBondContact O-N 2.94Å; S38-D40 PolarHBondContact O-N 3.39Å; S38-I41 VanDerWaalsContact O-CB 3.24Å; S38-I41 WeakPolarHBondContact O-CB 3.48Å; S38-I41 WeakPolarHBondContact O-CG2 3.35Å; S38-I41 PolarHBondContact O-N 2.9Å; S38-R93 VanDerWaalsContact OG-CD 3.32Å; S38-R93 WeakPolarHBondContact OG-CD 3.25Å; S38-R93 PolarHBondContact OG-NH1 3.02Å
39K83.1Confident90.8Very high156 Ų15656.9 Ų56.968%0.67830%0.304SS*.THydrogen-bonded Turntrans-53.6131.7-178.5-170.3178.3175.61780111M35 I41M35-K39 PolarHBondContact O-N 3.33Å; K39-I41 PolarHBondContact O-N 3.16Å
40D80.7Confident90.6Very high122 Ų12251.4 Ų51.465%0.65228%0.283SS*.THydrogen-bonded Turntrans62.414.1-179.7-50.4-41.3000115.4S38 Y42 G43S38-D40 PolarHBondContact O-N 3.39Å; D40-Y42 PolarHBondContact O-N 2.67Å; D40-G43 PolarHBondContact O-N 2.85Å
41I85.9Confident90.4Very high22 Ų2253.5 Ų53.511%0.11329%0.29CS..G310 helixtrans-60.7139.7174.4-156.9170.8000110.4S38 K39 G43 G44 D46 R93S38-I41 VanDerWaalsContact O-CB 3.24Å; S38-I41 WeakPolarHBondContact O-CB 3.48Å; S38-I41 WeakPolarHBondContact O-CG2 3.35Å; S38-I41 PolarHBondContact O-N 2.9Å; K39-I41 PolarHBondContact O-N 3.16Å; I41-G43 PolarHBondContact O-N 2.78Å; I41-G43 VanDerWaalsContact O-N 3.09Å; I41-G44 PolarHBondContact O-N 3.01Å; I41-D46 HydrophobicContact CG2-CB 3.53Å; I41-D46 VanDerWaalsContact CG2-OD2 3.27Å; I41-D46 WeakPolarHBondContact CG2-OD2 3.36Å; I41-R93 HydrophobicContact CD1-CG 3.74Å
42Y86.4Confident90.4Very high117 Ų11750.6 Ų50.646%0.45928%0.277SS..G310 helixtrans53.828.2-177.3-47.8-57.6000114.5D40 G44 L45 Y47D40-Y42 PolarHBondContact O-N 2.67Å; Y42-G44 VanDerWaalsContact C-N 3.26Å; Y42-G44 PolarHBondContact O-N 3.37Å; Y42-L45 PolarHBondContact O-N 2.82Å; Y42-Y47 HydrophobicContact CE2-CE1 4.16Å
43G84.7Confident90.4Very high62 Ų6247.9 Ų47.964%0.63927%0.265SS*.G310 helixtrans6827.7-176.200000113D40 I41 I255D40-G43 PolarHBondContact O-N 2.85Å; I41-G43 PolarHBondContact O-N 2.78Å; I41-G43 VanDerWaalsContact O-N 3.09Å; G43-I255 WeakPolarHBondContact O-CG2 3.38Å
44G87.7Confident90.3Very high10 Ų1047.2 Ų47.210%0.10327%0.267CS..G310 helixtrans83.910.9-179.500000114.7I41 Y42 D46 P254 I255I41-G44 PolarHBondContact O-N 3.01Å; Y42-G44 VanDerWaalsContact C-N 3.26Å; Y42-G44 PolarHBondContact O-N 3.37Å; G44-D46 PolarHBondContact O-N 2.85Å; G44-P254 WeakPolarHBondContact O-CD 3.24Å; G44-P254 VanDerWaalsContact O-CG 3.24Å; G44-P254 WeakPolarHBondContact O-CG 3.44Å; G44-I255 VanDerWaalsContact CA-CG2 3.47Å; G44-I255 WeakPolarHBondContact O-CG2 3.46Å; G44-I255 PolarHBondContact O-N 2.83Å; G44-I255 VanDerWaalsContact O-N 3.09Å
45L90.8Very high90.3Very high25 Ų2547.6 Ų47.613%0.13127%0.269CS..  trans-87.829.6176-58.6169.7000111.8Y42 Y47 L151 V253 I255 Y261 M294Y42-L45 PolarHBondContact O-N 2.82Å; L45-Y47 PolarHBondContact O-N 2.77Å; L45-L151 HydrophobicContact CD1-CD2 4.49Å; L45-V253 HydrophobicContact CD2-CG2 4.36Å; L45-I255 HydrophobicContact CD2-CD1 3.48Å; L45-I255 VanDerWaalsContact CD2-CD1 3.48Å; L45-I255 HydrophobicContact CD2-CG1 4.18Å; L45-I255 HydrophobicContact CD2-CG2 4.45Å; L45-Y261 HydrophobicContact CB-CD2 4.31Å; L45-Y261 HydrophobicContact CB-CE2 4.04Å; L45-Y261 HydrophobicContact CD1-CE2 4.11Å; L45-Y261 HydrophobicContact CD2-CD2 4Å; L45-Y261 HydrophobicContact CD2-CE2 4.09Å; L45-Y261 HydrophobicContact CG-CE2 4.3Å; L45-M294 HydrophobicContact CD1-CE 4.14Å; L45-M294 HydrophobicContact CD1-CG 4.29Å; L45-M294 HydrophobicContact CD2-CB 4.3Å; L45-M294 HydrophobicContact CD2-CE 3.92Å; L45-M294 HydrophobicContact CD2-CG 4.06Å
46D93.1Very high90.4Very high7 Ų748.4 Ų48.44%0.03727%0.273CS..  trans-67.2125.1-173-165.4-0.4000111.7I41 G44 L48 R93 P254I41-D46 HydrophobicContact CG2-CB 3.53Å; I41-D46 VanDerWaalsContact CG2-OD2 3.27Å; I41-D46 WeakPolarHBondContact CG2-OD2 3.36Å; G44-D46 PolarHBondContact O-N 2.85Å; D46-L48 PolarHBondContact OD1-N 2.81Å; D46-R93 IonicContact OD1-CZ 3.47Å; D46-R93 IonicContact OD1-NH1 3.4Å; D46-R93 IonicContact OD1-NH2 3.66Å; D46-R93 PolarHBondContact OD1-NH2 2.77Å; D46-R93 IonicContact OD2-CZ 3.31Å; D46-R93 IonicContact OD2-NH1 2.78Å; D46-R93 PolarHBondContact OD2-NH1 2.95Å; D46-R93 IonicContact OD2-NH2 2.97Å; D46-R93 PolarHBondContact OD2-NH2 2.91Å; D46-P254 HydrophobicContact CB-CG 3.95Å; D46-P254 VanDerWaalsContact O-CD 3.31Å; D46-P254 WeakPolarHBondContact O-CD 3.5Å
47Y93.5Very high90.5Very high43 Ų4351.8 Ų51.817%0.16928%0.276CS..  trans-88.8-22.6177.664.7-97.2000113Y42 L45 P49 T50 R51 W55 G91Y42-Y47 HydrophobicContact CE2-CE1 4.16Å; L45-Y47 PolarHBondContact O-N 2.77Å; Y47-P49 VanDerWaalsContact C-CD 3.44Å; Y47-T50 PolarHBondContact O-N 3.21Å; Y47-T50 VanDerWaalsContact O-N 3.09Å; Y47-R51 HydrophobicContact CD2-CB 4.47Å; Y47-R51 HydrophobicContact CD2-CG 3.89Å; Y47-R51 WeakPolarHBondContact O-CG 3.3Å; Y47-R51 PolarHBondContact O-N 3.11Å; Y47-W55 AromaticContact CE2-CH2 3.8Å; Y47-W55 HydrophobicContact CE2-CH2 3.8Å; Y47-W55 AromaticContact CE2-CZ2 3.84Å; Y47-W55 HydrophobicContact CE2-CZ2 3.84Å; Y47-G91 WeakPolarHBondContact OH-CA 3.49Å; Y47-G91 PolarHBondContact OH-N 3.41Å
48L94.5Very high90.7Very high0 Ų053.4 Ų53.40%028%0.284CS..Hα-helixtrans-61.8-37-172.2-175.165000114.1I34 M35 D46 T50 R51 Y52 W55 L75 R93I34-L48 HydrophobicContact CG2-CD2 3.82Å; M35-L48 HydrophobicContact CE-CD2 4.01Å; M35-L48 HydrophobicContact CE-CG 4.03Å; D46-L48 PolarHBondContact OD1-N 2.81Å; L48-T50 PolarHBondContact O-N 2.66Å; L48-T50 VanDerWaalsContact O-N 3.1Å; L48-R51 PolarHBondContact O-N 2.85Å; L48-Y52 HydrophobicContact CD1-CD2 4.17Å; L48-Y52 HydrophobicContact CG-CD2 4.39Å; L48-Y52 WeakPolarHBondContact O-CB 3.42Å; L48-Y52 PolarHBondContact O-N 3.25Å; L48-W55 HydrophobicContact CD1-CD2 4.2Å; L48-W55 HydrophobicContact CD1-CE3 3.49Å; L48-W55 VanDerWaalsContact CD1-CE3 3.49Å; L48-W55 HydrophobicContact CD1-CH2 3.85Å; L48-W55 HydrophobicContact CD1-CZ2 4.49Å; L48-W55 HydrophobicContact CD1-CZ3 3.3Å; L48-L75 HydrophobicContact CD2-CD1 4.09Å; L48-L75 HydrophobicContact CD2-CD2 4.32Å; L48-R93 VanDerWaalsContact CD2-NH1 3.32Å
49P93.1Very high91.1Very high44 Ų4458 Ų5829%0.28632%0.316SS..Hα-helixtrans-50.8-37.8174.6-25.430.4000113F31 M35 Y47F31-P49 HydrophobicContact CZ-CB 4.45Å; M35-P49 HydrophobicContact SD-CB 4.22Å; M35-P49 HydrophobicContact SD-CG 3.65Å; Y47-P49 VanDerWaalsContact C-CD 3.44Å
50T92.1Very high91.7Very high68 Ų6852.1 Ų52.142%0.41729%0.292SS..Hα-helixtrans-82.2-24.7-179.7-57.20000113Y47 L48 F251 K252Y47-T50 PolarHBondContact O-N 3.21Å; Y47-T50 VanDerWaalsContact O-N 3.09Å; L48-T50 PolarHBondContact O-N 2.66Å; L48-T50 VanDerWaalsContact O-N 3.1Å; T50-F251 HydrophobicContact CG2-CB 4.04Å; T50-K252 PolarHBondContact OG1-O 2.69Å
51R92.9Very high92.4Very high63 Ų6346.9 Ų46.924%0.23826%0.263CS..Hα-helixtrans-98.8-21.7-175.5-60.1-59-166.1-168.82.3114.2Y47 L48 T53 S54 W55 D212Y47-R51 HydrophobicContact CD2-CB 4.47Å; Y47-R51 HydrophobicContact CD2-CG 3.89Å; Y47-R51 WeakPolarHBondContact O-CG 3.3Å; Y47-R51 PolarHBondContact O-N 3.11Å; L48-R51 PolarHBondContact O-N 2.85Å; R51-T53 PolarHBondContact O-N 2.74Å; R51-S54 PolarHBondContact O-N 3.26Å; R51-S54 PolarHBondContact O-OG 3.48Å; R51-W55 HydrophobicContact CB-CD2 4.42Å; R51-W55 HydrophobicContact CB-CZ2 4.45Å; R51-W55 PolarHBondContact O-N 2.97Å; R51-D212 IonicContact CZ-OD2 3.61Å; R51-D212 IonicContact NE-OD2 3.11Å; R51-D212 IonicContact NH2-OD2 3.19Å; R51-D212 PolarHBondContact NH2-OD2 3.33Å
52Y95.3Very high93Very high2 Ų247.2 Ų47.21%0.00827%0.266CS..Hα-helixtrans-56.8-48.4-167-173.9-107.7000113.2A26 T27 F31 I34 L48 S54 W55 L56 V63 L75A26-Y52 HydrophobicContact CB-CE2 4.4Å; A26-Y52 VanDerWaalsContact CB-OH 3.28Å; A26-Y52 WeakPolarHBondContact CB-OH 3.46Å; T27-Y52 WeakPolarHBondContact O-CE1 3.43Å; T27-Y52 PolarHBondContact O-OH 3.22Å; F31-Y52 HydrophobicContact CB-CD1 4.39Å; F31-Y52 HydrophobicContact CB-CE1 4.16Å; F31-Y52 AromaticContact CD2-CD1 3.55Å; F31-Y52 HydrophobicContact CD2-CD1 3.55Å; F31-Y52 HydrophobicContact CD2-CE1 4.16Å; F31-Y52 HydrophobicContact CD2-CG 4.07Å; F31-Y52 HydrophobicContact CE2-CD1 4.37Å; F31-Y52 HydrophobicContact CG-CD1 4.45Å; I34-Y52 HydrophobicContact CD1-CE2 3.57Å; I34-Y52 VanDerWaalsContact CD1-OH 3.28Å; I34-Y52 WeakPolarHBondContact CD1-OH 3.33Å; L48-Y52 HydrophobicContact CD1-CD2 4.17Å; L48-Y52 HydrophobicContact CG-CD2 4.39Å; L48-Y52 WeakPolarHBondContact O-CB 3.42Å; L48-Y52 PolarHBondContact O-N 3.25Å; Y52-S54 PolarHBondContact O-N 2.95Å; Y52-W55 WeakPolarHBondContact O-CB 3.29Å; Y52-W55 PolarHBondContact O-N 3.09Å; Y52-L56 HydrophobicContact CD1-CD1 4.15Å; Y52-L56 HydrophobicContact CE1-CD1 3.63Å; Y52-L56 HydrophobicContact CE1-CG 4.26Å; Y52-L56 HydrophobicContact CE2-CD2 4.4Å; Y52-L56 WeakPolarHBondContact O-CG 3.44Å; Y52-L56 PolarHBondContact O-N 2.91Å; Y52-L56 VanDerWaalsContact O-N 3.16Å; Y52-V63 HydrophobicContact CE2-CG1 4.37Å; Y52-L75 HydrophobicContact CE2-CD1 4.45Å
53T94.3Very high93.5Very high72 Ų7241.8 Ų41.844%0.44225%0.245SC..Hα-helixtrans-63.2-41.1-179.3-57.20000112.2R51 W55 L56 Q57R51-T53 PolarHBondContact O-N 2.74Å; T53-W55 VanDerWaalsContact C-N 3.33Å; T53-L56 PolarHBondContact O-N 2.97Å; T53-Q57 WeakPolarHBondContact O-CG 3.43Å
54S93.2Very high94.2Very high48 Ų4838.9 Ų38.934%0.33622%0.215SC..Hα-helixtrans-68-36.9177.666.90000111.4R51 Y52 L56 Q57 E58R51-S54 PolarHBondContact O-N 3.26Å; R51-S54 PolarHBondContact O-OG 3.48Å; Y52-S54 PolarHBondContact O-N 2.95Å; S54-L56 VanDerWaalsContact C-N 3.29Å; S54-L56 PolarHBondContact O-N 2.75Å; S54-Q57 PolarHBondContact O-N 2.94Å; S54-E58 PolarHBondContact O-N 3.17Å
55W95.5Very high94.7Very high9 Ų938.4 Ų38.43%0.03421%0.21CC..Hα-helixtrans-59.4-38.1175.7-787.2000113Y47 L48 R51 Y52 T53 Q57 E58 R61 V63 E90Y47-W55 AromaticContact CE2-CH2 3.8Å; Y47-W55 HydrophobicContact CE2-CH2 3.8Å; Y47-W55 AromaticContact CE2-CZ2 3.84Å; Y47-W55 HydrophobicContact CE2-CZ2 3.84Å; L48-W55 HydrophobicContact CD1-CD2 4.2Å; L48-W55 HydrophobicContact CD1-CE3 3.49Å; L48-W55 VanDerWaalsContact CD1-CE3 3.49Å; L48-W55 HydrophobicContact CD1-CH2 3.85Å; L48-W55 HydrophobicContact CD1-CZ2 4.49Å; L48-W55 HydrophobicContact CD1-CZ3 3.3Å; R51-W55 HydrophobicContact CB-CD2 4.42Å; R51-W55 HydrophobicContact CB-CZ2 4.45Å; R51-W55 PolarHBondContact O-N 2.97Å; Y52-W55 WeakPolarHBondContact O-CB 3.29Å; Y52-W55 PolarHBondContact O-N 3.09Å; T53-W55 VanDerWaalsContact C-N 3.33Å; W55-Q57 PolarHBondContact O-N 3.23Å; W55-E58 PolarHBondContact O-N 3Å; W55-R61 VanDerWaalsContact CB-CD 3.42Å; W55-R61 VanDerWaalsContact CG-CD 3.49Å; W55-R61 WeakPolarHBondContact O-CD 3.34Å; W55-V63 HydrophobicContact CB-CG2 4.22Å; W55-V63 HydrophobicContact CE3-CG2 4.11Å; W55-E90 HydrophobicContact CH2-CG 3.74Å; W55-E90 HydrophobicContact CZ2-CG 3.85Å; W55-E90 WeakPolarHBondContact CZ2-OE2 3.5Å
56L96Very high95Very high51 Ų5137.2 Ų37.227%0.26720%0.204SC..Hα-helixtrans-68.2-17.3177.4-62.9-175.8000113.4A26 E28 Y52 T53 S54 V63A26-L56 HydrophobicContact CB-CD2 4.42Å; E28-L56 HydrophobicContact CG-CD1 3.8Å; Y52-L56 HydrophobicContact CD1-CD1 4.15Å; Y52-L56 HydrophobicContact CE1-CD1 3.63Å; Y52-L56 HydrophobicContact CE1-CG 4.26Å; Y52-L56 HydrophobicContact CE2-CD2 4.4Å; Y52-L56 WeakPolarHBondContact O-CG 3.44Å; Y52-L56 PolarHBondContact O-N 2.91Å; Y52-L56 VanDerWaalsContact O-N 3.16Å; T53-L56 PolarHBondContact O-N 2.97Å; S54-L56 VanDerWaalsContact C-N 3.29Å; S54-L56 PolarHBondContact O-N 2.75Å; L56-V63 HydrophobicContact CD2-CB 4.43Å; L56-V63 HydrophobicContact CD2-CG2 4.27Å
57Q93.9Very high95.2Very high145 Ų14538.8 Ų38.868%0.67821%0.209SC*.Hα-helixtrans-96.5-12.4-179.3-62.6174.4-4.200113.1T53 S54 W55 S59T53-Q57 WeakPolarHBondContact O-CG 3.43Å; S54-Q57 PolarHBondContact O-N 2.94Å; W55-Q57 PolarHBondContact O-N 3.23Å; Q57-S59 PolarHBondContact O-N 3.48Å
58E94.3Very high95.2Very high50 Ų5039.9 Ų39.923%0.23422%0.215CC..  trans-76112.4-179.2-77.4173.4-147.400111S54 W55 N60 R61S54-E58 PolarHBondContact O-N 3.17Å; W55-E58 PolarHBondContact O-N 3Å; E58-N60 PolarHBondContact O-N 2.87Å; E58-N60 VanDerWaalsContact O-N 3.16Å; E58-R61 HydrophobicContact CB-CB 3.63Å; E58-R61 PolarHBondContact O-N 3.01Å; E58-R61 IonicContact OE1-NE 3.08Å; E58-R61 IonicContact OE2-CZ 2.81Å; E58-R61 IonicContact OE2-NE 2.79Å; E58-R61 PolarHBondContact OE2-NE 3.44Å; E58-R61 IonicContact OE2-NH2 2.77Å; E58-R61 PolarHBondContact OE2-NH2 3.3Å; E58-R61 VanDerWaalsContact OE2-NH2 3.11Å
59S92.1Very high95.1Very high102 Ų10248.3 Ų48.371%0.71325%0.254SS*.THydrogen-bonded Turntrans-62-26.6-175.859.20000114.6Q57Q57-S59 PolarHBondContact O-N 3.48Å
60N94.8Very high95Very high32 Ų3248.4 Ų48.417%0.17126%0.263CS..THydrogen-bonded Turntrans-91.40.8177.365.4-46.1000112.9E58 C79 V80 I225E58-N60 PolarHBondContact O-N 2.87Å; E58-N60 VanDerWaalsContact O-N 3.16Å; N60-C79 PolarHBondContact ND2-SG 3.12Å; N60-C79 CarbonylContact O-C 3.58Å; N60-C79 WeakPolarHBondContact O-CA 3.47Å; N60-V80 WeakPolarHBondContact CB-O 3.37Å; N60-V80 PolarHBondContact ND2-O 2.61Å; N60-V80 PolarHBondContact O-N 3.08Å; N60-I225 WeakPolarHBondContact ND2-CD1 3.21Å
61R97.1Very high95Very high13 Ų1351.7 Ų51.75%0.04927%0.272CS..EExtended strand (participates in β ladder)trans-109149.8178.4-173.7179.6-66.7-82.90111.4W55 E58 S77 A78 C79 E90W55-R61 VanDerWaalsContact CB-CD 3.42Å; W55-R61 VanDerWaalsContact CG-CD 3.49Å; W55-R61 WeakPolarHBondContact O-CD 3.34Å; E58-R61 HydrophobicContact CB-CB 3.63Å; E58-R61 PolarHBondContact O-N 3.01Å; E58-R61 IonicContact OE1-NE 3.08Å; E58-R61 IonicContact OE2-CZ 2.81Å; E58-R61 IonicContact OE2-NE 2.79Å; E58-R61 PolarHBondContact OE2-NE 3.44Å; E58-R61 IonicContact OE2-NH2 2.77Å; E58-R61 PolarHBondContact OE2-NH2 3.3Å; E58-R61 VanDerWaalsContact OE2-NH2 3.11Å; R61-S77 VanDerWaalsContact CD-OG 3.28Å; R61-S77 WeakPolarHBondContact CD-OG 3.08Å; R61-S77 VanDerWaalsContact CG-OG 3.26Å; R61-S77 WeakPolarHBondContact CG-OG 3.49Å; R61-S77 PolarHBondContact NH1-OG 3.35Å; R61-A78 CarbonylContact C-O 3.52Å; R61-A78 WeakPolarHBondContact CA-O 3.5Å; R61-C79 HydrophobicContact CB-CB 4.49Å; R61-C79 HydrophobicContact CG-CB 4.47Å; R61-E90 IonicContact CZ-OE1 3.68Å; R61-E90 VanDerWaalsContact NH1-CD 3.31Å; R61-E90 IonicContact NH1-OE1 3.38Å; R61-E90 PolarHBondContact NH1-OE1 2.81Å; R61-E90 IonicContact NH2-OE1 3.47Å; R61-E90 PolarHBondContact NH2-OE1 2.95Å
62T97.5Very high95.2Very high29 Ų2949.2 Ų49.218%0.17826%0.263CS..EExtended strand (participates in β ladder)trans-140128165.6-55.90000108.3V25 I64 A78 L114V25-T62 HydrophobicContact CG1-CG2 4.04Å; V25-T62 HydrophobicContact CG2-CG2 4.11Å; T62-I64 HydrophobicContact CG2-CD1 3.61Å; T62-I64 HydrophobicContact CG2-CG1 4.3Å; T62-A78 PolarHBondContact N-O 2.72Å; T62-A78 PolarHBondContact O-N 3.05Å; T62-L114 HydrophobicContact CG2-CD2 4.39Å
63V98.1Very high95.2Very high3 Ų349.5 Ų49.52%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-97.7125.1174.9-175.30000107.7V25 A26 Y52 W55 L56 L75V25-V63 WeakPolarHBondContact CA-O 3.15Å; A26-V63 HydrophobicContact CB-CB 3.82Å; A26-V63 HydrophobicContact CB-CG1 3.67Å; A26-V63 PolarHBondContact N-O 3.28Å; Y52-V63 HydrophobicContact CE2-CG1 4.37Å; W55-V63 HydrophobicContact CB-CG2 4.22Å; W55-V63 HydrophobicContact CE3-CG2 4.11Å; L56-V63 HydrophobicContact CD2-CB 4.43Å; L56-V63 HydrophobicContact CD2-CG2 4.27Å; V63-L75 HydrophobicContact CG1-CD1 3.73Å; V63-L75 HydrophobicContact CG1-CD2 4.15Å; V63-L75 HydrophobicContact CG1-CG 3.82Å
64I98.3Very high95.4Very high1 Ų146 Ų461%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-113.6134.9-176.9-57.2-62.3000109.8F23 A24 V25 T62 L75 E76 L107 F110 L114F23-I64 HydrophobicContact CB-CG2 4.41Å; F23-I64 HydrophobicContact CD1-CG2 4.33Å; A24-I64 WeakPolarHBondContact O-CA 3.27Å; V25-I64 HydrophobicContact CG2-CD1 4.07Å; T62-I64 HydrophobicContact CG2-CD1 3.61Å; T62-I64 HydrophobicContact CG2-CG1 4.3Å; I64-L75 WeakPolarHBondContact O-CA 3.42Å; I64-E76 PolarHBondContact N-O 2.72Å; I64-E76 PolarHBondContact O-N 2.86Å; I64-L107 HydrophobicContact CB-CD1 4.23Å; I64-L107 HydrophobicContact CG2-CD1 3.66Å; I64-F110 HydrophobicContact CD1-CE1 4.45Å; I64-F110 HydrophobicContact CG2-CD1 3.84Å; I64-F110 HydrophobicContact CG2-CE1 3.86Å; I64-L114 HydrophobicContact CD1-CD2 3.43Å; I64-L114 VanDerWaalsContact CD1-CD2 3.43Å; I64-L114 HydrophobicContact CG1-CD2 4.11Å
65L98.1Very high95.6Very high0 Ų043.8 Ų43.80%023%0.228CC..EExtended strand (participates in β ladder)trans-105.7138.8174.5-53.2179.6000109.6F23 A24 A26 D30 I34 V72 A74 L75F23-L65 VanDerWaalsContact CA-O 3.29Å; F23-L65 WeakPolarHBondContact CA-O 3.42Å; A24-L65 PolarHBondContact N-O 3.38Å; A24-L65 VanDerWaalsContact N-O 3.08Å; A24-L65 PolarHBondContact O-N 3.36Å; A26-L65 HydrophobicContact CB-CD1 3.83Å; A26-L65 HydrophobicContact CB-CD2 3.89Å; A26-L65 HydrophobicContact CB-CG 3.69Å; D30-L65 HydrophobicContact CB-CD1 3.64Å; I34-L65 HydrophobicContact CD1-CD1 4.41Å; I34-L65 HydrophobicContact CD1-CD2 3.81Å; I34-L65 HydrophobicContact CG1-CD2 3.95Å; L65-V72 HydrophobicContact CD1-CG2 3.93Å; L65-V72 HydrophobicContact CD2-CG1 4.3Å; L65-A74 WeakPolarHBondContact CA-O 3.46Å; L65-L75 HydrophobicContact CD2-CB 3.97Å; L65-L75 HydrophobicContact CD2-CD1 3.72Å; L65-L75 HydrophobicContact CD2-CG 3.96Å
66A97.3Very high95.7Very high0 Ų043.6 Ų43.60%023%0.227CC..EExtended strand (participates in β ladder)trans-98.7128160.600000109Q22 F23 I73 A74 L107Q22-A66 CarbonylContact O-C 3.56Å; Q22-A66 WeakPolarHBondContact O-CA 3.44Å; F23-A66 HydrophobicContact CD1-CB 4.02Å; F23-A66 HydrophobicContact CE1-CB 3.75Å; A66-I73 HydrophobicContact CB-CG1 4.43Å; A66-I73 WeakPolarHBondContact O-CG1 3.42Å; A66-I73 PolarHBondContact O-N 3.37Å; A66-A74 HydrophobicContact CB-CB 3.9Å; A66-A74 PolarHBondContact N-O 3.08Å; A66-A74 PolarHBondContact O-N 2.85Å; A66-L107 HydrophobicContact CB-CD1 4.43Å
67R96.4Very high95.8Very high40 Ų4041.2 Ų41.215%0.15122%0.215CC..EExtended strand (participates in β ladder)trans-112.5145.7176.7-68.2-177.6170.5-78-5.4111.1L21 Q22 D30 E33 G70 K71 V72L21-R67 WeakPolarHBondContact CA-O 3.45Å; Q22-R67 HydrophobicContact CB-CB 4.3Å; Q22-R67 PolarHBondContact N-O 3.18Å; Q22-R67 PolarHBondContact O-N 3.42Å; D30-R67 IonicContact OD1-CZ 3.37Å; D30-R67 IonicContact OD1-NH2 3.81Å; D30-R67 PolarHBondContact OD1-NH2 3.36Å; E33-R67 IonicContact OE1-NH1 3.45Å; E33-R67 IonicContact OE2-CZ 2.78Å; E33-R67 IonicContact OE2-NH1 3.77Å; E33-R67 PolarHBondContact OE2-NH1 3.05Å; E33-R67 IonicContact OE2-NH2 3.01Å; E33-R67 PolarHBondContact OE2-NH2 3.22Å; E33-R67 VanDerWaalsContact OE2-NH2 3.08Å; R67-G70 PolarHBondContact NH1-O 2.86Å; R67-K71 CarbonylContact C-O 3.54Å; R67-K71 WeakPolarHBondContact CA-O 3.4Å; R67-V72 HydrophobicContact CG-CG2 4.25Å; R67-V72 VanDerWaalsContact NH2-CG2 3.27Å
68K94.3Very high96Very high65 Ų6534.4 Ų34.428%0.28318%0.184SC..EExtended strand (participates in β ladder)trans-137.9125.5172.8-171.5-179.4-174.9-175.30108.2L21 G70 K71 I73 E98L21-K68 HydrophobicContact CD2-CB 4.25Å; K68-G70 PolarHBondContact O-N 2.79Å; K68-K71 PolarHBondContact N-O 2.82Å; K68-K71 PolarHBondContact O-N 3.2Å; K68-I73 HydrophobicContact CB-CD1 3.73Å; K68-I73 HydrophobicContact CB-CG1 4.11Å; K68-I73 HydrophobicContact CB-CG2 4.18Å; K68-I73 HydrophobicContact CD-CD1 4.15Å; K68-E98 IonicContact NZ-OE1 3.69Å; K68-E98 IonicContact NZ-OE2 2.93Å; K68-E98 PolarHBondContact NZ-OE2 3.11Å
69E92Very high96.1Very high177 Ų17732.1 Ų32.183%0.82717%0.173SC*.THydrogen-bonded Turntrans52.540.7-174.9-60.7171.3-169.300112.3K71E69-K71 VanDerWaalsContact C-N 3.26Å; E69-K71 PolarHBondContact O-N 3.33Å
70G90.6Very high96.4Very high46 Ų4627.9 Ų27.947%0.47414%0.143SC..THydrogen-bonded Turntrans79.6-8.2-179.800000115.6R67 K68R67-G70 PolarHBondContact NH1-O 2.86Å; K68-G70 PolarHBondContact O-N 2.79Å
71K93.9Very high96.6Very high138 Ų13826.5 Ų26.560%0.614%0.135SC*.EExtended strand (participates in β ladder)trans-99.2140.9-178-62.4-179.4-179.7177.10112.9E33 R67 K68 E69 I73E33-K71 WeakPolarHBondContact OE1-CA 3.31Å; R67-K71 CarbonylContact C-O 3.54Å; R67-K71 WeakPolarHBondContact CA-O 3.4Å; K68-K71 PolarHBondContact N-O 2.82Å; K68-K71 PolarHBondContact O-N 3.2Å; E69-K71 VanDerWaalsContact C-N 3.26Å; E69-K71 PolarHBondContact O-N 3.33Å; K71-I73 PolarHBondContact O-N 3.27Å
72V96.3Very high96.6Very high10 Ų1025.9 Ų25.96%0.06113%0.133CC..EExtended strand (participates in β ladder)trans-64.8125.7169.1177.80000109.2E33 I34 M37 L65 R67E33-V72 HydrophobicContact CB-CG2 4.35Å; E33-V72 HydrophobicContact CG-CB 3.92Å; E33-V72 HydrophobicContact CG-CG2 4.07Å; E33-V72 PolarHBondContact OE1-N 2.94Å; E33-V72 WeakPolarHBondContact OE2-CG2 3.4Å; I34-V72 HydrophobicContact CG1-CG1 4.4Å; M37-V72 HydrophobicContact CE-CG1 4.09Å; M37-V72 HydrophobicContact SD-CG1 4.18Å; L65-V72 HydrophobicContact CD1-CG2 3.93Å; L65-V72 HydrophobicContact CD2-CG1 4.3Å; R67-V72 HydrophobicContact CG-CG2 4.25Å; R67-V72 VanDerWaalsContact NH2-CG2 3.27Å
73I96Very high96.6Very high8 Ų829.4 Ų29.44%0.04115%0.151CC..EExtended strand (participates in β ladder)trans-127.6-10.2177.862.9152.2000113.6L21 M37 A66 K68 K71 V94 A95 E98 V103L21-I73 HydrophobicContact CD2-CD1 3.6Å; M37-I73 VanDerWaalsContact SD-O 3.33Å; A66-I73 HydrophobicContact CB-CG1 4.43Å; A66-I73 WeakPolarHBondContact O-CG1 3.42Å; A66-I73 PolarHBondContact O-N 3.37Å; K68-I73 HydrophobicContact CB-CD1 3.73Å; K68-I73 HydrophobicContact CB-CG1 4.11Å; K68-I73 HydrophobicContact CB-CG2 4.18Å; K68-I73 HydrophobicContact CD-CD1 4.15Å; K71-I73 PolarHBondContact O-N 3.27Å; I73-V94 WeakPolarHBondContact O-CA 3.26Å; I73-A95 HydrophobicContact CB-CB 4.22Å; I73-A95 WeakPolarHBondContact O-CB 3.39Å; I73-A95 PolarHBondContact O-N 3.43Å; I73-E98 HydrophobicContact CB-CG 4.07Å; I73-E98 HydrophobicContact CD1-CB 4.33Å; I73-E98 HydrophobicContact CD1-CG 3.82Å; I73-E98 HydrophobicContact CG2-CG 4.21Å; I73-V103 HydrophobicContact CD1-CG1 4.26Å; I73-V103 HydrophobicContact CD1-CG2 4.36Å
74A97.2Very high96.5Very high0 Ų030.2 Ų30.20%016%0.16CC..EExtended strand (participates in β ladder)trans-154.3157.3169.700000111.5M37 L65 A66 R93 V94 V103 L107M37-A74 PolarHBondContact SD-N 2.85Å; L65-A74 WeakPolarHBondContact CA-O 3.46Å; A66-A74 HydrophobicContact CB-CB 3.9Å; A66-A74 PolarHBondContact N-O 3.08Å; A66-A74 PolarHBondContact O-N 2.85Å; A74-R93 CarbonylContact C-O 3.51Å; A74-R93 WeakPolarHBondContact CA-O 3.21Å; A74-R93 WeakPolarHBondContact CB-O 3.39Å; A74-V94 HydrophobicContact CB-CG2 4.13Å; A74-V103 HydrophobicContact CB-CG1 3.68Å; A74-L107 HydrophobicContact CB-CD2 3.74Å
75L97.8Very high96.5Very high0 Ų033.4 Ų33.40%018%0.175CC..EExtended strand (participates in β ladder)trans-137.4142.4174.6176.6152.7000108.9I34 M37 L48 Y52 V63 I64 L65 G91 L92 R93I34-L75 HydrophobicContact CB-CD1 4.42Å; I34-L75 HydrophobicContact CD1-CD1 3.71Å; I34-L75 HydrophobicContact CG1-CD1 3.93Å; I34-L75 HydrophobicContact CG2-CD1 3.57Å; M37-L75 HydrophobicContact CE-CB 4.01Å; L48-L75 HydrophobicContact CD2-CD1 4.09Å; L48-L75 HydrophobicContact CD2-CD2 4.32Å; Y52-L75 HydrophobicContact CE2-CD1 4.45Å; V63-L75 HydrophobicContact CG1-CD1 3.73Å; V63-L75 HydrophobicContact CG1-CD2 4.15Å; V63-L75 HydrophobicContact CG1-CG 3.82Å; I64-L75 WeakPolarHBondContact O-CA 3.42Å; L65-L75 HydrophobicContact CD2-CB 3.97Å; L65-L75 HydrophobicContact CD2-CD1 3.72Å; L65-L75 HydrophobicContact CD2-CG 3.96Å; L75-G91 VanDerWaalsContact CD2-O 3.22Å; L75-G91 WeakPolarHBondContact CD2-O 3.28Å; L75-L92 CarbonylContact O-C 3.51Å; L75-L92 WeakPolarHBondContact O-CA 3.35Å; L75-R93 HydrophobicContact CB-CB 4.45Å; L75-R93 PolarHBondContact N-O 2.86Å; L75-R93 PolarHBondContact O-N 3.31Å
76E97.7Very high96.5Very high6 Ų633.4 Ų33.43%0.02818%0.175CC..EExtended strand (participates in β ladder)trans-146.5137.4165.4-173.5141.7-142.600109.6I64 V89 L92 L107I64-E76 PolarHBondContact N-O 2.72Å; I64-E76 PolarHBondContact O-N 2.86Å; E76-V89 HydrophobicContact CG-CB 4.27Å; E76-L92 HydrophobicContact CB-CD1 4.37Å; E76-L107 HydrophobicContact CB-CD2 3.66Å; E76-L107 HydrophobicContact CB-CG 3.93Å
77S98Very high96.6Very high0 Ų033.4 Ų33.40%018%0.175CC..EExtended strand (participates in β ladder)trans-97.6133.1171.6-168.50000109.8R61 V89 E90R61-S77 VanDerWaalsContact CD-OG 3.28Å; R61-S77 WeakPolarHBondContact CD-OG 3.08Å; R61-S77 VanDerWaalsContact CG-OG 3.26Å; R61-S77 WeakPolarHBondContact CG-OG 3.49Å; R61-S77 PolarHBondContact NH1-OG 3.35Å; S77-V89 CarbonylContact O-C 3.6Å; S77-V89 VanDerWaalsContact O-CA 3.25Å; S77-V89 WeakPolarHBondContact O-CA 3.47Å; S77-E90 WeakPolarHBondContact CA-O 3.43Å; S77-E90 WeakPolarHBondContact CB-O 3.38Å; S77-E90 PolarHBondContact N-O 3.32Å; S77-E90 PolarHBondContact O-N 2.89Å
78A97.8Very high96.7Very high3 Ų331.6 Ų31.63%0.02517%0.168CC..EExtended strand (participates in β ladder)trans-116.1125.2171.900000109.4R61 T62 M87 L88 V89 C111 V115R61-A78 CarbonylContact C-O 3.52Å; R61-A78 WeakPolarHBondContact CA-O 3.5Å; T62-A78 PolarHBondContact N-O 2.72Å; T62-A78 PolarHBondContact O-N 3.05Å; A78-M87 HydrophobicContact CB-CG 4.11Å; A78-M87 HydrophobicContact CB-SD 4.07Å; A78-L88 CarbonylContact C-O 3.56Å; A78-V89 HydrophobicContact CB-CG1 4.37Å; A78-C111 HydrophobicContact CB-CB 4.46Å; A78-V115 HydrophobicContact CB-CG2 3.92Å
