A0A087Y166_POEFO Loading...

Carboxypeptidase

Protective protein appears to be essential for both the activity of beta-galactosidase and neuraminidase, it associates with these enzymes and exerts a protective function necessary for their stability and activity. This protein is also a carboxypeptidase and can deamidate tachykinins.

AlphaFold DB , UniProt , Accession A0A087Y166, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 471 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
1M39Very low40.5Very low245 Ų245165.5 Ų165.5100%1.20780%0.8SS**  091.10-150.9170.27900107.1
2Q37.6Very low40.6Very low175 Ų175164.8 Ų164.882%0.81880%0.801SS**  trans-146.1105.6177.9-119.2173.1-8.600105.9
3V37.5Very low40.9Very low126 Ų126164.5 Ų164.576%0.76481%0.805SS**  trans-104.1110.3175.3178.20000105.9L5V3-L5 HydrophobicContact CG1-CD1 4.39Å
4F40.9Very low41Very low170 Ų170157.4 Ų157.475%0.74680%0.795SS**  trans-83.5112.4168.3-98-92.2000108.1
5L42.9Very low41.5Very low135 Ų135152.9 Ų152.971%0.70779%0.791SS**  trans-84.1110.5164.6-97.3113.9000108.6V3 F7V3-L5 HydrophobicContact CG1-CD1 4.39Å; L5-F7 HydrophobicContact CD2-CE2 4.32Å
6W41.9Very low42.2Very low223 Ų223146.3 Ų146.385%0.84577%0.772SS**  trans-84.1112.9164-8858.1000108.6L8W6-L8 PolarHBondContact O-N 2.92Å
7F41.8Very low44.1Very low178 Ų178142.5 Ų142.578%0.78177%0.767SS**  trans-80.7107.2164.3-91.1-91.8000108.4L5 L9L5-F7 HydrophobicContact CD2-CE2 4.32Å; F7-L9 PolarHBondContact O-N 2.97Å
8L41.4Very low46.5Very low143 Ų143135.3 Ų135.375%0.74973%0.73SS**  trans-70.5105.3161.8-11098.4000107.8W6 T10W6-L8 PolarHBondContact O-N 2.92Å; L8-T10 PolarHBondContact O-N 2.77Å
9L40.5Very low49Very low142 Ų142129.4 Ų129.474%0.74370%0.7SS**  trans-74.695.5158.9-102.5112.2000107.6F7 F11F7-L9 PolarHBondContact O-N 2.97Å; L9-F11 HydrophobicContact CD2-CD2 4.4Å; L9-F11 HydrophobicContact CD2-CE2 4.12Å; L9-F11 PolarHBondContact O-N 3.43Å; L9-F11 VanDerWaalsContact O-N 3.09Å
10T42.6Very low51.3Low109 Ų109128 Ų12867%0.66970%0.7SS**  trans-69.397159.443.70000107.8L8 L12L8-T10 PolarHBondContact O-N 2.77Å; T10-L12 VanDerWaalsContact C-N 3.25Å; T10-L12 PolarHBondContact O-N 3.41Å
11F39.4Very low53.4Low175 Ų175125.4 Ų125.477%0.76870%0.695SS**  trans-64.794.2157.3-98.7-92000107L9 L13L9-F11 HydrophobicContact CD2-CD2 4.4Å; L9-F11 HydrophobicContact CD2-CE2 4.12Å; L9-F11 PolarHBondContact O-N 3.43Å; L9-F11 VanDerWaalsContact O-N 3.09Å; F11-L13 PolarHBondContact O-N 3.49Å
12L42.1Very low56.2Low157 Ų157115.1 Ų115.182%0.82265%0.645SS**  trans-64.392.9155.9-83.4153.3000105.8T10 G14T10-L12 VanDerWaalsContact C-N 3.25Å; T10-L12 PolarHBondContact O-N 3.41Å; L12-G14 PolarHBondContact O-N 2.81Å
13L44Very low59.1Low161 Ų161110.1 Ų110.184%0.84362%0.622SS**  trans-6093.7156.7-81.7156.8000105.2F11 A15F11-L13 PolarHBondContact O-N 3.49Å; L13-A15 PolarHBondContact O-N 2.76Å
14G42Very low62Low65 Ų65104.6 Ų104.667%0.6759%0.588SS**  trans-54.8124.8174.600000108L12 G16L12-G14 PolarHBondContact O-N 2.81Å; G14-G16 PolarHBondContact O-N 2.85Å
15A48.5Very low64.6Low89 Ų89101.8 Ų101.874%0.73659%0.59SS**  trans-50.8110.715900000106L13 A17L13-A15 PolarHBondContact O-N 2.76Å; A15-A17 PolarHBondContact O-N 3.17Å
16G53.7Low67.2Low48 Ų48101.3 Ų101.350%0.49558%0.582SS.*  trans-58.6123.2177.500000107.5G14 P154G14-G16 PolarHBondContact O-N 2.85Å; G16-P154 WeakPolarHBondContact O-CD 3.42Å; G16-P154 WeakPolarHBondContact O-CG 3.31Å
17A73.2Confident69.9Low82 Ų8290.7 Ų90.768%0.67854%0.542SS*.  trans-60.4161.816800000109.7A15A15-A17 PolarHBondContact O-N 3.17Å
18A88.4Confident72.6Confident12 Ų1283.3 Ų83.310%0.09951%0.512CS..SBendtrans-32.8140.817100000113.6S20 Y39 F153 E155A18-S20 PolarHBondContact O-N 2.94Å; A18-Y39 HydrophobicContact CB-CE1 3.78Å; A18-Y39 HydrophobicContact CB-CE2 4.47Å; A18-F153 HydrophobicContact CB-CD1 3.64Å; A18-F153 HydrophobicContact CB-CE1 3.6Å; A18-E155 WeakPolarHBondContact CB-OE1 3.41Å; A18-E155 PolarHBondContact N-OE1 3.44Å
19P93.9Very high75.3Confident24 Ų2477.8 Ų77.816%0.15649%0.49CS..  trans-61.5103.1-176.626.7-35.5000110.5A21 D22 L152 F153P19-A21 PolarHBondContact O-N 3.31Å; P19-D22 HydrophobicContact CB-CB 4.32Å; P19-D22 HydrophobicContact CG-CB 4.05Å; P19-D22 PolarHBondContact O-N 3.2Å; P19-L152 WeakPolarHBondContact CD-O 3.22Å; P19-L152 HydrophobicContact CG-CB 4.31Å; P19-F153 HydrophobicContact CG-CE1 4.27Å; P19-F153 HydrophobicContact CG-CE2 3.84Å; P19-F153 HydrophobicContact CG-CZ 3.66Å
20S93.7Very high78Confident101 Ų10171.9 Ų71.971%0.70646%0.458SS*.THydrogen-bonded Turntrans-61-21.6179.864.60000113A18 D22A18-S20 PolarHBondContact O-N 2.94Å; S20-D22 VanDerWaalsContact C-N 3.25Å; S20-D22 PolarHBondContact O-N 3.18Å
21A95.9Very high80.5Confident73 Ų7375.8 Ų75.860%0.60347%0.469SS*.THydrogen-bonded Turntrans-70.2-21.7175.900000113.2P19P19-A21 PolarHBondContact O-N 3.31Å
22D98.3Very high83.3Confident29 Ų2975.1 Ų75.116%0.15547%0.466CS..THydrogen-bonded Turntrans-97.5-7.5-178.7-64.911000111.3P19 S20 I24 Y39 S40 Y53 H343P19-D22 HydrophobicContact CB-CB 4.32Å; P19-D22 HydrophobicContact CG-CB 4.05Å; P19-D22 PolarHBondContact O-N 3.2Å; S20-D22 VanDerWaalsContact C-N 3.25Å; S20-D22 PolarHBondContact O-N 3.18Å; D22-I24 PolarHBondContact O-N 2.56Å; D22-Y39 HydrophobicContact CB-CD1 4.4Å; D22-Y39 CarbonylContact O-C 3.58Å; D22-Y39 WeakPolarHBondContact O-CA 3.36Å; D22-S40 PolarHBondContact O-N 3.22Å; D22-Y53 WeakPolarHBondContact CB-OH 3.22Å; D22-Y53 PolarHBondContact OD2-OH 2.91Å; D22-H343 VanDerWaalsContact C-CE1 3.45Å; D22-H343 PolarHBondContact O-CE1 2.85Å; D22-H343 VanDerWaalsContact O-CE1 3.3Å; D22-H343 PolarHBondContact O-ND1 3.13Å
23E98.6Very high85.9Confident71 Ų7170.3 Ų70.333%0.33244%0.439SS..BIsolated β-bridgetrans-68.8122.8-175.2-170.3172.9-17300112.2S25 R37 Y39 H343E23-S25 PolarHBondContact O-N 2.95Å; E23-R37 VanDerWaalsContact OE1-CD 3.32Å; E23-R37 WeakPolarHBondContact OE1-CD 3.26Å; E23-R37 WeakPolarHBondContact OE1-CG 3.25Å; E23-Y39 HydrophobicContact CB-CD1 3.82Å; E23-Y39 HydrophobicContact CB-CE1 3.67Å; E23-Y39 HydrophobicContact CG-CD1 4.33Å; E23-Y39 HydrophobicContact CG-CE1 3.95Å; E23-H343 PolarHBondContact O-CE1 2.76Å
24I98.6Very high88.4Confident10 Ų1063.9 Ų63.95%0.05141%0.407CS..  trans-79.791.5176.7-51.6161000108.6D22 L27 Q38 W54 A341 L342D22-I24 PolarHBondContact O-N 2.56Å; I24-L27 HydrophobicContact CG2-CB 4.03Å; I24-L27 HydrophobicContact CG2-CD1 4.18Å; I24-Q38 HydrophobicContact CB-CG 4.06Å; I24-Q38 HydrophobicContact CD1-CB 4.33Å; I24-Q38 HydrophobicContact CD1-CG 4.13Å; I24-Q38 PolarHBondContact N-O 2.97Å; I24-W54 HydrophobicContact CD1-CD2 4.35Å; I24-W54 HydrophobicContact CD1-CZ2 3.91Å; I24-A341 HydrophobicContact CG2-CB 4.47Å; I24-L342 HydrophobicContact CD1-CD2 3.54Å; I24-L342 HydrophobicContact CG1-CD2 4.16Å