79C97.6Very high96.8Very high1 Ų128.7 Ų28.71%0.00716%0.156CC..EExtended strand (participates in β ladder)trans-123.4127.3-178.4-172.50000109.4N60 R61 L88N60-C79 PolarHBondContact ND2-SG 3.12Å; N60-C79 CarbonylContact O-C 3.58Å; N60-C79 WeakPolarHBondContact O-CA 3.47Å; R61-C79 HydrophobicContact CB-CB 4.49Å; R61-C79 HydrophobicContact CG-CB 4.47Å; C79-L88 HydrophobicContact CB-CB 4.43Å; C79-L88 PolarHBondContact N-O 3.2Å; C79-L88 PolarHBondContact O-N 2.78Å
80V98.3Very high97Very high13 Ų1321.5 Ų21.58%0.07912%0.122CC..EExtended strand (participates in β ladder)trans-90.5123.31781780000109.3N60 T86 V115 Y119 V122N60-V80 WeakPolarHBondContact CB-O 3.37Å; N60-V80 PolarHBondContact ND2-O 2.61Å; N60-V80 PolarHBondContact O-N 3.08Å; V80-T86 WeakPolarHBondContact CA-O 3.48Å; V80-V115 HydrophobicContact CG2-CG1 3.76Å; V80-Y119 HydrophobicContact CB-CD2 4.42Å; V80-Y119 HydrophobicContact CB-CE2 4.32Å; V80-Y119 HydrophobicContact CG1-CD1 4.48Å; V80-Y119 HydrophobicContact CG1-CG 4.36Å; V80-Y119 HydrophobicContact CG2-CD2 3.54Å; V80-Y119 HydrophobicContact CG2-CE2 3.63Å; V80-Y119 HydrophobicContact CG2-CG 4.1Å; V80-V122 HydrophobicContact CG1-CG2 4.1Å; V80-V122 HydrophobicContact CG2-CG2 4.35Å
81I97.9Very high97.1Very high3 Ų319.6 Ų19.62%0.01510%0.103CC..EExtended strand (participates in β ladder)trans-134.2-176.4-174.967.6169.3000109.9D83 G84 E85 T86 L88 P215 F216 I225I81-D83 PolarHBondContact O-N 2.78Å; I81-G84 PolarHBondContact O-N 3.38Å; I81-E85 PolarHBondContact O-N 3.09Å; I81-T86 HydrophobicContact CD1-CG2 4.16Å; I81-T86 HydrophobicContact CG1-CG2 3.85Å; I81-T86 PolarHBondContact N-O 3.24Å; I81-T86 PolarHBondContact O-N 3.48Å; I81-L88 HydrophobicContact CD1-CB 3.88Å; I81-L88 HydrophobicContact CD1-CD2 4.17Å; I81-L88 HydrophobicContact CG1-CB 4.22Å; I81-P215 VanDerWaalsContact CD1-O 3.23Å; I81-P215 WeakPolarHBondContact CD1-O 3.36Å; I81-F216 HydrophobicContact CD1-CD1 4.05Å; I81-F216 HydrophobicContact CD1-CE1 4.35Å; I81-F216 HydrophobicContact CG2-CD1 4.4Å; I81-F216 HydrophobicContact CG2-CE1 4.01Å; I81-I225 HydrophobicContact CG2-CD1 4.07Å
82D97.6Very high97.2Very high0 Ų016.4 Ų16.40%09%0.092CC..G310 helixtrans54.953178.4-58.4-21.7000112.7G84 E85 T86 R126 K217 L219 N222D82-G84 PolarHBondContact O-N 3.43Å; D82-G84 VanDerWaalsContact O-N 3.11Å; D82-E85 WeakPolarHBondContact O-CB 3.43Å; D82-E85 PolarHBondContact O-N 3.13Å; D82-E85 VanDerWaalsContact O-N 3.07Å; D82-T86 WeakPolarHBondContact OD2-CB 3.37Å; D82-T86 PolarHBondContact OD2-OG1 3.36Å; D82-R126 IonicContact OD1-NH1 3.83Å; D82-R126 IonicContact OD2-CZ 2.81Å; D82-R126 VanDerWaalsContact OD2-CZ 3.22Å; D82-R126 IonicContact OD2-NH1 3.87Å; D82-R126 PolarHBondContact OD2-NH1 3.12Å; D82-R126 IonicContact OD2-NH2 2.97Å; D82-R126 PolarHBondContact OD2-NH2 2.97Å; D82-K217 HydrophobicContact CB-CD 4.02Å; D82-K217 WeakPolarHBondContact OD1-CB 3.43Å; D82-K217 WeakPolarHBondContact OD1-CG 3.38Å; D82-K217 PolarHBondContact OD1-N 3.28Å; D82-K217 VanDerWaalsContact OD2-CE 3.3Å; D82-K217 WeakPolarHBondContact OD2-CE 3.34Å; D82-K217 IonicContact OD2-NZ 3.77Å; D82-L219 HydrophobicContact CB-CD1 4.03Å; D82-N222 PolarHBondContact N-OD1 3.07Å; D82-N222 PolarHBondContact OD1-ND2 2.79Å
83D97.1Very high97.1Very high104 Ų10416.3 Ų16.356%0.5569%0.09SC*.G310 helixtrans55.627.6-178.1-64.3-34000114.6I81 S221I81-D83 PolarHBondContact O-N 2.78Å; D83-S221 PolarHBondContact N-OG 2.91Å; D83-S221 WeakPolarHBondContact OD1-CB 3.43Å; D83-S221 PolarHBondContact OD1-OG 2.79Å
84G97.1Very high97Very high20 Ų2016.8 Ų16.821%0.2069%0.094CC..G310 helixtrans942.9178.800000114.5I81 D82 D121 V122I81-G84 PolarHBondContact O-N 3.38Å; D82-G84 PolarHBondContact O-N 3.43Å; D82-G84 VanDerWaalsContact O-N 3.11Å; G84-D121 CarbonylContact O-C 3.55Å; G84-V122 WeakPolarHBondContact O-CA 3.28Å; G84-V122 WeakPolarHBondContact O-CG2 3.26Å; G84-V122 PolarHBondContact O-N 2.82Å
85E97.9Very high96.9Very high67 Ų6716.9 Ų16.931%0.3139%0.094SC..THydrogen-bonded Turntrans-90.7-15.7-176-60.5-163.9144.800114.2I81 D82 K123 V124 K217I81-E85 PolarHBondContact O-N 3.09Å; D82-E85 WeakPolarHBondContact O-CB 3.43Å; D82-E85 PolarHBondContact O-N 3.13Å; D82-E85 VanDerWaalsContact O-N 3.07Å; E85-K123 PolarHBondContact O-N 3.09Å; E85-K123 IonicContact OE1-NZ 2.65Å; E85-K123 PolarHBondContact OE1-NZ 3.16Å; E85-K123 IonicContact OE2-NZ 3.92Å; E85-V124 PolarHBondContact O-N 3.24Å; E85-K217 IonicContact OE2-NZ 3.95Å
86T98.4Very high96.6Very high0 Ų020.4 Ų20.40%012%0.117CC..EExtended strand (participates in β ladder)trans-128.7129.7-172.4-600000111.4V80 I81 D82 V124 R126V80-T86 WeakPolarHBondContact CA-O 3.48Å; I81-T86 HydrophobicContact CD1-CG2 4.16Å; I81-T86 HydrophobicContact CG1-CG2 3.85Å; I81-T86 PolarHBondContact N-O 3.24Å; I81-T86 PolarHBondContact O-N 3.48Å; D82-T86 WeakPolarHBondContact OD2-CB 3.37Å; D82-T86 PolarHBondContact OD2-OG1 3.36Å; T86-V124 WeakPolarHBondContact CA-O 3.47Å; T86-V124 HydrophobicContact CG2-CG2 3.99Å; T86-V124 WeakPolarHBondContact OG1-CG2 3.38Å; T86-R126 HydrophobicContact CG2-CB 3.75Å; T86-R126 PolarHBondContact OG1-NH2 2.95Å
87M98.3Very high96.3Very high0 Ų026 Ų260%014%0.144CC..EExtended strand (participates in β ladder)trans-90.6106.4163.5-175.8178.677.400109.4A78 V89 L108 V115 V122 V124 T125 R126 L333A78-M87 HydrophobicContact CB-CG 4.11Å; A78-M87 HydrophobicContact CB-SD 4.07Å; M87-V89 HydrophobicContact CE-CG1 3.6Å; M87-V89 HydrophobicContact CG-CG1 4.05Å; M87-V89 HydrophobicContact SD-CG1 4.2Å; M87-L108 HydrophobicContact CE-CD1 4.31Å; M87-V115 HydrophobicContact CB-CG1 4.07Å; M87-V115 HydrophobicContact CG-CB 4.36Å; M87-V115 HydrophobicContact CG-CG1 4.04Å; M87-V115 HydrophobicContact CG-CG2 4.15Å; M87-V115 HydrophobicContact SD-CB 3.58Å; M87-V115 VanDerWaalsContact SD-CB 3.58Å; M87-V115 HydrophobicContact SD-CG1 3.84Å; M87-V115 HydrophobicContact SD-CG2 3.53Å; M87-V115 VanDerWaalsContact SD-CG2 3.53Å; M87-V122 HydrophobicContact CB-CG1 3.94Å; M87-V124 PolarHBondContact N-O 2.9Å; M87-T125 HydrophobicContact CE-CG2 3.61Å; M87-T125 WeakPolarHBondContact CE-OG1 3.28Å; M87-T125 CarbonylContact O-C 3.6Å; M87-T125 VanDerWaalsContact O-CA 3.27Å; M87-T125 WeakPolarHBondContact O-CA 3.48Å; M87-R126 PolarHBondContact O-N 3.31Å; M87-L333 HydrophobicContact CE-CD1 4.31Å
88L98.3Very high96.1Very high2 Ų227 Ų271%0.0115%0.148CC..EExtended strand (participates in β ladder)trans-81.6122.8167.2174.159.2000109.3A78 C79 I81 R126 Q214 P215A78-L88 CarbonylContact C-O 3.56Å; C79-L88 HydrophobicContact CB-CB 4.43Å; C79-L88 PolarHBondContact N-O 3.2Å; C79-L88 PolarHBondContact O-N 2.78Å; I81-L88 HydrophobicContact CD1-CB 3.88Å; I81-L88 HydrophobicContact CD1-CD2 4.17Å; I81-L88 HydrophobicContact CG1-CB 4.22Å; L88-R126 WeakPolarHBondContact CA-O 3.29Å; L88-R126 WeakPolarHBondContact CD1-O 3.09Å; L88-Q214 HydrophobicContact CD2-CB 3.85Å; L88-Q214 HydrophobicContact CD2-CG 4Å; L88-P215 HydrophobicContact CD1-CG 4.09Å
89V97.2Very high95.9Very high5 Ų533.5 Ų33.53%0.0317%0.172CC..EExtended strand (participates in β ladder)trans-106138.2172.1-61.20000111.5E76 S77 A78 M87 L108 T125 R126 L127E76-V89 HydrophobicContact CG-CB 4.27Å; S77-V89 CarbonylContact O-C 3.6Å; S77-V89 VanDerWaalsContact O-CA 3.25Å; S77-V89 WeakPolarHBondContact O-CA 3.47Å; A78-V89 HydrophobicContact CB-CG1 4.37Å; M87-V89 HydrophobicContact CE-CG1 3.6Å; M87-V89 HydrophobicContact CG-CG1 4.05Å; M87-V89 HydrophobicContact SD-CG1 4.2Å; V89-L108 HydrophobicContact CB-CD1 4.43Å; V89-L108 HydrophobicContact CG1-CD1 3.9Å; V89-L108 HydrophobicContact CG2-CD1 4.08Å; V89-T125 HydrophobicContact CG1-CG2 4.21Å; V89-T125 HydrophobicContact CG2-CG2 4.08Å; V89-R126 PolarHBondContact N-O 3.4Å; V89-L127 HydrophobicContact CG2-CB 3.7Å; V89-L127 HydrophobicContact CG2-CD2 4.41Å; V89-L127 HydrophobicContact CG2-CG 4.46Å
90E95.5Very high95.5Very high26 Ų2637.7 Ų37.712%0.12122%0.216CC..EExtended strand (participates in β ladder)trans-152.2165.3179.769.5-175124.800112.7W55 R61 S77 L92 Q214W55-E90 HydrophobicContact CH2-CG 3.74Å; W55-E90 HydrophobicContact CZ2-CG 3.85Å; W55-E90 WeakPolarHBondContact CZ2-OE2 3.5Å; R61-E90 IonicContact CZ-OE1 3.68Å; R61-E90 VanDerWaalsContact NH1-CD 3.31Å; R61-E90 IonicContact NH1-OE1 3.38Å; R61-E90 PolarHBondContact NH1-OE1 2.81Å; R61-E90 IonicContact NH2-OE1 3.47Å; R61-E90 PolarHBondContact NH2-OE1 2.95Å; S77-E90 WeakPolarHBondContact CA-O 3.43Å; S77-E90 WeakPolarHBondContact CB-O 3.38Å; S77-E90 PolarHBondContact N-O 3.32Å; S77-E90 PolarHBondContact O-N 2.89Å; E90-L92 VanDerWaalsContact C-N 3.29Å; E90-L92 PolarHBondContact O-N 3.25Å; E90-Q214 PolarHBondContact OE1-NE2 3.45Å; E90-Q214 PolarHBondContact OE2-NE2 3.42Å
91G94.1Very high95.3Very high6 Ų643 Ų436%0.06224%0.238CC..EExtended strand (participates in β ladder)trans71.418.5176.600000114.8Y47 L75 R93Y47-G91 WeakPolarHBondContact OH-CA 3.49Å; Y47-G91 PolarHBondContact OH-N 3.41Å; L75-G91 VanDerWaalsContact CD2-O 3.22Å; L75-G91 WeakPolarHBondContact CD2-O 3.28Å; G91-R93 WeakPolarHBondContact O-CG 3.24Å; G91-R93 PolarHBondContact O-N 3.43Å
92L95Very high95Very high71 Ų7145.1 Ų45.137%0.37226%0.26SS..EExtended strand (participates in β ladder)trans-53.2123.9178174.962.7000111.4L75 E76 E90 V94 A104 L107L75-L92 CarbonylContact O-C 3.51Å; L75-L92 WeakPolarHBondContact O-CA 3.35Å; E76-L92 HydrophobicContact CB-CD1 4.37Å; E90-L92 VanDerWaalsContact C-N 3.29Å; E90-L92 PolarHBondContact O-N 3.25Å; L92-V94 HydrophobicContact CD1-CG2 4.47Å; L92-A104 HydrophobicContact CD1-CB 3.96Å; L92-A104 HydrophobicContact CD2-CB 3.91Å; L92-A104 HydrophobicContact CG-CB 4.46Å; L92-L107 HydrophobicContact CD1-CD2 4.4Å
93R94.4Very high94.9Very high7 Ų745.6 Ų45.63%0.02626%0.263CS..EExtended strand (participates in β ladder)trans-136.3141.9176.8-64.6164-165.2-127.7-20109.7M37 S38 I41 D46 L48 A74 L75 G91M37-R93 HydrophobicContact CE-CB 3.71Å; S38-R93 VanDerWaalsContact OG-CD 3.32Å; S38-R93 WeakPolarHBondContact OG-CD 3.25Å; S38-R93 PolarHBondContact OG-NH1 3.02Å; I41-R93 HydrophobicContact CD1-CG 3.74Å; D46-R93 IonicContact OD1-CZ 3.47Å; D46-R93 IonicContact OD1-NH1 3.4Å; D46-R93 IonicContact OD1-NH2 3.66Å; D46-R93 PolarHBondContact OD1-NH2 2.77Å; D46-R93 IonicContact OD2-CZ 3.31Å; D46-R93 IonicContact OD2-NH1 2.78Å; D46-R93 PolarHBondContact OD2-NH1 2.95Å; D46-R93 IonicContact OD2-NH2 2.97Å; D46-R93 PolarHBondContact OD2-NH2 2.91Å; L48-R93 VanDerWaalsContact CD2-NH1 3.32Å; A74-R93 CarbonylContact C-O 3.51Å; A74-R93 WeakPolarHBondContact CA-O 3.21Å; A74-R93 WeakPolarHBondContact CB-O 3.39Å; L75-R93 HydrophobicContact CB-CB 4.45Å; L75-R93 PolarHBondContact N-O 2.86Å; L75-R93 PolarHBondContact O-N 3.31Å; G91-R93 WeakPolarHBondContact O-CG 3.24Å; G91-R93 PolarHBondContact O-N 3.43Å
94V94.9Very high94.7Very high19 Ų1942.1 Ų42.112%0.11525%0.249CC..EExtended strand (participates in β ladder)trans-133.9131.3169.5-177.40000108.2I73 A74 L92 E98 R99 V103 A104I73-V94 WeakPolarHBondContact O-CA 3.26Å; A74-V94 HydrophobicContact CB-CG2 4.13Å; L92-V94 HydrophobicContact CD1-CG2 4.47Å; V94-E98 HydrophobicContact CG1-CB 3.9Å; V94-R99 HydrophobicContact CB-CG 4.13Å; V94-R99 HydrophobicContact CG1-CG 4.11Å; V94-R99 PolarHBondContact O-NE 3.36Å; V94-R99 PolarHBondContact O-NH2 3.25Å; V94-V103 HydrophobicContact CG1-CB 4.08Å; V94-V103 HydrophobicContact CG1-CG1 4.27Å; V94-V103 HydrophobicContact CG2-CG1 4.47Å; V94-A104 HydrophobicContact CG2-CB 4Å
95A93.7Very high94.5Very high2 Ų242.7 Ų42.72%0.01726%0.255CS..  trans-50.7135.8176.100000110.3M37 I73 Q97 E98 R99M37-A95 HydrophobicContact CG-CB 3.84Å; M37-A95 HydrophobicContact SD-CB 4.11Å; I73-A95 HydrophobicContact CB-CB 4.22Å; I73-A95 WeakPolarHBondContact O-CB 3.39Å; I73-A95 PolarHBondContact O-N 3.43Å; A95-Q97 PolarHBondContact O-N 3.29Å; A95-E98 PolarHBondContact O-N 3.03Å; A95-R99 PolarHBondContact O-N 3.19Å
96P92.1Very high94.4Very high74 Ų7440.5 Ų40.548%0.48125%0.246SC..G310 helixtrans-48.7-42.6-173.2-30.135.2000114.2E98 R99P96-E98 VanDerWaalsContact C-N 3.27Å; P96-E98 PolarHBondContact O-N 2.89Å; P96-R99 PolarHBondContact O-N 3.3Å
97Q92.1Very high94.2Very high124 Ų12440.5 Ų40.558%0.57925%0.246SC*.G310 helixtrans-71.2-14.5-179.768.7-81.315.100114.6A95 K101A95-Q97 PolarHBondContact O-N 3.29Å; Q97-K101 WeakPolarHBondContact O-CE 3.46Å; Q97-K101 PolarHBondContact O-NZ 3.45Å
98E94Very high94Very high20 Ų2041.5 Ų41.59%0.09325%0.251CS..G310 helixtrans-106.2-2.3178.2-63.8-58.7120.800113.1K68 I73 V94 A95 P96 K101 V103K68-E98 IonicContact NZ-OE1 3.69Å; K68-E98 IonicContact NZ-OE2 2.93Å; K68-E98 PolarHBondContact NZ-OE2 3.11Å; I73-E98 HydrophobicContact CB-CG 4.07Å; I73-E98 HydrophobicContact CD1-CB 4.33Å; I73-E98 HydrophobicContact CD1-CG 3.82Å; I73-E98 HydrophobicContact CG2-CG 4.21Å; V94-E98 HydrophobicContact CG1-CB 3.9Å; A95-E98 PolarHBondContact O-N 3.03Å; P96-E98 VanDerWaalsContact C-N 3.27Å; P96-E98 PolarHBondContact O-N 2.89Å; E98-K101 WeakPolarHBondContact O-CB 3.45Å; E98-K101 PolarHBondContact O-N 3.21Å; E98-K101 IonicContact OE1-NZ 2.61Å; E98-K101 PolarHBondContact OE1-NZ 3.18Å; E98-K101 IonicContact OE2-NZ 3.08Å; E98-K101 PolarHBondContact OE2-NZ 3Å; E98-V103 HydrophobicContact CB-CG2 4.18Å
99R92.4Very high93.8Very high139 Ų13947.8 Ų47.853%0.52527%0.274SS..THydrogen-bonded Turntrans-64.8148.7175.3-64.8178.2-169.41683.7111.1V94 A95 P96 K101V94-R99 HydrophobicContact CB-CG 4.13Å; V94-R99 HydrophobicContact CG1-CG 4.11Å; V94-R99 PolarHBondContact O-NE 3.36Å; V94-R99 PolarHBondContact O-NH2 3.25Å; A95-R99 PolarHBondContact O-N 3.19Å; P96-R99 PolarHBondContact O-N 3.3Å; R99-K101 PolarHBondContact O-N 2.86Å
100G90.2Very high93.8Very high90 Ų9047.7 Ų47.793%0.92827%0.274SS*.THydrogen-bonded Turntrans75.4-3-177.400000115.1
101K93.5Very high93.8Very high125 Ų12546.4 Ų46.454%0.54327%0.268SS..THydrogen-bonded Turntrans-968.7179.8-53.5-177.5-167.8169.20114.3Q97 E98 R99 V103Q97-K101 WeakPolarHBondContact O-CE 3.46Å; Q97-K101 PolarHBondContact O-NZ 3.45Å; E98-K101 WeakPolarHBondContact O-CB 3.45Å; E98-K101 PolarHBondContact O-N 3.21Å; E98-K101 IonicContact OE1-NZ 2.61Å; E98-K101 PolarHBondContact OE1-NZ 3.18Å; E98-K101 IonicContact OE2-NZ 3.08Å; E98-K101 PolarHBondContact OE2-NZ 3Å; R99-K101 PolarHBondContact O-N 2.86Å; K101-V103 PolarHBondContact O-N 2.76Å
102G92.4Very high93.9Very high47 Ų4747.1 Ų47.149%0.48527%0.272SS..THydrogen-bonded Turntrans81.24.2179.100000116.1A104 G105 V106G102-A104 PolarHBondContact O-N 3.23Å; G102-G105 PolarHBondContact O-N 2.66Å; G102-V106 PolarHBondContact O-N 3.11Å
103V94.9Very high93.9Very high9 Ų948.2 Ų48.26%0.05528%0.275CS..Hα-helixtrans-53-47.1-177.3176.70000112.8L21 I73 A74 V94 E98 K101 G105 V106 L107L21-V103 HydrophobicContact CD1-CG1 4.31Å; I73-V103 HydrophobicContact CD1-CG1 4.26Å; I73-V103 HydrophobicContact CD1-CG2 4.36Å; A74-V103 HydrophobicContact CB-CG1 3.68Å; V94-V103 HydrophobicContact CG1-CB 4.08Å; V94-V103 HydrophobicContact CG1-CG1 4.27Å; V94-V103 HydrophobicContact CG2-CG1 4.47Å; E98-V103 HydrophobicContact CB-CG2 4.18Å; K101-V103 PolarHBondContact O-N 2.76Å; V103-G105 VanDerWaalsContact C-N 3.27Å; V103-G105 PolarHBondContact O-N 2.68Å; V103-V106 PolarHBondContact O-N 2.83Å; V103-V106 VanDerWaalsContact O-N 3.11Å; V103-L107 WeakPolarHBondContact O-CB 3.45Å; V103-L107 PolarHBondContact O-N 2.94Å
104A93.3Very high93.9Very high32 Ų3248.4 Ų48.426%0.26428%0.277SS..Hα-helixtrans-55.9-41.3177.600000112.7L92 V94 G102 L107 L108L92-A104 HydrophobicContact CD1-CB 3.96Å; L92-A104 HydrophobicContact CD2-CB 3.91Å; L92-A104 HydrophobicContact CG-CB 4.46Å; V94-A104 HydrophobicContact CG2-CB 4Å; G102-A104 PolarHBondContact O-N 3.23Å; A104-L107 PolarHBondContact O-N 2.86Å; A104-L108 WeakPolarHBondContact O-CB 3.43Å; A104-L108 PolarHBondContact O-N 2.96Å
105G92.7Very high94Very high32 Ų3247.9 Ų47.933%0.3327%0.273SS..Hα-helixtrans-68.9-34.5178.700000113.1G102 V103 R109G102-G105 PolarHBondContact O-N 2.66Å; V103-G105 VanDerWaalsContact C-N 3.27Å; V103-G105 PolarHBondContact O-N 2.68Å; G105-R109 WeakPolarHBondContact O-CG 3.35Å; G105-R109 PolarHBondContact O-N 3.03Å; G105-R109 PolarHBondContact O-NH1 2.88Å
106V94.4Very high94Very high20 Ų2050.7 Ų50.712%0.12129%0.285CS..Hα-helixtrans-70.3-44.8174.5-170.90000110.4P16 L21 F23 G102 V103 R109 F110P16-V106 HydrophobicContact CG-CG1 4.1Å; L21-V106 HydrophobicContact CD1-CB 4.15Å; L21-V106 HydrophobicContact CD1-CG1 4.12Å; F23-V106 HydrophobicContact CE2-CG1 4.49Å; F23-V106 HydrophobicContact CZ-CG1 3.85Å; G102-V106 PolarHBondContact O-N 3.11Å; V103-V106 PolarHBondContact O-N 2.83Å; V103-V106 VanDerWaalsContact O-N 3.11Å; V106-R109 PolarHBondContact O-N 3.23Å; V106-F110 PolarHBondContact O-N 3.49Å
107L95.8Very high94.1Very high0 Ų051.5 Ų51.50%029%0.293CS..Hα-helixtrans-61-47.4178.5178.357.7000111.6F23 I64 A66 A74 E76 L92 V103 A104 R109 F110 C111F23-L107 HydrophobicContact CD1-CD1 3.82Å; F23-L107 HydrophobicContact CE1-CB 4.33Å; F23-L107 HydrophobicContact CE1-CD1 3.8Å; I64-L107 HydrophobicContact CB-CD1 4.23Å; I64-L107 HydrophobicContact CG2-CD1 3.66Å; A66-L107 HydrophobicContact CB-CD1 4.43Å; A74-L107 HydrophobicContact CB-CD2 3.74Å; E76-L107 HydrophobicContact CB-CD2 3.66Å; E76-L107 HydrophobicContact CB-CG 3.93Å; L92-L107 HydrophobicContact CD1-CD2 4.4Å; V103-L107 WeakPolarHBondContact O-CB 3.45Å; V103-L107 PolarHBondContact O-N 2.94Å; A104-L107 PolarHBondContact O-N 2.86Å; L107-R109 VanDerWaalsContact C-N 3.31Å; L107-R109 PolarHBondContact O-N 2.71Å; L107-F110 WeakPolarHBondContact O-CB 3.39Å; L107-F110 PolarHBondContact O-N 3.23Å; L107-F110 VanDerWaalsContact O-N 3.12Å; L107-C111 PolarHBondContact O-N 3.41Å; L107-C111 PolarHBondContact O-SG 2.83Å; L107-C111 VanDerWaalsContact O-SG 3.36Å
108L94.3Very high94.2Very high22 Ų2250 Ų5012%0.11528%0.284CS..Hα-helixtrans-60.5-38.9177.6179.860.7000112.5M87 V89 A104 C111 S112 T125M87-L108 HydrophobicContact CE-CD1 4.31Å; V89-L108 HydrophobicContact CB-CD1 4.43Å; V89-L108 HydrophobicContact CG1-CD1 3.9Å; V89-L108 HydrophobicContact CG2-CD1 4.08Å; A104-L108 WeakPolarHBondContact O-CB 3.43Å; A104-L108 PolarHBondContact O-N 2.96Å; L108-C111 PolarHBondContact O-N 2.89Å; L108-S112 WeakPolarHBondContact O-CB 3.47Å; L108-S112 PolarHBondContact O-N 3.36Å; L108-S112 PolarHBondContact O-OG 3.16Å; L108-T125 HydrophobicContact CD1-CG2 4.44Å
109R94Very high94.3Very high133 Ų13352.1 Ų52.150%0.50229%0.292SS..Hα-helixtrans-63.2-44.9174.1-77.6-167.9-57.8-89.25.6111.5G105 V106 L107 C111 S112 E113G105-R109 WeakPolarHBondContact O-CG 3.35Å; G105-R109 PolarHBondContact O-N 3.03Å; G105-R109 PolarHBondContact O-NH1 2.88Å; V106-R109 PolarHBondContact O-N 3.23Å; L107-R109 VanDerWaalsContact C-N 3.31Å; L107-R109 PolarHBondContact O-N 2.71Å; R109-C111 PolarHBondContact O-N 2.92Å; R109-S112 VanDerWaalsContact O-CB 3.31Å; R109-S112 WeakPolarHBondContact O-CB 3.37Å; R109-S112 PolarHBondContact O-N 3.36Å; R109-E113 WeakPolarHBondContact O-CG 3.25Å; R109-E113 PolarHBondContact O-N 3.22Å
110F95.3Very high94.4Very high3 Ų349.5 Ų49.51%0.01329%0.293CS..Hα-helixtrans-60.8-45.1176.2-179.5-88.1000111.9L12 P13 F23 I64 V106 L107 S112 E113 L114L12-F110 HydrophobicContact CB-CZ 4.09Å; L12-F110 HydrophobicContact CD2-CE1 4.17Å; L12-F110 HydrophobicContact CD2-CZ 3.85Å; L12-F110 HydrophobicContact CG-CZ 4.46Å; P13-F110 HydrophobicContact CB-CD2 4.31Å; P13-F110 HydrophobicContact CB-CE2 3.9Å; P13-F110 HydrophobicContact CG-CE2 4.06Å; P13-F110 HydrophobicContact CG-CZ 4.34Å; P13-F110 WeakPolarHBondContact O-CE2 3.35Å; F23-F110 HydrophobicContact CB-CD1 3.84Å; F23-F110 HydrophobicContact CB-CD2 4.07Å; F23-F110 HydrophobicContact CB-CE1 3.47Å; F23-F110 VanDerWaalsContact CB-CE1 3.47Å; F23-F110 HydrophobicContact CB-CE2 3.7Å; F23-F110 HydrophobicContact CB-CG 4.12Å; F23-F110 HydrophobicContact CB-CZ 3.38Å; F23-F110 HydrophobicContact CD1-CB 4.28Å; F23-F110 AromaticContact CD1-CD1 3.99Å; F23-F110 HydrophobicContact CD1-CD1 3.99Å; F23-F110 HydrophobicContact CD1-CD2 4.46Å; F23-F110 HydrophobicContact CD1-CE1 4.47Å; F23-F110 AromaticContact CD1-CG 3.97Å; F23-F110 HydrophobicContact CD1-CG 3.97Å; F23-F110 HydrophobicContact CD2-CB 4.31Å; F23-F110 HydrophobicContact CD2-CD1 4.33Å; F23-F110 AromaticContact CD2-CD2 3.4Å; F23-F110 HydrophobicContact CD2-CD2 3.4Å; F23-F110 VanDerWaalsContact CD2-CD2 3.4Å; F23-F110 AromaticContact CD2-CE2 3.68Å; F23-F110 HydrophobicContact CD2-CE2 3.68Å; F23-F110 AromaticContact CD2-CG 3.74Å; F23-F110 HydrophobicContact CD2-CG 3.74Å; F23-F110 HydrophobicContact CD2-CZ 4.26Å; F23-F110 HydrophobicContact CE1-CB 4.2Å; F23-F110 HydrophobicContact CE1-CG 4.35Å; F23-F110 HydrophobicContact CE2-CB 4.23Å; F23-F110 AromaticContact CE2-CD2 3.94Å; F23-F110 HydrophobicContact CE2-CD2 3.94Å; F23-F110 HydrophobicContact CE2-CG 4.15Å; F23-F110 HydrophobicContact CG-CB 4.35Å; F23-F110 AromaticContact CG-CD1 3.78Å; F23-F110 HydrophobicContact CG-CD1 3.78Å; F23-F110 AromaticContact CG-CD2 3.72Å; F23-F110 HydrophobicContact CG-CD2 3.72Å; F23-F110 AromaticContact CG-CE1 3.95Å; F23-F110 HydrophobicContact CG-CE1 3.95Å; F23-F110 AromaticContact CG-CE2 3.87Å; F23-F110 HydrophobicContact CG-CE2 3.87Å; F23-F110 AromaticContact CG-CG 3.66Å; F23-F110 HydrophobicContact CG-CG 3.66Å; F23-F110 AromaticContact CG-CZ 3.98Å; F23-F110 HydrophobicContact CG-CZ 3.98Å; F23-F110 HydrophobicContact CZ-CB 4.18Å; F23-F110 HydrophobicContact CZ-CG 4.45Å; I64-F110 HydrophobicContact CD1-CE1 4.45Å; I64-F110 HydrophobicContact CG2-CD1 3.84Å; I64-F110 HydrophobicContact CG2-CE1 3.86Å; V106-F110 PolarHBondContact O-N 3.49Å; L107-F110 WeakPolarHBondContact O-CB 3.39Å; L107-F110 PolarHBondContact O-N 3.23Å; L107-F110 VanDerWaalsContact O-N 3.12Å; F110-S112 VanDerWaalsContact C-N 3.28Å; F110-S112 PolarHBondContact O-N 2.84Å; F110-E113 PolarHBondContact O-N 2.97Å; F110-L114 HydrophobicContact CE1-CD2 4.34Å; F110-L114 WeakPolarHBondContact O-CB 3.23Å; F110-L114 PolarHBondContact O-N 3.42Å
111C96.3Very high94.7Very high0 Ų051.2 Ų51.20%028%0.281CS..Hα-helixtrans-57.8-43.1174.3-69.10000111.4A78 L107 L108 R109 L114 V115A78-C111 HydrophobicContact CB-CB 4.46Å; L107-C111 PolarHBondContact O-N 3.41Å; L107-C111 PolarHBondContact O-SG 2.83Å; L107-C111 VanDerWaalsContact O-SG 3.36Å; L108-C111 PolarHBondContact O-N 2.89Å; R109-C111 PolarHBondContact O-N 2.92Å; C111-L114 PolarHBondContact O-N 3.18Å; C111-V115 WeakPolarHBondContact O-CB 3.34Å; C111-V115 WeakPolarHBondContact O-CG2 3.49Å; C111-V115 PolarHBondContact O-N 3.3Å
112S95.5Very high95Very high21 Ų2145.3 Ų45.315%0.14726%0.255CS..Hα-helixtrans-60.3-49.7177.7-59.70000111.9L108 R109 F110 V115 K116 L333L108-S112 WeakPolarHBondContact O-CB 3.47Å; L108-S112 PolarHBondContact O-N 3.36Å; L108-S112 PolarHBondContact O-OG 3.16Å; R109-S112 VanDerWaalsContact O-CB 3.31Å; R109-S112 WeakPolarHBondContact O-CB 3.37Å; R109-S112 PolarHBondContact O-N 3.36Å; F110-S112 VanDerWaalsContact C-N 3.28Å; F110-S112 PolarHBondContact O-N 2.84Å; S112-V115 PolarHBondContact O-N 2.63Å; S112-K116 WeakPolarHBondContact O-CB 3.27Å; S112-K116 PolarHBondContact O-N 2.74Å; S112-L333 VanDerWaalsContact CB-CD1 3.41Å; S112-L333 WeakPolarHBondContact OG-CD1 3.34Å
113E95.3Very high95.2Very high94 Ų9448.4 Ų48.444%0.43926%0.255SS..Hα-helixtrans-62.5-44.2178.4-71.4169.5-170.800111.9P13 R109 F110 K116 S117P13-E113 HydrophobicContact CB-CB 4.47Å; P13-E113 HydrophobicContact CG-CB 4.13Å; R109-E113 WeakPolarHBondContact O-CG 3.25Å; R109-E113 PolarHBondContact O-N 3.22Å; F110-E113 PolarHBondContact O-N 2.97Å; E113-K116 PolarHBondContact O-N 3.3Å; E113-S117 WeakPolarHBondContact O-CB 3.43Å; E113-S117 PolarHBondContact O-N 3.04Å
114L95Very high95.3Very high11 Ų1148.7 Ų48.76%0.05826%0.257CS..Hα-helixtrans-62.1-48.2177.7176.866.7000111.5L12 P13 T62 I64 F110 C111 S117 K118L12-L114 HydrophobicContact CD2-CD1 4.19Å; L12-L114 HydrophobicContact CD2-CD2 4.24Å; P13-L114 HydrophobicContact CG-CB 4.07Å; P13-L114 HydrophobicContact CG-CD1 4.5Å; T62-L114 HydrophobicContact CG2-CD2 4.39Å; I64-L114 HydrophobicContact CD1-CD2 3.43Å; I64-L114 VanDerWaalsContact CD1-CD2 3.43Å; I64-L114 HydrophobicContact CG1-CD2 4.11Å; F110-L114 HydrophobicContact CE1-CD2 4.34Å; F110-L114 WeakPolarHBondContact O-CB 3.23Å; F110-L114 PolarHBondContact O-N 3.42Å; C111-L114 PolarHBondContact O-N 3.18Å; L114-S117 PolarHBondContact O-N 2.81Å; L114-K118 PolarHBondContact O-N 3.48Å; L114-K118 VanDerWaalsContact O-N 3.1Å