25S94.8Very high91Very high111 Ų11166.6 Ų66.678%0.77642%0.416SS*.SBendtrans-70.8-29.5179.757.30000114.3E23E23-S25 PolarHBondContact O-N 2.95Å
26F98Very high93.4Very high124 Ų12463.1 Ų63.154%0.54438%0.384SS..  trans-146.6118.7176.8179.3-88.6000109.9P28 Q33 A341F26-P28 HydrophobicContact CD1-CG 4.5Å; F26-P28 HydrophobicContact CE1-CG 4.3Å; F26-Q33 HydrophobicContact CD2-CG 4.04Å; F26-Q33 HydrophobicContact CE2-CG 4.43Å; F26-Q33 VanDerWaalsContact CE2-NE2 3.34Å; F26-A341 WeakPolarHBondContact O-CB 3.4Å
27L98.5Very high95.5Very high0 Ų066.4 Ų66.40%038%0.382CS..  trans-102.6119.9175.6-172.468000110.4I24 L30 Q33 W54 F90 L99 Y332 L342I24-L27 HydrophobicContact CG2-CB 4.03Å; I24-L27 HydrophobicContact CG2-CD1 4.18Å; L27-L30 HydrophobicContact CB-CD1 4.14Å; L27-L30 HydrophobicContact CD2-CD1 3.98Å; L27-L30 HydrophobicContact CD2-CG 4.46Å; L27-Q33 PolarHBondContact O-NE2 3.32Å; L27-W54 HydrophobicContact CD1-CH2 3.83Å; L27-W54 HydrophobicContact CD1-CZ2 3.92Å; L27-W54 HydrophobicContact CD2-CH2 3.96Å; L27-W54 HydrophobicContact CD2-CZ2 3.71Å; L27-W54 HydrophobicContact CG-CZ2 4.49Å; L27-F90 HydrophobicContact CD2-CD2 4.18Å; L27-F90 HydrophobicContact CD2-CE1 4Å; L27-F90 HydrophobicContact CD2-CE2 3.55Å; L27-F90 HydrophobicContact CD2-CZ 3.48Å; L27-F90 VanDerWaalsContact CD2-CZ 3.48Å; L27-L99 HydrophobicContact CD2-CD1 3.53Å; L27-L99 HydrophobicContact CG-CD1 4.08Å; L27-Y332 WeakPolarHBondContact CD1-OH 3.46Å; L27-Y332 WeakPolarHBondContact CG-OH 3.09Å; L27-L342 HydrophobicContact CD1-CD2 4.03Å
28P98.6Very high96.7Very high24 Ų2462.6 Ų62.616%0.15635%0.35CS..THydrogen-bonded Turntrans-59.4152.1175.2-23.734.2000112.6F26 L30 Y332 V338 A341F26-P28 HydrophobicContact CD1-CG 4.5Å; F26-P28 HydrophobicContact CE1-CG 4.3Å; P28-L30 VanDerWaalsContact C-N 3.31Å; P28-L30 PolarHBondContact O-N 3.33Å; P28-Y332 WeakPolarHBondContact O-CE2 3.45Å; P28-Y332 PolarHBondContact O-OH 3.35Å; P28-V338 HydrophobicContact CB-CG2 3.92Å; P28-V338 HydrophobicContact CG-CG2 3.98Å; P28-A341 HydrophobicContact CG-CB 4.47Å
29G98.2Very high97.2Very high27 Ų2762.4 Ų62.428%0.27835%0.347SS..THydrogen-bonded Turntrans88.1-16177.400000115.3V97 L99G29-V97 WeakPolarHBondContact CA-O 3.47Å; G29-L99 PolarHBondContact O-N 3.38Å
30L98Very high97.4Very high17 Ų1761.3 Ų61.39%0.08934%0.339CS..BIsolated β-bridgetrans-84.2130.4173-73.1176000111.8L27 P28 K32 P34 F90 L99 Y101L27-L30 HydrophobicContact CB-CD1 4.14Å; L27-L30 HydrophobicContact CD2-CD1 3.98Å; L27-L30 HydrophobicContact CD2-CG 4.46Å; P28-L30 VanDerWaalsContact C-N 3.31Å; P28-L30 PolarHBondContact O-N 3.33Å; L30-K32 VanDerWaalsContact C-N 3.27Å; L30-K32 PolarHBondContact O-N 3.22Å; L30-P34 HydrophobicContact CD1-CG 3.83Å; L30-F90 HydrophobicContact CD1-CD1 4.29Å; L30-F90 HydrophobicContact CD2-CB 4.05Å; L30-F90 HydrophobicContact CD2-CD1 4.31Å; L30-F90 HydrophobicContact CD2-CG 4.3Å; L30-L99 HydrophobicContact CD2-CB 3.64Å; L30-L99 HydrophobicContact CD2-CD1 4.33Å; L30-L99 HydrophobicContact CG-CB 4.08Å; L30-L99 HydrophobicContact CG-CD1 4.11Å; L30-Y101 HydrophobicContact CD2-CD2 4.41Å; L30-Y101 HydrophobicContact CD2-CE2 3.97Å
31Q94.6Very high97.7Very high192 Ų19256.6 Ų56.690%0.89731%0.307SS*.SBendtrans-67.3-29.4171.1-66.7-171.9-5.700112.8
32K96.7Very high97.8Very high160 Ų16054.5 Ų54.570%0.69628%0.283SS*.SBendtrans-139.8129177.8-176.8-177.3175.5-174.40109.4L30 Y101L30-K32 VanDerWaalsContact C-N 3.27Å; L30-K32 PolarHBondContact O-N 3.22Å; K32-Y101 WeakPolarHBondContact O-CE2 3.33Å; K32-Y101 PolarHBondContact O-OH 3.05Å
33Q97.4Very high97.8Very high56 Ų5653.1 Ų53.126%0.26228%0.276SS..  trans-66.2148.4178.7-65-59-40.500111.7F26 L27F26-Q33 HydrophobicContact CD2-CG 4.04Å; F26-Q33 HydrophobicContact CE2-CG 4.43Å; F26-Q33 VanDerWaalsContact CE2-NE2 3.34Å; L27-Q33 PolarHBondContact O-NE2 3.32Å
34P97.4Very high97.8Very high27 Ų2753.5 Ų53.518%0.17528%0.281CS..  trans-62.3151.7-174.8-23.936.5000113.8L30 F36 F90 Y101L30-P34 HydrophobicContact CD1-CG 3.83Å; P34-F36 HydrophobicContact CB-CD1 4.09Å; P34-F36 HydrophobicContact CB-CD2 4.29Å; P34-F36 HydrophobicContact CB-CE1 3.82Å; P34-F36 HydrophobicContact CB-CE2 3.99Å; P34-F36 HydrophobicContact CB-CG 4.32Å; P34-F36 HydrophobicContact CB-CZ 3.73Å; P34-F36 HydrophobicContact CG-CZ 4.27Å; P34-F90 HydrophobicContact CG-CE1 4.49Å; P34-Y101 VanDerWaalsContact CA-OH 3.24Å; P34-Y101 WeakPolarHBondContact CA-OH 3.43Å
35S95.9Very high97.6Very high122 Ų12254 Ų5485%0.85328%0.284SS*.SBendtrans-89.3-3.717259.20000113.6
36F98.2Very high97.4Very high15 Ų1550.9 Ų50.97%0.06627%0.265CS..SBendtrans-113.4151.9175.154.9-90.8000108.5P34 V56 Q59 P89 Y101 N107P34-F36 HydrophobicContact CB-CD1 4.09Å; P34-F36 HydrophobicContact CB-CD2 4.29Å; P34-F36 HydrophobicContact CB-CE1 3.82Å; P34-F36 HydrophobicContact CB-CE2 3.99Å; P34-F36 HydrophobicContact CB-CG 4.32Å; P34-F36 HydrophobicContact CB-CZ 3.73Å; P34-F36 HydrophobicContact CG-CZ 4.27Å; F36-V56 HydrophobicContact CE2-CB 4.25Å; F36-Q59 HydrophobicContact CD1-CG 3.61Å; F36-Q59 HydrophobicContact CE1-CG 3.93Å; F36-Q59 HydrophobicContact CG-CG 4.23Å; F36-P89 HydrophobicContact CE1-CB 4.25Å; F36-P89 HydrophobicContact CE2-CB 4.1Å; F36-P89 HydrophobicContact CE2-CG 4.08Å; F36-P89 HydrophobicContact CZ-CB 3.43Å; F36-P89 VanDerWaalsContact CZ-CB 3.43Å; F36-P89 HydrophobicContact CZ-CG 3.89Å; F36-Y101 HydrophobicContact CE1-CE1 4.45Å; F36-N107 WeakPolarHBondContact CE2-ND2 3.48Å
37R98.5Very high97.2Very high117 Ų11751 Ų5144%0.44227%0.272SS..  trans-78.3154.3177.4-63-175.3-63.5-97.4-7.9110.7E23 Y39 E57E23-R37 VanDerWaalsContact OE1-CD 3.32Å; E23-R37 WeakPolarHBondContact OE1-CD 3.26Å; E23-R37 WeakPolarHBondContact OE1-CG 3.25Å; R37-Y39 HydrophobicContact CB-CE2 3.78Å; R37-Y39 VanDerWaalsContact CD-OH 3.27Å; R37-Y39 WeakPolarHBondContact CD-OH 3.5Å; R37-Y39 PolarHBondContact NE-OH 3.14Å; R37-Y39 VanDerWaalsContact NE-OH 3.11Å; R37-E57 HydrophobicContact CB-CG 4.21Å; R37-E57 IonicContact CZ-OE1 3.15Å; R37-E57 IonicContact CZ-OE2 2.74Å; R37-E57 IonicContact NE-OE1 3.52Å; R37-E57 PolarHBondContact NE-OE1 3.36Å; R37-E57 IonicContact NE-OE2 3.37Å; R37-E57 PolarHBondContact NE-OE2 3.11Å; R37-E57 VanDerWaalsContact NH2-CD 3.33Å; R37-E57 IonicContact NH2-OE1 3.65Å; R37-E57 PolarHBondContact NH2-OE1 3.48Å; R37-E57 IonicContact NH2-OE2 2.67Å; R37-E57 PolarHBondContact NH2-OE2 2.92Å; R37-E57 WeakPolarHBondContact O-CB 3.47Å; R37-E57 PolarHBondContact O-N 3.03Å
38Q98.8Very high97.1Very high3 Ų352 Ų521%0.01428%0.282CS..EExtended strand (participates in β ladder)trans-148.3147.2176.647.2165.1-0.400109.3I24 F55 V56 F90I24-Q38 HydrophobicContact CB-CG 4.06Å; I24-Q38 HydrophobicContact CD1-CB 4.33Å; I24-Q38 HydrophobicContact CD1-CG 4.13Å; I24-Q38 PolarHBondContact N-O 2.97Å; Q38-F55 CarbonylContact C-O 3.44Å; Q38-F55 WeakPolarHBondContact CA-O 3.19Å; Q38-V56 HydrophobicContact CB-CB 4.45Å; Q38-V56 HydrophobicContact CB-CG1 3.88Å; Q38-F90 VanDerWaalsContact OE1-CZ 3.25Å
39Y98.9Very high97Very high8 Ų851.7 Ų51.73%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-132.8142.3-171.3-57.7-98.2000109.1A18 D22 E23 R37 W54 F55 E57 F153A18-Y39 HydrophobicContact CB-CE1 3.78Å; A18-Y39 HydrophobicContact CB-CE2 4.47Å; D22-Y39 HydrophobicContact CB-CD1 4.4Å; D22-Y39 CarbonylContact O-C 3.58Å; D22-Y39 WeakPolarHBondContact O-CA 3.36Å; E23-Y39 HydrophobicContact CB-CD1 3.82Å; E23-Y39 HydrophobicContact CB-CE1 3.67Å; E23-Y39 HydrophobicContact CG-CD1 4.33Å; E23-Y39 HydrophobicContact CG-CE1 3.95Å; R37-Y39 HydrophobicContact CB-CE2 3.78Å; R37-Y39 VanDerWaalsContact CD-OH 3.27Å; R37-Y39 WeakPolarHBondContact CD-OH 3.5Å; R37-Y39 PolarHBondContact NE-OH 3.14Å; R37-Y39 VanDerWaalsContact NE-OH 3.11Å; Y39-W54 CarbonylContact O-C 3.52Å; Y39-W54 WeakPolarHBondContact O-CA 3.27Å; Y39-F55 AromaticContact CD2-CD1 3.83Å; Y39-F55 HydrophobicContact CD2-CD1 3.83Å; Y39-F55 HydrophobicContact CE2-CD1 4.49Å; Y39-F55 PolarHBondContact N-O 2.87Å; Y39-F55 PolarHBondContact O-N 2.93Å; Y39-E57 HydrophobicContact CE2-CG 4.32Å; Y39-F153 HydrophobicContact CD1-CE1 4.08Å; Y39-F153 HydrophobicContact CD1-CZ 4.14Å; Y39-F153 AromaticContact CD2-CE1 3.87Å; Y39-F153 HydrophobicContact CD2-CE1 3.87Å; Y39-F153 HydrophobicContact CD2-CZ 4.27Å; Y39-F153 HydrophobicContact CE1-CE1 4.35Å; Y39-F153 HydrophobicContact CE2-CE1 4.15Å; Y39-F153 AromaticContact CG-CE1 3.84Å; Y39-F153 HydrophobicContact CG-CE1 3.84Å; Y39-F153 AromaticContact CG-CZ 3.85Å; Y39-F153 HydrophobicContact CG-CZ 3.85Å
40S98.9Very high97.1Very high0 Ų051.7 Ų51.70%027%0.271CS..EExtended strand (participates in β ladder)trans-143133.5170.6-173.40000110.2D22 H52 Y53 L342 H343D22-S40 PolarHBondContact O-N 3.22Å; S40-H52 PolarHBondContact OG-CE1 2.93Å; S40-H52 PolarHBondContact OG-NE2 3.34Å; S40-Y53 VanDerWaalsContact CA-O 3.25Å; S40-Y53 WeakPolarHBondContact CA-O 3.43Å; S40-Y53 PolarHBondContact OG-O 2.89Å; S40-L342 PolarHBondContact OG-O 2.8Å; S40-H343 PolarHBondContact O-ND1 2.93Å
41G98.6Very high97.1Very high2 Ų251 Ų512%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-176.2-152.1-173.600000110.1H52 Y53G41-H52 WeakPolarHBondContact O-CA 3.33Å; G41-H52 PolarHBondContact O-CD2 3.46Å; G41-Y53 VanDerWaalsContact C-CD1 3.4Å; G41-Y53 PolarHBondContact N-O 2.95Å; G41-Y53 VanDerWaalsContact O-CD1 3.26Å; G41-Y53 WeakPolarHBondContact O-CD1 3.15Å; G41-Y53 PolarHBondContact O-N 3.4Å
42Y98.8Very high97.3Very high29 Ų2941.8 Ų41.811%0.11422%0.224CC..EExtended strand (participates in β ladder)trans-128134.2-175.4-67.6-89.3000112.4H50 L51 H52 F123 Y125 S345Y42-H50 HydrophobicContact CD1-CB 3.83Å; Y42-H50 HydrophobicContact CG-CB 4.39Å; Y42-L51 CarbonylContact C-O 3.6Å; Y42-L51 WeakPolarHBondContact CA-O 3.42Å; Y42-H52 HydrophobicContact CD1-CB 4.2Å; Y42-H52 HydrophobicContact CE1-CB 3.85Å; Y42-F123 VanDerWaalsContact CE1-O 3.29Å; Y42-F123 WeakPolarHBondContact CE1-O 3.32Å; Y42-F123 PolarHBondContact OH-O 3.38Å; Y42-Y125 HydrophobicContact CD1-CD1 4.37Å; Y42-Y125 AromaticContact CD1-CE1 4Å; Y42-Y125 HydrophobicContact CD1-CE1 4Å; Y42-Y125 AromaticContact CE1-CD1 3.71Å; Y42-Y125 HydrophobicContact CE1-CD1 3.71Å; Y42-Y125 AromaticContact CE1-CE1 3.54Å; Y42-Y125 HydrophobicContact CE1-CE1 3.54Å; Y42-Y125 HydrophobicContact CE2-CE1 4.46Å; Y42-Y125 AromaticContact CZ-CE1 3.8Å; Y42-S345 PolarHBondContact OH-N 2.87Å
43L98.8Very high97.4Very high0 Ų034.2 Ų34.20%019%0.191CC..EExtended strand (participates in β ladder)trans-93107167.5-56.5177.2000107.7L51 Y53 L115 A145 E148 F149 L152L43-L51 PolarHBondContact N-O 3.24Å; L43-L51 PolarHBondContact O-N 3.14Å; L43-Y53 HydrophobicContact CD1-CD1 4.43Å; L43-Y53 HydrophobicContact CD1-CG 4.42Å; L43-Y53 HydrophobicContact CD2-CD1 3.91Å; L43-Y53 HydrophobicContact CD2-CE1 4.08Å; L43-Y53 HydrophobicContact CG-CD1 3.73Å; L43-Y53 HydrophobicContact CG-CE1 4.39Å; L43-Y53 HydrophobicContact CG-CG 4.2Å; L43-L115 HydrophobicContact CD1-CD1 3.81Å; L43-A145 HydrophobicContact CB-CB 3.98Å; L43-A145 HydrophobicContact CD1-CB 3.96Å; L43-A145 WeakPolarHBondContact CD1-O 3.31Å; L43-E148 HydrophobicContact CB-CB 4.48Å; L43-E148 HydrophobicContact CB-CG 4.35Å; L43-E148 HydrophobicContact CD2-CG 4.21Å; L43-F149 HydrophobicContact CD1-CB 3.98Å; L43-F149 HydrophobicContact CD2-CB 4Å; L43-L152 HydrophobicContact CD2-CD1 3.85Å
44N97.6Very high97.5Very high80 Ų8031.5 Ų31.543%0.42818%0.178SC..EExtended strand (participates in β ladder)trans-80.3124.6-178-56.6-39.9000109.7H50N44-H50 PolarHBondContact OD1-ND1 2.93Å
45V95.4Very high97.6Very high19 Ų1930.2 Ų30.212%0.11517%0.17CC..EExtended strand (participates in β ladder)trans-120.1-178.6177.3-53.50000110.4K49 N141 L144 A145V45-K49 HydrophobicContact CG2-CB 3.47Å; V45-K49 VanDerWaalsContact CG2-CB 3.47Å; V45-K49 HydrophobicContact CG2-CD 4.35Å; V45-K49 PolarHBondContact N-O 3.23Å; V45-N141 HydrophobicContact CG2-CB 4.21Å; V45-L144 HydrophobicContact CB-CB 4.01Å; V45-L144 HydrophobicContact CB-CD1 4.48Å; V45-L144 HydrophobicContact CG1-CB 3.8Å; V45-A145 HydrophobicContact CG1-CB 3.91Å
46A89.9Confident97.7Very high47 Ų4724.4 Ų24.439%0.38813%0.129SC..THydrogen-bonded Turntrans-57155.9-175.800000112.9G48 K49 L144A46-G48 PolarHBondContact O-N 2.62Å; A46-K49 WeakPolarHBondContact O-CB 3.4Å; A46-K49 WeakPolarHBondContact O-CD 3.3Å; A46-K49 WeakPolarHBondContact O-CG 3.42Å; A46-L144 HydrophobicContact CB-CD1 4.22Å
47D93.2Very high97.7Very high127 Ų12723.9 Ų23.968%0.67913%0.127SC*.THydrogen-bonded Turntrans63.135.7173.8-45.3-42.8000115.3K49D47-K49 VanDerWaalsContact C-N 3.3Å; D47-K49 PolarHBondContact O-N 2.99Å; D47-K49 IonicContact OD2-NZ 2.78Å
48G95.9Very high97.7Very high21 Ų2118.4 Ų18.422%0.21611%0.107CC..THydrogen-bonded Turntrans67.232.3175.600000112.9A46 H50 S126 D127A46-G48 PolarHBondContact O-N 2.62Å; G48-H50 PolarHBondContact O-CD2 3.45Å; G48-H50 VanDerWaalsContact O-CD2 3.28Å; G48-H50 PolarHBondContact O-NE2 3.12Å; G48-S126 CarbonylContact O-C 3.35Å; G48-S126 WeakPolarHBondContact O-CA 3.31Å; G48-D127 WeakPolarHBondContact CA-OD2 3.37Å; G48-D127 PolarHBondContact O-N 2.82Å