115V95.9Very high95.5Very high7 Ų747.3 Ų47.34%0.04225%0.245CC..Hα-helixtrans-65.7-43179.6166.90000110.7A78 V80 M87 C111 S112 S117 K118 Y119 V122A78-V115 HydrophobicContact CB-CG2 3.92Å; V80-V115 HydrophobicContact CG2-CG1 3.76Å; M87-V115 HydrophobicContact CB-CG1 4.07Å; M87-V115 HydrophobicContact CG-CB 4.36Å; M87-V115 HydrophobicContact CG-CG1 4.04Å; M87-V115 HydrophobicContact CG-CG2 4.15Å; M87-V115 HydrophobicContact SD-CB 3.58Å; M87-V115 VanDerWaalsContact SD-CB 3.58Å; M87-V115 HydrophobicContact SD-CG1 3.84Å; M87-V115 HydrophobicContact SD-CG2 3.53Å; M87-V115 VanDerWaalsContact SD-CG2 3.53Å; C111-V115 WeakPolarHBondContact O-CB 3.34Å; C111-V115 WeakPolarHBondContact O-CG2 3.49Å; C111-V115 PolarHBondContact O-N 3.3Å; S112-V115 PolarHBondContact O-N 2.63Å; V115-S117 VanDerWaalsContact C-N 3.3Å; V115-S117 PolarHBondContact O-N 2.82Å; V115-K118 PolarHBondContact O-N 3.25Å; V115-Y119 HydrophobicContact CG1-CD2 4.21Å; V115-Y119 WeakPolarHBondContact O-CA 3.38Å; V115-Y119 WeakPolarHBondContact O-CB 3.35Å; V115-Y119 PolarHBondContact O-N 3.35Å; V115-V122 HydrophobicContact CG1-CB 4.39Å; V115-V122 HydrophobicContact CG1-CG1 4.35Å; V115-V122 HydrophobicContact CG1-CG2 3.89Å
116K94.8Very high95.8Very high61 Ų6146.1 Ų46.127%0.26523%0.231SC..Hα-helixtrans-63.4-36178.3-167.661.1164.3171.80112.5S112 E113 Y119 P120 V122 L333S112-K116 WeakPolarHBondContact O-CB 3.27Å; S112-K116 PolarHBondContact O-N 2.74Å; E113-K116 PolarHBondContact O-N 3.3Å; K116-Y119 CarbonylContact O-C 3.56Å; K116-P120 PolarHBondContact NZ-O 3.2Å; K116-P120 WeakPolarHBondContact O-CA 3.16Å; K116-V122 PolarHBondContact NZ-O 3.42Å; K116-L333 HydrophobicContact CB-CD2 4.41Å; K116-L333 HydrophobicContact CD-CD2 4.35Å
117S94.6Very high95.9Very high92 Ų9246.3 Ų46.364%0.64323%0.231SC*.Hα-helixtrans-65-43.4173.7179.90000112.2E113 L114 V115E113-S117 WeakPolarHBondContact O-CB 3.43Å; E113-S117 PolarHBondContact O-N 3.04Å; L114-S117 PolarHBondContact O-N 2.81Å; V115-S117 VanDerWaalsContact C-N 3.3Å; V115-S117 PolarHBondContact O-N 2.82Å
118K94.1Very high95.9Very high93 Ų9347.6 Ų47.640%0.40424%0.239SC..Hα-helixtrans-79.3-31.6-178.9-172.4174.8173.6-171.90113.4L114 V115L114-K118 PolarHBondContact O-N 3.48Å; L114-K118 VanDerWaalsContact O-N 3.1Å; V115-K118 PolarHBondContact O-N 3.25Å
119Y95.3Very high95.9Very high64 Ų6448.3 Ų48.325%0.25124%0.24SC..  trans-134.880.4-175.5-53.7-80000109.6V80 V115 K116 D121 V122V80-Y119 HydrophobicContact CB-CD2 4.42Å; V80-Y119 HydrophobicContact CB-CE2 4.32Å; V80-Y119 HydrophobicContact CG1-CD1 4.48Å; V80-Y119 HydrophobicContact CG1-CG 4.36Å; V80-Y119 HydrophobicContact CG2-CD2 3.54Å; V80-Y119 HydrophobicContact CG2-CE2 3.63Å; V80-Y119 HydrophobicContact CG2-CG 4.1Å; V115-Y119 HydrophobicContact CG1-CD2 4.21Å; V115-Y119 WeakPolarHBondContact O-CA 3.38Å; V115-Y119 WeakPolarHBondContact O-CB 3.35Å; V115-Y119 PolarHBondContact O-N 3.35Å; K116-Y119 CarbonylContact O-C 3.56Å; Y119-D121 PolarHBondContact O-N 3.19Å; Y119-D121 VanDerWaalsContact O-N 3.11Å; Y119-V122 WeakPolarHBondContact O-CB 3.41Å; Y119-V122 WeakPolarHBondContact O-CG2 3.5Å; Y119-V122 PolarHBondContact O-N 3.18Å; Y119-V122 VanDerWaalsContact O-N 3.09Å
120P95.5Very high95.9Very high84 Ų8445.7 Ų45.755%0.54524%0.236SC..THydrogen-bonded Turntrans-59.2-26.4-174.9-27.236.9000114.4K116 V122K116-P120 PolarHBondContact NZ-O 3.2Å; K116-P120 WeakPolarHBondContact O-CA 3.16Å; P120-V122 VanDerWaalsContact C-N 3.28Å; P120-V122 PolarHBondContact O-N 3.26Å
121D96.7Very high95.7Very high126 Ų12649.2 Ų49.267%0.67426%0.255SS*.THydrogen-bonded Turntrans-77.2-7.5-179.2-62-40.5000114.1G84 Y119 K123G84-D121 CarbonylContact O-C 3.55Å; Y119-D121 PolarHBondContact O-N 3.19Å; Y119-D121 VanDerWaalsContact O-N 3.11Å; D121-K123 WeakPolarHBondContact O-CG 3.35Å; D121-K123 PolarHBondContact O-N 3.25Å
122V97.9Very high95.3Very high0 Ų058.1 Ų58.10%030%0.296CS..  trans-63.8123.4173.7175.90000109.3V80 G84 M87 V115 K116 Y119 P120 L333V80-V122 HydrophobicContact CG1-CG2 4.1Å; V80-V122 HydrophobicContact CG2-CG2 4.35Å; G84-V122 WeakPolarHBondContact O-CA 3.28Å; G84-V122 WeakPolarHBondContact O-CG2 3.26Å; G84-V122 PolarHBondContact O-N 2.82Å; M87-V122 HydrophobicContact CB-CG1 3.94Å; V115-V122 HydrophobicContact CG1-CB 4.39Å; V115-V122 HydrophobicContact CG1-CG1 4.35Å; V115-V122 HydrophobicContact CG1-CG2 3.89Å; K116-V122 PolarHBondContact NZ-O 3.42Å; Y119-V122 WeakPolarHBondContact O-CB 3.41Å; Y119-V122 WeakPolarHBondContact O-CG2 3.5Å; Y119-V122 PolarHBondContact O-N 3.18Å; Y119-V122 VanDerWaalsContact O-N 3.09Å; P120-V122 VanDerWaalsContact C-N 3.28Å; P120-V122 PolarHBondContact O-N 3.26Å; V122-L333 HydrophobicContact CB-CD2 4.18Å; V122-L333 HydrophobicContact CG1-CD2 3.45Å; V122-L333 VanDerWaalsContact CG1-CD2 3.45Å
123K97.3Very high95.1Very high113 Ų11358.2 Ų58.249%0.49130%0.295SS..  trans-103.1-30-175.6-65.5167.6-171.6170.50112.5E85 D121 L333E85-K123 PolarHBondContact O-N 3.09Å; E85-K123 IonicContact OE1-NZ 2.65Å; E85-K123 PolarHBondContact OE1-NZ 3.16Å; E85-K123 IonicContact OE2-NZ 3.92Å; D121-K123 WeakPolarHBondContact O-CG 3.35Å; D121-K123 PolarHBondContact O-N 3.25Å; K123-L333 PolarHBondContact O-N 2.77Å
124V97.8Very high95Very high14 Ų1454.8 Ų54.89%0.08529%0.285CS..EExtended strand (participates in β ladder)trans-141.1151.2-166.6-55.80000111.3E85 T86 M87 E330 S331E85-V124 PolarHBondContact O-N 3.24Å; T86-V124 WeakPolarHBondContact CA-O 3.47Å; T86-V124 HydrophobicContact CG2-CG2 3.99Å; T86-V124 WeakPolarHBondContact OG1-CG2 3.38Å; M87-V124 PolarHBondContact N-O 2.9Å; V124-E330 HydrophobicContact CB-CG 3.72Å; V124-E330 HydrophobicContact CG1-CG 4.31Å; V124-E330 HydrophobicContact CG2-CG 3.94Å; V124-E330 WeakPolarHBondContact CG2-OE2 3.35Å; V124-S331 CarbonylContact C-O 3.46Å; V124-S331 WeakPolarHBondContact CA-O 3.39Å
125T97.5Very high94.9Very high3 Ų359.2 Ų59.22%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-105.4130.5166.7-64.70000109.1M87 V89 L108 E330 S331 L333M87-T125 HydrophobicContact CE-CG2 3.61Å; M87-T125 WeakPolarHBondContact CE-OG1 3.28Å; M87-T125 CarbonylContact O-C 3.6Å; M87-T125 VanDerWaalsContact O-CA 3.27Å; M87-T125 WeakPolarHBondContact O-CA 3.48Å; V89-T125 HydrophobicContact CG1-CG2 4.21Å; V89-T125 HydrophobicContact CG2-CG2 4.08Å; L108-T125 HydrophobicContact CD1-CG2 4.44Å; T125-E330 CarbonylContact O-C 3.51Å; T125-E330 VanDerWaalsContact O-CA 3.26Å; T125-E330 WeakPolarHBondContact O-CA 3.38Å; T125-S331 PolarHBondContact N-O 2.86Å; T125-S331 PolarHBondContact O-N 3.24Å; T125-L333 WeakPolarHBondContact OG1-CD1 3.41Å
126R97.8Very high94.6Very high7 Ų766.9 Ų66.93%0.02635%0.347CS..EExtended strand (participates in β ladder)trans-120.1142.7178.2-163.7-179.9-65140.28.2110.1D82 T86 M87 L88 V89 P215 V328 V329 E330D82-R126 IonicContact OD1-NH1 3.83Å; D82-R126 IonicContact OD2-CZ 2.81Å; D82-R126 VanDerWaalsContact OD2-CZ 3.22Å; D82-R126 IonicContact OD2-NH1 3.87Å; D82-R126 PolarHBondContact OD2-NH1 3.12Å; D82-R126 IonicContact OD2-NH2 2.97Å; D82-R126 PolarHBondContact OD2-NH2 2.97Å; T86-R126 HydrophobicContact CG2-CB 3.75Å; T86-R126 PolarHBondContact OG1-NH2 2.95Å; M87-R126 PolarHBondContact O-N 3.31Å; L88-R126 WeakPolarHBondContact CA-O 3.29Å; L88-R126 WeakPolarHBondContact CD1-O 3.09Å; V89-R126 PolarHBondContact N-O 3.4Å; R126-P215 HydrophobicContact CG-CG 3.77Å; R126-P215 PolarHBondContact NH1-O 3.06Å; R126-V328 HydrophobicContact CG-CG1 3.96Å; R126-V329 WeakPolarHBondContact CA-O 3.26Å; R126-V329 WeakPolarHBondContact CG-O 3.34Å; R126-E330 IonicContact CZ-OE2 3.56Å; R126-E330 VanDerWaalsContact CZ-OE2 3.31Å; R126-E330 IonicContact NE-OE2 2.73Å; R126-E330 PolarHBondContact NE-OE2 2.99Å; R126-E330 IonicContact NH2-OE2 2.68Å; R126-E330 PolarHBondContact NH2-OE2 3.17Å
127L96.4Very high94.5Very high25 Ų2565.8 Ų65.813%0.13135%0.345CS..EExtended strand (participates in β ladder)trans-151.7165.717265.7153.4000110.7V89 R129 Y141 V329V89-L127 HydrophobicContact CG2-CB 3.7Å; V89-L127 HydrophobicContact CG2-CD2 4.41Å; V89-L127 HydrophobicContact CG2-CG 4.46Å; L127-R129 HydrophobicContact CD1-CG 3.88Å; L127-R129 HydrophobicContact CG-CG 4.43Å; L127-Y141 HydrophobicContact CD2-CD1 4.29Å; L127-Y141 HydrophobicContact CD2-CE1 3.6Å; L127-V329 HydrophobicContact CD1-CG2 4.47Å; L127-V329 HydrophobicContact CD2-CG2 3.76Å; L127-V329 HydrophobicContact CG-CG2 3.68Å; L127-V329 PolarHBondContact N-O 3.31Å; L127-V329 WeakPolarHBondContact O-CG2 3.47Å; L127-V329 PolarHBondContact O-N 3.18Å
128T96.8Very high94.4Very high26 Ų2666.5 Ų66.516%0.1634%0.336CS..EExtended strand (participates in β ladder)trans-116.1137.8177.7-48.50000109.5W213 Q326 C327 V328T128-W213 VanDerWaalsContact CB-O 3.3Å; T128-W213 WeakPolarHBondContact CB-O 3.28Å; T128-W213 HydrophobicContact CG2-CE3 3.61Å; T128-W213 HydrophobicContact CG2-CZ3 4.2Å; T128-W213 PolarHBondContact OG1-O 2.73Å; T128-Q326 HydrophobicContact CG2-CG 3.13Å; T128-C327 WeakPolarHBondContact CA-O 3.17Å; T128-V328 HydrophobicContact CG2-CG2 4.29Å
129R94.6Very high94.4Very high37 Ų3769.8 Ų69.814%0.1435%0.353CS..EExtended strand (participates in β ladder)trans-132.9149-174.5-69.9179.969.8172.50.7110.9L127 D131 L133 D137 Q326 C327 V329L127-R129 HydrophobicContact CD1-CG 3.88Å; L127-R129 HydrophobicContact CG-CG 4.43Å; R129-D131 WeakPolarHBondContact CB-OD1 3.35Å; R129-D131 IonicContact CZ-OD1 3.38Å; R129-D131 IonicContact CZ-OD2 3.7Å; R129-D131 IonicContact NE-OD1 3.55Å; R129-D131 PolarHBondContact NE-OD1 2.88Å; R129-D131 IonicContact NE-OD2 2.67Å; R129-D131 IonicContact NH2-OD1 3.54Å; R129-D131 PolarHBondContact NH2-OD1 3.15Å; R129-D131 IonicContact NH2-OD2 2.8Å; R129-D131 PolarHBondContact NH2-OD2 3.27Å; R129-L133 HydrophobicContact CB-CD2 4.48Å; R129-D137 IonicContact CZ-OD1 3.36Å; R129-D137 IonicContact NH1-OD1 3.73Å; R129-D137 PolarHBondContact NH1-OD1 3.21Å; R129-D137 IonicContact NH2-OD1 2.76Å; R129-D137 PolarHBondContact NH2-OD1 2.85Å; R129-D137 IonicContact NH2-OD2 3.32Å; R129-Q326 CarbonylContact O-C 3.48Å; R129-C327 PolarHBondContact N-O 2.93Å; R129-C327 PolarHBondContact O-N 2.95Å; R129-V329 HydrophobicContact CG-CG2 4.39Å
130D93.1Very high94.2Very high78 Ų7871.8 Ų71.842%0.41736%0.363SS..  trans-122.53.5171.965.4-14.8000113.9I149 W213 E325D130-I149 HydrophobicContact CB-CD1 4Å; D130-W213 HydrophobicContact CB-CH2 3.65Å; D130-W213 HydrophobicContact CB-CZ3 3.86Å; D130-E325 VanDerWaalsContact CA-O 3.31Å; D130-E325 WeakPolarHBondContact CA-O 3.35Å
131D90.9Very high94.3Very high77 Ų7768.8 Ų68.841%0.41234%0.341SS..SBendtrans-85.6159.3173.869.6-55.2000112.1R129 L133R129-D131 WeakPolarHBondContact CB-OD1 3.35Å; R129-D131 IonicContact CZ-OD1 3.38Å; R129-D131 IonicContact CZ-OD2 3.7Å; R129-D131 IonicContact NE-OD1 3.55Å; R129-D131 PolarHBondContact NE-OD1 2.88Å; R129-D131 IonicContact NE-OD2 2.67Å; R129-D131 IonicContact NH2-OD1 3.54Å; R129-D131 PolarHBondContact NH2-OD1 3.15Å; R129-D131 IonicContact NH2-OD2 2.8Å; R129-D131 PolarHBondContact NH2-OD2 3.27Å; D131-L133 PolarHBondContact O-N 3.01Å; D131-L133 VanDerWaalsContact O-N 3.11Å
132Q88.6Confident94.2Very high187 Ų18767.3 Ų67.387%0.87433%0.326SS*.  trans-69.1110.1-179.9-172.6177.31800110.6G134Q132-G134 PolarHBondContact O-N 3.09Å
133L91.1Very high94.1Very high23 Ų2370.5 Ų70.512%0.1234%0.342CS..  trans-68.3129.1176-58.1-179.5000111.3R129 D131 D137 F138 I143 C327 V329R129-L133 HydrophobicContact CB-CD2 4.48Å; D131-L133 PolarHBondContact O-N 3.01Å; D131-L133 VanDerWaalsContact O-N 3.11Å; L133-D137 HydrophobicContact CB-CB 4.27Å; L133-D137 HydrophobicContact CD2-CB 4.17Å; L133-F138 HydrophobicContact CB-CE1 3.81Å; L133-F138 HydrophobicContact CB-CE2 4.31Å; L133-F138 HydrophobicContact CB-CZ 3.57Å; L133-F138 HydrophobicContact CD1-CE1 3.96Å; L133-F138 HydrophobicContact CD1-CZ 4.44Å; L133-I143 HydrophobicContact CD1-CD1 4.38Å; L133-I143 HydrophobicContact CD1-CG1 4.3Å; L133-C327 HydrophobicContact CD1-CB 3.97Å; L133-V329 HydrophobicContact CD1-CG1 3.83Å
134G92.4Very high94.1Very high22 Ų2266.7 Ų66.723%0.22733%0.327CS..  trans-106.1178.117800000113.8Q132 K136 D137 F138Q132-G134 PolarHBondContact O-N 3.09Å; G134-K136 VanDerWaalsContact C-N 3.29Å; G134-K136 PolarHBondContact O-N 3.2Å; G134-D137 PolarHBondContact N-OD2 2.9Å; G134-D137 WeakPolarHBondContact O-CB 3.28Å; G134-D137 PolarHBondContact O-N 3.26Å; G134-F138 WeakPolarHBondContact O-CD2 3.36Å; G134-F138 PolarHBondContact O-N 2.76Å
135P93.6Very high94Very high105 Ų10567 Ų6768%0.68233%0.329SS*.Hα-helixtrans-52.2-42-179-28.935.8000114.4D137 F138 E139P135-D137 VanDerWaalsContact C-N 3.28Å; P135-D137 PolarHBondContact O-N 2.9Å; P135-F138 PolarHBondContact O-N 2.92Å; P135-F138 VanDerWaalsContact O-N 3.16Å; P135-E139 PolarHBondContact O-N 2.91Å; P135-E139 VanDerWaalsContact O-N 3.09Å
136K90.5Very high93.9Very high167 Ų16770.6 Ų70.673%0.72634%0.344SS*.Hα-helixtrans-65-30.5177.6-67.5-175178.1-178.40113.2G134 F138 K140G134-K136 VanDerWaalsContact C-N 3.29Å; G134-K136 PolarHBondContact O-N 3.2Å; K136-F138 VanDerWaalsContact C-N 3.35Å; K136-K140 PolarHBondContact O-N 3Å
137D92.3Very high93.9Very high39 Ų3970.5 Ų70.521%0.20934%0.344CS..Hα-helixtrans-70.3-37.4175.7-61.4-67.5000110.4R129 L133 G134 P135 E139 K140 Y141R129-D137 IonicContact CZ-OD1 3.36Å; R129-D137 IonicContact NH1-OD1 3.73Å; R129-D137 PolarHBondContact NH1-OD1 3.21Å; R129-D137 IonicContact NH2-OD1 2.76Å; R129-D137 PolarHBondContact NH2-OD1 2.85Å; R129-D137 IonicContact NH2-OD2 3.32Å; L133-D137 HydrophobicContact CB-CB 4.27Å; L133-D137 HydrophobicContact CD2-CB 4.17Å; G134-D137 PolarHBondContact N-OD2 2.9Å; G134-D137 WeakPolarHBondContact O-CB 3.28Å; G134-D137 PolarHBondContact O-N 3.26Å; P135-D137 VanDerWaalsContact C-N 3.28Å; P135-D137 PolarHBondContact O-N 2.9Å; D137-E139 VanDerWaalsContact C-N 3.33Å; D137-K140 PolarHBondContact O-N 2.91Å; D137-Y141 HydrophobicContact CB-CD2 4.44Å; D137-Y141 WeakPolarHBondContact O-CB 3.41Å; D137-Y141 WeakPolarHBondContact O-CD2 3.4Å; D137-Y141 PolarHBondContact O-N 3.42Å
138F93.1Very high94Very high107 Ų10769.3 Ų69.347%0.46934%0.338SS..Hα-helixtrans-73.5-22.4176.9-58.5-51.8000113.8L133 G134 P135 K136 K140 I143L133-F138 HydrophobicContact CB-CE1 3.81Å; L133-F138 HydrophobicContact CB-CE2 4.31Å; L133-F138 HydrophobicContact CB-CZ 3.57Å; L133-F138 HydrophobicContact CD1-CE1 3.96Å; L133-F138 HydrophobicContact CD1-CZ 4.44Å; G134-F138 WeakPolarHBondContact O-CD2 3.36Å; G134-F138 PolarHBondContact O-N 2.76Å; P135-F138 PolarHBondContact O-N 2.92Å; P135-F138 VanDerWaalsContact O-N 3.16Å; K136-F138 VanDerWaalsContact C-N 3.35Å; F138-K140 VanDerWaalsContact C-N 3.3Å; F138-I143 HydrophobicContact CD1-CD1 4.25Å; F138-I143 HydrophobicContact CE1-CD1 3.53Å; F138-I143 HydrophobicContact CE1-CG1 4.18Å; F138-I143 HydrophobicContact CZ-CD1 4.41Å
139E93.5Very high94.1Very high162 Ų16268.1 Ų68.176%0.75733%0.331SS*.Hα-helixtrans-68.9-31.9168.2-70.9170.5-171.400111.9P135 D137P135-E139 PolarHBondContact O-N 2.91Å; P135-E139 VanDerWaalsContact O-N 3.09Å; D137-E139 VanDerWaalsContact C-N 3.33Å
140K91.9Very high94.2Very high106 Ų10666.4 Ų66.446%0.46132%0.324SS..Hα-helixtrans-91.9-42.3-177.4-177.9177.2177.5-167.20112.9K136 D137 F138 S331K136-K140 PolarHBondContact O-N 3Å; D137-K140 PolarHBondContact O-N 2.91Å; F138-K140 VanDerWaalsContact C-N 3.3Å; K140-S331 WeakPolarHBondContact O-CB 3.39Å
141Y95.6Very high94.5Very high21 Ų2162.8 Ų62.88%0.08231%0.305CS..  trans-120.1140.3-168.4-56.6-71.1000112.2L127 D137 V329 E330L127-Y141 HydrophobicContact CD2-CD1 4.29Å; L127-Y141 HydrophobicContact CD2-CE1 3.6Å; D137-Y141 HydrophobicContact CB-CD2 4.44Å; D137-Y141 WeakPolarHBondContact O-CB 3.41Å; D137-Y141 WeakPolarHBondContact O-CD2 3.4Å; D137-Y141 PolarHBondContact O-N 3.42Å; Y141-V329 HydrophobicContact CD1-CB 4.45Å; Y141-V329 HydrophobicContact CD1-CG2 4.21Å; Y141-V329 HydrophobicContact CD2-CG2 4.44Å; Y141-V329 HydrophobicContact CG-CB 4.16Å; Y141-V329 HydrophobicContact CG-CG2 4.13Å; Y141-E330 CarbonylContact C-O 3.54Å; Y141-E330 VanDerWaalsContact CA-O 3.25Å; Y141-E330 WeakPolarHBondContact CA-O 3.46Å
142R96.1Very high94.8Very high94 Ų9459.2 Ų59.236%0.35529%0.286SS..EExtended strand (participates in β ladder)trans-86.1141.6159.955.4178.7170-87.86.5109.6I144 V329 E330 D332R142-I144 HydrophobicContact CG-CD1 4.33Å; R142-V329 CarbonylContact O-C 3.53Å; R142-V329 WeakPolarHBondContact O-CA 3.45Å; R142-E330 HydrophobicContact CG-CB 4.01Å; R142-E330 VanDerWaalsContact CG-O 3.24Å; R142-E330 WeakPolarHBondContact CG-O 3.44Å; R142-E330 IonicContact CZ-OE1 2.67Å; R142-E330 PolarHBondContact N-O 2.76Å; R142-E330 IonicContact NE-OE1 3.22Å; R142-E330 PolarHBondContact NE-OE1 2.92Å; R142-E330 IonicContact NH2-OE1 3.75Å; R142-E330 PolarHBondContact NH2-OE1 2.91Å; R142-E330 PolarHBondContact O-N 3.36Å; R142-D332 IonicContact CZ-OD1 2.82Å; R142-D332 IonicContact NH1-OD1 3.63Å; R142-D332 PolarHBondContact NH1-OD1 2.76Å; R142-D332 IonicContact NH1-OD2 3.62Å; R142-D332 IonicContact NH2-OD1 3.49Å; R142-D332 PolarHBondContact NH2-OD1 3.43Å
143I96.1Very high95.3Very high68 Ų6855.7 Ų55.735%0.34927%0.265SS..EExtended strand (participates in β ladder)trans-81.8128.5169.6-65.7165.3000108.2L133 F138 K146 V329L133-I143 HydrophobicContact CD1-CD1 4.38Å; L133-I143 HydrophobicContact CD1-CG1 4.3Å; F138-I143 HydrophobicContact CD1-CD1 4.25Å; F138-I143 HydrophobicContact CE1-CD1 3.53Å; F138-I143 HydrophobicContact CE1-CG1 4.18Å; F138-I143 HydrophobicContact CZ-CD1 4.41Å; I143-K146 HydrophobicContact CG2-CG 4.14Å; I143-V329 HydrophobicContact CG1-CG1 4.29Å
144I96.4Very high95.6Very high33 Ų3355.5 Ų55.517%0.16926%0.263CS..EExtended strand (participates in β ladder)trans-86.4-50173.1-58.4-55.5000109.8R142 N206 V328 E330R142-I144 HydrophobicContact CG-CD1 4.33Å; I144-N206 HydrophobicContact CG2-CB 4.42Å; I144-N206 VanDerWaalsContact CG2-ND2 3.34Å; I144-N206 WeakPolarHBondContact CG2-ND2 3.3Å; I144-V328 HydrophobicContact CB-CB 4.18Å; I144-V328 HydrophobicContact CB-CG1 3.85Å; I144-V328 HydrophobicContact CG1-CG1 4.12Å; I144-V328 HydrophobicContact CG2-CG1 4.33Å; I144-V328 PolarHBondContact N-O 3.03Å; I144-E330 HydrophobicContact CD1-CB 3.81Å; I144-E330 HydrophobicContact CG1-CB 3.84Å
145T96Very high95.9Very high21 Ų2159.6 Ų59.613%0.12927%0.271CS..EExtended strand (participates in β ladder)trans-165.6173.2176.3-171.60000111.8P205 I210 V328T145-P205 HydrophobicContact CG2-CB 4.22Å; T145-P205 HydrophobicContact CG2-CG 4.27Å; T145-P205 VanDerWaalsContact OG1-CB 3.27Å; T145-P205 WeakPolarHBondContact OG1-CB 3.42Å; T145-I210 HydrophobicContact CG2-CD1 3.48Å; T145-I210 VanDerWaalsContact CG2-CD1 3.48Å; T145-V328 HydrophobicContact CG2-CB 4.2Å; T145-V328 HydrophobicContact CG2-CG2 4.14Å; T145-V328 PolarHBondContact O-N 3.2Å
146K95.9Very high96.1Very high77 Ų7754.6 Ų54.634%0.33524%0.239SC..EExtended strand (participates in β ladder)trans-134.9148.7176.7-60.5-179.4163.1-152.50112.2I143 E325 Q326I143-K146 HydrophobicContact CG2-CG 4.14Å; K146-E325 IonicContact NZ-OE2 3.71Å; K146-E325 PolarHBondContact NZ-OE2 3.07Å; K146-Q326 CarbonylContact C-O 3.53Å; K146-Q326 WeakPolarHBondContact CA-O 3.34Å
147Q97.5Very high96.4Very high5 Ų549.8 Ų49.82%0.02322%0.219CC..EExtended strand (participates in β ladder)trans-131.5147169.8-69.4177-71.300109.8I210 M266 F298 L299 E325 Q326Q147-I210 HydrophobicContact CG-CD1 4.4Å; Q147-M266 PolarHBondContact NE2-O 3.46Å; Q147-F298 HydrophobicContact CB-CB 4.31Å; Q147-L299 CarbonylContact C-O 3.51Å; Q147-L299 WeakPolarHBondContact CA-O 3.47Å; Q147-L299 WeakPolarHBondContact CB-O 3.5Å; Q147-E325 CarbonylContact O-C 3.43Å; Q147-E325 VanDerWaalsContact O-CA 3.31Å; Q147-E325 WeakPolarHBondContact O-CA 3.38Å; Q147-Q326 HydrophobicContact CB-CB 4.43Å; Q147-Q326 PolarHBondContact N-O 2.64Å; Q147-Q326 PolarHBondContact O-N 3.34Å
148G97.8Very high96.7Very high0 Ų053.5 Ų53.50%024%0.235CC..EExtended strand (participates in β ladder)trans-72.7142.2166.900000110.4F298 L299G148-F298 WeakPolarHBondContact O-CA 3.34Å; G148-L299 PolarHBondContact N-O 3.24Å; G148-L299 PolarHBondContact O-N 2.89Å
149I98.3Very high96.9Very high2 Ų248.6 Ų48.61%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-107.3121.2176.6-59.9174.9000108.8D130 W213 Q296 F298 W304 T324 Q326D130-I149 HydrophobicContact CB-CD1 4Å; I149-W213 HydrophobicContact CD1-CH2 3.77Å; I149-W213 HydrophobicContact CD1-CZ2 4.41Å; I149-W213 HydrophobicContact CD1-CZ3 4.45Å; I149-Q296 HydrophobicContact CG2-CG 4.01Å; I149-F298 HydrophobicContact CD1-CE1 4.11Å; I149-F298 HydrophobicContact CG1-CD1 3.86Å; I149-F298 HydrophobicContact CG1-CE1 3.79Å; I149-W304 PolarHBondContact O-NE1 2.99Å; I149-T324 WeakPolarHBondContact CB-O 3.46Å; I149-T324 WeakPolarHBondContact CB-OG1 3.47Å; I149-T324 PolarHBondContact N-O 2.79Å; I149-Q326 HydrophobicContact CD1-CB 3.89Å; I149-Q326 HydrophobicContact CG1-CB 3.9Å
150L98.4Very high97Very high1 Ų143.6 Ų43.61%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-112.9120.3170.2172.356.7000109.1V152 Q296 I297 L299 M307 T308 L319L150-V152 HydrophobicContact CD1-CG1 3.97Å; L150-V152 HydrophobicContact CG-CG1 4.14Å; L150-Q296 CarbonylContact O-C 3.6Å; L150-Q296 WeakPolarHBondContact O-CA 3.47Å; L150-I297 HydrophobicContact CB-CB 4.26Å; L150-I297 HydrophobicContact CD2-CD1 3.95Å; L150-I297 HydrophobicContact CG-CD1 4.17Å; L150-I297 PolarHBondContact N-O 2.93Å; L150-I297 PolarHBondContact O-N 3.48Å; L150-L299 HydrophobicContact CB-CD2 3.95Å; L150-M307 HydrophobicContact CD2-CB 3.97Å; L150-M307 HydrophobicContact CD2-CG 3.51Å; L150-T308 WeakPolarHBondContact CD1-OG1 2.97Å; L150-L319 HydrophobicContact CD1-CD1 3.31Å
151L98Very high97.1Very high2 Ų243.4 Ų43.41%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-111.7119.2174.8-171.564000110.2L45 M294 Q296 V320 K321L45-L151 HydrophobicContact CD1-CD2 4.49Å; L151-M294 HydrophobicContact CD1-CG 3.58Å; L151-M294 HydrophobicContact CD1-SD 3.63Å; L151-M294 HydrophobicContact CD2-CG 4.21Å; L151-M294 HydrophobicContact CD2-SD 3.62Å; L151-M294 HydrophobicContact CG-CG 4.2Å; L151-M294 HydrophobicContact CG-SD 3.58Å; L151-M294 VanDerWaalsContact CG-SD 3.58Å; L151-Q296 HydrophobicContact CD1-CB 3.64Å; L151-Q296 HydrophobicContact CD1-CG 4.25Å; L151-V320 HydrophobicContact CB-CB 4.16Å; L151-V320 HydrophobicContact CD2-CB 3.84Å; L151-V320 HydrophobicContact CD2-CG1 3.68Å; L151-V320 HydrophobicContact CD2-CG2 4.4Å; L151-V320 HydrophobicContact CG-CB 3.83Å; L151-V320 HydrophobicContact CG-CG1 4.23Å; L151-V320 HydrophobicContact CG-CG2 4.11Å; L151-V320 PolarHBondContact O-N 3.41Å; L151-K321 HydrophobicContact CB-CG 4.26Å; L151-K321 HydrophobicContact CD2-CD 4.19Å; L151-K321 HydrophobicContact CD2-CG 4.13Å
152V98.4Very high97.1Very high1 Ų146 Ų461%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-120.3153.4175.1-59.80000111.1L150 F154 C295 C311 V317 D318L150-V152 HydrophobicContact CD1-CG1 3.97Å; L150-V152 HydrophobicContact CG-CG1 4.14Å; V152-F154 HydrophobicContact CG2-CD1 4.3Å; V152-F154 HydrophobicContact CG2-CE1 4.21Å; V152-C295 HydrophobicContact CG2-CB 3.88Å; V152-C295 PolarHBondContact N-O 3.01Å; V152-C295 PolarHBondContact O-N 3.47Å; V152-C311 HydrophobicContact CG1-CB 4.07Å; V152-V317 HydrophobicContact CB-CG2 3.91Å; V152-V317 HydrophobicContact CG1-CG2 4.1Å; V152-V317 HydrophobicContact CG2-CG2 4.16Å; V152-D318 CarbonylContact C-O 3.49Å; V152-D318 WeakPolarHBondContact CA-O 3.5Å; V152-D318 WeakPolarHBondContact CB-O 3.39Å
153R97.9Very high97Very high114 Ų11441.9 Ų41.943%0.4319%0.188SC..EExtended strand (participates in β ladder)trans-126.5148172.271178.3-171.8-163.5-2.4110.8V293 M294 D318 V320R153-V293 VanDerWaalsContact CA-O 3.27Å; R153-V293 WeakPolarHBondContact CA-O 3.34Å; R153-M294 HydrophobicContact CB-CE 4.36Å; R153-M294 HydrophobicContact CB-SD 4.1Å; R153-D318 HydrophobicContact CG-CB 3.54Å; R153-D318 IonicContact CZ-OD2 2.95Å; R153-D318 PolarHBondContact N-O 3.45Å; R153-D318 IonicContact NE-OD2 3.77Å; R153-D318 PolarHBondContact NE-OD2 3.1Å; R153-D318 IonicContact NH2-OD2 2.93Å; R153-D318 PolarHBondContact NH2-OD2 3.19Å; R153-D318 PolarHBondContact O-N 3.42Å; R153-V320 HydrophobicContact CB-CG2 3.73Å; R153-V320 HydrophobicContact CG-CG2 3.72Å
154F98.4Very high96.8Very high18 Ų1846.3 Ų46.38%0.07920%0.2CC..EExtended strand (participates in β ladder)trans-159.9169.3176.950.7-96000111.2V152 L159 L282 T286 V293 C295 V317V152-F154 HydrophobicContact CG2-CD1 4.3Å; V152-F154 HydrophobicContact CG2-CE1 4.21Å; F154-L159 HydrophobicContact CD1-CD2 4.29Å; F154-L159 HydrophobicContact CD2-CB 3.75Å; F154-L159 HydrophobicContact CD2-CD2 3.51Å; F154-L159 HydrophobicContact CD2-CG 4.22Å; F154-L159 HydrophobicContact CE1-CD2 4.01Å; F154-L159 HydrophobicContact CE2-CB 4.21Å; F154-L159 HydrophobicContact CE2-CD2 3.17Å; F154-L159 HydrophobicContact CE2-CG 4.29Å; F154-L159 HydrophobicContact CG-CB 4.31Å; F154-L159 HydrophobicContact CG-CD2 4.07Å; F154-L159 HydrophobicContact CZ-CD2 3.46Å; F154-L159 VanDerWaalsContact CZ-CD2 3.46Å; F154-L282 HydrophobicContact CE1-CD2 4.16Å; F154-L282 HydrophobicContact CZ-CD2 3.83Å; F154-T286 HydrophobicContact CE2-CG2 3.97Å; F154-T286 HydrophobicContact CZ-CG2 4.04Å; F154-V293 HydrophobicContact CD2-CB 3.96Å; F154-V293 HydrophobicContact CD2-CG2 4.33Å; F154-V293 HydrophobicContact CE1-CB 4.5Å; F154-V293 HydrophobicContact CE1-CG1 4.42Å; F154-V293 HydrophobicContact CE2-CB 3.43Å; F154-V293 VanDerWaalsContact CE2-CB 3.43Å; F154-V293 HydrophobicContact CE2-CG1 3.81Å; F154-V293 HydrophobicContact CE2-CG2 3.77Å; F154-V293 HydrophobicContact CZ-CB 3.74Å; F154-V293 HydrophobicContact CZ-CG1 3.62Å; F154-V293 HydrophobicContact CZ-CG2 4.44Å; F154-V293 PolarHBondContact N-O 3.38Å; F154-V293 VanDerWaalsContact N-O 3.11Å; F154-V293 PolarHBondContact O-N 2.97Å; F154-C295 HydrophobicContact CE1-CB 3.7Å; F154-C295 HydrophobicContact CZ-CB 4.15Å; F154-V317 HydrophobicContact CB-CB 4.04Å; F154-V317 HydrophobicContact CB-CG1 3.62Å; F154-V317 HydrophobicContact CD1-CB 4.12Å; F154-V317 HydrophobicContact CD1-CG1 3.8Å; F154-V317 HydrophobicContact CG-CG1 3.94Å