49K98.1Very high97.7Very high17 Ų1721.8 Ų21.87%0.07412%0.123CC..EExtended strand (participates in β ladder)trans-99.9131.2-179.3-71.4173.4-175.2143.50109.9V45 A46 D47 V119 E137V45-K49 HydrophobicContact CG2-CB 3.47Å; V45-K49 VanDerWaalsContact CG2-CB 3.47Å; V45-K49 HydrophobicContact CG2-CD 4.35Å; V45-K49 PolarHBondContact N-O 3.23Å; A46-K49 WeakPolarHBondContact O-CB 3.4Å; A46-K49 WeakPolarHBondContact O-CD 3.3Å; A46-K49 WeakPolarHBondContact O-CG 3.42Å; D47-K49 VanDerWaalsContact C-N 3.3Å; D47-K49 PolarHBondContact O-N 2.99Å; D47-K49 IonicContact OD2-NZ 2.78Å; K49-V119 HydrophobicContact CB-CG1 3.63Å; K49-V119 HydrophobicContact CD-CG1 4.45Å; K49-V119 HydrophobicContact CD-CG2 4.37Å; K49-V119 HydrophobicContact CG-CG1 3.89Å; K49-V119 HydrophobicContact CG-CG2 4.24Å; K49-E137 IonicContact NZ-OE1 3.74Å; K49-E137 PolarHBondContact NZ-OE1 2.72Å
50H98.6Very high97.6Very high27 Ų2724.9 Ų24.913%0.12515%0.145CC..EExtended strand (participates in β ladder)trans-125.8104.9-173.7-55.9-77.7000109.2Y42 N44 G48 S124 Y125 D127Y42-H50 HydrophobicContact CD1-CB 3.83Å; Y42-H50 HydrophobicContact CG-CB 4.39Å; N44-H50 PolarHBondContact OD1-ND1 2.93Å; G48-H50 PolarHBondContact O-CD2 3.45Å; G48-H50 VanDerWaalsContact O-CD2 3.28Å; G48-H50 PolarHBondContact O-NE2 3.12Å; H50-S124 CarbonylContact O-C 3.55Å; H50-S124 VanDerWaalsContact O-CA 3.3Å; H50-S124 WeakPolarHBondContact O-CA 3.3Å; H50-Y125 HydrophobicContact CB-CD1 4.02Å; H50-Y125 HydrophobicContact CB-CE1 3.74Å; H50-Y125 HydrophobicContact CB-CE2 4.37Å; H50-Y125 HydrophobicContact CB-CG 4.45Å; H50-Y125 AromaticContact CD2-CE2 3.53Å; H50-Y125 AromaticContact CD2-CZ 3.77Å; H50-Y125 AromaticContact CG-CZ 3.86Å; H50-Y125 PolarHBondContact N-O 2.83Å; H50-Y125 PolarHBondContact O-N 2.82Å; H50-D127 IonicContact CD2-OD1 3.81Å; H50-D127 IonicContact NE2-OD1 3.57Å; H50-D127 PolarHBondContact NE2-OD1 2.82Å; H50-D127 IonicContact NE2-OD2 2.74Å
51L98.9Very high97.6Very high1 Ų131.2 Ų31.21%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-93116.3179.3-63.4176.5000109.9Y42 L43 L115 V119 S124 N141 A145Y42-L51 CarbonylContact C-O 3.6Å; Y42-L51 WeakPolarHBondContact CA-O 3.42Å; L43-L51 PolarHBondContact N-O 3.24Å; L43-L51 PolarHBondContact O-N 3.14Å; L51-L115 HydrophobicContact CB-CD1 3.86Å; L51-V119 HydrophobicContact CD2-CB 4.48Å; L51-V119 HydrophobicContact CD2-CG1 3.68Å; L51-V119 HydrophobicContact CG-CG1 4.42Å; L51-S124 WeakPolarHBondContact CA-OG 3.23Å; L51-N141 HydrophobicContact CD1-CB 4.49Å; L51-A145 HydrophobicContact CD1-CB 3.86Å
52H98.9Very high97.5Very high0 Ų032.5 Ų32.50%018%0.181CC..EExtended strand (participates in β ladder)trans-64.8135174.3177.1-93.4000110.3S40 G41 Y42 E116 F123 S124 I344S40-H52 PolarHBondContact OG-CE1 2.93Å; S40-H52 PolarHBondContact OG-NE2 3.34Å; G41-H52 WeakPolarHBondContact O-CA 3.33Å; G41-H52 PolarHBondContact O-CD2 3.46Å; Y42-H52 HydrophobicContact CD1-CB 4.2Å; Y42-H52 HydrophobicContact CE1-CB 3.85Å; H52-E116 HydrophobicContact CB-CB 4.36Å; H52-E116 IonicContact CG-OE2 2.79Å; H52-E116 IonicContact ND1-OE2 3.74Å; H52-E116 PolarHBondContact ND1-OE2 3.21Å; H52-E116 VanDerWaalsContact ND1-OE2 3.15Å; H52-E116 PolarHBondContact O-N 3.42Å; H52-F123 HydrophobicContact CB-CB 3.85Å; H52-S124 PolarHBondContact N-OG 3.4Å; H52-I344 VanDerWaalsContact CD2-CD1 3.5Å; H52-I344 WeakPolarHBondContact CD2-CD1 3.49Å; H52-I344 VanDerWaalsContact NE2-CD1 3.31Å; H52-I344 WeakPolarHBondContact NE2-CD1 3.37Å
53Y98.9Very high97.5Very high0 Ų035.8 Ų35.80%021%0.208CC..EExtended strand (participates in β ladder)trans-126.3152172.780.2-82.3000111.3D22 S40 G41 L43 F55 L113 Y114 F153D22-Y53 WeakPolarHBondContact CB-OH 3.22Å; D22-Y53 PolarHBondContact OD2-OH 2.91Å; S40-Y53 VanDerWaalsContact CA-O 3.25Å; S40-Y53 WeakPolarHBondContact CA-O 3.43Å; S40-Y53 PolarHBondContact OG-O 2.89Å; G41-Y53 VanDerWaalsContact C-CD1 3.4Å; G41-Y53 PolarHBondContact N-O 2.95Å; G41-Y53 VanDerWaalsContact O-CD1 3.26Å; G41-Y53 WeakPolarHBondContact O-CD1 3.15Å; G41-Y53 PolarHBondContact O-N 3.4Å; L43-Y53 HydrophobicContact CD1-CD1 4.43Å; L43-Y53 HydrophobicContact CD1-CG 4.42Å; L43-Y53 HydrophobicContact CD2-CD1 3.91Å; L43-Y53 HydrophobicContact CD2-CE1 4.08Å; L43-Y53 HydrophobicContact CG-CD1 3.73Å; L43-Y53 HydrophobicContact CG-CE1 4.39Å; L43-Y53 HydrophobicContact CG-CG 4.2Å; Y53-F55 HydrophobicContact CD2-CB 3.77Å; Y53-F55 HydrophobicContact CE2-CB 3.74Å; Y53-L113 HydrophobicContact CD2-CD1 3.72Å; Y53-L113 HydrophobicContact CG-CD1 4.13Å; Y53-Y114 CarbonylContact C-O 3.59Å; Y53-Y114 WeakPolarHBondContact CA-O 3.39Å; Y53-F153 AromaticContact CE2-CE2 3.88Å; Y53-F153 HydrophobicContact CE2-CE2 3.88Å; Y53-F153 AromaticContact CE2-CZ 3.97Å; Y53-F153 HydrophobicContact CE2-CZ 3.97Å; Y53-F153 AromaticContact CZ-CE2 3.8Å; Y53-F153 WeakPolarHBondContact OH-CE2 3.17Å; Y53-F153 WeakPolarHBondContact OH-CZ 3.24Å
54W98.9Very high97.4Very high0 Ų039.4 Ų39.40%023%0.233CC..EExtended strand (participates in β ladder)trans-127.5109163-164.4-23.1000108.6I24 L27 Y39 L80 L83 F90 Y114 L333 L342I24-W54 HydrophobicContact CD1-CD2 4.35Å; I24-W54 HydrophobicContact CD1-CZ2 3.91Å; L27-W54 HydrophobicContact CD1-CH2 3.83Å; L27-W54 HydrophobicContact CD1-CZ2 3.92Å; L27-W54 HydrophobicContact CD2-CH2 3.96Å; L27-W54 HydrophobicContact CD2-CZ2 3.71Å; L27-W54 HydrophobicContact CG-CZ2 4.49Å; Y39-W54 CarbonylContact O-C 3.52Å; Y39-W54 WeakPolarHBondContact O-CA 3.27Å; W54-L80 HydrophobicContact CB-CD2 3.78Å; W54-L80 HydrophobicContact CD2-CD2 4.43Å; W54-L80 HydrophobicContact CE3-CD1 4.25Å; W54-L80 HydrophobicContact CE3-CD2 3.76Å; W54-L83 HydrophobicContact CB-CD1 3.91Å; W54-L83 HydrophobicContact CD2-CD1 3.48Å; W54-L83 VanDerWaalsContact CD2-CD1 3.48Å; W54-L83 HydrophobicContact CE3-CD1 3.78Å; W54-L83 HydrophobicContact CG-CD1 3.55Å; W54-L83 HydrophobicContact CH2-CD2 4.49Å; W54-L83 HydrophobicContact CZ3-CD1 4.45Å; W54-L83 HydrophobicContact CZ3-CD2 4.43Å; W54-F90 AromaticContact CH2-CE2 3.75Å; W54-F90 HydrophobicContact CH2-CE2 3.75Å; W54-F90 HydrophobicContact CH2-CZ 4.2Å; W54-F90 AromaticContact CZ2-CE2 3.54Å; W54-F90 HydrophobicContact CZ2-CE2 3.54Å; W54-F90 AromaticContact CZ2-CZ 3.5Å; W54-F90 HydrophobicContact CZ2-CZ 3.5Å; W54-Y114 PolarHBondContact N-O 2.83Å; W54-Y114 WeakPolarHBondContact O-CB 3.48Å; W54-Y114 WeakPolarHBondContact O-CD2 3.42Å; W54-Y114 PolarHBondContact O-N 2.82Å; W54-L333 HydrophobicContact CZ3-CD2 4.33Å; W54-L342 HydrophobicContact CD2-CD2 3.97Å; W54-L342 HydrophobicContact CE3-CD1 4.04Å; W54-L342 HydrophobicContact CE3-CD2 3.82Å; W54-L342 HydrophobicContact CH2-CD1 4.19Å; W54-L342 HydrophobicContact CH2-CD2 3.56Å; W54-L342 HydrophobicContact CH2-CG 4.46Å; W54-L342 HydrophobicContact CZ2-CD2 3.66Å; W54-L342 HydrophobicContact CZ3-CD1 3.62Å; W54-L342 HydrophobicContact CZ3-CD2 3.64Å; W54-L342 HydrophobicContact CZ3-CG 4.28Å
55F98.9Very high97.5Very high0 Ų036.8 Ų36.80%022%0.219CC..EExtended strand (participates in β ladder)trans-101.1126.4178.8179.4-122.8000110.1Q38 Y39 Y53 E57 N111 M112 L113 F149 F153 Y156Q38-F55 CarbonylContact C-O 3.44Å; Q38-F55 WeakPolarHBondContact CA-O 3.19Å; Y39-F55 AromaticContact CD2-CD1 3.83Å; Y39-F55 HydrophobicContact CD2-CD1 3.83Å; Y39-F55 HydrophobicContact CE2-CD1 4.49Å; Y39-F55 PolarHBondContact N-O 2.87Å; Y39-F55 PolarHBondContact O-N 2.93Å; Y53-F55 HydrophobicContact CD2-CB 3.77Å; Y53-F55 HydrophobicContact CE2-CB 3.74Å; F55-E57 HydrophobicContact CE1-CG 4.09Å; F55-N111 HydrophobicContact CE2-CB 3.52Å; F55-N111 HydrophobicContact CZ-CB 3.55Å; F55-M112 CarbonylContact C-O 3.59Å; F55-M112 WeakPolarHBondContact CA-O 3.34Å; F55-M112 WeakPolarHBondContact CD2-O 3.38Å; F55-L113 HydrophobicContact CB-CD1 4.14Å; F55-L113 HydrophobicContact CD2-CB 4.06Å; F55-L113 HydrophobicContact CD2-CD1 4.42Å; F55-F149 HydrophobicContact CB-CE2 4.29Å; F55-F149 HydrophobicContact CD1-CE2 4.16Å; F55-F149 HydrophobicContact CD1-CZ 4.34Å; F55-F149 AromaticContact CD2-CE2 3.88Å; F55-F149 HydrophobicContact CD2-CE2 3.88Å; F55-F149 AromaticContact CD2-CZ 3.83Å; F55-F149 HydrophobicContact CD2-CZ 3.83Å; F55-F149 HydrophobicContact CE1-CE2 4.45Å; F55-F149 HydrophobicContact CE1-CZ 4.19Å; F55-F149 HydrophobicContact CE2-CE2 4.17Å; F55-F149 AromaticContact CE2-CZ 3.65Å; F55-F149 HydrophobicContact CE2-CZ 3.65Å; F55-F149 AromaticContact CG-CE2 3.87Å; F55-F149 HydrophobicContact CG-CE2 3.87Å; F55-F149 HydrophobicContact CG-CZ 4.18Å; F55-F149 HydrophobicContact CZ-CE2 4.44Å; F55-F149 AromaticContact CZ-CZ 3.83Å; F55-F149 HydrophobicContact CZ-CZ 3.83Å; F55-F153 HydrophobicContact CD1-CD1 4.29Å; F55-F153 AromaticContact CD1-CE1 3.85Å; F55-F153 HydrophobicContact CD1-CE1 3.85Å; F55-F153 HydrophobicContact CD1-CZ 4.18Å; F55-F153 HydrophobicContact CE1-CD1 4.18Å; F55-F153 HydrophobicContact CE1-CE1 4.14Å; F55-Y156 HydrophobicContact CE1-CD2 4.35Å; F55-Y156 AromaticContact CE1-CE2 3.73Å; F55-Y156 HydrophobicContact CE1-CE2 3.73Å; F55-Y156 AromaticContact CE1-CZ 3.9Å; F55-Y156 HydrophobicContact CZ-CD1 4.42Å; F55-Y156 HydrophobicContact CZ-CD2 4.26Å; F55-Y156 HydrophobicContact CZ-CE1 4.1Å; F55-Y156 AromaticContact CZ-CE2 3.91Å; F55-Y156 HydrophobicContact CZ-CE2 3.91Å; F55-Y156 HydrophobicContact CZ-CG 4.49Å; F55-Y156 AromaticContact CZ-CZ 3.84Å
56V98.9Very high97.6Very high0 Ų036.4 Ų36.40%022%0.217CC..EExtended strand (participates in β ladder)trans-119.9119176.9-620000109.2F36 Q38 P89 N107 N111 M112 Y114F36-V56 HydrophobicContact CE2-CB 4.25Å; Q38-V56 HydrophobicContact CB-CB 4.45Å; Q38-V56 HydrophobicContact CB-CG1 3.88Å; V56-P89 HydrophobicContact CB-CG 4.26Å; V56-P89 HydrophobicContact CG1-CG 4.02Å; V56-P89 HydrophobicContact CG2-CG 4.19Å; V56-N107 HydrophobicContact CG2-CB 3.76Å; V56-N111 CarbonylContact O-C 3.59Å; V56-N111 WeakPolarHBondContact O-CA 3.14Å; V56-M112 HydrophobicContact CG2-CB 3.71Å; V56-M112 HydrophobicContact CG2-CG 4.45Å; V56-M112 PolarHBondContact N-O 2.57Å; V56-M112 PolarHBondContact O-N 3.13Å; V56-Y114 HydrophobicContact CG2-CE2 3.94Å
57E98.9Very high98Very high4 Ų434.2 Ų34.22%0.01920%0.199CC..  trans-65157.4-179.5-67-168.5164.100111.4R37 Y39 F55 P62 N107 N111 Y156R37-E57 HydrophobicContact CB-CG 4.21Å; R37-E57 IonicContact CZ-OE1 3.15Å; R37-E57 IonicContact CZ-OE2 2.74Å; R37-E57 IonicContact NE-OE1 3.52Å; R37-E57 PolarHBondContact NE-OE1 3.36Å; R37-E57 IonicContact NE-OE2 3.37Å; R37-E57 PolarHBondContact NE-OE2 3.11Å; R37-E57 VanDerWaalsContact NH2-CD 3.33Å; R37-E57 IonicContact NH2-OE1 3.65Å; R37-E57 PolarHBondContact NH2-OE1 3.48Å; R37-E57 IonicContact NH2-OE2 2.67Å; R37-E57 PolarHBondContact NH2-OE2 2.92Å; R37-E57 WeakPolarHBondContact O-CB 3.47Å; R37-E57 PolarHBondContact O-N 3.03Å; Y39-E57 HydrophobicContact CE2-CG 4.32Å; F55-E57 HydrophobicContact CE1-CG 4.09Å; E57-P62 HydrophobicContact CB-CB 4.1Å; E57-P62 HydrophobicContact CB-CG 4Å; E57-P62 HydrophobicContact CG-CB 4.45Å; E57-N107 PolarHBondContact O-ND2 2.85Å; E57-N111 WeakPolarHBondContact CA-OD1 3.43Å; E57-Y156 VanDerWaalsContact CG-OH 3.28Å; E57-Y156 WeakPolarHBondContact CG-OH 3.45Å; E57-Y156 PolarHBondContact OE1-OH 2.97Å
58S98.8Very high98.3Very high2 Ų228.1 Ų28.11%0.01417%0.167CC..  trans-59.5139.4174.9-179.40000111.5S60 P62 D65 N107 A110 N111S58-S60 PolarHBondContact O-N 2.68Å; S58-S60 PolarHBondContact OG-N 3.44Å; S58-S60 VanDerWaalsContact OG-N 3.12Å; S58-P62 WeakPolarHBondContact O-CD 3.23Å; S58-P62 WeakPolarHBondContact O-CG 3.43Å; S58-D65 WeakPolarHBondContact CB-OD2 3.33Å; S58-D65 PolarHBondContact OG-OD2 3.43Å; S58-N107 CarbonylContact C-O 3.6Å; S58-N107 WeakPolarHBondContact CA-O 3.28Å; S58-A110 WeakPolarHBondContact CA-O 3.26Å; S58-A110 PolarHBondContact OG-N 3.11Å; S58-N111 PolarHBondContact N-OD1 3.2Å
59Q98.6Very high98.5Very high74 Ų7427.1 Ų27.135%0.34616%0.156SC..SBendtrans-75.1-9.6172.2-49.5-170.221.800112.7F36 N107F36-Q59 HydrophobicContact CD1-CG 3.61Å; F36-Q59 HydrophobicContact CE1-CG 3.93Å; F36-Q59 HydrophobicContact CG-CG 4.23Å; Q59-N107 PolarHBondContact N-O 2.98Å; Q59-N107 PolarHBondContact NE2-OD1 3.22Å
60S96.7Very high98.5Very high72 Ų7226.3 Ų26.350%0.50315%0.153SC..SBendtrans-98.5-86.2-178.9164.90000111.3S58 D65 K108S58-S60 PolarHBondContact O-N 2.68Å; S58-S60 PolarHBondContact OG-N 3.44Å; S58-S60 VanDerWaalsContact OG-N 3.12Å; S60-D65 VanDerWaalsContact CB-OD2 3.3Å; S60-D65 WeakPolarHBondContact CB-OD2 3.48Å; S60-D65 PolarHBondContact OG-OD2 3.44Å; S60-K108 WeakPolarHBondContact CB-O 3.4Å
61K97.4Very high98.5Very high133 Ų13325.1 Ų25.158%0.57815%0.147SC*.  trans-134.378.7-176.8-65-179.5-175.3176.80110S63 S64 D65K61-S63 PolarHBondContact O-N 3.46Å; K61-S64 WeakPolarHBondContact CB-OG 3.45Å; K61-S64 PolarHBondContact O-N 2.88Å; K61-S64 PolarHBondContact O-OG 3.49Å; K61-D65 PolarHBondContact N-OD2 2.98Å; K61-D65 WeakPolarHBondContact O-CB 3.43Å; K61-D65 PolarHBondContact O-N 3.46Å
62P97.7Very high98.5Very high30 Ų3025.4 Ų25.420%0.19515%0.149CC..THydrogen-bonded Turntrans-45.5-44.6-176.5-29.531.7000114.5E57 S58 S64 N111 Y156 N159E57-P62 HydrophobicContact CB-CB 4.1Å; E57-P62 HydrophobicContact CB-CG 4Å; E57-P62 HydrophobicContact CG-CB 4.45Å; S58-P62 WeakPolarHBondContact O-CD 3.23Å; S58-P62 WeakPolarHBondContact O-CG 3.43Å; P62-S64 PolarHBondContact O-N 2.83Å; P62-S64 VanDerWaalsContact O-N 3.16Å; P62-N111 VanDerWaalsContact CA-OD1 3.31Å; P62-N111 WeakPolarHBondContact CA-OD1 3.37Å; P62-N111 WeakPolarHBondContact CB-OD1 3.24Å; P62-N111 PolarHBondContact O-ND2 3.25Å; P62-Y156 HydrophobicContact CB-CE1 4.46Å; P62-Y156 WeakPolarHBondContact O-CE1 3.31Å; P62-N159 PolarHBondContact O-ND2 2.95Å
63S97.4Very high98.5Very high98 Ų9825.6 Ų25.669%0.68515%0.151SC*.THydrogen-bonded Turntrans-66.3-16.5-176.458.10000115.3K61 N159K61-S63 PolarHBondContact O-N 3.46Å; S63-N159 PolarHBondContact O-ND2 3.34Å