155R98.1Very high96.6Very high108 Ų10851.1 Ų51.141%0.40822%0.221SC..EExtended strand (participates in β ladder)trans-91.7128.4167.8-146.6-178.8-165.7-1640.9109.5E157 E158 L159R155-E157 PolarHBondContact O-N 3.26Å; R155-E158 HydrophobicContact CB-CB 4.19Å; R155-E158 HydrophobicContact CB-CG 4.09Å; R155-E158 WeakPolarHBondContact CD-OE1 3.25Å; R155-E158 PolarHBondContact O-N 3.41Å; R155-E158 VanDerWaalsContact O-N 3.17Å; R155-L159 PolarHBondContact O-N 3.46Å
156A97.9Very high96.2Very high0 Ų052.4 Ų52.40%023%0.227CC..Hα-helixtrans-57.6-39.2-174.700000112.2K160 L289 G291 V293A156-K160 VanDerWaalsContact O-CB 3.24Å; A156-K160 WeakPolarHBondContact O-CB 3.18Å; A156-K160 PolarHBondContact O-N 2.62Å; A156-L289 HydrophobicContact CB-CB 3.73Å; A156-G291 PolarHBondContact N-O 3.45Å; A156-V293 HydrophobicContact CB-CG2 4.07Å
157E97.3Very high95.6Very high67 Ų6750.2 Ų50.231%0.31322%0.219SC..Hα-helixtrans-65.6-40.3-179.9-61.493.1145.400112.7R155 L161 K290 G291R155-E157 PolarHBondContact O-N 3.26Å; E157-L161 PolarHBondContact O-N 3.01Å; E157-K290 WeakPolarHBondContact OE1-CA 3.32Å; E157-K290 WeakPolarHBondContact OE1-CB 3.21Å; E157-G291 PolarHBondContact OE1-N 2.77Å; E157-G291 PolarHBondContact OE2-N 3.19Å; E157-G291 VanDerWaalsContact OE2-N 3.1Å
158E97.5Very high94.2Very high116 Ų11652.3 Ų52.354%0.54223%0.233SC..Hα-helixtrans-73-45.2179.7-68.6168.2-157.700110.6R155 K160 L161 R162R155-E158 HydrophobicContact CB-CB 4.19Å; R155-E158 HydrophobicContact CB-CG 4.09Å; R155-E158 WeakPolarHBondContact CD-OE1 3.25Å; R155-E158 PolarHBondContact O-N 3.41Å; R155-E158 VanDerWaalsContact O-N 3.17Å; E158-K160 VanDerWaalsContact C-N 3.27Å; E158-K160 PolarHBondContact O-N 2.87Å; E158-L161 PolarHBondContact O-N 3.49Å; E158-R162 PolarHBondContact O-N 2.73Å
159L97.6Very high92.4Very high5 Ų555.9 Ų55.93%0.02626%0.258CS..Hα-helixtrans-58.8-42.1174.517965.3000110.8F154 R155 L161 R162 L163 L282 T286 L315 V317F154-L159 HydrophobicContact CD1-CD2 4.29Å; F154-L159 HydrophobicContact CD2-CB 3.75Å; F154-L159 HydrophobicContact CD2-CD2 3.51Å; F154-L159 HydrophobicContact CD2-CG 4.22Å; F154-L159 HydrophobicContact CE1-CD2 4.01Å; F154-L159 HydrophobicContact CE2-CB 4.21Å; F154-L159 HydrophobicContact CE2-CD2 3.17Å; F154-L159 HydrophobicContact CE2-CG 4.29Å; F154-L159 HydrophobicContact CG-CB 4.31Å; F154-L159 HydrophobicContact CG-CD2 4.07Å; F154-L159 HydrophobicContact CZ-CD2 3.46Å; F154-L159 VanDerWaalsContact CZ-CD2 3.46Å; R155-L159 PolarHBondContact O-N 3.46Å; L159-L161 VanDerWaalsContact C-N 3.3Å; L159-L161 PolarHBondContact O-N 3.36Å; L159-R162 CarbonylContact O-C 3.58Å; L159-R162 WeakPolarHBondContact O-CB 3.38Å; L159-R162 PolarHBondContact O-N 3.24Å; L159-R162 VanDerWaalsContact O-N 3.07Å; L159-L163 HydrophobicContact CD1-CD1 4.43Å; L159-L163 HydrophobicContact CD1-CD2 4.29Å; L159-L163 HydrophobicContact CD1-CG 4.04Å; L159-L163 HydrophobicContact CD2-CD1 4.33Å; L159-L163 HydrophobicContact CG-CD1 3.95Å; L159-L163 HydrophobicContact CG-CG 4.03Å; L159-L163 VanDerWaalsContact O-CG 3.31Å; L159-L163 WeakPolarHBondContact O-CG 3.37Å; L159-L163 PolarHBondContact O-N 2.81Å; L159-L282 HydrophobicContact CD1-CD1 4.43Å; L159-L282 HydrophobicContact CD2-CB 4.29Å; L159-L282 HydrophobicContact CD2-CD1 4.1Å; L159-L282 HydrophobicContact CD2-CD2 4.01Å; L159-L282 HydrophobicContact CD2-CG 4.37Å; L159-T286 HydrophobicContact CD2-CG2 4.41Å; L159-L315 HydrophobicContact CD1-CB 4.47Å; L159-L315 HydrophobicContact CD1-CD2 4.5Å; L159-V317 HydrophobicContact CD1-CG1 4.1Å
160K95.4Very high90.3Very high56 Ų5661 Ų6124%0.24330%0.301CS..Hα-helixtrans-58.7-40.1177.9175.6174.7179.6159.30112.8A156 E158 R164 N287A156-K160 VanDerWaalsContact O-CB 3.24Å; A156-K160 WeakPolarHBondContact O-CB 3.18Å; A156-K160 PolarHBondContact O-N 2.62Å; E158-K160 VanDerWaalsContact C-N 3.27Å; E158-K160 PolarHBondContact O-N 2.87Å; K160-R164 WeakPolarHBondContact O-CG 3.3Å; K160-R164 PolarHBondContact O-N 3.03Å; K160-N287 WeakPolarHBondContact CE-OD1 3.49Å; K160-N287 PolarHBondContact NZ-O 2.74Å; K160-N287 PolarHBondContact NZ-OD1 3.04Å
161L94.6Very high87.9Confident102 Ų10268.1 Ų68.153%0.53434%0.338SS..Hα-helixtrans-65.1-45.7174-66.9173.9000110.3E157 E158 L159 L163 R164 E165E157-L161 PolarHBondContact O-N 3.01Å; E158-L161 PolarHBondContact O-N 3.49Å; L159-L161 VanDerWaalsContact C-N 3.3Å; L159-L161 PolarHBondContact O-N 3.36Å; L161-L163 PolarHBondContact O-N 2.97Å; L161-R164 WeakPolarHBondContact O-CB 3.35Å; L161-R164 PolarHBondContact O-N 2.81Å; L161-E165 PolarHBondContact O-N 3.23Å
162R95.4Very high85.5Confident77 Ų7770.3 Ų70.329%0.29136%0.357SS..Hα-helixtrans-62-42179.7-173.455175.8169.80.5113.3E158 L159 R164 E165 I166 T314E158-R162 PolarHBondContact O-N 2.73Å; L159-R162 CarbonylContact O-C 3.58Å; L159-R162 WeakPolarHBondContact O-CB 3.38Å; L159-R162 PolarHBondContact O-N 3.24Å; L159-R162 VanDerWaalsContact O-N 3.07Å; R162-R164 VanDerWaalsContact C-N 3.26Å; R162-R164 PolarHBondContact O-N 2.82Å; R162-E165 WeakPolarHBondContact CD-OE2 3.46Å; R162-E165 IonicContact CZ-OE2 2.71Å; R162-E165 IonicContact NE-OE2 3.99Å; R162-E165 IonicContact NH1-OE2 2.77Å; R162-E165 PolarHBondContact NH1-OE2 2.89Å; R162-E165 WeakPolarHBondContact O-CB 3.44Å; R162-E165 PolarHBondContact O-N 2.99Å; R162-E165 VanDerWaalsContact O-N 3.1Å; R162-I166 PolarHBondContact O-N 3.44Å; R162-T314 VanDerWaalsContact CZ-O 3.25Å; R162-T314 PolarHBondContact NE-O 2.86Å; R162-T314 PolarHBondContact NH2-O 3.43Å
163L94.4Very high82.9Confident7 Ų780 Ų804%0.03740%0.402CS..Hα-helixtrans-60.7-35177.3-70.7175.7000112.1L159 L161 E165 I166 I167 L279 L282 Q283 L315L159-L163 HydrophobicContact CD1-CD1 4.43Å; L159-L163 HydrophobicContact CD1-CD2 4.29Å; L159-L163 HydrophobicContact CD1-CG 4.04Å; L159-L163 HydrophobicContact CD2-CD1 4.33Å; L159-L163 HydrophobicContact CG-CD1 3.95Å; L159-L163 HydrophobicContact CG-CG 4.03Å; L159-L163 VanDerWaalsContact O-CG 3.31Å; L159-L163 WeakPolarHBondContact O-CG 3.37Å; L159-L163 PolarHBondContact O-N 2.81Å; L161-L163 PolarHBondContact O-N 2.97Å; L163-E165 VanDerWaalsContact C-N 3.28Å; L163-E165 PolarHBondContact O-N 3.1Å; L163-I166 HydrophobicContact CD2-CD1 4.1Å; L163-I166 PolarHBondContact O-N 2.63Å; L163-I167 HydrophobicContact CB-CD1 4.38Å; L163-I167 HydrophobicContact CD2-CD1 4.19Å; L163-I167 VanDerWaalsContact O-CB 3.3Å; L163-I167 WeakPolarHBondContact O-CB 3.17Å; L163-I167 WeakPolarHBondContact O-CG1 3.28Å; L163-I167 PolarHBondContact O-N 3.06Å; L163-L279 HydrophobicContact CD2-CD2 3.7Å; L163-L282 HydrophobicContact CD1-CB 4.07Å; L163-L282 HydrophobicContact CD2-CB 4.47Å; L163-Q283 HydrophobicContact CD1-CB 4.27Å; L163-L315 HydrophobicContact CD2-CD2 4.19Å
164R91.9Very high80.3Confident161 Ų16177.3 Ų77.361%0.60840%0.4SS*.Hα-helixtrans-68.8-25.2176.7-69.9169.1178178.5-5.4113.5K160 L161 R162K160-R164 WeakPolarHBondContact O-CG 3.3Å; K160-R164 PolarHBondContact O-N 3.03Å; L161-R164 WeakPolarHBondContact O-CB 3.35Å; L161-R164 PolarHBondContact O-N 2.81Å; R162-R164 VanDerWaalsContact C-N 3.26Å; R162-R164 PolarHBondContact O-N 2.82Å
165E91.3Very high77.7Confident133 Ų13382.4 Ų82.462%0.62144%0.438SS*.Hα-helixtrans-79.2-35.9177.7-63.3172.9173.500111.7L161 R162 L163L161-E165 PolarHBondContact O-N 3.23Å; R162-E165 WeakPolarHBondContact CD-OE2 3.46Å; R162-E165 IonicContact CZ-OE2 2.71Å; R162-E165 IonicContact NE-OE2 3.99Å; R162-E165 IonicContact NH1-OE2 2.77Å; R162-E165 PolarHBondContact NH1-OE2 2.89Å; R162-E165 WeakPolarHBondContact O-CB 3.44Å; R162-E165 PolarHBondContact O-N 2.99Å; R162-E165 VanDerWaalsContact O-N 3.1Å; L163-E165 VanDerWaalsContact C-N 3.28Å; L163-E165 PolarHBondContact O-N 3.1Å
166I88.4Confident75.4Confident48 Ų4885.4 Ų85.425%0.24646%0.457CS..Hα-helixtrans-97.2-24.8-172.570.1-176.3000113.6R162 L163 P168 L279 T314 L315R162-I166 PolarHBondContact O-N 3.44Å; L163-I166 HydrophobicContact CD2-CD1 4.1Å; L163-I166 PolarHBondContact O-N 2.63Å; I166-P168 WeakPolarHBondContact O-CD 3.42Å; I166-L279 HydrophobicContact CD1-CD2 3.69Å; I166-T314 HydrophobicContact CD1-CG2 4.45Å; I166-T314 HydrophobicContact CG2-CG2 4.42Å; I166-L315 HydrophobicContact CD1-CD2 3.37Å
167I83.3Confident73.3Confident32 Ų3290.9 Ų90.916%0.16448%0.483CS..SBendtrans-98.3106.7175.1-54.4177.7000106.9L163 S169 L279 Q283L163-I167 HydrophobicContact CB-CD1 4.38Å; L163-I167 HydrophobicContact CD2-CD1 4.19Å; L163-I167 VanDerWaalsContact O-CB 3.3Å; L163-I167 WeakPolarHBondContact O-CB 3.17Å; L163-I167 WeakPolarHBondContact O-CG1 3.28Å; L163-I167 PolarHBondContact O-N 3.06Å; I167-S169 PolarHBondContact O-N 3.26Å; I167-L279 HydrophobicContact CD1-CB 4.29Å; I167-Q283 HydrophobicContact CD1-CB 4.31Å
168P67.3Low71.3Confident48 Ų4891.4 Ų91.431%0.31249%0.491SS..  trans-57.7137.8176.7-18.930.6000109.9I166 A172 S174I166-P168 WeakPolarHBondContact O-CD 3.42Å; P168-A172 HydrophobicContact CB-CB 4.37Å; P168-S174 WeakPolarHBondContact CG-OG 3.38Å
169S60.4Low69.7Low76 Ų7688.2 Ų88.253%0.53149%0.49SS..  trans-59144.3166.762.60000109I167 D171 A172I167-S169 PolarHBondContact O-N 3.26Å; S169-D171 PolarHBondContact O-N 3.48Å; S169-A172 PolarHBondContact O-N 3.24Å
170A53.6Low68.7Low110 Ų11092.5 Ų92.591%0.90952%0.518SS*.THydrogen-bonded Turntrans-51.9-19.5178.400000114.3
171D48.7Very low68.3Low149 Ų14994.2 Ų94.280%0.79754%0.535SS*.THydrogen-bonded Turntrans-81.3-9.2176.7-60.4-35.3000114.7S169S169-D171 PolarHBondContact O-N 3.48Å
172A47.9Very low68.3Low48 Ų4890.5 Ų90.540%0.39752%0.517SS..SBendtrans-96.9102.9179.400000109.6P168 S169 S174P168-A172 HydrophobicContact CB-CB 4.37Å; S169-A172 PolarHBondContact O-N 3.24Å; A172-S174 PolarHBondContact O-N 2.98Å
173H43.4Very low68.4Low206 Ų20689.6 Ų89.695%0.95452%0.52SS*.  trans-6076.6167.4-67.5-64.8000110.9
174S44.2Very low68.5Low56 Ų5693.6 Ų93.639%0.39254%0.538SS..  trans-107.5114.3171.4770000109P168 A172 Q176P168-S174 WeakPolarHBondContact CG-OG 3.38Å; A172-S174 PolarHBondContact O-N 2.98Å; S174-Q176 PolarHBondContact O-N 3.09Å
175S43.8Very low68.8Low126 Ų12686.1 Ų86.188%0.88151%0.51SS*.THydrogen-bonded Turntrans-75.135.9-177.550.40000113.2
176Q49Very low69Low171 Ų17183.8 Ų83.880%0.79950%0.502SS*.THydrogen-bonded Turntrans-126.41.5-171.6-73.8-172.5-11.500115.1S174 P178S174-Q176 PolarHBondContact O-N 3.09Å; Q176-P178 WeakPolarHBondContact O-CD 3.37Å
177Q53.4Low69.4Low115 Ų11587.2 Ų87.254%0.53752%0.517SS..  trans-82124169.8-72-154.8-35.900110.8G179Q177-G179 PolarHBondContact O-N 3.33Å
178P55.6Low70Confident77 Ų7790.2 Ų90.250%0.554%0.537SS..  trans-79.6100175.527.7-22.5000108.8Q176 S272 Q276Q176-P178 WeakPolarHBondContact O-CD 3.37Å; P178-S272 WeakPolarHBondContact CG-OG 3.32Å; P178-Q276 PolarHBondContact O-NE2 3.45Å
179G64.3Low71.4Confident49 Ų4989.9 Ų89.951%0.50554%0.536SS..SBendtrans90.9174.3170.200000116Q177Q177-G179 PolarHBondContact O-N 3.33Å
180P76.7Confident73.1Confident95 Ų9586.5 Ų86.562%0.61751%0.512SS*.SBendtrans-66.4153.617829.5-34.1000111.4
181P86.6Confident75.2Confident93 Ų9384.4 Ų84.460%0.60448%0.483SS*.PPolyproline II helixtrans-64.5153.3176.828.7-35.4000111.4V183P181-V183 PolarHBondContact O-N 2.93Å
182P94.8Very high77.4Confident24 Ų2483 Ų8316%0.15647%0.471CS..PPolyproline II helixtrans-51.9138.6173.3-26.333.9000112.3L234 V235 Q276 Q277 C280P182-L234 HydrophobicContact CB-CB 4.42Å; P182-L234 HydrophobicContact CB-CD1 4.25Å; P182-V235 CarbonylContact C-O 3.58Å; P182-V235 WeakPolarHBondContact CA-O 3.22Å; P182-Q276 HydrophobicContact CG-CB 4.01Å; P182-Q277 HydrophobicContact CG-CG 4.31Å; P182-C280 HydrophobicContact CG-CB 4.3Å
183V97.1Very high79.7Confident57 Ų5781 Ų8135%0.34545%0.454SS..EExtended strand (participates in β ladder)trans-93.6123.8-178.5-173.40000109.7P181 L234 V235 V238P181-V183 PolarHBondContact O-N 2.93Å; V183-L234 WeakPolarHBondContact O-CA 3.47Å; V183-V235 HydrophobicContact CB-CG2 4.2Å; V183-V235 PolarHBondContact N-O 2.93Å; V183-V235 PolarHBondContact O-N 2.94Å; V183-V238 HydrophobicContact CB-CG1 4.05Å; V183-V238 HydrophobicContact CG1-CG1 3.66Å; V183-V238 HydrophobicContact CG2-CG1 4.41Å
184H97.2Very high82.2Confident91 Ų9171.3 Ų71.342%0.42141%0.409SS..EExtended strand (participates in β ladder)trans-77.8127.3172.7-176.9-71000110.8D232 W233 L234H184-D232 IonicContact CD2-OD1 2.73Å; H184-D232 PolarHBondContact CD2-OD1 2.77Å; H184-D232 VanDerWaalsContact CD2-OD1 3.32Å; H184-D232 IonicContact CD2-OD2 3.36Å; H184-D232 IonicContact NE2-OD1 3.46Å; H184-D232 PolarHBondContact NE2-OD1 3.24Å; H184-W233 WeakPolarHBondContact CA-O 3.08Å; H184-L234 HydrophobicContact CB-CD2 3.79Å
185L97.8Very high84.6Confident4 Ų470.9 Ų70.92%0.02140%0.402CS..PPolyproline II helixtrans-88.6132.2-179.7-56.7-175.4000111.1I190 L193 Y194 W233 V235 V238L185-I190 HydrophobicContact CB-CD1 4.4Å; L185-I190 HydrophobicContact CB-CG1 3.69Å; L185-I190 HydrophobicContact CD1-CG1 4.19Å; L185-L193 HydrophobicContact CD1-CD2 4.01Å; L185-Y194 HydrophobicContact CD1-CE2 3.83Å; L185-W233 HydrophobicContact CB-CB 4.06Å; L185-W233 HydrophobicContact CD1-CB 4.47Å; L185-W233 HydrophobicContact CG-CB 4.5Å; L185-W233 PolarHBondContact N-O 2.81Å; L185-V235 HydrophobicContact CD1-CG1 3.88Å; L185-V235 HydrophobicContact CD1-CG2 4.43Å; L185-V235 HydrophobicContact CD2-CG2 3.71Å; L185-V235 HydrophobicContact CG-CG1 4.43Å; L185-V235 HydrophobicContact CG-CG2 4.22Å; L185-V238 HydrophobicContact CD2-CG1 3.9Å
186D96.6Very high86.9Confident84 Ų8470 Ų7045%0.44939%0.391SS..PPolyproline II helixtrans-84.2173.6163.371.4-4.4000110.6T188 S189 I190D186-T188 PolarHBondContact O-N 3.19Å; D186-T188 PolarHBondContact OD1-N 3.37Å; D186-S189 PolarHBondContact O-N 2.94Å; D186-S189 WeakPolarHBondContact OD1-CB 3.01Å; D186-S189 PolarHBondContact OD1-N 2.88Å; D186-S189 PolarHBondContact OD1-OG 3.26Å; D186-I190 VanDerWaalsContact O-CG1 3.28Å; D186-I190 WeakPolarHBondContact O-CG1 3.45Å; D186-I190 PolarHBondContact O-N 2.73Å
187Q95.9Very high88.9Confident120 Ų12063.7 Ų63.756%0.56137%0.365SS*.Hα-helixtrans-56.8-39.5-179.3-178.3171.8-1.700112.5I190 H191 L227Q187-I190 PolarHBondContact O-N 3.5Å; Q187-H191 PolarHBondContact O-CD2 3.48Å; Q187-H191 PolarHBondContact O-N 2.76Å; Q187-L227 HydrophobicContact CG-CD1 3.86Å; Q187-L227 HydrophobicContact CG-CD2 4.15Å
188T95.9Very high90.8Very high96 Ų9664.3 Ų64.359%0.58937%0.372SS*.Hα-helixtrans-62.5-46.7178.7-51.40000111.3D186 H191 Q192D186-T188 PolarHBondContact O-N 3.19Å; D186-T188 PolarHBondContact OD1-N 3.37Å; T188-H191 PolarHBondContact O-N 3.35Å; T188-Q192 PolarHBondContact O-N 2.9Å
189S96.5Very high92.6Very high41 Ų4163.1 Ų63.129%0.28736%0.361SS..Hα-helixtrans-68-36.4-179.8-52.70000111.6D186 Q192 L193D186-S189 PolarHBondContact O-N 2.94Å; D186-S189 WeakPolarHBondContact OD1-CB 3.01Å; D186-S189 PolarHBondContact OD1-N 2.88Å; D186-S189 PolarHBondContact OD1-OG 3.26Å; S189-Q192 PolarHBondContact O-N 2.77Å; S189-L193 WeakPolarHBondContact O-CB 3.39Å; S189-L193 PolarHBondContact O-N 3.38Å
190I97.1Very high94Very high5 Ų560.8 Ų60.83%0.02634%0.337CS..Hα-helixtrans-60-51.4172.2-67.1164.4000109.9L185 D186 Q187 Q192 L193 Y194 I223 L227 W233L185-I190 HydrophobicContact CB-CD1 4.4Å; L185-I190 HydrophobicContact CB-CG1 3.69Å; L185-I190 HydrophobicContact CD1-CG1 4.19Å; D186-I190 VanDerWaalsContact O-CG1 3.28Å; D186-I190 WeakPolarHBondContact O-CG1 3.45Å; D186-I190 PolarHBondContact O-N 2.73Å; Q187-I190 PolarHBondContact O-N 3.5Å; I190-Q192 VanDerWaalsContact C-N 3.34Å; I190-Q192 PolarHBondContact O-N 2.68Å; I190-L193 PolarHBondContact O-N 2.79Å; I190-Y194 HydrophobicContact CG2-CD2 4.17Å; I190-Y194 WeakPolarHBondContact O-CB 3.48Å; I190-Y194 WeakPolarHBondContact O-CD2 3.32Å; I190-Y194 PolarHBondContact O-N 3.48Å; I190-I223 HydrophobicContact CG2-CG2 4.08Å; I190-L227 HydrophobicContact CD1-CD2 3.81Å; I190-L227 HydrophobicContact CG2-CD2 4.38Å; I190-W233 HydrophobicContact CD1-CB 4.12Å; I190-W233 HydrophobicContact CD1-CD2 3.85Å; I190-W233 HydrophobicContact CD1-CE3 4.49Å; I190-W233 HydrophobicContact CD1-CG 3.66Å; I190-W233 HydrophobicContact CG1-CB 4.34Å; I190-W233 HydrophobicContact CG1-CD2 4.12Å; I190-W233 HydrophobicContact CG1-CE3 4.29Å; I190-W233 HydrophobicContact CG1-CG 4.16Å; I190-W233 HydrophobicContact CG2-CE3 4.43Å; I190-W233 HydrophobicContact CG2-CH2 4.36Å; I190-W233 HydrophobicContact CG2-CZ3 4.27Å
191H95.9Very high94.8Very high65 Ų6560.3 Ų60.330%0.30133%0.326SS..Hα-helixtrans-58.9-45.7178.9-86.6-77.7000111.9Q187 T188 L195 L227Q187-H191 PolarHBondContact O-CD2 3.48Å; Q187-H191 PolarHBondContact O-N 2.76Å; T188-H191 PolarHBondContact O-N 3.35Å; H191-L195 WeakPolarHBondContact ND1-CD1 3.36Å; H191-L195 VanDerWaalsContact O-CB 3.29Å; H191-L195 WeakPolarHBondContact O-CB 3.48Å; H191-L195 PolarHBondContact O-N 2.86Å; H191-L195 VanDerWaalsContact O-N 3.13Å; H191-L227 WeakPolarHBondContact NE2-CD1 3.38Å
192Q95.3Very high94.8Very high119 Ų11963.3 Ų63.356%0.55634%0.337SS*.Iπ-helixtrans-62.6-54.2179-175.4173.9-8.200111T188 S189 I190 Y194 T196 T197T188-Q192 PolarHBondContact O-N 2.9Å; S189-Q192 PolarHBondContact O-N 2.77Å; I190-Q192 VanDerWaalsContact C-N 3.34Å; I190-Q192 PolarHBondContact O-N 2.68Å; Q192-Y194 PolarHBondContact O-N 3.49Å; Q192-T196 WeakPolarHBondContact CA-OG1 3.32Å; Q192-T196 PolarHBondContact O-N 2.86Å; Q192-T196 VanDerWaalsContact O-N 3.09Å; Q192-T196 PolarHBondContact O-OG1 2.94Å; Q192-T197 PolarHBondContact O-N 3.3Å
193L95.8Very high94.9Very high8 Ų862.6 Ų62.64%0.04233%0.333CS..Iπ-helixtrans-68.1-42.2-171.9-169.261000112.8L185 S189 I190 T197 L199 M200 V235 P241L185-L193 HydrophobicContact CD1-CD2 4.01Å; S189-L193 WeakPolarHBondContact O-CB 3.39Å; S189-L193 PolarHBondContact O-N 3.38Å; I190-L193 PolarHBondContact O-N 2.79Å; L193-T197 PolarHBondContact O-OG1 2.93Å; L193-L199 HydrophobicContact CD1-CB 4.17Å; L193-L199 HydrophobicContact CD1-CD1 3.83Å; L193-M200 HydrophobicContact CD2-CG 4.48Å; L193-M200 HydrophobicContact CD2-SD 3.94Å; L193-M200 HydrophobicContact CG-CG 3.9Å; L193-M200 HydrophobicContact CG-SD 3.96Å; L193-V235 HydrophobicContact CD2-CG1 3.78Å; L193-V235 HydrophobicContact CD2-CG2 4.42Å; L193-P241 HydrophobicContact CD1-CG 4.02Å; L193-P241 HydrophobicContact CD2-CG 4.32Å
194Y96.3Very high94.9Very high2 Ų260.1 Ų60.11%0.00832%0.317CS..Iπ-helixtrans-92-16.1-172.6-72.4-98.3000114.7L185 I190 Q192 M200 L204 I209 L218 W233L185-Y194 HydrophobicContact CD1-CE2 3.83Å; I190-Y194 HydrophobicContact CG2-CD2 4.17Å; I190-Y194 WeakPolarHBondContact O-CB 3.48Å; I190-Y194 WeakPolarHBondContact O-CD2 3.32Å; I190-Y194 PolarHBondContact O-N 3.48Å; Q192-Y194 PolarHBondContact O-N 3.49Å; Y194-M200 HydrophobicContact CD1-CB 4.32Å; Y194-M200 HydrophobicContact CD1-CE 4.3Å; Y194-M200 HydrophobicContact CD1-CG 3.88Å; Y194-M200 HydrophobicContact CD2-CG 4.38Å; Y194-M200 HydrophobicContact CE1-CE 3.47Å; Y194-M200 VanDerWaalsContact CE1-CE 3.47Å; Y194-M200 HydrophobicContact CE1-CG 4Å; Y194-M200 HydrophobicContact CE1-SD 4.31Å; Y194-M200 HydrophobicContact CE2-CE 4.41Å; Y194-M200 HydrophobicContact CE2-CG 4.46Å; Y194-M200 HydrophobicContact CG-CG 4.1Å; Y194-M200 WeakPolarHBondContact OH-CE 3.19Å; Y194-L204 HydrophobicContact CD1-CD1 4.3Å; Y194-L204 HydrophobicContact CE1-CD1 4.2Å; Y194-I209 HydrophobicContact CD1-CD1 3.69Å; Y194-I209 HydrophobicContact CD1-CG1 4.3Å; Y194-I209 HydrophobicContact CE1-CD1 3.93Å; Y194-I209 HydrophobicContact CE1-CG1 4.27Å; Y194-L218 HydrophobicContact CD1-CD2 3.9Å; Y194-W233 HydrophobicContact CD1-CZ3 4.19Å; Y194-W233 HydrophobicContact CD2-CE3 4.48Å; Y194-W233 HydrophobicContact CD2-CZ3 4.17Å; Y194-W233 HydrophobicContact CE1-CE3 4.38Å; Y194-W233 AromaticContact CE1-CZ3 3.74Å; Y194-W233 HydrophobicContact CE1-CZ3 3.74Å; Y194-W233 AromaticContact CE2-CE3 3.74Å; Y194-W233 HydrophobicContact CE2-CE3 3.74Å; Y194-W233 AromaticContact CE2-CZ3 3.74Å; Y194-W233 HydrophobicContact CE2-CZ3 3.74Å; Y194-W233 HydrophobicContact CG-CZ3 4.38Å; Y194-W233 AromaticContact CZ-CE3 3.67Å; Y194-W233 AromaticContact CZ-CZ3 3.49Å; Y194-W233 VanDerWaalsContact CZ-CZ3 3.49Å
195L95.4Very high94.7Very high47 Ų4757.4 Ų57.425%0.24631%0.308CS..Iπ-helixtrans-123.8-25.2-176.8-59.1172.3000114.7H191 L219 P220 I223H191-L195 WeakPolarHBondContact ND1-CD1 3.36Å; H191-L195 VanDerWaalsContact O-CB 3.29Å; H191-L195 WeakPolarHBondContact O-CB 3.48Å; H191-L195 PolarHBondContact O-N 2.86Å; H191-L195 VanDerWaalsContact O-N 3.13Å; L195-L219 VanDerWaalsContact CD2-C 3.49Å; L195-P220 HydrophobicContact CD1-CB 4.27Å; L195-P220 HydrophobicContact CD1-CG 4.26Å; L195-P220 HydrophobicContact CD2-CG 4.37Å; L195-I223 HydrophobicContact CD1-CB 4.15Å; L195-I223 HydrophobicContact CD1-CG1 4.02Å; L195-I223 HydrophobicContact CD1-CG2 4.32Å; L195-I223 HydrophobicContact CD2-CG1 3.67Å; L195-I223 HydrophobicContact CG-CG1 3.91Å
196T92.5Very high94.6Very high106 Ų10662.4 Ų62.465%0.6533%0.334SS*.Iπ-helixtrans-107.6-10.6-174.975.30000113.8Q192Q192-T196 WeakPolarHBondContact CA-OG1 3.32Å; Q192-T196 PolarHBondContact O-N 2.86Å; Q192-T196 VanDerWaalsContact O-N 3.09Å; Q192-T196 PolarHBondContact O-OG1 2.94Å
197T90.4Very high94.4Very high39 Ų3959.7 Ų59.724%0.23932%0.324CS..  trans-122.3157.3177.280.30000111.2Q192 L193 L199Q192-T197 PolarHBondContact O-N 3.3Å; L193-T197 PolarHBondContact O-OG1 2.93Å; T197-L199 VanDerWaalsContact C-N 3.29Å; T197-L199 HydrophobicContact CG2-CD1 4.41Å; T197-L199 PolarHBondContact OG1-N 2.66Å
198D92.1Very high94.4Very high128 Ų12854.3 Ų54.368%0.68430%0.299SS*.SBendtrans-87.52.3174.1-66.8-36.8000113.4M200 H201D198-M200 VanDerWaalsContact C-N 3.3Å; D198-M200 PolarHBondContact O-N 3.37Å; D198-H201 VanDerWaalsContact CA-ND1 3.35Å; D198-H201 WeakPolarHBondContact CA-ND1 3.35Å; D198-H201 WeakPolarHBondContact O-CB 3.21Å; D198-H201 PolarHBondContact O-N 2.92Å; D198-H201 PolarHBondContact O-ND1 3.08Å; D198-H201 VanDerWaalsContact O-ND1 3.12Å; D198-H201 IonicContact OD1-CE1 3.47Å; D198-H201 PolarHBondContact OD1-CE1 3.01Å; D198-H201 IonicContact OD1-ND1 3.26Å
199L93.3Very high94.5Very high52 Ų5249.7 Ų49.727%0.27227%0.271SS..G310 helixtrans-58.9-40.2-170.4-65173.4000112.6L193 T197 H201 S239 P241L193-L199 HydrophobicContact CD1-CB 4.17Å; L193-L199 HydrophobicContact CD1-CD1 3.83Å; T197-L199 VanDerWaalsContact C-N 3.29Å; T197-L199 HydrophobicContact CG2-CD1 4.41Å; T197-L199 PolarHBondContact OG1-N 2.66Å; L199-H201 VanDerWaalsContact C-N 3.27Å; L199-H201 PolarHBondContact O-N 2.9Å; L199-S239 VanDerWaalsContact CD1-O 3.28Å; L199-S239 WeakPolarHBondContact CD1-O 3.36Å; L199-P241 HydrophobicContact CB-CG 4.01Å
200M95.7Very high94.6Very high0 Ų047.8 Ų47.80%026%0.257CS..G310 helixtrans-72.1-15.3-178.7-65.9-53.6-62.100114.2L193 Y194 D198 N202 V203 L204 L218 P241 A244L193-M200 HydrophobicContact CD2-CG 4.48Å; L193-M200 HydrophobicContact CD2-SD 3.94Å; L193-M200 HydrophobicContact CG-CG 3.9Å; L193-M200 HydrophobicContact CG-SD 3.96Å; Y194-M200 HydrophobicContact CD1-CB 4.32Å; Y194-M200 HydrophobicContact CD1-CE 4.3Å; Y194-M200 HydrophobicContact CD1-CG 3.88Å; Y194-M200 HydrophobicContact CD2-CG 4.38Å; Y194-M200 HydrophobicContact CE1-CE 3.47Å; Y194-M200 VanDerWaalsContact CE1-CE 3.47Å; Y194-M200 HydrophobicContact CE1-CG 4Å; Y194-M200 HydrophobicContact CE1-SD 4.31Å; Y194-M200 HydrophobicContact CE2-CE 4.41Å; Y194-M200 HydrophobicContact CE2-CG 4.46Å; Y194-M200 HydrophobicContact CG-CG 4.1Å; Y194-M200 WeakPolarHBondContact OH-CE 3.19Å; D198-M200 VanDerWaalsContact C-N 3.3Å; D198-M200 PolarHBondContact O-N 3.37Å; M200-N202 PolarHBondContact O-N 3.27Å; M200-V203 HydrophobicContact CE-CB 3.97Å; M200-V203 HydrophobicContact CE-CG1 3.95Å; M200-V203 PolarHBondContact O-N 3.33Å; M200-V203 VanDerWaalsContact O-N 3.15Å; M200-V203 HydrophobicContact SD-CB 4.45Å; M200-V203 HydrophobicContact SD-CG2 4.43Å; M200-L204 HydrophobicContact CB-CD1 4.08Å; M200-L204 HydrophobicContact CB-CG 4.32Å; M200-L204 HydrophobicContact CE-CD1 4.43Å; M200-L204 HydrophobicContact CE-CD2 4.05Å; M200-L204 HydrophobicContact CE-CG 3.98Å; M200-L204 WeakPolarHBondContact O-CB 3.17Å; M200-L204 WeakPolarHBondContact O-CG 3.27Å; M200-L204 PolarHBondContact O-N 2.84Å; M200-L218 HydrophobicContact CB-CD1 4.3Å; M200-P241 HydrophobicContact SD-CB 4.21Å; M200-P241 HydrophobicContact SD-CG 3.71Å; M200-A244 HydrophobicContact CE-CB 3.58Å