64S97.7Very high98.4Very high75 Ų7525.8 Ų25.852%0.52415%0.153SC..THydrogen-bonded Turntrans-125.3-20.1179.261.50000114K61 P62K61-S64 WeakPolarHBondContact CB-OG 3.45Å; K61-S64 PolarHBondContact O-N 2.88Å; K61-S64 PolarHBondContact O-OG 3.49Å; P62-S64 PolarHBondContact O-N 2.83Å; P62-S64 VanDerWaalsContact O-N 3.16Å
65D98.7Very high98.3Very high25 Ų2525.8 Ų25.813%0.13415%0.153CC..SBendtrans-71151.1179-69.4-10.7000110.2S58 S60 K61 N111 N159S58-D65 WeakPolarHBondContact CB-OD2 3.33Å; S58-D65 PolarHBondContact OG-OD2 3.43Å; S60-D65 VanDerWaalsContact CB-OD2 3.3Å; S60-D65 WeakPolarHBondContact CB-OD2 3.48Å; S60-D65 PolarHBondContact OG-OD2 3.44Å; K61-D65 PolarHBondContact N-OD2 2.98Å; K61-D65 WeakPolarHBondContact O-CB 3.43Å; K61-D65 PolarHBondContact O-N 3.46Å; D65-N111 PolarHBondContact O-ND2 3.14Å; D65-N159 PolarHBondContact O-ND2 3.26Å
66P98.9Very high98.2Very high11 Ų1125.8 Ų25.87%0.07115%0.153CC..PPolyproline II helixtrans-61.1153.6-175.2-25.937.1000113.4V68 N111 E160 Y162 I466P66-V68 HydrophobicContact CB-CG2 4.33Å; P66-N111 PolarHBondContact O-N 2.88Å; P66-N111 PolarHBondContact O-ND2 2.85Å; P66-E160 CarbonylContact C-O 3.18Å; P66-E160 VanDerWaalsContact CA-O 3.23Å; P66-E160 WeakPolarHBondContact CA-O 3.42Å; P66-E160 HydrophobicContact CB-CB 4.08Å; P66-E160 WeakPolarHBondContact CB-O 3.4Å; P66-E160 HydrophobicContact CG-CB 4.22Å; P66-Y162 HydrophobicContact CB-CD2 3.82Å; P66-Y162 HydrophobicContact CB-CE2 3.9Å; P66-Y162 HydrophobicContact CG-CD2 4.47Å; P66-Y162 HydrophobicContact CG-CE2 4.08Å; P66-I466 HydrophobicContact CG-CG2 3.82Å
67V98.9Very high98.2Very high1 Ų126.5 Ų26.51%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-89.1129.9161.6177.50000108.1N111 F149 F150 Y156 N159 E160 L161 Y162V67-N111 CarbonylContact C-O 3.54Å; V67-N111 WeakPolarHBondContact CA-O 3.3Å; V67-N111 HydrophobicContact CG2-CB 4.37Å; V67-F149 HydrophobicContact CG1-CE1 3.97Å; V67-F149 HydrophobicContact CG1-CZ 4.42Å; V67-F150 HydrophobicContact CG1-CZ 4.38Å; V67-F150 HydrophobicContact CG2-CE1 4.39Å; V67-Y156 HydrophobicContact CG2-CD1 3.87Å; V67-Y156 HydrophobicContact CG2-CG 4.1Å; V67-N159 HydrophobicContact CG2-CB 4.12Å; V67-E160 PolarHBondContact N-O 3.39Å; V67-L161 HydrophobicContact CB-CD1 4.38Å; V67-L161 HydrophobicContact CG1-CD1 4.16Å; V67-L161 CarbonylContact O-C 3.54Å; V67-L161 WeakPolarHBondContact O-CA 3.39Å; V67-Y162 PolarHBondContact O-N 3.31Å
68V98.9Very high98.2Very high0 Ų026.3 Ų26.30%016%0.156CC..EExtended strand (participates in β ladder)trans-125.9112.6-178.1-178.20000108.4P66 A110 N111 M112 L113 Y162 T164 F462 I466P66-V68 HydrophobicContact CB-CG2 4.33Å; V68-A110 HydrophobicContact CB-CB 4.4Å; V68-A110 HydrophobicContact CG2-CB 3.62Å; V68-N111 PolarHBondContact N-O 3.23Å; V68-M112 HydrophobicContact CB-CE 4.16Å; V68-M112 HydrophobicContact CB-SD 3.64Å; V68-M112 HydrophobicContact CG1-CE 3.83Å; V68-M112 HydrophobicContact CG1-SD 3.87Å; V68-M112 HydrophobicContact CG2-SD 4.28Å; V68-M112 WeakPolarHBondContact O-CA 3.43Å; V68-L113 PolarHBondContact O-N 3.13Å; V68-Y162 WeakPolarHBondContact CA-O 3.5Å; V68-T164 HydrophobicContact CG1-CG2 3.76Å; V68-T164 WeakPolarHBondContact CG1-OG1 3.35Å; V68-F462 HydrophobicContact CG1-CE2 4.19Å; V68-F462 HydrophobicContact CG1-CZ 4.46Å; V68-F462 HydrophobicContact CG2-CE2 4.45Å; V68-F462 HydrophobicContact CG2-CZ 4.17Å; V68-I466 HydrophobicContact CG2-CD1 3.95Å
69L99Very high98.2Very high0 Ų026.2 Ų26.20%016%0.156CC..EExtended strand (participates in β ladder)trans-74.9134169.7174.669.6000109L71 L113 L115 L146 Y162 L163 T164 L176L69-L71 HydrophobicContact CD1-CD2 4.15Å; L69-L71 HydrophobicContact CD1-CG 4.43Å; L69-L71 HydrophobicContact CD2-CD1 4.14Å; L69-L71 HydrophobicContact CD2-CD2 4.47Å; L69-L71 HydrophobicContact CD2-CG 4.09Å; L69-L71 HydrophobicContact CG-CD2 4.41Å; L69-L71 HydrophobicContact CG-CG 4.15Å; L69-L113 WeakPolarHBondContact CA-O 3.28Å; L69-L113 HydrophobicContact CD1-CD2 3.99Å; L69-L113 HydrophobicContact CD1-CG 4.04Å; L69-L115 HydrophobicContact CD1-CB 3.77Å; L69-L115 HydrophobicContact CD1-CD2 4.21Å; L69-L146 HydrophobicContact CD2-CD1 4.26Å; L69-L146 HydrophobicContact CD2-CD2 4.33Å; L69-L146 HydrophobicContact CD2-CG 4.49Å; L69-Y162 PolarHBondContact N-O 3.47Å; L69-L163 HydrophobicContact CB-CD2 4.05Å; L69-L163 HydrophobicContact CD2-CD2 3.88Å; L69-T164 CarbonylContact O-C 3.47Å; L69-T164 WeakPolarHBondContact O-CA 3.31Å; L69-T164 WeakPolarHBondContact O-CB 3Å; L69-T164 PolarHBondContact O-N 3.42Å; L69-T164 PolarHBondContact O-OG1 3.32Å; L69-L176 HydrophobicContact CD2-CD2 3.5Å; L69-L176 VanDerWaalsContact CD2-CD2 3.5Å
70W99Very high98.2Very high0 Ų022.8 Ų22.80%014%0.14CC..EExtended strand (participates in β ladder)trans-116.4128.5168.3179.4-96.7000110.9N72 H87 W106 M112 L113 Y114 L115 T164 E166W70-N72 PolarHBondContact NE1-OD1 2.99Å; W70-H87 AromaticContact CD2-CE1 3.53Å; W70-H87 AromaticContact CD2-NE2 3.15Å; W70-H87 AromaticContact CE2-CE1 3.87Å; W70-H87 AromaticContact CE2-NE2 3.29Å; W70-H87 VanDerWaalsContact CE2-NE2 3.29Å; W70-H87 AromaticContact CE3-CE1 3.84Å; W70-H87 AromaticContact CE3-NE2 3.19Å; W70-H87 AromaticContact CG-CE1 3.73Å; W70-H87 AromaticContact CG-NE2 3.86Å; W70-H87 AromaticContact CH2-NE2 3.48Å; W70-H87 WeakPolarHBondContact CH2-NE2 3.44Å; W70-H87 AromaticContact CZ2-NE2 3.47Å; W70-H87 WeakPolarHBondContact CZ2-NE2 3.5Å; W70-H87 AromaticContact CZ3-NE2 3.36Å; W70-H87 WeakPolarHBondContact CZ3-NE2 3.36Å; W70-W106 HydrophobicContact CE3-CH2 4.36Å; W70-W106 AromaticContact CE3-CZ3 3.8Å; W70-W106 HydrophobicContact CE3-CZ3 3.8Å; W70-W106 HydrophobicContact CH2-CH2 4.46Å; W70-W106 AromaticContact CZ3-CH2 3.73Å; W70-W106 HydrophobicContact CZ3-CH2 3.73Å; W70-W106 AromaticContact CZ3-CZ3 3.65Å; W70-W106 HydrophobicContact CZ3-CZ3 3.65Å; W70-M112 HydrophobicContact CB-CE 4.25Å; W70-L113 PolarHBondContact N-O 2.99Å; W70-Y114 HydrophobicContact CB-CD1 3.96Å; W70-Y114 HydrophobicContact CB-CE1 4.14Å; W70-Y114 AromaticContact CD1-CD1 3.54Å; W70-Y114 AromaticContact CD1-CE1 3.78Å; W70-Y114 AromaticContact CG-CD1 3.99Å; W70-Y114 HydrophobicContact CG-CD1 3.99Å; W70-Y114 HydrophobicContact CG-CE1 4.02Å; W70-L115 PolarHBondContact O-N 3.18Å; W70-T164 CarbonylContact C-O 3.45Å; W70-T164 VanDerWaalsContact CA-O 3.29Å; W70-T164 WeakPolarHBondContact CA-O 3.42Å; W70-E166 HydrophobicContact CH2-CB 3.8Å; W70-E166 HydrophobicContact CZ2-CB 3.81Å
71L98.9Very high98.3Very high2 Ų220.4 Ų20.41%0.0112%0.121CC..EExtended strand (participates in β ladder)trans-123.9116172.2-62-179.4000110.4L69 S79 L115 T164 G165 E166 I173 L176L69-L71 HydrophobicContact CD1-CD2 4.15Å; L69-L71 HydrophobicContact CD1-CG 4.43Å; L69-L71 HydrophobicContact CD2-CD1 4.14Å; L69-L71 HydrophobicContact CD2-CD2 4.47Å; L69-L71 HydrophobicContact CD2-CG 4.09Å; L69-L71 HydrophobicContact CG-CD2 4.41Å; L69-L71 HydrophobicContact CG-CG 4.15Å; L71-S79 WeakPolarHBondContact CA-OG 3.25Å; L71-L115 HydrophobicContact CD2-CB 3.84Å; L71-L115 HydrophobicContact CD2-CD2 4.26Å; L71-L115 HydrophobicContact CD2-CG 4.34Å; L71-L115 WeakPolarHBondContact CD2-O 3.36Å; L71-T164 PolarHBondContact N-O 2.83Å; L71-G165 CarbonylContact O-C 3.5Å; L71-G165 WeakPolarHBondContact O-CA 3.49Å; L71-E166 PolarHBondContact O-N 3.45Å; L71-I173 HydrophobicContact CB-CD1 4.21Å; L71-I173 HydrophobicContact CD1-CD1 3.79Å; L71-I173 HydrophobicContact CG-CD1 4.1Å; L71-L176 HydrophobicContact CD1-CD2 4.44Å
72N98.9Very high98.4Very high7 Ų714 Ų144%0.0379%0.094CC..  trans-67.9171.1160.6-76.286.3000109.9W70 S78 S79 G82 E86W70-N72 PolarHBondContact NE1-OD1 2.99Å; N72-S78 WeakPolarHBondContact CB-O 3.38Å; N72-S79 PolarHBondContact N-OG 3.25Å; N72-S79 VanDerWaalsContact N-OG 3.13Å; N72-S79 VanDerWaalsContact OD1-CA 3.25Å; N72-S79 WeakPolarHBondContact OD1-CA 3.48Å; N72-S79 PolarHBondContact OD1-O 3.29Å; N72-G82 WeakPolarHBondContact OD1-CA 2.98Å; N72-G82 PolarHBondContact OD1-N 2.86Å; N72-E86 PolarHBondContact ND2-OE1 3.35Å
73G98Very high98.4Very high4 Ų412.6 Ų12.64%0.0419%0.085CC..  trans-102.6-119.7-172.300000114.8G76 C77 E166G73-G76 PolarHBondContact O-N 2.71Å; G73-C77 PolarHBondContact O-N 2.6Å; G73-E166 WeakPolarHBondContact CA-O 3.38Å; G73-E166 PolarHBondContact N-O 3.42Å
74G96.5Very high98.5Very high4 Ų48 Ų84%0.0415%0.052CC..THydrogen-bonded Turntrans119.3-94.8-175.800000112.6C77 M290 N292G74-C77 VanDerWaalsContact CA-SG 3.53Å; G74-M290 VanDerWaalsContact CA-CE 3.5Å; G74-N292 PolarHBondContact O-ND2 2.97Å
75P96.8Very high98.5Very high0 Ų06.1 Ų6.10%04%0.037CC..THydrogen-bonded Turncis-69.21484.829.3-34.9000111.9Y168 Y172 N359 Y362P75-Y168 HydrophobicContact CB-CD1 3.92Å; P75-Y168 HydrophobicContact CB-CD2 4.47Å; P75-Y168 HydrophobicContact CB-CE1 4.03Å; P75-Y168 HydrophobicContact CB-CG 4.14Å; P75-Y168 HydrophobicContact CG-CD2 4.34Å; P75-Y168 HydrophobicContact CG-CE1 4.42Å; P75-Y168 HydrophobicContact CG-CE2 4.17Å; P75-Y168 HydrophobicContact CG-CG 4.5Å; P75-Y172 WeakPolarHBondContact CA-OH 3.46Å; P75-Y172 WeakPolarHBondContact CB-OH 3.28Å; P75-N359 WeakPolarHBondContact O-CB 3.36Å; P75-N359 PolarHBondContact O-ND2 3.29Å; P75-Y362 HydrophobicContact CB-CD1 3.95Å; P75-Y362 HydrophobicContact CB-CD2 3.7Å; P75-Y362 HydrophobicContact CB-CE1 4.11Å; P75-Y362 HydrophobicContact CB-CE2 3.87Å; P75-Y362 HydrophobicContact CB-CG 3.74Å; P75-Y362 HydrophobicContact CG-CD1 3.68Å; P75-Y362 HydrophobicContact CG-CD2 4.08Å; P75-Y362 HydrophobicContact CG-CE1 4.24Å; P75-Y362 HydrophobicContact CG-CG 3.59Å
76G97.6Very high98.5Very high0 Ų05 Ų50%03%0.032CC..THydrogen-bonded Turntrans99.314.5177.700000115.6G73 V121 C354 S355G73-G76 PolarHBondContact O-N 2.71Å; G76-V121 VanDerWaalsContact CA-CG2 3.5Å; G76-V121 WeakPolarHBondContact O-CG2 3.49Å; G76-C354 CarbonylContact O-C 3.52Å; G76-C354 VanDerWaalsContact O-CA 3.27Å; G76-C354 WeakPolarHBondContact O-CA 3.1Å; G76-S355 PolarHBondContact O-N 3.5Å
77C98.6Very high98.5Very high14 Ų144.5 Ų4.510%0.0953%0.028CC..BIsolated β-bridgetrans-100.5145.7177.4-61.10000112.3G73 G74 V121 M290 I353 C354G73-C77 PolarHBondContact O-N 2.6Å; G74-C77 VanDerWaalsContact CA-SG 3.53Å; C77-V121 VanDerWaalsContact C-CG1 3.4Å; C77-V121 WeakPolarHBondContact O-CG1 3.34Å; C77-M290 WeakPolarHBondContact SG-CE 3.45Å; C77-I353 CarbonylContact C-O 3.57Å; C77-I353 VanDerWaalsContact CA-O 3.27Å; C77-I353 WeakPolarHBondContact CA-O 3.16Å; C77-C354 HydrophobicContact CB-CB 4.08Å; C77-C354 WeakPolarHBondContact CB-SG 3.48Å; C77-C354 WeakPolarHBondContact SG-CB 3.49Å; C77-C354 CovalentContact SG-SG 2.04Å; C77-C354 PolarHBondContact SG-SG 2.81Å
78S98.8Very high98.5Very high0 Ų04.5 Ų4.50%03%0.028CC..  trans-71.7137.4-174165.30000112.5N72 L80 D81 E116 W351 I353N72-S78 WeakPolarHBondContact CB-O 3.38Å; S78-L80 PolarHBondContact O-N 3.38Å; S78-L80 WeakPolarHBondContact OG-CB 3.47Å; S78-L80 PolarHBondContact OG-N 3.18Å; S78-D81 WeakPolarHBondContact O-CB 3.45Å; S78-D81 PolarHBondContact O-N 3.05Å; S78-E116 VanDerWaalsContact CB-OE1 3.24Å; S78-E116 WeakPolarHBondContact CB-OE1 3.34Å; S78-E116 PolarHBondContact OG-OE1 3.44Å; S78-W351 PolarHBondContact OG-NE1 2.92Å; S78-I353 PolarHBondContact N-O 2.84Å
79S98.9Very high98.5Very high1 Ų14.5 Ų4.51%0.0073%0.028CC..THydrogen-bonded Turntrans-74.7-8.2170.9-59.40000113.9L71 N72 D81 G82 L83 Y114 L115L71-S79 WeakPolarHBondContact CA-OG 3.25Å; N72-S79 PolarHBondContact N-OG 3.25Å; N72-S79 VanDerWaalsContact N-OG 3.13Å; N72-S79 VanDerWaalsContact OD1-CA 3.25Å; N72-S79 WeakPolarHBondContact OD1-CA 3.48Å; N72-S79 PolarHBondContact OD1-O 3.29Å; S79-D81 PolarHBondContact O-N 3.4Å; S79-G82 PolarHBondContact O-N 2.89Å; S79-L83 PolarHBondContact O-N 3.43Å; S79-Y114 VanDerWaalsContact O-CD1 3.28Å; S79-Y114 WeakPolarHBondContact O-CD1 3.42Å; S79-L115 WeakPolarHBondContact CB-O 3.3Å; S79-L115 PolarHBondContact OG-O 2.89Å
80L98.9Very high98.5Very high1 Ų14.5 Ų4.51%0.0053%0.028CC..Hα-helixtrans-74.9-13171.2-58.6-172.6000112.2W54 S78 L83 L84 E116 F123 L333W54-L80 HydrophobicContact CB-CD2 3.78Å; W54-L80 HydrophobicContact CD2-CD2 4.43Å; W54-L80 HydrophobicContact CE3-CD1 4.25Å; W54-L80 HydrophobicContact CE3-CD2 3.76Å; S78-L80 PolarHBondContact O-N 3.38Å; S78-L80 WeakPolarHBondContact OG-CB 3.47Å; S78-L80 PolarHBondContact OG-N 3.18Å; L80-L83 HydrophobicContact CD2-CD1 4.23Å; L80-L83 PolarHBondContact O-N 2.82Å; L80-L84 WeakPolarHBondContact O-CB 3.33Å; L80-L84 WeakPolarHBondContact O-CG 3.13Å; L80-L84 PolarHBondContact O-N 2.98Å; L80-E116 HydrophobicContact CD1-CG 4.43Å; L80-E116 HydrophobicContact CG-CG 3.89Å; L80-E116 WeakPolarHBondContact CG-OE1 3.23Å; L80-F123 HydrophobicContact CD1-CD2 4.21Å; L80-F123 HydrophobicContact CD1-CE2 4.25Å; L80-L333 HydrophobicContact CB-CD1 4.19Å; L80-L333 HydrophobicContact CD1-CD1 4.07Å; L80-L333 HydrophobicContact CD1-CD2 4.09Å
81D98.6Very high98.5Very high22 Ų226.5 Ų6.512%0.1184%0.039CC..Hα-helixtrans-61.2-53.9165.1-164.429.4000109.8S78 S79 L83 L84 T85S78-D81 WeakPolarHBondContact O-CB 3.45Å; S78-D81 PolarHBondContact O-N 3.05Å; S79-D81 PolarHBondContact O-N 3.4Å; D81-L83 PolarHBondContact O-N 2.78Å; D81-L84 PolarHBondContact O-N 3.3Å; D81-L84 VanDerWaalsContact O-N 3.08Å; D81-T85 PolarHBondContact O-N 2.92Å; D81-T85 PolarHBondContact O-OG1 3.41Å; D81-T85 VanDerWaalsContact OD1-CG2 3.29Å; D81-T85 WeakPolarHBondContact OD1-CG2 3.23Å; D81-T85 PolarHBondContact OD1-OG1 3.41Å