201H92.1Very high94.6Very high85 Ų8547.6 Ų47.639%0.39426%0.257SS..G310 helixtrans-63.9-28.8178.9-68.584.7000112.7D198 L199D198-H201 VanDerWaalsContact CA-ND1 3.35Å; D198-H201 WeakPolarHBondContact CA-ND1 3.35Å; D198-H201 WeakPolarHBondContact O-CB 3.21Å; D198-H201 PolarHBondContact O-N 2.92Å; D198-H201 PolarHBondContact O-ND1 3.08Å; D198-H201 VanDerWaalsContact O-ND1 3.12Å; D198-H201 IonicContact OD1-CE1 3.47Å; D198-H201 PolarHBondContact OD1-CE1 3.01Å; D198-H201 IonicContact OD1-ND1 3.26Å; L199-H201 VanDerWaalsContact C-N 3.27Å; L199-H201 PolarHBondContact O-N 2.9Å
202N87.6Confident94.5Very high157 Ų15745.3 Ų45.384%0.8425%0.246SC*.G310 helixtrans-87.5-15.6178.4-65.7-41.1000113.2M200M200-N202 PolarHBondContact O-N 3.27Å
203V96.4Very high94.5Very high9 Ų942.2 Ų42.26%0.05523%0.23CC..THydrogen-bonded Turntrans-93.7-44179.8-177.70000110.4M200 P241 A244 F267 G268M200-V203 HydrophobicContact CE-CB 3.97Å; M200-V203 HydrophobicContact CE-CG1 3.95Å; M200-V203 PolarHBondContact O-N 3.33Å; M200-V203 VanDerWaalsContact O-N 3.15Å; M200-V203 HydrophobicContact SD-CB 4.45Å; M200-V203 HydrophobicContact SD-CG2 4.43Å; V203-P241 HydrophobicContact CG2-CB 4.3Å; V203-P241 HydrophobicContact CG2-CG 4.35Å; V203-P241 WeakPolarHBondContact CG2-O 3.34Å; V203-A244 HydrophobicContact CG1-CB 4.02Å; V203-F267 HydrophobicContact CG1-CB 3.8Å; V203-G268 PolarHBondContact O-N 2.93Å
204L97Very high94.6Very high5 Ų542.3 Ų42.33%0.02623%0.23CC..SBendtrans-82.8134.3-176.8-62.2178.2000111.4Y194 M200 N206 A207 I209 L218 F267Y194-L204 HydrophobicContact CD1-CD1 4.3Å; Y194-L204 HydrophobicContact CE1-CD1 4.2Å; M200-L204 HydrophobicContact CB-CD1 4.08Å; M200-L204 HydrophobicContact CB-CG 4.32Å; M200-L204 HydrophobicContact CE-CD1 4.43Å; M200-L204 HydrophobicContact CE-CD2 4.05Å; M200-L204 HydrophobicContact CE-CG 3.98Å; M200-L204 WeakPolarHBondContact O-CB 3.17Å; M200-L204 WeakPolarHBondContact O-CG 3.27Å; M200-L204 PolarHBondContact O-N 2.84Å; L204-N206 PolarHBondContact O-N 3.32Å; L204-A207 PolarHBondContact O-N 2.89Å; L204-I209 HydrophobicContact CD1-CG1 3.64Å; L204-I209 HydrophobicContact CD2-CG1 4.38Å; L204-L218 HydrophobicContact CD1-CD1 4.06Å; L204-L218 HydrophobicContact CD1-CD2 3.65Å; L204-L218 HydrophobicContact CD1-CG 4.15Å; L204-F267 HydrophobicContact CD2-CB 4Å; L204-F267 HydrophobicContact CD2-CD1 3.61Å; L204-F267 HydrophobicContact CD2-CD2 3.78Å; L204-F267 HydrophobicContact CD2-CE1 3.95Å; L204-F267 HydrophobicContact CD2-CE2 4.16Å; L204-F267 HydrophobicContact CD2-CG 3.49Å; L204-F267 VanDerWaalsContact CD2-CG 3.49Å; L204-F267 HydrophobicContact CD2-CZ 4.2Å
205P93.9Very high94.6Very high33 Ų3342.2 Ų42.221%0.21423%0.229CC..G310 helixtrans-66.6122.517728.6-34.3000110.2T145 A207 T208 I210 F267T145-P205 HydrophobicContact CG2-CB 4.22Å; T145-P205 HydrophobicContact CG2-CG 4.27Å; T145-P205 VanDerWaalsContact OG1-CB 3.27Å; T145-P205 WeakPolarHBondContact OG1-CB 3.42Å; P205-A207 PolarHBondContact O-N 3.25Å; P205-T208 WeakPolarHBondContact O-CB 3.32Å; P205-T208 PolarHBondContact O-N 2.8Å; P205-T208 VanDerWaalsContact O-N 3.09Å; P205-I210 HydrophobicContact CG-CD1 4.49Å; P205-F267 HydrophobicContact CG-CD1 4.26Å; P205-F267 HydrophobicContact CG-CE1 4.47Å
206N93.8Very high94.8Very high109 Ų10940 Ų4058%0.58322%0.218SC*.G310 helixtrans51.537.9-176.7-165.360.9000113I144 L204 T208I144-N206 HydrophobicContact CG2-CB 4.42Å; I144-N206 VanDerWaalsContact CG2-ND2 3.34Å; I144-N206 WeakPolarHBondContact CG2-ND2 3.3Å; L204-N206 PolarHBondContact O-N 3.32Å; N206-T208 PolarHBondContact O-N 2.67Å; N206-T208 PolarHBondContact O-OG1 2.76Å
207A94Very high95Very high28 Ų2838.3 Ų38.323%0.23120%0.201CC..G310 helixtrans49.133.7-177.600000113.9L204 P205L204-A207 PolarHBondContact O-N 2.89Å; P205-A207 PolarHBondContact O-N 3.25Å
208T95.8Very high95.3Very high6 Ų637.8 Ų37.84%0.03720%0.197CC..EExtended strand (participates in β ladder)trans-117.7125.8-176-580000109.4P205 N206 I210 P215 F216P205-T208 WeakPolarHBondContact O-CB 3.32Å; P205-T208 PolarHBondContact O-N 2.8Å; P205-T208 VanDerWaalsContact O-N 3.09Å; N206-T208 PolarHBondContact O-N 2.67Å; N206-T208 PolarHBondContact O-OG1 2.76Å; T208-I210 HydrophobicContact CG2-CG1 4.1Å; T208-P215 HydrophobicContact CG2-CB 3.86Å; T208-F216 WeakPolarHBondContact CA-O 3.21Å
209I97.8Very high95.5Very high0 Ų033.9 Ų33.90%018%0.176CC..EExtended strand (participates in β ladder)trans-80.1121.6166.8-60.3173.8000106.9Y194 L204 Q211 P215 F216 L218 I223 L226 W233 L246Y194-I209 HydrophobicContact CD1-CD1 3.69Å; Y194-I209 HydrophobicContact CD1-CG1 4.3Å; Y194-I209 HydrophobicContact CE1-CD1 3.93Å; Y194-I209 HydrophobicContact CE1-CG1 4.27Å; L204-I209 HydrophobicContact CD1-CG1 3.64Å; L204-I209 HydrophobicContact CD2-CG1 4.38Å; I209-Q211 HydrophobicContact CG2-CB 4.14Å; I209-P215 CarbonylContact O-C 3.49Å; I209-P215 WeakPolarHBondContact O-CA 3.32Å; I209-F216 PolarHBondContact N-O 3.09Å; I209-F216 PolarHBondContact O-N 3.32Å; I209-L218 HydrophobicContact CD1-CD2 3.64Å; I209-L218 HydrophobicContact CG1-CD2 3.72Å; I209-I223 HydrophobicContact CD1-CD1 3.72Å; I209-L226 HydrophobicContact CB-CD1 4.47Å; I209-L226 HydrophobicContact CD1-CD1 3.94Å; I209-L226 HydrophobicContact CG2-CD1 4Å; I209-W233 HydrophobicContact CD1-CH2 4.06Å; I209-W233 HydrophobicContact CD1-CZ3 4.23Å; I209-L246 HydrophobicContact CG2-CD2 3.84Å
210I97.9Very high95.7Very high0 Ų035.2 Ų35.20%019%0.188CC..EExtended strand (participates in β ladder)trans-107.8112.5169.8-55.1164.1000106.3T145 Q147 P205 T208 Q214 P215 D265 F267 V328T145-I210 HydrophobicContact CG2-CD1 3.48Å; T145-I210 VanDerWaalsContact CG2-CD1 3.48Å; Q147-I210 HydrophobicContact CG-CD1 4.4Å; P205-I210 HydrophobicContact CG-CD1 4.49Å; T208-I210 HydrophobicContact CG2-CG1 4.1Å; I210-Q214 WeakPolarHBondContact CA-O 3.43Å; I210-P215 HydrophobicContact CG1-CB 4.28Å; I210-D265 WeakPolarHBondContact O-CB 3.21Å; I210-F267 WeakPolarHBondContact O-CZ 3.4Å; I210-V328 HydrophobicContact CD1-CG2 3.5Å; I210-V328 VanDerWaalsContact CD1-CG2 3.5Å; I210-V328 HydrophobicContact CG1-CG2 3.96Å
211Q96.8Very high95.8Very high2 Ų237.1 Ų37.11%0.00920%0.201CC..EExtended strand (participates in β ladder)trans-127.5120.4-176.1-171.4-79-46.100109.4I209 W213 Q214 L226 I231 L246 T248 D265I209-Q211 HydrophobicContact CG2-CB 4.14Å; Q211-W213 VanDerWaalsContact C-N 3.28Å; Q211-W213 PolarHBondContact O-N 2.98Å; Q211-Q214 PolarHBondContact N-O 3.07Å; Q211-Q214 WeakPolarHBondContact O-CB 3.5Å; Q211-Q214 PolarHBondContact O-N 2.78Å; Q211-L226 HydrophobicContact CB-CD2 3.9Å; Q211-L226 HydrophobicContact CG-CD2 4.08Å; Q211-I231 VanDerWaalsContact CD-CD1 3.43Å; Q211-I231 HydrophobicContact CG-CD1 3.74Å; Q211-I231 HydrophobicContact CG-CG1 4.41Å; Q211-L246 HydrophobicContact CB-CD2 4.14Å; Q211-L246 HydrophobicContact CG-CB 4.38Å; Q211-L246 HydrophobicContact CG-CD2 3.82Å; Q211-T248 VanDerWaalsContact NE2-CG2 3.27Å; Q211-D265 WeakPolarHBondContact CA-OD2 3.23Å
212D94.3Very high96Very high16 Ų1633 Ų339%0.08618%0.182CC..THydrogen-bonded Turntrans48.552-179.2-168.519.6000111.5R51 Q214 T248 N263 D265R51-D212 IonicContact CZ-OD2 3.61Å; R51-D212 IonicContact NE-OD2 3.11Å; R51-D212 IonicContact NH2-OD2 3.19Å; R51-D212 PolarHBondContact NH2-OD2 3.33Å; D212-Q214 PolarHBondContact O-N 3.4Å; D212-T248 HydrophobicContact CB-CG2 3.88Å; D212-N263 PolarHBondContact OD1-ND2 3.38Å; D212-D265 PolarHBondContact N-OD2 2.96Å
213W95.9Very high96.5Very high54 Ų5425.6 Ų25.621%0.20514%0.142CC..THydrogen-bonded Turntrans68.41.2-176-57.282.7000116.9T128 D130 I149 Q211 P215 F298 Q326T128-W213 VanDerWaalsContact CB-O 3.3Å; T128-W213 WeakPolarHBondContact CB-O 3.28Å; T128-W213 HydrophobicContact CG2-CE3 3.61Å; T128-W213 HydrophobicContact CG2-CZ3 4.2Å; T128-W213 PolarHBondContact OG1-O 2.73Å; D130-W213 HydrophobicContact CB-CH2 3.65Å; D130-W213 HydrophobicContact CB-CZ3 3.86Å; I149-W213 HydrophobicContact CD1-CH2 3.77Å; I149-W213 HydrophobicContact CD1-CZ2 4.41Å; I149-W213 HydrophobicContact CD1-CZ3 4.45Å; Q211-W213 VanDerWaalsContact C-N 3.28Å; Q211-W213 PolarHBondContact O-N 2.98Å; W213-P215 WeakPolarHBondContact O-CD 3.47Å; W213-F298 HydrophobicContact CD2-CE1 4.37Å; W213-F298 HydrophobicContact CD2-CZ 4.18Å; W213-F298 AromaticContact CE2-CE1 3.94Å; W213-F298 AromaticContact CE2-CZ 3.56Å; W213-F298 HydrophobicContact CG-CZ 4.49Å; W213-F298 HydrophobicContact CH2-CE1 4.31Å; W213-F298 AromaticContact CZ2-CE1 3.94Å; W213-F298 HydrophobicContact CZ2-CE1 3.94Å; W213-F298 AromaticContact CZ2-CZ 3.86Å; W213-F298 HydrophobicContact CZ2-CZ 3.86Å; W213-F298 AromaticContact NE1-CZ 3.49Å; W213-Q326 HydrophobicContact CE3-CG 3.91Å; W213-Q326 VanDerWaalsContact CE3-NE2 3.28Å; W213-Q326 HydrophobicContact CZ3-CB 4.48Å; W213-Q326 HydrophobicContact CZ3-CG 3.85Å
214Q97.3Very high96.5Very high10 Ų1027.2 Ų27.25%0.04716%0.157CC..EExtended strand (participates in β ladder)trans-104.1116-176.5-60.5176.5-69.400111.4L88 E90 I210 Q211 D212 F216L88-Q214 HydrophobicContact CD2-CB 3.85Å; L88-Q214 HydrophobicContact CD2-CG 4Å; E90-Q214 PolarHBondContact OE1-NE2 3.45Å; E90-Q214 PolarHBondContact OE2-NE2 3.42Å; I210-Q214 WeakPolarHBondContact CA-O 3.43Å; Q211-Q214 PolarHBondContact N-O 3.07Å; Q211-Q214 WeakPolarHBondContact O-CB 3.5Å; Q211-Q214 PolarHBondContact O-N 2.78Å; D212-Q214 PolarHBondContact O-N 3.4Å; Q214-F216 HydrophobicContact CB-CD2 4.34Å; Q214-F216 HydrophobicContact CB-CE2 3.37Å; Q214-F216 HydrophobicContact CB-CZ 3.58Å; Q214-F216 WeakPolarHBondContact O-CD2 3.04Å; Q214-F216 VanDerWaalsContact O-CE2 3.25Å; Q214-F216 WeakPolarHBondContact O-CE2 3.33Å
215P97.6Very high96.5Very high0 Ų028.2 Ų28.20%016%0.162CC..EExtended strand (participates in β ladder)trans-89.3122.1-179.931.8-36000113.6I81 L88 R126 T208 I209 I210 W213 V328I81-P215 VanDerWaalsContact CD1-O 3.23Å; I81-P215 WeakPolarHBondContact CD1-O 3.36Å; L88-P215 HydrophobicContact CD1-CG 4.09Å; R126-P215 HydrophobicContact CG-CG 3.77Å; R126-P215 PolarHBondContact NH1-O 3.06Å; T208-P215 HydrophobicContact CG2-CB 3.86Å; I209-P215 CarbonylContact O-C 3.49Å; I209-P215 WeakPolarHBondContact O-CA 3.32Å; I210-P215 HydrophobicContact CG1-CB 4.28Å; W213-P215 WeakPolarHBondContact O-CD 3.47Å; P215-V328 HydrophobicContact CB-CG1 3.7Å; P215-V328 HydrophobicContact CB-CG2 4.07Å; P215-V328 HydrophobicContact CG-CG1 3.78Å; P215-V328 HydrophobicContact CG-CG2 4.46Å
216F97.8Very high96.6Very high1 Ų126.7 Ų26.70%0.00415%0.152CC..EExtended strand (participates in β ladder)trans-123.7134.4-177.7-58.8-80.4000112.2I81 T208 I209 Q214 N222 I225 L226I81-F216 HydrophobicContact CD1-CD1 4.05Å; I81-F216 HydrophobicContact CD1-CE1 4.35Å; I81-F216 HydrophobicContact CG2-CD1 4.4Å; I81-F216 HydrophobicContact CG2-CE1 4.01Å; T208-F216 WeakPolarHBondContact CA-O 3.21Å; I209-F216 PolarHBondContact N-O 3.09Å; I209-F216 PolarHBondContact O-N 3.32Å; Q214-F216 HydrophobicContact CB-CD2 4.34Å; Q214-F216 HydrophobicContact CB-CE2 3.37Å; Q214-F216 HydrophobicContact CB-CZ 3.58Å; Q214-F216 WeakPolarHBondContact O-CD2 3.04Å; Q214-F216 VanDerWaalsContact O-CE2 3.25Å; Q214-F216 WeakPolarHBondContact O-CE2 3.33Å; F216-N222 HydrophobicContact CB-CB 3.99Å; F216-N222 HydrophobicContact CD1-CB 4.07Å; F216-N222 HydrophobicContact CG-CB 4.38Å; F216-I225 HydrophobicContact CE1-CG2 4.22Å; F216-I225 HydrophobicContact CZ-CG2 4.36Å; F216-L226 HydrophobicContact CD2-CD1 4.13Å; F216-L226 HydrophobicContact CD2-CD2 3.8Å; F216-L226 HydrophobicContact CD2-CG 4.15Å; F216-L226 HydrophobicContact CE2-CD2 3.56Å; F216-L226 HydrophobicContact CE2-CG 4.24Å; F216-L226 HydrophobicContact CG-CD1 4.46Å; F216-L226 HydrophobicContact CZ-CD2 4.27Å
217K97.1Very high96.7Very high70 Ų7023.7 Ų23.730%0.30414%0.136SC..EExtended strand (participates in β ladder)trans-67.6156.8164.7-65.2178.2-172.11670110.8D82 E85 L219 N222D82-K217 HydrophobicContact CB-CD 4.02Å; D82-K217 WeakPolarHBondContact OD1-CB 3.43Å; D82-K217 WeakPolarHBondContact OD1-CG 3.38Å; D82-K217 PolarHBondContact OD1-N 3.28Å; D82-K217 VanDerWaalsContact OD2-CE 3.3Å; D82-K217 WeakPolarHBondContact OD2-CE 3.34Å; D82-K217 IonicContact OD2-NZ 3.77Å; E85-K217 IonicContact OE2-NZ 3.95Å; K217-L219 HydrophobicContact CB-CD1 3.91Å; K217-L219 HydrophobicContact CB-CG 4.02Å; K217-L219 HydrophobicContact CD-CD1 4.15Å; K217-L219 PolarHBondContact O-N 3.04Å; K217-N222 PolarHBondContact N-ND2 3.29Å; K217-N222 WeakPolarHBondContact O-CB 3.46Å; K217-N222 PolarHBondContact O-ND2 3.24Å
218L96.6Very high96.7Very high29 Ų2930.6 Ų30.615%0.15216%0.16CC..SBendtrans-71.675.8171.9-63.2-175000111.8Y194 M200 L204 I209Y194-L218 HydrophobicContact CD1-CD2 3.9Å; M200-L218 HydrophobicContact CB-CD1 4.3Å; L204-L218 HydrophobicContact CD1-CD1 4.06Å; L204-L218 HydrophobicContact CD1-CD2 3.65Å; L204-L218 HydrophobicContact CD1-CG 4.15Å; I209-L218 HydrophobicContact CD1-CD2 3.64Å; I209-L218 HydrophobicContact CG1-CD2 3.72Å
219L97.1Very high96.6Very high45 Ų4532.7 Ų32.724%0.23617%0.169CC..  trans-126.8146.3-179.7-66.5170.4000110.6D82 L195 K217 S221 N222 I223D82-L219 HydrophobicContact CB-CD1 4.03Å; L195-L219 VanDerWaalsContact CD2-C 3.49Å; K217-L219 HydrophobicContact CB-CD1 3.91Å; K217-L219 HydrophobicContact CB-CG 4.02Å; K217-L219 HydrophobicContact CD-CD1 4.15Å; K217-L219 PolarHBondContact O-N 3.04Å; L219-S221 PolarHBondContact O-N 3.43Å; L219-N222 HydrophobicContact CB-CB 4.47Å; L219-N222 PolarHBondContact O-N 3.4Å; L219-N222 VanDerWaalsContact O-N 3.09Å; L219-I223 PolarHBondContact O-N 2.65Å
220P97.4Very high96.4Very high80 Ų8039.7 Ų39.752%0.51920%0.202SC..Hα-helixtrans-54.9-38.9178.7-26.834.7000113.6L195 I223 A224L195-P220 HydrophobicContact CD1-CB 4.27Å; L195-P220 HydrophobicContact CD1-CG 4.26Å; L195-P220 HydrophobicContact CD2-CG 4.37Å; P220-I223 PolarHBondContact O-N 2.8Å; P220-A224 WeakPolarHBondContact O-CB 3.36Å; P220-A224 PolarHBondContact O-N 3.11Å
221S97.3Very high96.3Very high40 Ų4040.6 Ų40.628%0.2821%0.206SC..Hα-helixtrans-62.8-41.3177.554.60000112.6D83 L219 A224 I225D83-S221 PolarHBondContact N-OG 2.91Å; D83-S221 WeakPolarHBondContact OD1-CB 3.43Å; D83-S221 PolarHBondContact OD1-OG 2.79Å; L219-S221 PolarHBondContact O-N 3.43Å; S221-A224 WeakPolarHBondContact O-CB 3.38Å; S221-A224 PolarHBondContact O-N 2.95Å; S221-I225 WeakPolarHBondContact O-CG1 3.27Å; S221-I225 PolarHBondContact O-N 2.83Å
222N97.9Very high96.4Very high0 Ų040.6 Ų40.60%021%0.206CC..Hα-helixtrans-72.1-41.6178-73.3-16.5000112.5D82 F216 K217 L219 A224 I225 L226D82-N222 PolarHBondContact N-OD1 3.07Å; D82-N222 PolarHBondContact OD1-ND2 2.79Å; F216-N222 HydrophobicContact CB-CB 3.99Å; F216-N222 HydrophobicContact CD1-CB 4.07Å; F216-N222 HydrophobicContact CG-CB 4.38Å; K217-N222 PolarHBondContact N-ND2 3.29Å; K217-N222 WeakPolarHBondContact O-CB 3.46Å; K217-N222 PolarHBondContact O-ND2 3.24Å; L219-N222 HydrophobicContact CB-CB 4.47Å; L219-N222 PolarHBondContact O-N 3.4Å; L219-N222 VanDerWaalsContact O-N 3.09Å; N222-A224 PolarHBondContact O-N 3.12Å; N222-I225 WeakPolarHBondContact O-CB 3.33Å; N222-I225 PolarHBondContact O-N 3.08Å; N222-L226 PolarHBondContact O-N 2.75Å
223I97.7Very high96.6Very high0 Ų040.2 Ų40.20%020%0.204CC..Hα-helixtrans-60.9-38.1173.8-64.9-58.6000110I190 L195 I209 L219 P220 I225 L226 L227 W233I190-I223 HydrophobicContact CG2-CG2 4.08Å; L195-I223 HydrophobicContact CD1-CB 4.15Å; L195-I223 HydrophobicContact CD1-CG1 4.02Å; L195-I223 HydrophobicContact CD1-CG2 4.32Å; L195-I223 HydrophobicContact CD2-CG1 3.67Å; L195-I223 HydrophobicContact CG-CG1 3.91Å; I209-I223 HydrophobicContact CD1-CD1 3.72Å; L219-I223 PolarHBondContact O-N 2.65Å; P220-I223 PolarHBondContact O-N 2.8Å; I223-I225 VanDerWaalsContact C-N 3.29Å; I223-I225 PolarHBondContact O-N 2.82Å; I223-L226 HydrophobicContact CD1-CD1 4.29Å; I223-L226 PolarHBondContact O-N 3.04Å; I223-L227 HydrophobicContact CG2-CD1 3.72Å; I223-L227 HydrophobicContact CG2-CG 4.05Å; I223-L227 WeakPolarHBondContact O-CB 3.31Å; I223-L227 VanDerWaalsContact O-CG 3.27Å; I223-L227 WeakPolarHBondContact O-CG 3.21Å; I223-L227 PolarHBondContact O-N 2.98Å; I223-W233 HydrophobicContact CD1-CH2 4.41Å
224A96.6Very high96.7Very high44 Ų4437.7 Ų37.736%0.36420%0.195SC..Hα-helixtrans-63.9-3017400000113.6P220 S221 N222 K228P220-A224 WeakPolarHBondContact O-CB 3.36Å; P220-A224 PolarHBondContact O-N 3.11Å; S221-A224 WeakPolarHBondContact O-CB 3.38Å; S221-A224 PolarHBondContact O-N 2.95Å; N222-A224 PolarHBondContact O-N 3.12Å; A224-K228 WeakPolarHBondContact O-CG 3.23Å
225I95.8Very high96.7Very high26 Ų2637.2 Ų37.213%0.13319%0.192CC..Hα-helixtrans-68.6-48.4171-66.4165.8000109.8N60 I81 F216 S221 N222 I223 L227 K228N60-I225 WeakPolarHBondContact ND2-CD1 3.21Å; I81-I225 HydrophobicContact CG2-CD1 4.07Å; F216-I225 HydrophobicContact CE1-CG2 4.22Å; F216-I225 HydrophobicContact CZ-CG2 4.36Å; S221-I225 WeakPolarHBondContact O-CG1 3.27Å; S221-I225 PolarHBondContact O-N 2.83Å; N222-I225 WeakPolarHBondContact O-CB 3.33Å; N222-I225 PolarHBondContact O-N 3.08Å; I223-I225 VanDerWaalsContact C-N 3.29Å; I223-I225 PolarHBondContact O-N 2.82Å; I225-L227 PolarHBondContact O-N 2.91Å; I225-K228 PolarHBondContact O-N 3.44Å
226L96.9Very high96.7Very high0 Ų038.1 Ų38.10%020%0.197CC..Hα-helixtrans-64.2-38.7-178.2-68.4171000112.5I209 Q211 F216 N222 I223 K228 K229 I231 W233I209-L226 HydrophobicContact CB-CD1 4.47Å; I209-L226 HydrophobicContact CD1-CD1 3.94Å; I209-L226 HydrophobicContact CG2-CD1 4Å; Q211-L226 HydrophobicContact CB-CD2 3.9Å; Q211-L226 HydrophobicContact CG-CD2 4.08Å; F216-L226 HydrophobicContact CD2-CD1 4.13Å; F216-L226 HydrophobicContact CD2-CD2 3.8Å; F216-L226 HydrophobicContact CD2-CG 4.15Å; F216-L226 HydrophobicContact CE2-CD2 3.56Å; F216-L226 HydrophobicContact CE2-CG 4.24Å; F216-L226 HydrophobicContact CG-CD1 4.46Å; F216-L226 HydrophobicContact CZ-CD2 4.27Å; N222-L226 PolarHBondContact O-N 2.75Å; I223-L226 HydrophobicContact CD1-CD1 4.29Å; I223-L226 PolarHBondContact O-N 3.04Å; L226-K228 PolarHBondContact O-N 2.78Å; L226-K229 HydrophobicContact CD2-CD 4.36Å; L226-K229 WeakPolarHBondContact O-CB 3.38Å; L226-K229 PolarHBondContact O-N 3.46Å; L226-I231 HydrophobicContact CB-CD1 4.38Å; L226-I231 HydrophobicContact CD2-CD1 3.99Å; L226-W233 HydrophobicContact CB-CH2 4.41Å; L226-W233 HydrophobicContact CB-CZ2 3.92Å; L226-W233 HydrophobicContact CD1-CH2 3.87Å; L226-W233 HydrophobicContact CD1-CZ2 4.16Å
227L96.2Very high96.5Very high47 Ų4741.4 Ų41.425%0.24622%0.215CC..THydrogen-bonded Turntrans-67.9-15.1178.3-71.5172.2000114.1Q187 I190 H191 I223 I225 K229Q187-L227 HydrophobicContact CG-CD1 3.86Å; Q187-L227 HydrophobicContact CG-CD2 4.15Å; I190-L227 HydrophobicContact CD1-CD2 3.81Å; I190-L227 HydrophobicContact CG2-CD2 4.38Å; H191-L227 WeakPolarHBondContact NE2-CD1 3.38Å; I223-L227 HydrophobicContact CG2-CD1 3.72Å; I223-L227 HydrophobicContact CG2-CG 4.05Å; I223-L227 WeakPolarHBondContact O-CB 3.31Å; I223-L227 VanDerWaalsContact O-CG 3.27Å; I223-L227 WeakPolarHBondContact O-CG 3.21Å; I223-L227 PolarHBondContact O-N 2.98Å; I225-L227 PolarHBondContact O-N 2.91Å; L227-K229 VanDerWaalsContact C-N 3.29Å
228K93.9Very high96.4Very high172 Ų17241.3 Ų41.375%0.74822%0.22SC*.THydrogen-bonded Turntrans-80.9-12.9172-69.9170.8-175.8179.20112.8A224 I225 L226A224-K228 WeakPolarHBondContact O-CG 3.23Å; I225-K228 PolarHBondContact O-N 3.44Å; L226-K228 PolarHBondContact O-N 2.78Å
229K92.9Very high96.2Very high50 Ų5044.1 Ų44.122%0.21724%0.242CC..SBendtrans-94.1153.4179.9-60.6170.8173.9177.10110.1L226 L227 I231L226-K229 HydrophobicContact CD2-CD 4.36Å; L226-K229 WeakPolarHBondContact O-CB 3.38Å; L226-K229 PolarHBondContact O-N 3.46Å; L227-K229 VanDerWaalsContact C-N 3.29Å; K229-I231 HydrophobicContact CB-CD1 3.68Å; K229-I231 HydrophobicContact CB-CG1 3.82Å; K229-I231 HydrophobicContact CD-CD1 3.8Å; K229-I231 HydrophobicContact CG-CD1 4.41Å; K229-I231 PolarHBondContact O-N 2.76Å
230E93.2Very high96.1Very high147 Ų14746.8 Ų46.869%0.68726%0.256SS*.  trans-77.588.4170-62.4-172.5150.600109.6F249E230-F249 HydrophobicContact CB-CB 4.07Å; E230-F249 HydrophobicContact CB-CD2 3.86Å; E230-F249 HydrophobicContact CB-CE2 4.49Å; E230-F249 HydrophobicContact CB-CG 3.95Å; E230-F249 WeakPolarHBondContact O-CD2 3.32Å; E230-F249 PolarHBondContact O-N 3.48Å
231I96.9Very high96Very high19 Ų1943.3 Ų43.310%0.09723%0.234CC..EExtended strand (participates in β ladder)trans-126.2134178.6-57.8162.2000109.1Q211 L226 K229 W233 L246 C247Q211-I231 VanDerWaalsContact CD-CD1 3.43Å; Q211-I231 HydrophobicContact CG-CD1 3.74Å; Q211-I231 HydrophobicContact CG-CG1 4.41Å; L226-I231 HydrophobicContact CB-CD1 4.38Å; L226-I231 HydrophobicContact CD2-CD1 3.99Å; K229-I231 HydrophobicContact CB-CD1 3.68Å; K229-I231 HydrophobicContact CB-CG1 3.82Å; K229-I231 HydrophobicContact CD-CD1 3.8Å; K229-I231 HydrophobicContact CG-CD1 4.41Å; K229-I231 PolarHBondContact O-N 2.76Å; I231-W233 HydrophobicContact CG2-CG 4.45Å; I231-L246 HydrophobicContact CG2-CB 3.88Å; I231-L246 HydrophobicContact CG2-CD2 4.19Å; I231-L246 HydrophobicContact CG2-CG 4.09Å; I231-C247 CarbonylContact C-O 3.58Å; I231-C247 WeakPolarHBondContact CA-O 3.44Å
232D97.5Very high96Very high2 Ų244.4 Ų44.41%0.01124%0.239CC..EExtended strand (participates in β ladder)trans-94.7128.6171.3-152.668.2000109.6H184 L246 C247 F249 H281 R284 H285H184-D232 IonicContact CD2-OD1 2.73Å; H184-D232 PolarHBondContact CD2-OD1 2.77Å; H184-D232 VanDerWaalsContact CD2-OD1 3.32Å; H184-D232 IonicContact CD2-OD2 3.36Å; H184-D232 IonicContact NE2-OD1 3.46Å; H184-D232 PolarHBondContact NE2-OD1 3.24Å; D232-L246 CarbonylContact O-C 3.55Å; D232-L246 WeakPolarHBondContact O-CA 3.4Å; D232-C247 HydrophobicContact CB-CB 4.34Å; D232-C247 PolarHBondContact N-O 2.62Å; D232-C247 PolarHBondContact O-N 3.03Å; D232-F249 HydrophobicContact CB-CE2 4.24Å; D232-H281 IonicContact OD2-CE1 3.14Å; D232-H281 IonicContact OD2-ND1 2.76Å; D232-R284 VanDerWaalsContact CG-NE 3.29Å; D232-R284 IonicContact OD1-CZ 2.8Å; D232-R284 IonicContact OD1-NE 3.67Å; D232-R284 PolarHBondContact OD1-NE 2.76Å; D232-R284 IonicContact OD1-NH2 2.79Å; D232-R284 PolarHBondContact OD1-NH2 2.93Å; D232-R284 VanDerWaalsContact OD1-NH2 3.08Å; D232-R284 VanDerWaalsContact OD2-CD 3.24Å; D232-R284 WeakPolarHBondContact OD2-CD 3.04Å; D232-R284 IonicContact OD2-NE 2.66Å; D232-R284 PolarHBondContact OD2-NE 3.1Å; D232-H285 WeakPolarHBondContact CB-NE2 3.27Å; D232-H285 IonicContact OD2-NE2 3.34Å; D232-H285 PolarHBondContact OD2-NE2 3.17Å
233W98.5Very high96Very high8 Ų844.5 Ų44.53%0.0324%0.239CC..EExtended strand (participates in β ladder)trans-116123.5-172.7-66.970.6000110.6H184 L185 I190 Y194 I209 I223 L226 I231 L246H184-W233 WeakPolarHBondContact CA-O 3.08Å; L185-W233 HydrophobicContact CB-CB 4.06Å; L185-W233 HydrophobicContact CD1-CB 4.47Å; L185-W233 HydrophobicContact CG-CB 4.5Å; L185-W233 PolarHBondContact N-O 2.81Å; I190-W233 HydrophobicContact CD1-CB 4.12Å; I190-W233 HydrophobicContact CD1-CD2 3.85Å; I190-W233 HydrophobicContact CD1-CE3 4.49Å; I190-W233 HydrophobicContact CD1-CG 3.66Å; I190-W233 HydrophobicContact CG1-CB 4.34Å; I190-W233 HydrophobicContact CG1-CD2 4.12Å; I190-W233 HydrophobicContact CG1-CE3 4.29Å; I190-W233 HydrophobicContact CG1-CG 4.16Å; I190-W233 HydrophobicContact CG2-CE3 4.43Å; I190-W233 HydrophobicContact CG2-CH2 4.36Å; I190-W233 HydrophobicContact CG2-CZ3 4.27Å; Y194-W233 HydrophobicContact CD1-CZ3 4.19Å; Y194-W233 HydrophobicContact CD2-CE3 4.48Å; Y194-W233 HydrophobicContact CD2-CZ3 4.17Å; Y194-W233 HydrophobicContact CE1-CE3 4.38Å; Y194-W233 AromaticContact CE1-CZ3 3.74Å; Y194-W233 HydrophobicContact CE1-CZ3 3.74Å; Y194-W233 AromaticContact CE2-CE3 3.74Å; Y194-W233 HydrophobicContact CE2-CE3 3.74Å; Y194-W233 AromaticContact CE2-CZ3 3.74Å; Y194-W233 HydrophobicContact CE2-CZ3 3.74Å; Y194-W233 HydrophobicContact CG-CZ3 4.38Å; Y194-W233 AromaticContact CZ-CE3 3.67Å; Y194-W233 AromaticContact CZ-CZ3 3.49Å; Y194-W233 VanDerWaalsContact CZ-CZ3 3.49Å; I209-W233 HydrophobicContact CD1-CH2 4.06Å; I209-W233 HydrophobicContact CD1-CZ3 4.23Å; I223-W233 HydrophobicContact CD1-CH2 4.41Å; L226-W233 HydrophobicContact CB-CH2 4.41Å; L226-W233 HydrophobicContact CB-CZ2 3.92Å; L226-W233 HydrophobicContact CD1-CH2 3.87Å; L226-W233 HydrophobicContact CD1-CZ2 4.16Å; I231-W233 HydrophobicContact CG2-CG 4.45Å; W233-L246 HydrophobicContact CD2-CD1 4.26Å; W233-L246 HydrophobicContact CD2-CD2 4.04Å; W233-L246 HydrophobicContact CD2-CG 3.82Å; W233-L246 HydrophobicContact CE3-CD1 3.69Å; W233-L246 HydrophobicContact CE3-CD2 3.92Å; W233-L246 HydrophobicContact CE3-CG 3.75Å; W233-L246 HydrophobicContact CG-CG 4.44Å; W233-L246 HydrophobicContact CH2-CD2 3.55Å; W233-L246 HydrophobicContact CH2-CG 4.32Å; W233-L246 HydrophobicContact CZ2-CD2 3.65Å; W233-L246 HydrophobicContact CZ2-CG 4.36Å; W233-L246 HydrophobicContact CZ3-CD1 3.87Å; W233-L246 HydrophobicContact CZ3-CD2 3.67Å; W233-L246 HydrophobicContact CZ3-CG 4.01Å
234L98.5Very high96Very high2 Ų244.5 Ų44.51%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-129.3144.7-178.9-62.5-175.5000111.5P182 V183 H184 A244 S245 Q277 C280 H281P182-L234 HydrophobicContact CB-CB 4.42Å; P182-L234 HydrophobicContact CB-CD1 4.25Å; V183-L234 WeakPolarHBondContact O-CA 3.47Å; H184-L234 HydrophobicContact CB-CD2 3.79Å; L234-A244 CarbonylContact O-C 3.56Å; L234-A244 VanDerWaalsContact O-CA 3.32Å; L234-A244 WeakPolarHBondContact O-CA 3.42Å; L234-S245 PolarHBondContact N-O 3.04Å; L234-S245 PolarHBondContact O-N 2.89Å; L234-Q277 PolarHBondContact O-NE2 3.33Å; L234-Q277 PolarHBondContact O-OE1 2.84Å; L234-C280 HydrophobicContact CD1-CB 3.73Å; L234-H281 VanDerWaalsContact CD1-CE1 3.42Å; L234-H281 WeakPolarHBondContact CD1-CE1 3.34Å; L234-H281 WeakPolarHBondContact CD1-NE2 3.48Å
235V98.3Very high96.2Very high0 Ų042.4 Ų42.40%022%0.222CC..EExtended strand (participates in β ladder)trans-133.2156169.7-64.50000110.4P182 V183 L185 L193 V238 P241 V243 A244P182-V235 CarbonylContact C-O 3.58Å; P182-V235 WeakPolarHBondContact CA-O 3.22Å; V183-V235 HydrophobicContact CB-CG2 4.2Å; V183-V235 PolarHBondContact N-O 2.93Å; V183-V235 PolarHBondContact O-N 2.94Å; L185-V235 HydrophobicContact CD1-CG1 3.88Å; L185-V235 HydrophobicContact CD1-CG2 4.43Å; L185-V235 HydrophobicContact CD2-CG2 3.71Å; L185-V235 HydrophobicContact CG-CG1 4.43Å; L185-V235 HydrophobicContact CG-CG2 4.22Å; L193-V235 HydrophobicContact CD2-CG1 3.78Å; L193-V235 HydrophobicContact CD2-CG2 4.42Å; V235-V238 HydrophobicContact CG2-CG1 3.94Å; V235-P241 HydrophobicContact CB-CB 4.37Å; V235-P241 HydrophobicContact CG1-CB 4.48Å; V235-V243 WeakPolarHBondContact CA-O 3.37Å; V235-A244 HydrophobicContact CG1-CB 3.92Å
236D96.6Very high96.3Very high19 Ų1941.1 Ų41.110%0.10222%0.216CC..SBendtrans-71.1-42.4173.661.6-44.1000112.1P241 T242 V243 L273D236-P241 VanDerWaalsContact OD1-CA 3.28Å; D236-P241 WeakPolarHBondContact OD1-CA 3.17Å; D236-T242 PolarHBondContact OD1-N 2.63Å; D236-T242 PolarHBondContact OD2-N 3.19Å; D236-T242 VanDerWaalsContact OD2-N 3.12Å; D236-T242 PolarHBondContact OD2-OG1 3.47Å; D236-V243 PolarHBondContact N-O 3.38Å; D236-V243 PolarHBondContact OD1-N 3.25Å; D236-L273 HydrophobicContact CB-CD1 4.04Å; D236-L273 HydrophobicContact CB-CD2 4.12Å; D236-L273 HydrophobicContact CB-CG 4.47Å; D236-L273 WeakPolarHBondContact OD2-CD1 3.39Å
237D94.7Very high96.4Very high69 Ų6941.1 Ų41.137%0.36922%0.216SC..  trans-144.2130.1178.4-172.6-22.7000110S239 P241D237-S239 VanDerWaalsContact C-N 3.31Å; D237-S239 PolarHBondContact O-N 3.26Å; D237-S239 WeakPolarHBondContact OD1-CB 3.44Å; D237-S239 PolarHBondContact OD1-N 3.4Å; D237-P241 VanDerWaalsContact O-CA 3.23Å; D237-P241 WeakPolarHBondContact O-CA 3.31Å; D237-P241 VanDerWaalsContact O-CB 3.3Å; D237-P241 WeakPolarHBondContact O-CB 3.31Å; D237-P241 WeakPolarHBondContact O-CD 3.42Å; D237-P241 VanDerWaalsContact O-N 3.13Å
238V93.5Very high96.4Very high68 Ų6839 Ų3941%0.41221%0.205SC..SBendtrans-72-23.6178.5-670000113.6V183 L185 V235V183-V238 HydrophobicContact CB-CG1 4.05Å; V183-V238 HydrophobicContact CG1-CG1 3.66Å; V183-V238 HydrophobicContact CG2-CG1 4.41Å; L185-V238 HydrophobicContact CD2-CG1 3.9Å; V235-V238 HydrophobicContact CG2-CG1 3.94Å
239S93.1Very high96.5Very high89 Ų8934.5 Ų34.562%0.62219%0.185SC*.SBendtrans-90.4-31.3-176.1-50.80000112.1L199 D237L199-S239 VanDerWaalsContact CD1-O 3.28Å; L199-S239 WeakPolarHBondContact CD1-O 3.36Å; D237-S239 VanDerWaalsContact C-N 3.31Å; D237-S239 PolarHBondContact O-N 3.26Å; D237-S239 WeakPolarHBondContact OD1-CB 3.44Å; D237-S239 PolarHBondContact OD1-N 3.4Å
240N94.2Very high96.6Very high100 Ų10033.7 Ų33.754%0.53519%0.185SC..SBendtrans-153.870.7-179-175.153.5000110.6
241P96.2Very high96.7Very high7 Ų727.5 Ų27.55%0.04516%0.156CC..  trans-63.9139-176.428.1-37000111.1L193 L199 M200 V203 V235 D236 D237L193-P241 HydrophobicContact CD1-CG 4.02Å; L193-P241 HydrophobicContact CD2-CG 4.32Å; L199-P241 HydrophobicContact CB-CG 4.01Å; M200-P241 HydrophobicContact SD-CB 4.21Å; M200-P241 HydrophobicContact SD-CG 3.71Å; V203-P241 HydrophobicContact CG2-CB 4.3Å; V203-P241 HydrophobicContact CG2-CG 4.35Å; V203-P241 WeakPolarHBondContact CG2-O 3.34Å; V235-P241 HydrophobicContact CB-CB 4.37Å; V235-P241 HydrophobicContact CG1-CB 4.48Å; D236-P241 VanDerWaalsContact OD1-CA 3.28Å; D236-P241 WeakPolarHBondContact OD1-CA 3.17Å; D237-P241 VanDerWaalsContact O-CA 3.23Å; D237-P241 WeakPolarHBondContact O-CA 3.31Å; D237-P241 VanDerWaalsContact O-CB 3.3Å; D237-P241 WeakPolarHBondContact O-CB 3.31Å; D237-P241 WeakPolarHBondContact O-CD 3.42Å; D237-P241 VanDerWaalsContact O-N 3.13Å
242T97Very high96.7Very high64 Ų6430.6 Ų30.639%0.39317%0.169SC..SBendtrans-117.2-20.1169.869.80000112.3D236 G268 L273D236-T242 PolarHBondContact OD1-N 2.63Å; D236-T242 PolarHBondContact OD2-N 3.19Å; D236-T242 VanDerWaalsContact OD2-N 3.12Å; D236-T242 PolarHBondContact OD2-OG1 3.47Å; T242-G268 WeakPolarHBondContact O-CA 3.3Å; T242-L273 WeakPolarHBondContact OG1-CD1 3.46Å
243V98.1Very high96.5Very high1 Ų130.9 Ų30.91%0.00617%0.17CC..  trans-137.9132.4175.4175.40000109.8V235 D236 F267 D270 L273 Q277V235-V243 WeakPolarHBondContact CA-O 3.37Å; D236-V243 PolarHBondContact N-O 3.38Å; D236-V243 PolarHBondContact OD1-N 3.25Å; V243-F267 VanDerWaalsContact CA-O 3.27Å; V243-F267 WeakPolarHBondContact CA-O 3.42Å; V243-F267 WeakPolarHBondContact CG1-O 3.35Å; V243-D270 HydrophobicContact CG2-CB 3.93Å; V243-L273 HydrophobicContact CB-CB 3.94Å; V243-L273 HydrophobicContact CG1-CB 4.37Å; V243-L273 HydrophobicContact CG2-CB 3.66Å; V243-L273 HydrophobicContact CG2-CD1 4.17Å; V243-Q277 HydrophobicContact CG1-CG 3.8Å; V243-Q277 PolarHBondContact O-NE2 2.86Å
244A98.5Very high96.2Very high0 Ų034.3 Ų34.30%019%0.194CC..EExtended strand (participates in β ladder)trans-128.1154.2172.900000109.8M200 V203 L234 V235 F267M200-A244 HydrophobicContact CE-CB 3.58Å; V203-A244 HydrophobicContact CG1-CB 4.02Å; L234-A244 CarbonylContact O-C 3.56Å; L234-A244 VanDerWaalsContact O-CA 3.32Å; L234-A244 WeakPolarHBondContact O-CA 3.42Å; V235-A244 HydrophobicContact CG1-CB 3.92Å; A244-F267 HydrophobicContact CB-CB 4.46Å; A244-F267 HydrophobicContact CB-CD2 4.37Å; A244-F267 PolarHBondContact N-O 2.81Å; A244-F267 VanDerWaalsContact N-O 3.08Å; A244-F267 PolarHBondContact O-N 3.44Å
245S98.8Very high95.8Very high0 Ų037.2 Ų37.20%021%0.209CC..EExtended strand (participates in β ladder)trans-147.3148.3170.970.30000113.1L234 D265 Q277 H281L234-S245 PolarHBondContact N-O 3.04Å; L234-S245 PolarHBondContact O-N 2.89Å; S245-D265 CarbonylContact C-O 3.56Å; S245-D265 WeakPolarHBondContact CA-O 3.18Å; S245-Q277 PolarHBondContact OG-OE1 3.08Å; S245-H281 PolarHBondContact OG-CD2 2.93Å; S245-H281 VanDerWaalsContact OG-CD2 3.24Å; S245-H281 PolarHBondContact OG-NE2 3.27Å
246L98.7Very high95.4Very high0 Ų038.3 Ų38.30%022%0.22CC..EExtended strand (participates in β ladder)trans-122.5127.8179.1-79.975000108I209 Q211 I231 D232 W233 I264 D265 F267I209-L246 HydrophobicContact CG2-CD2 3.84Å; Q211-L246 HydrophobicContact CB-CD2 4.14Å; Q211-L246 HydrophobicContact CG-CB 4.38Å; Q211-L246 HydrophobicContact CG-CD2 3.82Å; I231-L246 HydrophobicContact CG2-CB 3.88Å; I231-L246 HydrophobicContact CG2-CD2 4.19Å; I231-L246 HydrophobicContact CG2-CG 4.09Å; D232-L246 CarbonylContact O-C 3.55Å; D232-L246 WeakPolarHBondContact O-CA 3.4Å; W233-L246 HydrophobicContact CD2-CD1 4.26Å; W233-L246 HydrophobicContact CD2-CD2 4.04Å; W233-L246 HydrophobicContact CD2-CG 3.82Å; W233-L246 HydrophobicContact CE3-CD1 3.69Å; W233-L246 HydrophobicContact CE3-CD2 3.92Å; W233-L246 HydrophobicContact CE3-CG 3.75Å; W233-L246 HydrophobicContact CG-CG 4.44Å; W233-L246 HydrophobicContact CH2-CD2 3.55Å; W233-L246 HydrophobicContact CH2-CG 4.32Å; W233-L246 HydrophobicContact CZ2-CD2 3.65Å; W233-L246 HydrophobicContact CZ2-CG 4.36Å; W233-L246 HydrophobicContact CZ3-CD1 3.87Å; W233-L246 HydrophobicContact CZ3-CD2 3.67Å; W233-L246 HydrophobicContact CZ3-CG 4.01Å; L246-I264 CarbonylContact O-C 3.59Å; L246-I264 WeakPolarHBondContact O-CA 3.24Å; L246-D265 HydrophobicContact CB-CB 4.39Å; L246-D265 PolarHBondContact N-O 3.44Å; L246-D265 PolarHBondContact O-N 2.86Å; L246-F267 HydrophobicContact CD1-CD2 4.27Å; L246-F267 HydrophobicContact CD1-CE2 3.71Å
247C98.6Very high95.1Very high0 Ų045.1 Ų45.10%026%0.256CS..EExtended strand (participates in β ladder)trans-119.7128.5178.5-176.20000111.1I231 D232 N263 I264 H281 H285I231-C247 CarbonylContact C-O 3.58Å; I231-C247 WeakPolarHBondContact CA-O 3.44Å; D232-C247 HydrophobicContact CB-CB 4.34Å; D232-C247 PolarHBondContact N-O 2.62Å; D232-C247 PolarHBondContact O-N 3.03Å; C247-N263 WeakPolarHBondContact CA-O 3.32Å; C247-I264 HydrophobicContact CB-CG1 4.23Å; C247-H281 HydrophobicContact CB-CB 4.26Å; C247-H281 WeakPolarHBondContact CB-CE1 3.4Å; C247-H281 WeakPolarHBondContact CB-ND1 3.49Å; C247-H285 PolarHBondContact SG-CD2 2.74Å
248T97Very high95.1Very high2 Ų245 Ų451%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-69.7144.8167.459.50000110.1Q211 D212 N263Q211-T248 VanDerWaalsContact NE2-CG2 3.27Å; D212-T248 HydrophobicContact CB-CG2 3.88Å; T248-N263 HydrophobicContact CG2-CB 4.05Å; T248-N263 PolarHBondContact N-O 3.4Å; T248-N263 PolarHBondContact OG1-N 2.71Å; T248-N263 PolarHBondContact OG1-O 3.22Å
249F95.5Very high95.3Very high78 Ų7844 Ų4434%0.34225%0.245SC..PPolyproline II helixtrans-64.5143.1168-82.3-123.2000110.6E230 D232 F251 H285E230-F249 HydrophobicContact CB-CB 4.07Å; E230-F249 HydrophobicContact CB-CD2 3.86Å; E230-F249 HydrophobicContact CB-CE2 4.49Å; E230-F249 HydrophobicContact CB-CG 3.95Å; E230-F249 WeakPolarHBondContact O-CD2 3.32Å; E230-F249 PolarHBondContact O-N 3.48Å; D232-F249 HydrophobicContact CB-CE2 4.24Å; F249-F251 PolarHBondContact O-N 2.9Å; F249-H285 AromaticContact CD2-CE1 3.88Å; F249-H285 AromaticContact CE2-CE1 3.65Å; F249-H285 AromaticContact CZ-CE1 3.91Å
250P96.4Very high95.5Very high33 Ų3342 Ų4221%0.21422%0.223CC..PPolyproline II helixtrans-60.3133.8-177.6-20.128.7000112.5Y260 Y261 L262 H285 L289P250-Y260 HydrophobicContact CB-CD1 4.37Å; P250-Y261 WeakPolarHBondContact CA-O 3.45Å; P250-L262 HydrophobicContact CB-CD2 4.45Å; P250-L262 HydrophobicContact CG-CD2 4.07Å; P250-H285 HydrophobicContact CG-CB 3.98Å; P250-H285 VanDerWaalsContact CG-O 3.32Å; P250-H285 WeakPolarHBondContact CG-O 3.31Å; P250-L289 HydrophobicContact CB-CD1 3.83Å; P250-L289 HydrophobicContact CB-CD2 4.33Å; P250-L289 HydrophobicContact CG-CD1 3.84Å; P250-L289 HydrophobicContact CG-CD2 4.48Å
251F95.3Very high95.6Very high16 Ų1638 Ų387%0.0720%0.201CC..EExtended strand (participates in β ladder)trans-126.1159.1178.162.4-87.8000112.1T50 F249 V253 Y260 Y261T50-F251 HydrophobicContact CG2-CB 4.04Å; F249-F251 PolarHBondContact O-N 2.9Å; F251-V253 HydrophobicContact CD2-CG1 4.17Å; F251-V253 HydrophobicContact CE2-CG1 3.75Å; F251-Y260 CarbonylContact O-C 3.52Å; F251-Y260 WeakPolarHBondContact O-CA 3.29Å; F251-Y261 WeakPolarHBondContact CD1-O 3.18Å; F251-Y261 AromaticContact CE1-CD1 3.85Å; F251-Y261 HydrophobicContact CE1-CD1 3.85Å; F251-Y261 HydrophobicContact CE1-CG 4.33Å; F251-Y261 WeakPolarHBondContact CE1-O 3.34Å; F251-Y261 HydrophobicContact CE2-CD1 4.41Å; F251-Y261 HydrophobicContact CE2-CG 4.27Å; F251-Y261 AromaticContact CZ-CD1 3.52Å; F251-Y261 HydrophobicContact CZ-CD1 3.52Å; F251-Y261 HydrophobicContact CZ-CE1 4.49Å; F251-Y261 AromaticContact CZ-CG 3.82Å; F251-Y261 HydrophobicContact CZ-CG 3.82Å; F251-Y261 PolarHBondContact N-O 3.35Å; F251-Y261 PolarHBondContact O-N 3.05Å
252K95Very high95.7Very high85 Ų8537.7 Ų37.737%0.3720%0.199SC..EExtended strand (participates in β ladder)trans-76.4143.9179.1-70.3-65.2-167.8172.70111.8T50 D257 W259 Y260T50-K252 PolarHBondContact OG1-O 2.69Å; K252-D257 PolarHBondContact NZ-O 3.09Å; K252-W259 WeakPolarHBondContact CD-O 3.37Å; K252-Y260 HydrophobicContact CD-CD1 4.04Å; K252-Y260 HydrophobicContact CD-CE1 3.86Å; K252-Y260 VanDerWaalsContact CE-CE1 3.41Å; K252-Y260 PolarHBondContact NZ-OH 3.42Å; K252-Y260 VanDerWaalsContact NZ-OH 3.1Å
253V94Very high95.8Very high7 Ų734.7 Ų34.74%0.04218%0.181CC..  trans-125.7150.6175.5-75.60000111.5L45 F251 I255 W259 Y261L45-V253 HydrophobicContact CD2-CG2 4.36Å; F251-V253 HydrophobicContact CD2-CG1 4.17Å; F251-V253 HydrophobicContact CE2-CG1 3.75Å; V253-I255 VanDerWaalsContact C-N 3.28Å; V253-I255 HydrophobicContact CB-CG1 4.43Å; V253-I255 HydrophobicContact CG2-CD1 4.13Å; V253-I255 HydrophobicContact CG2-CG1 3.71Å; V253-I255 PolarHBondContact O-N 3.2Å; V253-W259 HydrophobicContact CG2-CB 3.75Å; V253-W259 PolarHBondContact N-O 3.04Å; V253-Y261 HydrophobicContact CG1-CD2 4.13Å; V253-Y261 HydrophobicContact CG1-CG 4.13Å
254P91.6Very high95.8Very high81 Ų8134.7 Ų34.753%0.52618%0.181SC..THydrogen-bonded Turntrans-76.4-1.4-168.727.2-33.2000115.9G44 D46 G256G44-P254 WeakPolarHBondContact O-CD 3.24Å; G44-P254 VanDerWaalsContact O-CG 3.24Å; G44-P254 WeakPolarHBondContact O-CG 3.44Å; D46-P254 HydrophobicContact CB-CG 3.95Å; D46-P254 VanDerWaalsContact O-CD 3.31Å; D46-P254 WeakPolarHBondContact O-CD 3.5Å; P254-G256 PolarHBondContact O-N 3.25Å
255I90.8Very high95.8Very high62 Ų6234.7 Ų34.732%0.31818%0.181SC..THydrogen-bonded Turntrans-62.2-20.6173.245.6171.1000114.1G43 G44 L45 V253 W259G43-I255 WeakPolarHBondContact O-CG2 3.38Å; G44-I255 VanDerWaalsContact CA-CG2 3.47Å; G44-I255 WeakPolarHBondContact O-CG2 3.46Å; G44-I255 PolarHBondContact O-N 2.83Å; G44-I255 VanDerWaalsContact O-N 3.09Å; L45-I255 HydrophobicContact CD2-CD1 3.48Å; L45-I255 VanDerWaalsContact CD2-CD1 3.48Å; L45-I255 HydrophobicContact CD2-CG1 4.18Å; L45-I255 HydrophobicContact CD2-CG2 4.45Å; V253-I255 VanDerWaalsContact C-N 3.28Å; V253-I255 HydrophobicContact CB-CG1 4.43Å; V253-I255 HydrophobicContact CG2-CD1 4.13Å; V253-I255 HydrophobicContact CG2-CG1 3.71Å; V253-I255 PolarHBondContact O-N 3.2Å; I255-W259 HydrophobicContact CD1-CB 4Å; I255-W259 HydrophobicContact CD1-CD2 3.27Å; I255-W259 HydrophobicContact CD1-CE3 3.26Å; I255-W259 HydrophobicContact CD1-CG 3.62Å; I255-W259 HydrophobicContact CD1-CH2 4.42Å; I255-W259 HydrophobicContact CD1-CZ2 4.46Å; I255-W259 HydrophobicContact CD1-CZ3 3.87Å; I255-W259 HydrophobicContact CG1-CB 3.77Å; I255-W259 HydrophobicContact CG1-CD2 3.9Å; I255-W259 HydrophobicContact CG1-CE3 4.3Å; I255-W259 HydrophobicContact CG1-CG 3.67Å
256G90.3Very high95.8Very high23 Ų2334.9 Ų34.924%0.23718%0.182CC..  trans174.4158.6175.100000113.1P254 D258 W259P254-G256 PolarHBondContact O-N 3.25Å; G256-D258 PolarHBondContact O-N 2.78Å; G256-W259 PolarHBondContact O-N 3.09Å; G256-W259 VanDerWaalsContact O-N 3.17Å
257D89.9Confident95.8Very high163 Ų16335.1 Ų35.187%0.87218%0.183SC*.THydrogen-bonded Turntrans-64.9-23.4-171.9-64.1-28.1000113.8K252K252-D257 PolarHBondContact NZ-O 3.09Å
258D94.9Very high95.7Very high65 Ų6535.7 Ų35.735%0.34819%0.189SC..THydrogen-bonded Turntrans-105.215.7-179.372.7-29.2000113.7G256 G291 H292G256-D258 PolarHBondContact O-N 2.78Å; D258-G291 WeakPolarHBondContact O-CA 3.38Å; D258-H292 PolarHBondContact O-N 3.5Å; D258-H292 IonicContact OD2-CD2 3.11Å; D258-H292 PolarHBondContact OD2-CD2 2.9Å
259W97Very high95.7Very high49 Ų4943.4 Ų43.419%0.18622%0.222CC..EExtended strand (participates in β ladder)trans-98.1135.8178.8-75.277.9000113.2K252 V253 I255 G256 H292 M294K252-W259 WeakPolarHBondContact CD-O 3.37Å; V253-W259 HydrophobicContact CG2-CB 3.75Å; V253-W259 PolarHBondContact N-O 3.04Å; I255-W259 HydrophobicContact CD1-CB 4Å; I255-W259 HydrophobicContact CD1-CD2 3.27Å; I255-W259 HydrophobicContact CD1-CE3 3.26Å; I255-W259 HydrophobicContact CD1-CG 3.62Å; I255-W259 HydrophobicContact CD1-CH2 4.42Å; I255-W259 HydrophobicContact CD1-CZ2 4.46Å; I255-W259 HydrophobicContact CD1-CZ3 3.87Å; I255-W259 HydrophobicContact CG1-CB 3.77Å; I255-W259 HydrophobicContact CG1-CD2 3.9Å; I255-W259 HydrophobicContact CG1-CE3 4.3Å; I255-W259 HydrophobicContact CG1-CG 3.67Å; G256-W259 PolarHBondContact O-N 3.09Å; G256-W259 VanDerWaalsContact O-N 3.17Å; W259-H292 CarbonylContact C-O 3.53Å; W259-H292 WeakPolarHBondContact CA-O 3.49Å; W259-H292 HydrophobicContact CD2-CB 3.36Å; W259-H292 VanDerWaalsContact CE2-CB 3.41Å; W259-H292 AromaticContact CE2-CD2 3.96Å; W259-H292 AromaticContact CE2-CG 3.72Å; W259-H292 HydrophobicContact CE3-CB 3.47Å; W259-H292 VanDerWaalsContact CE3-CB 3.47Å; W259-H292 HydrophobicContact CG-CB 4Å; W259-H292 HydrophobicContact CH2-CB 3.75Å; W259-H292 HydrophobicContact CZ2-CB 3.62Å; W259-H292 AromaticContact CZ2-CG 3.65Å; W259-H292 HydrophobicContact CZ3-CB 3.67Å; W259-H292 AromaticContact NE1-CD2 3.87Å; W259-M294 HydrophobicContact CZ3-CE 4.03Å
260Y97.6Very high95.8Very high45 Ų4543.2 Ų43.218%0.17623%0.225CC..EExtended strand (participates in β ladder)trans-120155.9173.2-56.5-95.6000110.4P250 F251 K252 L289 K290 H292 V293 M294P250-Y260 HydrophobicContact CB-CD1 4.37Å; F251-Y260 CarbonylContact O-C 3.52Å; F251-Y260 WeakPolarHBondContact O-CA 3.29Å; K252-Y260 HydrophobicContact CD-CD1 4.04Å; K252-Y260 HydrophobicContact CD-CE1 3.86Å; K252-Y260 VanDerWaalsContact CE-CE1 3.41Å; K252-Y260 PolarHBondContact NZ-OH 3.42Å; K252-Y260 VanDerWaalsContact NZ-OH 3.1Å; Y260-L289 HydrophobicContact CD1-CD1 4.44Å; Y260-L289 HydrophobicContact CD1-CD2 3.93Å; Y260-L289 HydrophobicContact CD2-CD1 4.37Å; Y260-L289 HydrophobicContact CE1-CD2 3.8Å; Y260-L289 HydrophobicContact CE2-CD2 4.49Å; Y260-L289 HydrophobicContact CG-CD1 4.1Å; Y260-L289 HydrophobicContact CG-CD2 4.32Å; Y260-K290 WeakPolarHBondContact CE2-O 3.38Å; Y260-H292 PolarHBondContact N-O 3.25Å; Y260-V293 CarbonylContact O-C 3.6Å; Y260-V293 WeakPolarHBondContact O-CA 3.32Å; Y260-M294 PolarHBondContact O-N 3.31Å
261Y97.4Very high95.9Very high16 Ų1644.2 Ų44.26%0.06323%0.228CC..EExtended strand (participates in β ladder)trans-131.3140.1175.1-158.8-77.6000109.7L45 P250 F251 V253 N263 M294 Q296L45-Y261 HydrophobicContact CB-CD2 4.31Å; L45-Y261 HydrophobicContact CB-CE2 4.04Å; L45-Y261 HydrophobicContact CD1-CE2 4.11Å; L45-Y261 HydrophobicContact CD2-CD2 4Å; L45-Y261 HydrophobicContact CD2-CE2 4.09Å; L45-Y261 HydrophobicContact CG-CE2 4.3Å; P250-Y261 WeakPolarHBondContact CA-O 3.45Å; F251-Y261 WeakPolarHBondContact CD1-O 3.18Å; F251-Y261 AromaticContact CE1-CD1 3.85Å; F251-Y261 HydrophobicContact CE1-CD1 3.85Å; F251-Y261 HydrophobicContact CE1-CG 4.33Å; F251-Y261 WeakPolarHBondContact CE1-O 3.34Å; F251-Y261 HydrophobicContact CE2-CD1 4.41Å; F251-Y261 HydrophobicContact CE2-CG 4.27Å; F251-Y261 AromaticContact CZ-CD1 3.52Å; F251-Y261 HydrophobicContact CZ-CD1 3.52Å; F251-Y261 HydrophobicContact CZ-CE1 4.49Å; F251-Y261 AromaticContact CZ-CG 3.82Å; F251-Y261 HydrophobicContact CZ-CG 3.82Å; F251-Y261 PolarHBondContact N-O 3.35Å; F251-Y261 PolarHBondContact O-N 3.05Å; V253-Y261 HydrophobicContact CG1-CD2 4.13Å; V253-Y261 HydrophobicContact CG1-CG 4.13Å; Y261-N263 WeakPolarHBondContact CE1-OD1 3.21Å; Y261-M294 VanDerWaalsContact CA-O 3.3Å; Y261-M294 WeakPolarHBondContact CA-O 3.48Å; Y261-M294 HydrophobicContact CD2-CB 3.53Å; Y261-M294 HydrophobicContact CD2-CG 3.61Å; Y261-M294 HydrophobicContact CE2-CB 3.85Å; Y261-M294 HydrophobicContact CE2-CG 3.36Å; Y261-M294 HydrophobicContact CG-CB 4.3Å; Y261-Q296 HydrophobicContact CE1-CB 4.08Å; Y261-Q296 WeakPolarHBondContact OH-CB 3.3Å; Y261-Q296 PolarHBondContact OH-OE1 2.8Å
262L97.6Very high95.9Very high1 Ų145.4 Ų45.41%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-146.2146.6170.467.2101.8000110.6P250 I264 T286 V293 M294 C295 Q296P250-L262 HydrophobicContact CB-CD2 4.45Å; P250-L262 HydrophobicContact CG-CD2 4.07Å; L262-I264 HydrophobicContact CD1-CD1 3.84Å; L262-I264 HydrophobicContact CD1-CG1 3.66Å; L262-T286 HydrophobicContact CD2-CG2 4.11Å; L262-V293 HydrophobicContact CD2-CG1 3.67Å; L262-V293 HydrophobicContact CG-CG1 4.4Å; L262-M294 PolarHBondContact N-O 2.94Å; L262-C295 HydrophobicContact CD1-CB 4.36Å; L262-C295 HydrophobicContact CG-CB 4.39Å; L262-C295 WeakPolarHBondContact O-CA 3.24Å; L262-Q296 PolarHBondContact O-N 2.86Å
263N98Very high96Very high2 Ų242.9 Ų42.91%0.01123%0.229CC..EExtended strand (participates in β ladder)trans-107.7135.7175.5-72.6-50.5000109.9D212 C247 T248 Y261 Q296 F298D212-N263 PolarHBondContact OD1-ND2 3.38Å; C247-N263 WeakPolarHBondContact CA-O 3.32Å; T248-N263 HydrophobicContact CG2-CB 4.05Å; T248-N263 PolarHBondContact N-O 3.4Å; T248-N263 PolarHBondContact OG1-N 2.71Å; T248-N263 PolarHBondContact OG1-O 3.22Å; Y261-N263 WeakPolarHBondContact CE1-OD1 3.21Å; N263-Q296 CarbonylContact C-O 3.55Å; N263-Q296 VanDerWaalsContact CA-O 3.31Å; N263-Q296 WeakPolarHBondContact CA-O 3.48Å; N263-Q296 VanDerWaalsContact OD1-CB 3.29Å; N263-Q296 WeakPolarHBondContact OD1-CB 3.13Å; N263-Q296 PolarHBondContact OD1-OE1 3.17Å; N263-F298 HydrophobicContact CB-CE2 4.25Å
264I98.7Very high96.2Very high0 Ų042.8 Ų42.80%023%0.228CC..EExtended strand (participates in β ladder)trans-121.5107.9170.9-54.3176.4000108L246 C247 L262 M266 F278 H281 Q296 I297 F298L246-I264 CarbonylContact O-C 3.59Å; L246-I264 WeakPolarHBondContact O-CA 3.24Å; C247-I264 HydrophobicContact CB-CG1 4.23Å; L262-I264 HydrophobicContact CD1-CD1 3.84Å; L262-I264 HydrophobicContact CD1-CG1 3.66Å; I264-M266 HydrophobicContact CG2-CG 3.73Å; I264-M266 HydrophobicContact CG2-SD 4.31Å; I264-F278 HydrophobicContact CD1-CD2 3.58Å; I264-F278 HydrophobicContact CD1-CE2 3.77Å; I264-H281 HydrophobicContact CD1-CB 3.78Å; I264-H281 HydrophobicContact CG1-CB 4.45Å; I264-Q296 PolarHBondContact N-O 3.13Å; I264-I297 HydrophobicContact CB-CG2 4.48Å; I264-I297 CarbonylContact O-C 3.59Å; I264-I297 VanDerWaalsContact O-CA 3.3Å; I264-I297 WeakPolarHBondContact O-CA 3.33Å; I264-F298 PolarHBondContact O-N 2.95Å
265D98.7Very high96.5Very high0 Ų040.9 Ų40.90%021%0.213CC..EExtended strand (participates in β ladder)trans-90.8112.5176-55.2-77.2000108.8I210 Q211 D212 S245 L246 F267 F298I210-D265 WeakPolarHBondContact O-CB 3.21Å; Q211-D265 WeakPolarHBondContact CA-OD2 3.23Å; D212-D265 PolarHBondContact N-OD2 2.96Å; S245-D265 CarbonylContact C-O 3.56Å; S245-D265 WeakPolarHBondContact CA-O 3.18Å; L246-D265 HydrophobicContact CB-CB 4.39Å; L246-D265 PolarHBondContact N-O 3.44Å; L246-D265 PolarHBondContact O-N 2.86Å; D265-F267 HydrophobicContact CB-CE2 4.07Å; D265-F267 HydrophobicContact CB-CZ 3.97Å; D265-F267 WeakPolarHBondContact O-CE2 3.41Å; D265-F298 WeakPolarHBondContact OD1-CD2 3.11Å
266M98.4Very high96.7Very high5 Ų539.5 Ų39.53%0.02521%0.205CC..EExtended strand (participates in β ladder)trans-111.2138.3-175.7-54.6-179.274.900111.4Q147 I264 A274 Q277 F278 I297 F298 L299 M307Q147-M266 PolarHBondContact NE2-O 3.46Å; I264-M266 HydrophobicContact CG2-CG 3.73Å; I264-M266 HydrophobicContact CG2-SD 4.31Å; M266-A274 VanDerWaalsContact CE-C 3.42Å; M266-A274 VanDerWaalsContact CE-CA 3.42Å; M266-A274 HydrophobicContact CE-CB 3.51Å; M266-A274 WeakPolarHBondContact CE-O 3.48Å; M266-Q277 HydrophobicContact CE-CB 4.06Å; M266-F278 HydrophobicContact CE-CB 4.11Å; M266-F278 HydrophobicContact SD-CB 4.38Å; M266-I297 HydrophobicContact CG-CG2 4Å; M266-I297 HydrophobicContact SD-CG2 3.44Å; M266-I297 WeakPolarHBondContact SD-CG2 3.37Å; M266-F298 WeakPolarHBondContact CA-O 3.27Å; M266-F298 WeakPolarHBondContact CB-O 3.23Å; M266-F298 PolarHBondContact N-O 3.34Å; M266-L299 HydrophobicContact CB-CB 4.3Å; M266-M307 HydrophobicContact CE-CE 4.25Å; M266-M307 HydrophobicContact SD-CE 4.38Å
267F98.4Very high97.1Very high4 Ų438.4 Ų38.42%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-128.7147.9-176.3-50.9-77.4000110V203 L204 P205 I210 V243 A244 L246 D265V203-F267 HydrophobicContact CG1-CB 3.8Å; L204-F267 HydrophobicContact CD2-CB 4Å; L204-F267 HydrophobicContact CD2-CD1 3.61Å; L204-F267 HydrophobicContact CD2-CD2 3.78Å; L204-F267 HydrophobicContact CD2-CE1 3.95Å; L204-F267 HydrophobicContact CD2-CE2 4.16Å; L204-F267 HydrophobicContact CD2-CG 3.49Å; L204-F267 VanDerWaalsContact CD2-CG 3.49Å; L204-F267 HydrophobicContact CD2-CZ 4.2Å; P205-F267 HydrophobicContact CG-CD1 4.26Å; P205-F267 HydrophobicContact CG-CE1 4.47Å; I210-F267 WeakPolarHBondContact O-CZ 3.4Å; V243-F267 VanDerWaalsContact CA-O 3.27Å; V243-F267 WeakPolarHBondContact CA-O 3.42Å; V243-F267 WeakPolarHBondContact CG1-O 3.35Å; A244-F267 HydrophobicContact CB-CB 4.46Å; A244-F267 HydrophobicContact CB-CD2 4.37Å; A244-F267 PolarHBondContact N-O 2.81Å; A244-F267 VanDerWaalsContact N-O 3.08Å; A244-F267 PolarHBondContact O-N 3.44Å; L246-F267 HydrophobicContact CD1-CD2 4.27Å; L246-F267 HydrophobicContact CD1-CE2 3.71Å; D265-F267 HydrophobicContact CB-CE2 4.07Å; D265-F267 HydrophobicContact CB-CZ 3.97Å; D265-F267 WeakPolarHBondContact O-CE2 3.41Å
268G97.3Very high97.5Very high13 Ų1330.7 Ų30.713%0.13415%0.152CC..SBendtrans99.5176.2-171.500000113.1V203 T242V203-G268 PolarHBondContact O-N 2.93Å; T242-G268 WeakPolarHBondContact O-CA 3.3Å
269K97.1Very high97.6Very high164 Ų16429 Ų2971%0.71314%0.143SC*.SBendtrans-124.7-4.2-169.4-53.1-168.6178.9177.90113.9L271 E300K269-L271 PolarHBondContact O-N 3.29Å; K269-E300 HydrophobicContact CG-CG 4.18Å
270D97.4Very high97.6Very high74 Ų7428.4 Ų28.440%0.39615%0.146SC..  trans-82.5113.9179-170.2-65.6000109.9V243 S272 L273 A274V243-D270 HydrophobicContact CG2-CB 3.93Å; D270-S272 VanDerWaalsContact C-N 3.33Å; D270-S272 PolarHBondContact O-N 2.98Å; D270-S272 WeakPolarHBondContact OD1-CA 3.28Å; D270-S272 WeakPolarHBondContact OD1-CB 3.43Å; D270-S272 PolarHBondContact OD1-N 3.23Å; D270-L273 HydrophobicContact CB-CB 4.12Å; D270-L273 HydrophobicContact CB-CD1 3.94Å; D270-L273 HydrophobicContact CB-CG 4.18Å; D270-L273 PolarHBondContact OD1-N 3.47Å; D270-A274 WeakPolarHBondContact O-CB 3.38Å; D270-A274 PolarHBondContact O-N 2.87Å
271L97.4Very high97.6Very high53 Ų5326.2 Ų26.228%0.27714%0.137SC..Hα-helixtrans-61.9-39.8-178.717764000112.5K269 A274 Q275 L303 P306K269-L271 PolarHBondContact O-N 3.29Å; L271-A274 PolarHBondContact O-N 2.79Å; L271-Q275 HydrophobicContact CD1-CG 4.26Å; L271-Q275 VanDerWaalsContact O-CG 3.27Å; L271-Q275 WeakPolarHBondContact O-CG 3.46Å; L271-Q275 PolarHBondContact O-N 3.26Å; L271-L303 HydrophobicContact CB-CD2 3.87Å; L271-L303 HydrophobicContact CD1-CD2 4.23Å; L271-P306 HydrophobicContact CD1-CB 3.89Å; L271-P306 HydrophobicContact CD1-CG 4.02Å; L271-P306 HydrophobicContact CD2-CB 3.56Å; L271-P306 HydrophobicContact CD2-CG 4.13Å; L271-P306 HydrophobicContact CG-CB 4.37Å
272S96.3Very high97.6Very high42 Ų4225.5 Ų25.529%0.29414%0.135SC..Hα-helixtrans-70.2-45.6-174.5-1710000110.4P178 D270 A274 Q275 Q276P178-S272 WeakPolarHBondContact CG-OG 3.32Å; D270-S272 VanDerWaalsContact C-N 3.33Å; D270-S272 PolarHBondContact O-N 2.98Å; D270-S272 WeakPolarHBondContact OD1-CA 3.28Å; D270-S272 WeakPolarHBondContact OD1-CB 3.43Å; D270-S272 PolarHBondContact OD1-N 3.23Å; S272-A274 VanDerWaalsContact C-N 3.34Å; S272-Q275 PolarHBondContact O-N 2.9Å; S272-Q276 WeakPolarHBondContact O-CG 3.21Å; S272-Q276 PolarHBondContact O-N 3.42Å
273L97.2Very high97.5Very high32 Ų3229.9 Ų29.917%0.16816%0.155CC..Hα-helixtrans-65.7-38.5175.9-63.6176.4000111.4D236 T242 V243 D270 Q276 Q277D236-L273 HydrophobicContact CB-CD1 4.04Å; D236-L273 HydrophobicContact CB-CD2 4.12Å; D236-L273 HydrophobicContact CB-CG 4.47Å; D236-L273 WeakPolarHBondContact OD2-CD1 3.39Å; T242-L273 WeakPolarHBondContact OG1-CD1 3.46Å; V243-L273 HydrophobicContact CB-CB 3.94Å; V243-L273 HydrophobicContact CG1-CB 4.37Å; V243-L273 HydrophobicContact CG2-CB 3.66Å; V243-L273 HydrophobicContact CG2-CD1 4.17Å; D270-L273 HydrophobicContact CB-CB 4.12Å; D270-L273 HydrophobicContact CB-CD1 3.94Å; D270-L273 HydrophobicContact CB-CG 4.18Å; D270-L273 PolarHBondContact OD1-N 3.47Å; L273-Q276 PolarHBondContact O-N 3.3Å; L273-Q277 WeakPolarHBondContact O-CB 3.47Å; L273-Q277 WeakPolarHBondContact O-CG 3.43Å; L273-Q277 PolarHBondContact O-N 3.37Å
274A97.9Very high97.3Very high4 Ų436.1 Ų36.13%0.03318%0.178CC..Hα-helixtrans-58.9-48.3171.800000111.4M266 D270 L271 S272 Q276 Q277 F278 L303 M307M266-A274 VanDerWaalsContact CE-C 3.42Å; M266-A274 VanDerWaalsContact CE-CA 3.42Å; M266-A274 HydrophobicContact CE-CB 3.51Å; M266-A274 WeakPolarHBondContact CE-O 3.48Å; D270-A274 WeakPolarHBondContact O-CB 3.38Å; D270-A274 PolarHBondContact O-N 2.87Å; L271-A274 PolarHBondContact O-N 2.79Å; S272-A274 VanDerWaalsContact C-N 3.34Å; A274-Q276 VanDerWaalsContact C-N 3.28Å; A274-Q276 PolarHBondContact O-N 2.96Å; A274-Q277 WeakPolarHBondContact O-CB 3.42Å; A274-Q277 PolarHBondContact O-N 3.33Å; A274-F278 WeakPolarHBondContact O-CB 2.91Å; A274-F278 PolarHBondContact O-N 2.95Å; A274-L303 HydrophobicContact CB-CD1 4.33Å; A274-M307 HydrophobicContact CB-CE 3.98Å
275Q97.7Very high97.2Very high41 Ų4136.7 Ų36.719%0.19218%0.181CC..Hα-helixtrans-58.8-39.3177-74169.3-9.900112.2L271 S272 F278 L279 M307 F310L271-Q275 HydrophobicContact CD1-CG 4.26Å; L271-Q275 VanDerWaalsContact O-CG 3.27Å; L271-Q275 WeakPolarHBondContact O-CG 3.46Å; L271-Q275 PolarHBondContact O-N 3.26Å; S272-Q275 PolarHBondContact O-N 2.9Å; Q275-F278 PolarHBondContact O-N 2.97Å; Q275-L279 WeakPolarHBondContact O-CB 3.09Å; Q275-L279 VanDerWaalsContact O-CG 3.23Å; Q275-L279 WeakPolarHBondContact O-CG 3.47Å; Q275-L279 PolarHBondContact O-N 3.42Å; Q275-M307 HydrophobicContact CG-CE 4.04Å; Q275-M307 HydrophobicContact CG-SD 4.16Å; Q275-F310 HydrophobicContact CB-CE1 4.38Å; Q275-F310 HydrophobicContact CB-CE2 4.5Å; Q275-F310 HydrophobicContact CB-CZ 4.3Å; Q275-F310 HydrophobicContact CG-CD1 4.02Å; Q275-F310 HydrophobicContact CG-CD2 4.13Å; Q275-F310 HydrophobicContact CG-CE1 4.21Å; Q275-F310 HydrophobicContact CG-CE2 4.31Å; Q275-F310 HydrophobicContact CG-CG 3.97Å; Q275-F310 HydrophobicContact CG-CZ 4.36Å
276Q96.2Very high97Very high33 Ų3336.8 Ų36.815%0.15418%0.182CC..Hα-helixtrans-64.1-46.1176.4-68.5173.920.500112.5P178 P182 S272 L273 A274 F278 L279 C280P178-Q276 PolarHBondContact O-NE2 3.45Å; P182-Q276 HydrophobicContact CG-CB 4.01Å; S272-Q276 WeakPolarHBondContact O-CG 3.21Å; S272-Q276 PolarHBondContact O-N 3.42Å; L273-Q276 PolarHBondContact O-N 3.3Å; A274-Q276 VanDerWaalsContact C-N 3.28Å; A274-Q276 PolarHBondContact O-N 2.96Å; Q276-F278 VanDerWaalsContact C-N 3.33Å; Q276-F278 PolarHBondContact O-N 2.99Å; Q276-L279 PolarHBondContact O-N 3.31Å; Q276-C280 WeakPolarHBondContact O-CB 3.43Å; Q276-C280 PolarHBondContact O-N 3.37Å
277Q97.4Very high96.7Very high1 Ų139.4 Ų39.41%0.00520%0.196CC..Hα-helixtrans-57.4-47.2175.4-69.3-97.59.800111P182 L234 V243 S245 M266 L273 A274 C280 H281P182-Q277 HydrophobicContact CG-CG 4.31Å; L234-Q277 PolarHBondContact O-NE2 3.33Å; L234-Q277 PolarHBondContact O-OE1 2.84Å; V243-Q277 HydrophobicContact CG1-CG 3.8Å; V243-Q277 PolarHBondContact O-NE2 2.86Å; S245-Q277 PolarHBondContact OG-OE1 3.08Å; M266-Q277 HydrophobicContact CE-CB 4.06Å; L273-Q277 WeakPolarHBondContact O-CB 3.47Å; L273-Q277 WeakPolarHBondContact O-CG 3.43Å; L273-Q277 PolarHBondContact O-N 3.37Å; A274-Q277 WeakPolarHBondContact O-CB 3.42Å; A274-Q277 PolarHBondContact O-N 3.33Å; Q277-C280 WeakPolarHBondContact O-CB 3.43Å; Q277-C280 PolarHBondContact O-N 3.42Å; Q277-H281 PolarHBondContact O-CD2 2.86Å; Q277-H281 PolarHBondContact O-N 2.61Å; Q277-H281 VanDerWaalsContact O-N 3.08Å
278F98.1Very high96.5Very high0 Ų045.8 Ų45.80%023%0.23CC..Hα-helixtrans-62-46.9178.2178.2-136.9000112.4I264 M266 A274 Q275 Q276 C280 H281 L282 I297 M307 F310 C311 L315I264-F278 HydrophobicContact CD1-CD2 3.58Å; I264-F278 HydrophobicContact CD1-CE2 3.77Å; M266-F278 HydrophobicContact CE-CB 4.11Å; M266-F278 HydrophobicContact SD-CB 4.38Å; A274-F278 WeakPolarHBondContact O-CB 2.91Å; A274-F278 PolarHBondContact O-N 2.95Å; Q275-F278 PolarHBondContact O-N 2.97Å; Q276-F278 VanDerWaalsContact C-N 3.33Å; Q276-F278 PolarHBondContact O-N 2.99Å; F278-C280 VanDerWaalsContact C-N 3.32Å; F278-C280 PolarHBondContact O-N 3.23Å; F278-H281 PolarHBondContact O-N 3.03Å; F278-L282 HydrophobicContact CD1-CD1 4.32Å; F278-L282 HydrophobicContact CD2-CD1 4.16Å; F278-L282 HydrophobicContact CD2-CG 3.97Å; F278-L282 HydrophobicContact CE1-CD1 3.83Å; F278-L282 HydrophobicContact CE2-CD1 3.64Å; F278-L282 HydrophobicContact CE2-CD2 3.77Å; F278-L282 HydrophobicContact CE2-CG 3.59Å; F278-L282 HydrophobicContact CG-CD1 4.48Å; F278-L282 HydrophobicContact CZ-CD1 3.46Å; F278-L282 VanDerWaalsContact CZ-CD1 3.46Å; F278-L282 HydrophobicContact CZ-CD2 4.21Å; F278-L282 HydrophobicContact CZ-CG 3.98Å; F278-L282 WeakPolarHBondContact O-CG 3.44Å; F278-L282 PolarHBondContact O-N 3Å; F278-I297 HydrophobicContact CD2-CD1 4.04Å; F278-I297 HydrophobicContact CE1-CD1 4.05Å; F278-I297 HydrophobicContact CE2-CD1 3.43Å; F278-I297 VanDerWaalsContact CE2-CD1 3.43Å; F278-I297 HydrophobicContact CE2-CG1 4.02Å; F278-I297 HydrophobicContact CZ-CD1 3.42Å; F278-I297 VanDerWaalsContact CZ-CD1 3.42Å; F278-I297 HydrophobicContact CZ-CG1 4.45Å; F278-M307 HydrophobicContact CD1-SD 3.94Å; F278-M307 HydrophobicContact CE1-SD 4.43Å; F278-F310 HydrophobicContact CD1-CD1 4.35Å; F278-F310 HydrophobicContact CD1-CE1 4.08Å; F278-F310 HydrophobicContact CE1-CE1 4.43Å; F278-C311 VanDerWaalsContact CE1-SG 3.59Å; F278-L315 HydrophobicContact CD1-CD1 4.19Å; F278-L315 HydrophobicContact CE1-CD1 3.42Å; F278-L315 VanDerWaalsContact CE1-CD1 3.42Å; F278-L315 HydrophobicContact CZ-CD1 4.05Å
279L97.4Very high96.5Very high30 Ų3046.6 Ų46.616%0.15723%0.231CC..Hα-helixtrans-59.7-41.6176.1-74.8174000112.3L163 I166 I167 Q275 Q276 L282 Q283 F310 L315L163-L279 HydrophobicContact CD2-CD2 3.7Å; I166-L279 HydrophobicContact CD1-CD2 3.69Å; I167-L279 HydrophobicContact CD1-CB 4.29Å; Q275-L279 WeakPolarHBondContact O-CB 3.09Å; Q275-L279 VanDerWaalsContact O-CG 3.23Å; Q275-L279 WeakPolarHBondContact O-CG 3.47Å; Q275-L279 PolarHBondContact O-N 3.42Å; Q276-L279 PolarHBondContact O-N 3.31Å; L279-L282 PolarHBondContact O-N 2.88Å; L279-Q283 WeakPolarHBondContact O-CB 3.46Å; L279-Q283 PolarHBondContact O-N 3.12Å; L279-F310 HydrophobicContact CD1-CZ 4.06Å; L279-F310 HydrophobicContact CD2-CE1 4.31Å; L279-F310 HydrophobicContact CD2-CZ 4.01Å; L279-F310 HydrophobicContact CG-CE1 4.39Å; L279-F310 HydrophobicContact CG-CZ 4.05Å; L279-L315 HydrophobicContact CD2-CD2 3.73Å
280C96.6Very high96.5Very high36 Ų3646.3 Ų46.324%0.24323%0.23CC..Hα-helixtrans-60.7-48.5178.2-169.10000111.1P182 L234 Q276 Q277 F278 Q283 R284P182-C280 HydrophobicContact CG-CB 4.3Å; L234-C280 HydrophobicContact CD1-CB 3.73Å; Q276-C280 WeakPolarHBondContact O-CB 3.43Å; Q276-C280 PolarHBondContact O-N 3.37Å; Q277-C280 WeakPolarHBondContact O-CB 3.43Å; Q277-C280 PolarHBondContact O-N 3.42Å; F278-C280 VanDerWaalsContact C-N 3.32Å; F278-C280 PolarHBondContact O-N 3.23Å; C280-Q283 PolarHBondContact O-N 3.41Å; C280-R284 WeakPolarHBondContact O-CB 3.38Å; C280-R284 PolarHBondContact O-N 2.93Å
281H97.8Very high96.5Very high0 Ų042.9 Ų42.90%021%0.212CC..Hα-helixtrans-61-47.2175.9-77.9-48.5000112.6D232 L234 S245 C247 I264 Q277 F278 Q283 R284 H285D232-H281 IonicContact OD2-CE1 3.14Å; D232-H281 IonicContact OD2-ND1 2.76Å; L234-H281 VanDerWaalsContact CD1-CE1 3.42Å; L234-H281 WeakPolarHBondContact CD1-CE1 3.34Å; L234-H281 WeakPolarHBondContact CD1-NE2 3.48Å; S245-H281 PolarHBondContact OG-CD2 2.93Å; S245-H281 VanDerWaalsContact OG-CD2 3.24Å; S245-H281 PolarHBondContact OG-NE2 3.27Å; C247-H281 HydrophobicContact CB-CB 4.26Å; C247-H281 WeakPolarHBondContact CB-CE1 3.4Å; C247-H281 WeakPolarHBondContact CB-ND1 3.49Å; I264-H281 HydrophobicContact CD1-CB 3.78Å; I264-H281 HydrophobicContact CG1-CB 4.45Å; Q277-H281 PolarHBondContact O-CD2 2.86Å; Q277-H281 PolarHBondContact O-N 2.61Å; Q277-H281 VanDerWaalsContact O-N 3.08Å; F278-H281 PolarHBondContact O-N 3.03Å; H281-Q283 VanDerWaalsContact C-N 3.34Å; H281-Q283 PolarHBondContact O-N 3.06Å; H281-R284 PolarHBondContact O-N 2.82Å; H281-H285 AromaticContact ND1-CD2 3.76Å; H281-H285 AromaticContact ND1-NE2 3.69Å; H281-H285 WeakPolarHBondContact O-CB 3.01Å; H281-H285 PolarHBondContact O-CD2 3.17Å; H281-H285 VanDerWaalsContact O-CD2 3.25Å; H281-H285 PolarHBondContact O-N 3.41Å
282L97.5Very high96.5Very high1 Ų143.2 Ų43.21%0.00521%0.212CC..Hα-helixtrans-59-46178-73.1-177.6000111.6F154 L159 L163 F278 L279 R284 T286 L315F154-L282 HydrophobicContact CE1-CD2 4.16Å; F154-L282 HydrophobicContact CZ-CD2 3.83Å; L159-L282 HydrophobicContact CD1-CD1 4.43Å; L159-L282 HydrophobicContact CD2-CB 4.29Å; L159-L282 HydrophobicContact CD2-CD1 4.1Å; L159-L282 HydrophobicContact CD2-CD2 4.01Å; L159-L282 HydrophobicContact CD2-CG 4.37Å; L163-L282 HydrophobicContact CD1-CB 4.07Å; L163-L282 HydrophobicContact CD2-CB 4.47Å; F278-L282 HydrophobicContact CD1-CD1 4.32Å; F278-L282 HydrophobicContact CD2-CD1 4.16Å; F278-L282 HydrophobicContact CD2-CG 3.97Å; F278-L282 HydrophobicContact CE1-CD1 3.83Å; F278-L282 HydrophobicContact CE2-CD1 3.64Å; F278-L282 HydrophobicContact CE2-CD2 3.77Å; F278-L282 HydrophobicContact CE2-CG 3.59Å; F278-L282 HydrophobicContact CG-CD1 4.48Å; F278-L282 HydrophobicContact CZ-CD1 3.46Å; F278-L282 VanDerWaalsContact CZ-CD1 3.46Å; F278-L282 HydrophobicContact CZ-CD2 4.21Å; F278-L282 HydrophobicContact CZ-CG 3.98Å; F278-L282 WeakPolarHBondContact O-CG 3.44Å; F278-L282 PolarHBondContact O-N 3Å; L279-L282 PolarHBondContact O-N 2.88Å; L282-R284 VanDerWaalsContact C-N 3.31Å; L282-R284 PolarHBondContact O-N 3.2Å; L282-T286 HydrophobicContact CD2-CG2 4.26Å; L282-T286 WeakPolarHBondContact O-CB 3.34Å; L282-T286 WeakPolarHBondContact O-CG2 3.48Å; L282-T286 PolarHBondContact O-N 2.82Å; L282-T286 PolarHBondContact O-OG1 3.44Å; L282-L315 HydrophobicContact CD1-CD1 3.69Å
283Q95.1Very high96.6Very high93 Ų9341.2 Ų41.244%0.43520%0.198SC..Hα-helixtrans-61.8-40.5178.8-173179.63200111.7L163 I167 L279 C280 H281 N287L163-Q283 HydrophobicContact CD1-CB 4.27Å; I167-Q283 HydrophobicContact CD1-CB 4.31Å; L279-Q283 WeakPolarHBondContact O-CB 3.46Å; L279-Q283 PolarHBondContact O-N 3.12Å; C280-Q283 PolarHBondContact O-N 3.41Å; H281-Q283 VanDerWaalsContact C-N 3.34Å; H281-Q283 PolarHBondContact O-N 3.06Å; Q283-N287 WeakPolarHBondContact O-CB 3.47Å
284R94.2Very high96.6Very high132 Ų13240.2 Ų40.250%0.49819%0.193SC..Hα-helixtrans-74.9-48.1-177.1-176.7169.5171.482.7-9.2112.7D232 C280 H281 L282D232-R284 VanDerWaalsContact CG-NE 3.29Å; D232-R284 IonicContact OD1-CZ 2.8Å; D232-R284 IonicContact OD1-NE 3.67Å; D232-R284 PolarHBondContact OD1-NE 2.76Å; D232-R284 IonicContact OD1-NH2 2.79Å; D232-R284 PolarHBondContact OD1-NH2 2.93Å; D232-R284 VanDerWaalsContact OD1-NH2 3.08Å; D232-R284 VanDerWaalsContact OD2-CD 3.24Å; D232-R284 WeakPolarHBondContact OD2-CD 3.04Å; D232-R284 IonicContact OD2-NE 2.66Å; D232-R284 PolarHBondContact OD2-NE 3.1Å; C280-R284 WeakPolarHBondContact O-CB 3.38Å; C280-R284 PolarHBondContact O-N 2.93Å; H281-R284 PolarHBondContact O-N 2.82Å; L282-R284 VanDerWaalsContact C-N 3.31Å; L282-R284 PolarHBondContact O-N 3.2Å
285H96.2Very high96.7Very high13 Ų1340 Ų406%0.0619%0.191CC..Hα-helixtrans-89.1-19.6-169.1-66-61.6000113.5D232 C247 F249 P250 H281 L289D232-H285 WeakPolarHBondContact CB-NE2 3.27Å; D232-H285 IonicContact OD2-NE2 3.34Å; D232-H285 PolarHBondContact OD2-NE2 3.17Å; C247-H285 PolarHBondContact SG-CD2 2.74Å; F249-H285 AromaticContact CD2-CE1 3.88Å; F249-H285 AromaticContact CE2-CE1 3.65Å; F249-H285 AromaticContact CZ-CE1 3.91Å; P250-H285 HydrophobicContact CG-CB 3.98Å; P250-H285 VanDerWaalsContact CG-O 3.32Å; P250-H285 WeakPolarHBondContact CG-O 3.31Å; H281-H285 AromaticContact ND1-CD2 3.76Å; H281-H285 AromaticContact ND1-NE2 3.69Å; H281-H285 WeakPolarHBondContact O-CB 3.01Å; H281-H285 PolarHBondContact O-CD2 3.17Å; H281-H285 VanDerWaalsContact O-CD2 3.25Å; H281-H285 PolarHBondContact O-N 3.41Å; H285-L289 WeakPolarHBondContact O-CD1 3.37Å; H285-L289 WeakPolarHBondContact O-CG 3.43Å
286T95.7Very high96.7Very high1 Ų138.3 Ų38.31%0.00618%0.183CC..Hα-helixtrans-105.6-13.8-179.176.80000114.1F154 L159 L262 L282 N288 L289F154-T286 HydrophobicContact CE2-CG2 3.97Å; F154-T286 HydrophobicContact CZ-CG2 4.04Å; L159-T286 HydrophobicContact CD2-CG2 4.41Å; L262-T286 HydrophobicContact CD2-CG2 4.11Å; L282-T286 HydrophobicContact CD2-CG2 4.26Å; L282-T286 WeakPolarHBondContact O-CB 3.34Å; L282-T286 WeakPolarHBondContact O-CG2 3.48Å; L282-T286 PolarHBondContact O-N 2.82Å; L282-T286 PolarHBondContact O-OG1 3.44Å; T286-N288 VanDerWaalsContact C-N 3.26Å; T286-N288 PolarHBondContact O-N 3.24Å; T286-N288 VanDerWaalsContact O-N 3.12Å; T286-L289 PolarHBondContact O-N 3.19Å
287N92.7Very high96.8Very high60 Ų6036.7 Ų36.732%0.32118%0.176SC..THydrogen-bonded Turntrans-62-26.2-172.3173.257.8000115.3K160 Q283K160-N287 WeakPolarHBondContact CE-OD1 3.49Å; K160-N287 PolarHBondContact NZ-O 2.74Å; K160-N287 PolarHBondContact NZ-OD1 3.04Å; Q283-N287 WeakPolarHBondContact O-CB 3.47Å
288N93.8Very high96.9Very high138 Ų13836.7 Ų36.774%0.73818%0.175SC*.THydrogen-bonded Turntrans-104.5-1.9178.2-65.6-33.3000113.5T286T286-N288 VanDerWaalsContact C-N 3.26Å; T286-N288 PolarHBondContact O-N 3.24Å; T286-N288 VanDerWaalsContact O-N 3.12Å
289L96.4Very high96.9Very high30 Ų3036.8 Ų36.816%0.15718%0.176CC..  trans-78154.6178.4-59.5-176.8000111.1A156 P250 Y260 H285 T286 V293A156-L289 HydrophobicContact CB-CB 3.73Å; P250-L289 HydrophobicContact CB-CD1 3.83Å; P250-L289 HydrophobicContact CB-CD2 4.33Å; P250-L289 HydrophobicContact CG-CD1 3.84Å; P250-L289 HydrophobicContact CG-CD2 4.48Å; Y260-L289 HydrophobicContact CD1-CD1 4.44Å; Y260-L289 HydrophobicContact CD1-CD2 3.93Å; Y260-L289 HydrophobicContact CD2-CD1 4.37Å; Y260-L289 HydrophobicContact CE1-CD2 3.8Å; Y260-L289 HydrophobicContact CE2-CD2 4.49Å; Y260-L289 HydrophobicContact CG-CD1 4.1Å; Y260-L289 HydrophobicContact CG-CD2 4.32Å; H285-L289 WeakPolarHBondContact O-CD1 3.37Å; H285-L289 WeakPolarHBondContact O-CG 3.43Å; T286-L289 PolarHBondContact O-N 3.19Å; L289-V293 HydrophobicContact CD1-CG2 3.9Å
290K97Very high96.9Very high158 Ų15838.3 Ų38.369%0.68718%0.182SC*.  trans-135.1123.5171-64.9-177-178.6179.60108.5E157 Y260E157-K290 WeakPolarHBondContact OE1-CA 3.32Å; E157-K290 WeakPolarHBondContact OE1-CB 3.21Å; Y260-K290 WeakPolarHBondContact CE2-O 3.38Å
291G97.5Very high96.9Very high2 Ų238.6 Ų38.62%0.02118%0.184CC..SBendtrans117.9-159.2-175.900000113.4A156 E157 D258A156-G291 PolarHBondContact N-O 3.45Å; E157-G291 PolarHBondContact OE1-N 2.77Å; E157-G291 PolarHBondContact OE2-N 3.19Å; E157-G291 VanDerWaalsContact OE2-N 3.1Å; D258-G291 WeakPolarHBondContact O-CA 3.38Å
292H98.2Very high96.9Very high60 Ų6041.1 Ų41.128%0.27821%0.21SC..EExtended strand (participates in β ladder)trans-90.9141.1-173.3-66.9-78.7000111.4D258 W259 Y260D258-H292 PolarHBondContact O-N 3.5Å; D258-H292 IonicContact OD2-CD2 3.11Å; D258-H292 PolarHBondContact OD2-CD2 2.9Å; W259-H292 CarbonylContact C-O 3.53Å; W259-H292 WeakPolarHBondContact CA-O 3.49Å; W259-H292 HydrophobicContact CD2-CB 3.36Å; W259-H292 VanDerWaalsContact CE2-CB 3.41Å; W259-H292 AromaticContact CE2-CD2 3.96Å; W259-H292 AromaticContact CE2-CG 3.72Å; W259-H292 HydrophobicContact CE3-CB 3.47Å; W259-H292 VanDerWaalsContact CE3-CB 3.47Å; W259-H292 HydrophobicContact CG-CB 4Å; W259-H292 HydrophobicContact CH2-CB 3.75Å; W259-H292 HydrophobicContact CZ2-CB 3.62Å; W259-H292 AromaticContact CZ2-CG 3.65Å; W259-H292 HydrophobicContact CZ3-CB 3.67Å; W259-H292 AromaticContact NE1-CD2 3.87Å; Y260-H292 PolarHBondContact N-O 3.25Å
293V98.4Very high96.9Very high0 Ų041.8 Ų41.80%021%0.213CC..EExtended strand (participates in β ladder)trans-124.7130.5178.4-175.90000109R153 F154 A156 Y260 L262 L289R153-V293 VanDerWaalsContact CA-O 3.27Å; R153-V293 WeakPolarHBondContact CA-O 3.34Å; F154-V293 HydrophobicContact CD2-CB 3.96Å; F154-V293 HydrophobicContact CD2-CG2 4.33Å; F154-V293 HydrophobicContact CE1-CB 4.5Å; F154-V293 HydrophobicContact CE1-CG1 4.42Å; F154-V293 HydrophobicContact CE2-CB 3.43Å; F154-V293 VanDerWaalsContact CE2-CB 3.43Å; F154-V293 HydrophobicContact CE2-CG1 3.81Å; F154-V293 HydrophobicContact CE2-CG2 3.77Å; F154-V293 HydrophobicContact CZ-CB 3.74Å; F154-V293 HydrophobicContact CZ-CG1 3.62Å; F154-V293 HydrophobicContact CZ-CG2 4.44Å; F154-V293 PolarHBondContact N-O 3.38Å; F154-V293 VanDerWaalsContact N-O 3.11Å; F154-V293 PolarHBondContact O-N 2.97Å; A156-V293 HydrophobicContact CB-CG2 4.07Å; Y260-V293 CarbonylContact O-C 3.6Å; Y260-V293 WeakPolarHBondContact O-CA 3.32Å; L262-V293 HydrophobicContact CD2-CG1 3.67Å; L262-V293 HydrophobicContact CG-CG1 4.4Å; L289-V293 HydrophobicContact CD1-CG2 3.9Å
294M98Very high97.1Very high11 Ų1138 Ų385%0.05420%0.195CC..EExtended strand (participates in β ladder)trans-98.6115.9164.9-167.465.974.200107.9L45 L151 R153 W259 Y260 Y261 L262 V320L45-M294 HydrophobicContact CD1-CE 4.14Å; L45-M294 HydrophobicContact CD1-CG 4.29Å; L45-M294 HydrophobicContact CD2-CB 4.3Å; L45-M294 HydrophobicContact CD2-CE 3.92Å; L45-M294 HydrophobicContact CD2-CG 4.06Å; L151-M294 HydrophobicContact CD1-CG 3.58Å; L151-M294 HydrophobicContact CD1-SD 3.63Å; L151-M294 HydrophobicContact CD2-CG 4.21Å; L151-M294 HydrophobicContact CD2-SD 3.62Å; L151-M294 HydrophobicContact CG-CG 4.2Å; L151-M294 HydrophobicContact CG-SD 3.58Å; L151-M294 VanDerWaalsContact CG-SD 3.58Å; R153-M294 HydrophobicContact CB-CE 4.36Å; R153-M294 HydrophobicContact CB-SD 4.1Å; W259-M294 HydrophobicContact CZ3-CE 4.03Å; Y260-M294 PolarHBondContact O-N 3.31Å; Y261-M294 VanDerWaalsContact CA-O 3.3Å; Y261-M294 WeakPolarHBondContact CA-O 3.48Å; Y261-M294 HydrophobicContact CD2-CB 3.53Å; Y261-M294 HydrophobicContact CD2-CG 3.61Å; Y261-M294 HydrophobicContact CE2-CB 3.85Å; Y261-M294 HydrophobicContact CE2-CG 3.36Å; Y261-M294 HydrophobicContact CG-CB 4.3Å; L262-M294 PolarHBondContact N-O 2.94Å; M294-V320 HydrophobicContact CE-CG1 4.4Å; M294-V320 HydrophobicContact CE-CG2 4.33Å; M294-V320 HydrophobicContact SD-CB 4.5Å; M294-V320 HydrophobicContact SD-CG1 4.4Å; M294-V320 HydrophobicContact SD-CG2 3.78Å
295C98.4Very high97.3Very high0 Ų038.5 Ų38.50%020%0.197CC..EExtended strand (participates in β ladder)trans-115112.9-178.8179.40000108.8V152 F154 L262V152-C295 HydrophobicContact CG2-CB 3.88Å; V152-C295 PolarHBondContact N-O 3.01Å; V152-C295 PolarHBondContact O-N 3.47Å; F154-C295 HydrophobicContact CE1-CB 3.7Å; F154-C295 HydrophobicContact CZ-CB 4.15Å; L262-C295 HydrophobicContact CD1-CB 4.36Å; L262-C295 HydrophobicContact CG-CB 4.39Å; L262-C295 WeakPolarHBondContact O-CA 3.24Å
296Q98.3Very high97.4Very high5 Ų539.8 Ų39.82%0.02321%0.206CC..EExtended strand (participates in β ladder)trans-100.9131.9175.3-176171.42400109.6I149 L150 L151 Y261 L262 N263 I264 F298I149-Q296 HydrophobicContact CG2-CG 4.01Å; L150-Q296 CarbonylContact O-C 3.6Å; L150-Q296 WeakPolarHBondContact O-CA 3.47Å; L151-Q296 HydrophobicContact CD1-CB 3.64Å; L151-Q296 HydrophobicContact CD1-CG 4.25Å; Y261-Q296 HydrophobicContact CE1-CB 4.08Å; Y261-Q296 WeakPolarHBondContact OH-CB 3.3Å; Y261-Q296 PolarHBondContact OH-OE1 2.8Å; L262-Q296 PolarHBondContact O-N 2.86Å; N263-Q296 CarbonylContact C-O 3.55Å; N263-Q296 VanDerWaalsContact CA-O 3.31Å; N263-Q296 WeakPolarHBondContact CA-O 3.48Å; N263-Q296 VanDerWaalsContact OD1-CB 3.29Å; N263-Q296 WeakPolarHBondContact OD1-CB 3.13Å; N263-Q296 PolarHBondContact OD1-OE1 3.17Å; I264-Q296 PolarHBondContact N-O 3.13Å; Q296-F298 HydrophobicContact CG-CE1 4.36Å; Q296-F298 HydrophobicContact CG-CE2 3.88Å; Q296-F298 HydrophobicContact CG-CZ 3.73Å
297I98.6Very high97.5Very high0 Ų039.7 Ų39.70%021%0.206CC..EExtended strand (participates in β ladder)trans-121128.8-176.3-48.1162.1000107.2L150 I264 M266 F278 L299L150-I297 HydrophobicContact CB-CB 4.26Å; L150-I297 HydrophobicContact CD2-CD1 3.95Å; L150-I297 HydrophobicContact CG-CD1 4.17Å; L150-I297 PolarHBondContact N-O 2.93Å; L150-I297 PolarHBondContact O-N 3.48Å; I264-I297 HydrophobicContact CB-CG2 4.48Å; I264-I297 CarbonylContact O-C 3.59Å; I264-I297 VanDerWaalsContact O-CA 3.3Å; I264-I297 WeakPolarHBondContact O-CA 3.33Å; M266-I297 HydrophobicContact CG-CG2 4Å; M266-I297 HydrophobicContact SD-CG2 3.44Å; M266-I297 WeakPolarHBondContact SD-CG2 3.37Å; F278-I297 HydrophobicContact CD2-CD1 4.04Å; F278-I297 HydrophobicContact CE1-CD1 4.05Å; F278-I297 HydrophobicContact CE2-CD1 3.43Å; F278-I297 VanDerWaalsContact CE2-CD1 3.43Å; F278-I297 HydrophobicContact CE2-CG1 4.02Å; F278-I297 HydrophobicContact CZ-CD1 3.42Å; F278-I297 VanDerWaalsContact CZ-CD1 3.42Å; F278-I297 HydrophobicContact CZ-CG1 4.45Å; I297-L299 HydrophobicContact CB-CD2 3.99Å; I297-L299 HydrophobicContact CG2-CD2 3.57Å
298F98.6Very high97.8Very high0 Ų037 Ų370%019%0.191CC..EExtended strand (participates in β ladder)trans-105126.6171.1-56.1-87.4000107.9Q147 G148 I149 W213 N263 I264 D265 M266 Q296 Q326Q147-F298 HydrophobicContact CB-CB 4.31Å; G148-F298 WeakPolarHBondContact O-CA 3.34Å; I149-F298 HydrophobicContact CD1-CE1 4.11Å; I149-F298 HydrophobicContact CG1-CD1 3.86Å; I149-F298 HydrophobicContact CG1-CE1 3.79Å; W213-F298 HydrophobicContact CD2-CE1 4.37Å; W213-F298 HydrophobicContact CD2-CZ 4.18Å; W213-F298 AromaticContact CE2-CE1 3.94Å; W213-F298 AromaticContact CE2-CZ 3.56Å; W213-F298 HydrophobicContact CG-CZ 4.49Å; W213-F298 HydrophobicContact CH2-CE1 4.31Å; W213-F298 AromaticContact CZ2-CE1 3.94Å; W213-F298 HydrophobicContact CZ2-CE1 3.94Å; W213-F298 AromaticContact CZ2-CZ 3.86Å; W213-F298 HydrophobicContact CZ2-CZ 3.86Å; W213-F298 AromaticContact NE1-CZ 3.49Å; N263-F298 HydrophobicContact CB-CE2 4.25Å; I264-F298 PolarHBondContact O-N 2.95Å; D265-F298 WeakPolarHBondContact OD1-CD2 3.11Å; M266-F298 WeakPolarHBondContact CA-O 3.27Å; M266-F298 WeakPolarHBondContact CB-O 3.23Å; M266-F298 PolarHBondContact N-O 3.34Å; Q296-F298 HydrophobicContact CG-CE1 4.36Å; Q296-F298 HydrophobicContact CG-CE2 3.88Å; Q296-F298 HydrophobicContact CG-CZ 3.73Å; F298-Q326 HydrophobicContact CD1-CB 3.95Å; F298-Q326 VanDerWaalsContact CD1-CD 3.5Å; F298-Q326 HydrophobicContact CD1-CG 4.29Å; F298-Q326 HydrophobicContact CE1-CB 4.12Å; F298-Q326 HydrophobicContact CE1-CG 4.23Å
299L98.4Very high98Very high2 Ų233 Ų331%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-148.5173-175.255.9137.4000111.8Q147 G148 L150 M266 I297 L303 W304 M307Q147-L299 CarbonylContact C-O 3.51Å; Q147-L299 WeakPolarHBondContact CA-O 3.47Å; Q147-L299 WeakPolarHBondContact CB-O 3.5Å; G148-L299 PolarHBondContact N-O 3.24Å; G148-L299 PolarHBondContact O-N 2.89Å; L150-L299 HydrophobicContact CB-CD2 3.95Å; M266-L299 HydrophobicContact CB-CB 4.3Å; I297-L299 HydrophobicContact CB-CD2 3.99Å; I297-L299 HydrophobicContact CG2-CD2 3.57Å; L299-L303 HydrophobicContact CD1-CB 3.4Å; L299-L303 VanDerWaalsContact CD1-CB 3.4Å; L299-L303 WeakPolarHBondContact CD1-O 3.23Å; L299-W304 HydrophobicContact CD1-CB 4.45Å; L299-M307 HydrophobicContact CD1-CB 4.13Å
300E97.5Very high98.1Very high62 Ų6232.6 Ų32.629%0.2917%0.167SC..  trans-58.3132.3172.1-167.4-78.7155.900110.2K269 G302 L303K269-E300 HydrophobicContact CG-CG 4.18Å; E300-G302 VanDerWaalsContact C-N 3.33Å; E300-G302 VanDerWaalsContact CD-N 3.29Å; E300-G302 PolarHBondContact O-N 2.93Å; E300-G302 PolarHBondContact OE1-N 2.9Å; E300-G302 WeakPolarHBondContact OE2-CA 3.44Å; E300-G302 PolarHBondContact OE2-N 3.11Å; E300-L303 HydrophobicContact CB-CD1 4.26Å; E300-L303 HydrophobicContact CB-CG 4.24Å; E300-L303 WeakPolarHBondContact O-CB 3.43Å; E300-L303 PolarHBondContact O-N 2.93Å; E300-L303 PolarHBondContact OE2-N 2.87Å
301P97Very high98.2Very high42 Ų4225.1 Ų25.127%0.27314%0.135SC..G310 helixtrans-49.6-43.6-175.2-36.440.4000116.3L303 W304 Y323P301-L303 PolarHBondContact O-N 2.79Å; P301-W304 WeakPolarHBondContact O-CB 3.3Å; P301-W304 PolarHBondContact O-N 2.96Å; P301-W304 VanDerWaalsContact O-N 3.17Å; P301-Y323 WeakPolarHBondContact CB-OH 3.38Å
302G97.7Very high98.2Very high53 Ų5328.6 Ų28.655%0.54615%0.151SC..G310 helixtrans-66.1-21.8177.700000114.1E300 W304E300-G302 VanDerWaalsContact C-N 3.33Å; E300-G302 VanDerWaalsContact CD-N 3.29Å; E300-G302 PolarHBondContact O-N 2.93Å; E300-G302 PolarHBondContact OE1-N 2.9Å; E300-G302 WeakPolarHBondContact OE2-CA 3.44Å; E300-G302 PolarHBondContact OE2-N 3.11Å; G302-W304 VanDerWaalsContact C-N 3.34Å
303L98.3Very high98.1Very high15 Ų1531.6 Ų31.68%0.07917%0.169CC..G310 helixtrans-80.5-10.9174-64.8-174000113.7L271 A274 L299 E300 P301 R305 P306 M307L271-L303 HydrophobicContact CB-CD2 3.87Å; L271-L303 HydrophobicContact CD1-CD2 4.23Å; A274-L303 HydrophobicContact CB-CD1 4.33Å; L299-L303 HydrophobicContact CD1-CB 3.4Å; L299-L303 VanDerWaalsContact CD1-CB 3.4Å; L299-L303 WeakPolarHBondContact CD1-O 3.23Å; E300-L303 HydrophobicContact CB-CD1 4.26Å; E300-L303 HydrophobicContact CB-CG 4.24Å; E300-L303 WeakPolarHBondContact O-CB 3.43Å; E300-L303 PolarHBondContact O-N 2.93Å; E300-L303 PolarHBondContact OE2-N 2.87Å; P301-L303 PolarHBondContact O-N 2.79Å; L303-R305 PolarHBondContact O-N 3.1Å; L303-P306 WeakPolarHBondContact O-CD 3.3Å; L303-P306 WeakPolarHBondContact O-CG 3.38Å; L303-M307 VanDerWaalsContact O-CB 3.23Å; L303-M307 WeakPolarHBondContact O-CB 3.31Å; L303-M307 PolarHBondContact O-N 2.98Å
304W98.5Very high98Very high14 Ų1433.9 Ų33.95%0.05318%0.183CC..Hα-helixtrans-59.9-52.4-174.2-174.896.1000112.8I149 L299 P301 G302 M307 T308 L319 Y323I149-W304 PolarHBondContact O-NE1 2.99Å; L299-W304 HydrophobicContact CD1-CB 4.45Å; P301-W304 WeakPolarHBondContact O-CB 3.3Å; P301-W304 PolarHBondContact O-N 2.96Å; P301-W304 VanDerWaalsContact O-N 3.17Å; G302-W304 VanDerWaalsContact C-N 3.34Å; W304-M307 PolarHBondContact O-N 3.23Å; W304-T308 HydrophobicContact CH2-CG2 4.31Å; W304-T308 WeakPolarHBondContact O-CB 3.3Å; W304-T308 PolarHBondContact O-N 3.24Å; W304-T308 PolarHBondContact O-OG1 3.4Å; W304-L319 HydrophobicContact CH2-CD2 4.39Å; W304-L319 HydrophobicContact CZ2-CD1 4.4Å; W304-Y323 HydrophobicContact CB-CD2 3.83Å; W304-Y323 HydrophobicContact CB-CE2 3.81Å; W304-Y323 AromaticContact CD1-CD2 3.56Å; W304-Y323 AromaticContact CD2-CD2 3.55Å; W304-Y323 HydrophobicContact CD2-CD2 3.55Å; W304-Y323 HydrophobicContact CD2-CE2 4.44Å; W304-Y323 HydrophobicContact CD2-CG 4.33Å; W304-Y323 AromaticContact CE2-CD2 3.87Å; W304-Y323 HydrophobicContact CE3-CD2 4.13Å; W304-Y323 AromaticContact CG-CD2 3.37Å; W304-Y323 HydrophobicContact CG-CD2 3.37Å; W304-Y323 AromaticContact CG-CE2 3.83Å; W304-Y323 HydrophobicContact CG-CE2 3.83Å; W304-Y323 VanDerWaalsContact CZ2-N 3.31Å; W304-Y323 AromaticContact NE1-CD2 3.81Å
305R98.4Very high97.9Very high142 Ų14233.5 Ų33.554%0.53618%0.181SC..Hα-helixtrans-59.7-53.5-178.3-174.873.2-154-1729112.3L303 M307 T308 D309L303-R305 PolarHBondContact O-N 3.1Å; R305-M307 VanDerWaalsContact C-N 3.3Å; R305-M307 PolarHBondContact O-N 2.94Å; R305-T308 WeakPolarHBondContact O-CB 3.44Å; R305-T308 PolarHBondContact O-N 3.39Å; R305-D309 IonicContact CZ-OD1 3.39Å; R305-D309 IonicContact NE-OD1 3.12Å; R305-D309 PolarHBondContact NE-OD1 3.37Å; R305-D309 IonicContact NE-OD2 3.66Å; R305-D309 IonicContact NH2-OD1 3.4Å; R305-D309 PolarHBondContact NH2-OD1 2.92Å; R305-D309 VanDerWaalsContact NH2-OD1 3.12Å; R305-D309 PolarHBondContact O-N 3.21Å
306P98.4Very high97.9Very high40 Ų4040 Ų4026%0.2622%0.215SC..Hα-helixtrans-65.7-30.1179.124-33.5000113.5L271 L303 F310L271-P306 HydrophobicContact CD1-CB 3.89Å; L271-P306 HydrophobicContact CD1-CG 4.02Å; L271-P306 HydrophobicContact CD2-CB 3.56Å; L271-P306 HydrophobicContact CD2-CG 4.13Å; L271-P306 HydrophobicContact CG-CB 4.37Å; L303-P306 WeakPolarHBondContact O-CD 3.3Å; L303-P306 WeakPolarHBondContact O-CG 3.38Å; P306-F310 WeakPolarHBondContact O-CB 3.17Å; P306-F310 PolarHBondContact O-N 3.12Å
307M98.5Very high97.8Very high0 Ų040.1 Ų40.10%022%0.216CC..Hα-helixtrans-69.8-39.6173.5-170.961.977.100111.8L150 M266 A274 Q275 F278 L299 L303 W304 R305 F310 C311L150-M307 HydrophobicContact CD2-CB 3.97Å; L150-M307 HydrophobicContact CD2-CG 3.51Å; M266-M307 HydrophobicContact CE-CE 4.25Å; M266-M307 HydrophobicContact SD-CE 4.38Å; A274-M307 HydrophobicContact CB-CE 3.98Å; Q275-M307 HydrophobicContact CG-CE 4.04Å; Q275-M307 HydrophobicContact CG-SD 4.16Å; F278-M307 HydrophobicContact CD1-SD 3.94Å; F278-M307 HydrophobicContact CE1-SD 4.43Å; L299-M307 HydrophobicContact CD1-CB 4.13Å; L303-M307 VanDerWaalsContact O-CB 3.23Å; L303-M307 WeakPolarHBondContact O-CB 3.31Å; L303-M307 PolarHBondContact O-N 2.98Å; W304-M307 PolarHBondContact O-N 3.23Å; R305-M307 VanDerWaalsContact C-N 3.3Å; R305-M307 PolarHBondContact O-N 2.94Å; M307-F310 WeakPolarHBondContact O-CB 3.27Å; M307-F310 PolarHBondContact O-N 3.44Å; M307-F310 HydrophobicContact SD-CD1 4.02Å; M307-C311 PolarHBondContact O-N 2.96Å; M307-C311 PolarHBondContact O-SG 3.4Å; M307-C311 VanDerWaalsContact O-SG 3.34Å
308T98.4Very high97.8Very high2 Ų244 Ų441%0.01224%0.238CC..Hα-helixtrans-59.3-47.4172.1-63.60000111.2L150 W304 R305 F310 C311 Q312 L319L150-T308 WeakPolarHBondContact CD1-OG1 2.97Å; W304-T308 HydrophobicContact CH2-CG2 4.31Å; W304-T308 WeakPolarHBondContact O-CB 3.3Å; W304-T308 PolarHBondContact O-N 3.24Å; W304-T308 PolarHBondContact O-OG1 3.4Å; R305-T308 WeakPolarHBondContact O-CB 3.44Å; R305-T308 PolarHBondContact O-N 3.39Å; T308-F310 VanDerWaalsContact C-N 3.27Å; T308-F310 PolarHBondContact O-N 2.94Å; T308-C311 WeakPolarHBondContact O-CB 3.49Å; T308-C311 PolarHBondContact O-N 3.03Å; T308-Q312 WeakPolarHBondContact O-CG 3.45Å; T308-Q312 PolarHBondContact O-N 2.85Å; T308-L319 HydrophobicContact CG2-CD1 4.17Å; T308-L319 HydrophobicContact CG2-CD2 3.94Å
309D98.3Very high97.8Very high54 Ų5445.9 Ų45.929%0.28925%0.247SC..Hα-helixtrans-62.7-36.3178.1-64.8-28.5000111R305 N313R305-D309 IonicContact CZ-OD1 3.39Å; R305-D309 IonicContact NE-OD1 3.12Å; R305-D309 PolarHBondContact NE-OD1 3.37Å; R305-D309 IonicContact NE-OD2 3.66Å; R305-D309 IonicContact NH2-OD1 3.4Å; R305-D309 PolarHBondContact NH2-OD1 2.92Å; R305-D309 VanDerWaalsContact NH2-OD1 3.12Å; R305-D309 PolarHBondContact O-N 3.21Å; D309-N313 WeakPolarHBondContact O-CB 3.24Å; D309-N313 VanDerWaalsContact O-CG 3.31Å; D309-N313 PolarHBondContact O-N 2.85Å; D309-N313 PolarHBondContact O-ND2 3.18Å
310F98.2Very high97.7Very high23 Ų2348.4 Ų48.410%0.10126%0.262CS..Hα-helixtrans-64.5-47.9172.8176.6-102.2000112.3Q275 F278 L279 P306 M307 T308 Q312 T314 L315Q275-F310 HydrophobicContact CB-CE1 4.38Å; Q275-F310 HydrophobicContact CB-CE2 4.5Å; Q275-F310 HydrophobicContact CB-CZ 4.3Å; Q275-F310 HydrophobicContact CG-CD1 4.02Å; Q275-F310 HydrophobicContact CG-CD2 4.13Å; Q275-F310 HydrophobicContact CG-CE1 4.21Å; Q275-F310 HydrophobicContact CG-CE2 4.31Å; Q275-F310 HydrophobicContact CG-CG 3.97Å; Q275-F310 HydrophobicContact CG-CZ 4.36Å; F278-F310 HydrophobicContact CD1-CD1 4.35Å; F278-F310 HydrophobicContact CD1-CE1 4.08Å; F278-F310 HydrophobicContact CE1-CE1 4.43Å; L279-F310 HydrophobicContact CD1-CZ 4.06Å; L279-F310 HydrophobicContact CD2-CE1 4.31Å; L279-F310 HydrophobicContact CD2-CZ 4.01Å; L279-F310 HydrophobicContact CG-CE1 4.39Å; L279-F310 HydrophobicContact CG-CZ 4.05Å; P306-F310 WeakPolarHBondContact O-CB 3.17Å; P306-F310 PolarHBondContact O-N 3.12Å; M307-F310 WeakPolarHBondContact O-CB 3.27Å; M307-F310 PolarHBondContact O-N 3.44Å; M307-F310 HydrophobicContact SD-CD1 4.02Å; T308-F310 VanDerWaalsContact C-N 3.27Å; T308-F310 PolarHBondContact O-N 2.94Å; F310-Q312 PolarHBondContact O-N 2.84Å; F310-T314 HydrophobicContact CD2-CG2 4.11Å; F310-T314 HydrophobicContact CE2-CG2 3.62Å; F310-T314 HydrophobicContact CZ-CG2 4.21Å; F310-T314 WeakPolarHBondContact O-CA 3.36Å; F310-T314 WeakPolarHBondContact O-CB 3.46Å; F310-T314 PolarHBondContact O-N 2.71Å; F310-L315 HydrophobicContact CD1-CD1 4.29Å; F310-L315 HydrophobicContact CD1-CG 4.37Å; F310-L315 HydrophobicContact CE1-CD1 3.87Å; F310-L315 HydrophobicContact CE1-CD2 4.27Å; F310-L315 HydrophobicContact CE1-CG 3.9Å; F310-L315 HydrophobicContact CZ-CD2 4.36Å; F310-L315 HydrophobicContact CZ-CG 4.37Å; F310-L315 PolarHBondContact O-N 3.28Å
311C98.3Very high97.5Very high1 Ų149.4 Ų49.41%0.00727%0.266CS..Iπ-helixtrans-56.9-48.6177-74.50000112V152 F278 M307 T308 L315 N316 V317V152-C311 HydrophobicContact CG1-CB 4.07Å; F278-C311 VanDerWaalsContact CE1-SG 3.59Å; M307-C311 PolarHBondContact O-N 2.96Å; M307-C311 PolarHBondContact O-SG 3.4Å; M307-C311 VanDerWaalsContact O-SG 3.34Å; T308-C311 WeakPolarHBondContact O-CB 3.49Å; T308-C311 PolarHBondContact O-N 3.03Å; C311-L315 CarbonylContact O-C 3.47Å; C311-L315 WeakPolarHBondContact O-CA 3.16Å; C311-L315 WeakPolarHBondContact O-CB 3.5Å; C311-L315 PolarHBondContact O-N 2.92Å; C311-N316 PolarHBondContact O-N 3.17Å; C311-V317 HydrophobicContact CB-CG2 3.69Å; C311-V317 PolarHBondContact O-N 3.04Å
312Q97.5Very high97.4Very high75 Ų7553.9 Ų53.935%0.3528%0.283SS..Iπ-helixtrans-73.4-48-176.6-67.3-179.7-50.100112.1T308 F310 N316T308-Q312 WeakPolarHBondContact O-CG 3.45Å; T308-Q312 PolarHBondContact O-N 2.85Å; F310-Q312 PolarHBondContact O-N 2.84Å; Q312-N316 WeakPolarHBondContact O-CA 3.33Å; Q312-N316 PolarHBondContact O-N 3.44Å
313N96.7Very high97.4Very high123 Ų12355.6 Ų55.666%0.65827%0.274SS*.Iπ-helixtrans-87.9-29.4-170.4-58-49.2000113.2D309D309-N313 WeakPolarHBondContact O-CB 3.24Å; D309-N313 VanDerWaalsContact O-CG 3.31Å; D309-N313 PolarHBondContact O-N 2.85Å; D309-N313 PolarHBondContact O-ND2 3.18Å
314T95.9Very high97.3Very high48 Ų4857 Ų5729%0.29428%0.283SS..Iπ-helixtrans-100.1-49.3-178.4-51.30000111.4R162 I166 F310R162-T314 VanDerWaalsContact CZ-O 3.25Å; R162-T314 PolarHBondContact NE-O 2.86Å; R162-T314 PolarHBondContact NH2-O 3.43Å; I166-T314 HydrophobicContact CD1-CG2 4.45Å; I166-T314 HydrophobicContact CG2-CG2 4.42Å; F310-T314 HydrophobicContact CD2-CG2 4.11Å; F310-T314 HydrophobicContact CE2-CG2 3.62Å; F310-T314 HydrophobicContact CZ-CG2 4.21Å; F310-T314 WeakPolarHBondContact O-CA 3.36Å; F310-T314 WeakPolarHBondContact O-CB 3.46Å; F310-T314 PolarHBondContact O-N 2.71Å
315L96.9Very high97.1Very high3 Ų359.1 Ų59.12%0.01629%0.294CS..Iπ-helixtrans-85.9-14.5-178.1-58.7-179.5000113.9L159 L163 I166 F278 L279 L282 F310 C311 V317L159-L315 HydrophobicContact CD1-CB 4.47Å; L159-L315 HydrophobicContact CD1-CD2 4.5Å; L163-L315 HydrophobicContact CD2-CD2 4.19Å; I166-L315 HydrophobicContact CD1-CD2 3.37Å; F278-L315 HydrophobicContact CD1-CD1 4.19Å; F278-L315 HydrophobicContact CE1-CD1 3.42Å; F278-L315 VanDerWaalsContact CE1-CD1 3.42Å; F278-L315 HydrophobicContact CZ-CD1 4.05Å; L279-L315 HydrophobicContact CD2-CD2 3.73Å; L282-L315 HydrophobicContact CD1-CD1 3.69Å; F310-L315 HydrophobicContact CD1-CD1 4.29Å; F310-L315 HydrophobicContact CD1-CG 4.37Å; F310-L315 HydrophobicContact CE1-CD1 3.87Å; F310-L315 HydrophobicContact CE1-CD2 4.27Å; F310-L315 HydrophobicContact CE1-CG 3.9Å; F310-L315 HydrophobicContact CZ-CD2 4.36Å; F310-L315 HydrophobicContact CZ-CG 4.37Å; F310-L315 PolarHBondContact O-N 3.28Å; C311-L315 CarbonylContact O-C 3.47Å; C311-L315 WeakPolarHBondContact O-CA 3.16Å; C311-L315 WeakPolarHBondContact O-CB 3.5Å; C311-L315 PolarHBondContact O-N 2.92Å; L315-V317 VanDerWaalsContact C-N 3.26Å; L315-V317 HydrophobicContact CB-CG1 3.91Å; L315-V317 HydrophobicContact CB-CG2 4.22Å; L315-V317 PolarHBondContact O-N 3.29Å
316N96.7Very high97.1Very high135 Ų13552.4 Ų52.472%0.72227%0.268SS*.  trans53.444.6-175.2-168.254.6000112.1C311 Q312C311-N316 PolarHBondContact O-N 3.17Å; Q312-N316 WeakPolarHBondContact O-CA 3.33Å; Q312-N316 PolarHBondContact O-N 3.44Å
317V97.6Very high97Very high8 Ų850.7 Ų50.75%0.04826%0.257CS..  trans-108.6151.9176.6-55.70000111.2V152 F154 L159 C311 L315V152-V317 HydrophobicContact CB-CG2 3.91Å; V152-V317 HydrophobicContact CG1-CG2 4.1Å; V152-V317 HydrophobicContact CG2-CG2 4.16Å; F154-V317 HydrophobicContact CB-CB 4.04Å; F154-V317 HydrophobicContact CB-CG1 3.62Å; F154-V317 HydrophobicContact CD1-CB 4.12Å; F154-V317 HydrophobicContact CD1-CG1 3.8Å; F154-V317 HydrophobicContact CG-CG1 3.94Å; L159-V317 HydrophobicContact CD1-CG1 4.1Å; C311-V317 HydrophobicContact CB-CG2 3.69Å; C311-V317 PolarHBondContact O-N 3.04Å; L315-V317 VanDerWaalsContact C-N 3.26Å; L315-V317 HydrophobicContact CB-CG1 3.91Å; L315-V317 HydrophobicContact CB-CG2 4.22Å; L315-V317 PolarHBondContact O-N 3.29Å
318D97.9Very high97Very high83 Ų8350.8 Ų50.844%0.44426%0.258SS..EExtended strand (participates in β ladder)trans-80.8131.2-175.7-77.3-14.5000111V152 R153V152-D318 CarbonylContact C-O 3.49Å; V152-D318 WeakPolarHBondContact CA-O 3.5Å; V152-D318 WeakPolarHBondContact CB-O 3.39Å; R153-D318 HydrophobicContact CG-CB 3.54Å; R153-D318 IonicContact CZ-OD2 2.95Å; R153-D318 PolarHBondContact N-O 3.45Å; R153-D318 IonicContact NE-OD2 3.77Å; R153-D318 PolarHBondContact NE-OD2 3.1Å; R153-D318 IonicContact NH2-OD2 2.93Å; R153-D318 PolarHBondContact NH2-OD2 3.19Å; R153-D318 PolarHBondContact O-N 3.42Å
319L97.9Very high96.9Very high38 Ų3850.7 Ų50.720%0.19926%0.257CS..EExtended strand (participates in β ladder)trans-74.2133164.9-175.968.3000109.7L150 W304 T308 K321L150-L319 HydrophobicContact CD1-CD1 3.31Å; W304-L319 HydrophobicContact CH2-CD2 4.39Å; W304-L319 HydrophobicContact CZ2-CD1 4.4Å; T308-L319 HydrophobicContact CG2-CD1 4.17Å; T308-L319 HydrophobicContact CG2-CD2 3.94Å; L319-K321 VanDerWaalsContact CD1-O 3.3Å; L319-K321 WeakPolarHBondContact CD1-O 3.49Å; L319-K321 VanDerWaalsContact CG-O 3.3Å; L319-K321 WeakPolarHBondContact CG-O 3.19Å
320V96.3Very high96.9Very high55 Ų5549 Ų4933%0.33325%0.248SC..  trans-97.5-32.8-177.3-1780000112.3L151 R153 M294L151-V320 HydrophobicContact CB-CB 4.16Å; L151-V320 HydrophobicContact CD2-CB 3.84Å; L151-V320 HydrophobicContact CD2-CG1 3.68Å; L151-V320 HydrophobicContact CD2-CG2 4.4Å; L151-V320 HydrophobicContact CG-CB 3.83Å; L151-V320 HydrophobicContact CG-CG1 4.23Å; L151-V320 HydrophobicContact CG-CG2 4.11Å; L151-V320 PolarHBondContact O-N 3.41Å; R153-V320 HydrophobicContact CB-CG2 3.73Å; R153-V320 HydrophobicContact CG-CG2 3.72Å; M294-V320 HydrophobicContact CE-CG1 4.4Å; M294-V320 HydrophobicContact CE-CG2 4.33Å; M294-V320 HydrophobicContact SD-CB 4.5Å; M294-V320 HydrophobicContact SD-CG1 4.4Å; M294-V320 HydrophobicContact SD-CG2 3.78Å
321K93.5Very high96.8Very high84 Ų8448.6 Ų48.637%0.36525%0.248SC..SBendtrans-142.3153.5-177.6-36.9-173.5-160.9-179.70110.5L151 L319L151-K321 HydrophobicContact CB-CG 4.26Å; L151-K321 HydrophobicContact CD2-CD 4.19Å; L151-K321 HydrophobicContact CD2-CG 4.13Å; L319-K321 VanDerWaalsContact CD1-O 3.3Å; L319-K321 WeakPolarHBondContact CD1-O 3.49Å; L319-K321 VanDerWaalsContact CG-O 3.3Å; L319-K321 WeakPolarHBondContact CG-O 3.19Å
322E95.8Very high96.6Very high136 Ų13653.7 Ų53.764%0.63628%0.275SS*.  trans-66.9173.9164.5-67.4-57.9137.800111.4T324E322-T324 PolarHBondContact O-N 3.33Å
323Y96.6Very high96.2Very high88 Ų8850.9 Ų50.935%0.34526%0.262SS..  trans-51.7126.4-179.1-179.6-104.2000112.9P301 W304 E325P301-Y323 WeakPolarHBondContact CB-OH 3.38Å; W304-Y323 HydrophobicContact CB-CD2 3.83Å; W304-Y323 HydrophobicContact CB-CE2 3.81Å; W304-Y323 AromaticContact CD1-CD2 3.56Å; W304-Y323 AromaticContact CD2-CD2 3.55Å; W304-Y323 HydrophobicContact CD2-CD2 3.55Å; W304-Y323 HydrophobicContact CD2-CE2 4.44Å; W304-Y323 HydrophobicContact CD2-CG 4.33Å; W304-Y323 AromaticContact CE2-CD2 3.87Å; W304-Y323 HydrophobicContact CE3-CD2 4.13Å; W304-Y323 AromaticContact CG-CD2 3.37Å; W304-Y323 HydrophobicContact CG-CD2 3.37Å; W304-Y323 AromaticContact CG-CE2 3.83Å; W304-Y323 HydrophobicContact CG-CE2 3.83Å; W304-Y323 VanDerWaalsContact CZ2-N 3.31Å; W304-Y323 AromaticContact NE1-CD2 3.81Å; Y323-E325 HydrophobicContact CE1-CG 3.66Å; Y323-E325 VanDerWaalsContact OH-CG 3.28Å; Y323-E325 WeakPolarHBondContact OH-CG 3.48Å; Y323-E325 PolarHBondContact OH-OE1 3.44Å; Y323-E325 VanDerWaalsContact OH-OE1 3.13Å
324T96.1Very high94.8Very high46 Ų4655 Ų5528%0.28228%0.282SS..EExtended strand (participates in β ladder)trans-133.9160.7168.356.30000109.7I149 E322I149-T324 WeakPolarHBondContact CB-O 3.46Å; I149-T324 WeakPolarHBondContact CB-OG1 3.47Å; I149-T324 PolarHBondContact N-O 2.79Å; E322-T324 PolarHBondContact O-N 3.33Å
325E95.8Very high94.7Very high57 Ų5755.3 Ų55.327%0.26628%0.281SS..EExtended strand (participates in β ladder)trans-113143.8179.2-68.4-174.2152.200110.7D130 K146 Q147 Y323D130-E325 VanDerWaalsContact CA-O 3.31Å; D130-E325 WeakPolarHBondContact CA-O 3.35Å; K146-E325 IonicContact NZ-OE2 3.71Å; K146-E325 PolarHBondContact NZ-OE2 3.07Å; Q147-E325 CarbonylContact O-C 3.43Å; Q147-E325 VanDerWaalsContact O-CA 3.31Å; Q147-E325 WeakPolarHBondContact O-CA 3.38Å; Y323-E325 HydrophobicContact CE1-CG 3.66Å; Y323-E325 VanDerWaalsContact OH-CG 3.28Å; Y323-E325 WeakPolarHBondContact OH-CG 3.48Å; Y323-E325 PolarHBondContact OH-OE1 3.44Å; Y323-E325 VanDerWaalsContact OH-OE1 3.13Å
326Q97.1Very high94.6Very high1 Ų158.1 Ų58.11%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-92.6122.9160.5-173.3-17558.100107.7T128 R129 K146 Q147 I149 W213 F298T128-Q326 HydrophobicContact CG2-CG 3.13Å; R129-Q326 CarbonylContact O-C 3.48Å; K146-Q326 CarbonylContact C-O 3.53Å; K146-Q326 WeakPolarHBondContact CA-O 3.34Å; Q147-Q326 HydrophobicContact CB-CB 4.43Å; Q147-Q326 PolarHBondContact N-O 2.64Å; Q147-Q326 PolarHBondContact O-N 3.34Å; I149-Q326 HydrophobicContact CD1-CB 3.89Å; I149-Q326 HydrophobicContact CG1-CB 3.9Å; W213-Q326 HydrophobicContact CE3-CG 3.91Å; W213-Q326 VanDerWaalsContact CE3-NE2 3.28Å; W213-Q326 HydrophobicContact CZ3-CB 4.48Å; W213-Q326 HydrophobicContact CZ3-CG 3.85Å; F298-Q326 HydrophobicContact CD1-CB 3.95Å; F298-Q326 VanDerWaalsContact CD1-CD 3.5Å; F298-Q326 HydrophobicContact CD1-CG 4.29Å; F298-Q326 HydrophobicContact CE1-CB 4.12Å; F298-Q326 HydrophobicContact CE1-CG 4.23Å
327C97.4Very high94.5Very high5 Ų553.8 Ų53.83%0.03427%0.271CS..EExtended strand (participates in β ladder)trans-112.2120.6177.2-65.60000109.8T128 R129 L133 V329T128-C327 WeakPolarHBondContact CA-O 3.17Å; R129-C327 PolarHBondContact N-O 2.93Å; R129-C327 PolarHBondContact O-N 2.95Å; L133-C327 HydrophobicContact CD1-CB 3.97Å; C327-V329 HydrophobicContact CB-CG1 4.32Å
328V97.8Very high94.3Very high1 Ų156.5 Ų56.51%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-87120.8168.3-179.80000108.1R126 T128 I144 T145 I210 P215R126-V328 HydrophobicContact CG-CG1 3.96Å; T128-V328 HydrophobicContact CG2-CG2 4.29Å; I144-V328 HydrophobicContact CB-CB 4.18Å; I144-V328 HydrophobicContact CB-CG1 3.85Å; I144-V328 HydrophobicContact CG1-CG1 4.12Å; I144-V328 HydrophobicContact CG2-CG1 4.33Å; I144-V328 PolarHBondContact N-O 3.03Å; T145-V328 HydrophobicContact CG2-CB 4.2Å; T145-V328 HydrophobicContact CG2-CG2 4.14Å; T145-V328 PolarHBondContact O-N 3.2Å; I210-V328 HydrophobicContact CD1-CG2 3.5Å; I210-V328 VanDerWaalsContact CD1-CG2 3.5Å; I210-V328 HydrophobicContact CG1-CG2 3.96Å; P215-V328 HydrophobicContact CB-CG1 3.7Å; P215-V328 HydrophobicContact CB-CG2 4.07Å; P215-V328 HydrophobicContact CG-CG1 3.78Å; P215-V328 HydrophobicContact CG-CG2 4.46Å
329V97.4Very high94.1Very high1 Ų154.8 Ų54.81%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-124.8149.2-177.1-61.60000110.9R126 L127 R129 L133 Y141 R142 I143 C327R126-V329 WeakPolarHBondContact CA-O 3.26Å; R126-V329 WeakPolarHBondContact CG-O 3.34Å; L127-V329 HydrophobicContact CD1-CG2 4.47Å; L127-V329 HydrophobicContact CD2-CG2 3.76Å; L127-V329 HydrophobicContact CG-CG2 3.68Å; L127-V329 PolarHBondContact N-O 3.31Å; L127-V329 WeakPolarHBondContact O-CG2 3.47Å; L127-V329 PolarHBondContact O-N 3.18Å; R129-V329 HydrophobicContact CG-CG2 4.39Å; L133-V329 HydrophobicContact CD1-CG1 3.83Å; Y141-V329 HydrophobicContact CD1-CB 4.45Å; Y141-V329 HydrophobicContact CD1-CG2 4.21Å; Y141-V329 HydrophobicContact CD2-CG2 4.44Å; Y141-V329 HydrophobicContact CG-CB 4.16Å; Y141-V329 HydrophobicContact CG-CG2 4.13Å; R142-V329 CarbonylContact O-C 3.53Å; R142-V329 WeakPolarHBondContact O-CA 3.45Å; I143-V329 HydrophobicContact CG1-CG1 4.29Å; C327-V329 HydrophobicContact CB-CG1 4.32Å
330E96.9Very high93.9Very high18 Ų1855.9 Ų55.98%0.08428%0.28CS..EExtended strand (participates in β ladder)trans-138.5145.2-176.9-170.2175.283.400110.3V124 T125 R126 Y141 R142 I144V124-E330 HydrophobicContact CB-CG 3.72Å; V124-E330 HydrophobicContact CG1-CG 4.31Å; V124-E330 HydrophobicContact CG2-CG 3.94Å; V124-E330 WeakPolarHBondContact CG2-OE2 3.35Å; T125-E330 CarbonylContact O-C 3.51Å; T125-E330 VanDerWaalsContact O-CA 3.26Å; T125-E330 WeakPolarHBondContact O-CA 3.38Å; R126-E330 IonicContact CZ-OE2 3.56Å; R126-E330 VanDerWaalsContact CZ-OE2 3.31Å; R126-E330 IonicContact NE-OE2 2.73Å; R126-E330 PolarHBondContact NE-OE2 2.99Å; R126-E330 IonicContact NH2-OE2 2.68Å; R126-E330 PolarHBondContact NH2-OE2 3.17Å; Y141-E330 CarbonylContact C-O 3.54Å; Y141-E330 VanDerWaalsContact CA-O 3.25Å; Y141-E330 WeakPolarHBondContact CA-O 3.46Å; R142-E330 HydrophobicContact CG-CB 4.01Å; R142-E330 VanDerWaalsContact CG-O 3.24Å; R142-E330 WeakPolarHBondContact CG-O 3.44Å; R142-E330 IonicContact CZ-OE1 2.67Å; R142-E330 PolarHBondContact N-O 2.76Å; R142-E330 IonicContact NE-OE1 3.22Å; R142-E330 PolarHBondContact NE-OE1 2.92Å; R142-E330 IonicContact NH2-OE1 3.75Å; R142-E330 PolarHBondContact NH2-OE1 2.91Å; R142-E330 PolarHBondContact O-N 3.36Å; I144-E330 HydrophobicContact CD1-CB 3.81Å; I144-E330 HydrophobicContact CG1-CB 3.84Å
331S96.4Very high93.7Very high14 Ų1456 Ų5610%0.09828%0.276CS..EExtended strand (participates in β ladder)trans-135.9153.2171600000109.7V124 T125 K140V124-S331 CarbonylContact C-O 3.46Å; V124-S331 WeakPolarHBondContact CA-O 3.39Å; T125-S331 PolarHBondContact N-O 2.86Å; T125-S331 PolarHBondContact O-N 3.24Å; K140-S331 WeakPolarHBondContact O-CB 3.39Å
332D95.1Very high93.7Very high108 Ų10853.8 Ų53.858%0.57827%0.269SS*.EExtended strand (participates in β ladder)trans-66.9140.1174.7-58-31.4000110.2R142R142-D332 IonicContact CZ-OD1 2.82Å; R142-D332 IonicContact NH1-OD1 3.63Å; R142-D332 PolarHBondContact NH1-OD1 2.76Å; R142-D332 IonicContact NH1-OD2 3.62Å; R142-D332 IonicContact NH2-OD1 3.49Å; R142-D332 PolarHBondContact NH2-OD1 3.43Å
333L88.6Confident93.5Very high16 Ų1647 Ų478%0.08424%0.238CC..  trans-91111.8175.5-162.361.8000107.9M87 S112 K116 V122 K123 T125M87-L333 HydrophobicContact CE-CD1 4.31Å; S112-L333 VanDerWaalsContact CB-CD1 3.41Å; S112-L333 WeakPolarHBondContact OG-CD1 3.34Å; K116-L333 HydrophobicContact CB-CD2 4.41Å; K116-L333 HydrophobicContact CD-CD2 4.35Å; V122-L333 HydrophobicContact CB-CD2 4.18Å; V122-L333 HydrophobicContact CG1-CD2 3.45Å; V122-L333 VanDerWaalsContact CG1-CD2 3.45Å; K123-L333 PolarHBondContact O-N 2.77Å; T125-L333 WeakPolarHBondContact OG1-CD1 3.41Å
334I67.3Low93.3Very high209 Ų20943.3 Ų43.3100%1.07223%0.229SC*.  trans-75.10-179.6-57.8176.6000109.8

Retrieved 334 of 334 residues in 505.8 ms (Link to these results)

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