82G98.8Very high98.5Very high0 Ų07.3 Ų7.30%04%0.043CC..Iπ-helixtrans-57.6-27.4174.900000115.4N72 S79 E86 H87 G88N72-G82 WeakPolarHBondContact OD1-CA 2.98Å; N72-G82 PolarHBondContact OD1-N 2.86Å; S79-G82 PolarHBondContact O-N 2.89Å; G82-E86 WeakPolarHBondContact CA-OE1 3.48Å; G82-E86 PolarHBondContact N-OE1 2.98Å; G82-H87 PolarHBondContact O-N 3.19Å; G82-G88 PolarHBondContact O-N 2.9Å
83L98.9Very high98.4Very high0 Ų09.5 Ų9.50%05%0.053CC..Iπ-helixtrans-73.6-55.7172.5-165.3158.9000111.1W54 S79 L80 D81 G88 F90 Y114W54-L83 HydrophobicContact CB-CD1 3.91Å; W54-L83 HydrophobicContact CD2-CD1 3.48Å; W54-L83 VanDerWaalsContact CD2-CD1 3.48Å; W54-L83 HydrophobicContact CE3-CD1 3.78Å; W54-L83 HydrophobicContact CG-CD1 3.55Å; W54-L83 HydrophobicContact CH2-CD2 4.49Å; W54-L83 HydrophobicContact CZ3-CD1 4.45Å; W54-L83 HydrophobicContact CZ3-CD2 4.43Å; S79-L83 PolarHBondContact O-N 3.43Å; L80-L83 HydrophobicContact CD2-CD1 4.23Å; L80-L83 PolarHBondContact O-N 2.82Å; D81-L83 PolarHBondContact O-N 2.78Å; L83-G88 WeakPolarHBondContact O-CA 3.47Å; L83-G88 PolarHBondContact O-N 2.86Å; L83-G88 VanDerWaalsContact O-N 3.1Å; L83-F90 HydrophobicContact CD2-CD2 3.99Å; L83-F90 HydrophobicContact CD2-CE2 3.52Å; L83-F90 HydrophobicContact CD2-CZ 4.31Å; L83-Y114 HydrophobicContact CB-CD1 3.77Å; L83-Y114 HydrophobicContact CB-CD2 4.22Å; L83-Y114 HydrophobicContact CB-CE1 3.77Å; L83-Y114 HydrophobicContact CB-CE2 4.22Å; L83-Y114 HydrophobicContact CB-CG 3.97Å; L83-Y114 HydrophobicContact CD1-CD2 3.62Å; L83-Y114 HydrophobicContact CD1-CE2 3.94Å; L83-Y114 HydrophobicContact CD1-CG 3.96Å; L83-Y114 HydrophobicContact CG-CD2 4.08Å; L83-Y114 HydrophobicContact CG-CE1 4.4Å; L83-Y114 HydrophobicContact CG-CE2 3.97Å; L83-Y114 HydrophobicContact CG-CG 4.33Å
84L98.8Very high98.4Very high0 Ų016.5 Ų16.50%09%0.089CC..Iπ-helixtrans-88.4-16.6-166.7-66.3177.7000114.5L80 D81 F90 L91 I92 L99 Y332 L333L80-L84 WeakPolarHBondContact O-CB 3.33Å; L80-L84 WeakPolarHBondContact O-CG 3.13Å; L80-L84 PolarHBondContact O-N 2.98Å; D81-L84 PolarHBondContact O-N 3.3Å; D81-L84 VanDerWaalsContact O-N 3.08Å; L84-F90 HydrophobicContact CD2-CD2 4.15Å; L84-F90 HydrophobicContact CD2-CE2 4.34Å; L84-L91 CarbonylContact O-C 3.52Å; L84-L91 WeakPolarHBondContact O-CA 3.47Å; L84-L91 WeakPolarHBondContact O-CB 3.49Å; L84-I92 HydrophobicContact CB-CB 4.31Å; L84-I92 HydrophobicContact CB-CG2 4.03Å; L84-I92 PolarHBondContact O-N 2.9Å; L84-L99 HydrophobicContact CD2-CD2 3.95Å; L84-Y332 HydrophobicContact CD1-CD1 4.18Å; L84-L333 HydrophobicContact CD1-CD1 3.77Å; L84-L333 HydrophobicContact CD1-CD2 3.93Å; L84-L333 HydrophobicContact CD1-CG 3.85Å
85T98.6Very high98.4Very high36 Ų3620.3 Ų20.322%0.22111%0.109CC..Iπ-helixtrans-123.8-22.1-174.371.10000113.1D81 I92 T452D81-T85 PolarHBondContact O-N 2.92Å; D81-T85 PolarHBondContact O-OG1 3.41Å; D81-T85 VanDerWaalsContact OD1-CG2 3.29Å; D81-T85 WeakPolarHBondContact OD1-CG2 3.23Å; D81-T85 PolarHBondContact OD1-OG1 3.41Å; T85-I92 HydrophobicContact CG2-CG2 4.18Å; T85-T452 PolarHBondContact O-OG1 3.07Å; T85-T452 VanDerWaalsContact O-OG1 3.11Å
86E98.8Very high98.5Very high2 Ų220.5 Ų20.51%0.00911%0.11CC..Iπ-helixtrans-107.8-81.7-174.7-48.2-176.3-11300113.3N72 G82 N102 M449 P451 T452N72-E86 PolarHBondContact ND2-OE1 3.35Å; G82-E86 WeakPolarHBondContact CA-OE1 3.48Å; G82-E86 PolarHBondContact N-OE1 2.98Å; E86-N102 PolarHBondContact O-ND2 2.92Å; E86-M449 HydrophobicContact CG-CB 4.45Å; E86-P451 HydrophobicContact CB-CB 3.97Å; E86-P451 HydrophobicContact CB-CG 4.07Å; E86-P451 WeakPolarHBondContact OE2-CD 3.24Å; E86-T452 WeakPolarHBondContact CG-OG1 3.39Å
87H98.9Very high98.5Very high1 Ų124.7 Ų24.71%0.00514%0.136CC..Iπ-helixtrans-132.811.7-167.260.154.8000115W70 G82 S105 W106 Y114 P451W70-H87 AromaticContact CD2-CE1 3.53Å; W70-H87 AromaticContact CD2-NE2 3.15Å; W70-H87 AromaticContact CE2-CE1 3.87Å; W70-H87 AromaticContact CE2-NE2 3.29Å; W70-H87 VanDerWaalsContact CE2-NE2 3.29Å; W70-H87 AromaticContact CE3-CE1 3.84Å; W70-H87 AromaticContact CE3-NE2 3.19Å; W70-H87 AromaticContact CG-CE1 3.73Å; W70-H87 AromaticContact CG-NE2 3.86Å; W70-H87 AromaticContact CH2-NE2 3.48Å; W70-H87 WeakPolarHBondContact CH2-NE2 3.44Å; W70-H87 AromaticContact CZ2-NE2 3.47Å; W70-H87 WeakPolarHBondContact CZ2-NE2 3.5Å; W70-H87 AromaticContact CZ3-NE2 3.36Å; W70-H87 WeakPolarHBondContact CZ3-NE2 3.36Å; G82-H87 PolarHBondContact O-N 3.19Å; H87-S105 VanDerWaalsContact O-CA 3.25Å; H87-S105 WeakPolarHBondContact O-CA 3.25Å; H87-S105 PolarHBondContact O-OG 2.87Å; H87-W106 HydrophobicContact CB-CB 4.43Å; H87-W106 HydrophobicContact CB-CD2 4.06Å; H87-W106 HydrophobicContact CB-CG 3.8Å; H87-W106 AromaticContact CD2-CD2 3.69Å; H87-W106 AromaticContact CD2-CE2 3.69Å; H87-W106 AromaticContact CD2-CE3 3.79Å; H87-W106 AromaticContact CD2-CH2 3.89Å; H87-W106 AromaticContact CD2-CZ2 3.81Å; H87-W106 AromaticContact CD2-CZ3 3.89Å; H87-W106 AromaticContact CE1-CE3 3.98Å; H87-W106 AromaticContact CG-CD2 3.7Å; H87-W106 AromaticContact CG-CE2 3.92Å; H87-W106 AromaticContact CG-CG 3.84Å; H87-W106 AromaticContact NE2-CE3 3.73Å; H87-W106 AromaticContact NE2-CZ3 3.7Å; H87-W106 PolarHBondContact O-N 3.18Å; H87-W106 VanDerWaalsContact O-N 3.07Å; H87-Y114 AromaticContact CE1-CE1 3.45Å; H87-Y114 VanDerWaalsContact CE1-CE1 3.45Å; H87-Y114 WeakPolarHBondContact CE1-CE1 3.33Å; H87-Y114 AromaticContact CE1-CZ 3.75Å; H87-Y114 PolarHBondContact CE1-OH 2.82Å; H87-Y114 AromaticContact ND1-CE1 3.82Å; H87-Y114 AromaticContact ND1-CZ 3.73Å; H87-Y114 PolarHBondContact ND1-OH 2.7Å; H87-P451 HydrophobicContact CB-CB 3.83Å; H87-P451 HydrophobicContact CB-CG 4.4Å
88G98.9Very high98.5Very high0 Ų025.9 Ų25.90%014%0.143CC..SBendtrans-68167.3171.800000113.3G82 L83 F90 N102 S105 Y114G82-G88 PolarHBondContact O-N 2.9Å; L83-G88 WeakPolarHBondContact O-CA 3.47Å; L83-G88 PolarHBondContact O-N 2.86Å; L83-G88 VanDerWaalsContact O-N 3.1Å; G88-F90 PolarHBondContact O-N 2.92Å; G88-N102 WeakPolarHBondContact O-CB 3.3Å; G88-N102 PolarHBondContact O-ND2 3.13Å; G88-N102 VanDerWaalsContact O-ND2 3.11Å; G88-S105 WeakPolarHBondContact O-CB 3.39Å; G88-S105 PolarHBondContact O-OG 3.35Å; G88-Y114 WeakPolarHBondContact CA-OH 3.41Å; G88-Y114 PolarHBondContact N-OH 2.93Å
89P98.8Very high98.5Very high0 Ų026.1 Ų26.10%014%0.144CC..SBendtrans-63.4-21-175.918-29.1000113.9F36 V56 Y101 N102 S105F36-P89 HydrophobicContact CE1-CB 4.25Å; F36-P89 HydrophobicContact CE2-CB 4.1Å; F36-P89 HydrophobicContact CE2-CG 4.08Å; F36-P89 HydrophobicContact CZ-CB 3.43Å; F36-P89 VanDerWaalsContact CZ-CB 3.43Å; F36-P89 HydrophobicContact CZ-CG 3.89Å; V56-P89 HydrophobicContact CB-CG 4.26Å; V56-P89 HydrophobicContact CG1-CG 4.02Å; V56-P89 HydrophobicContact CG2-CG 4.19Å; P89-Y101 WeakPolarHBondContact O-CA 3.32Å; P89-N102 PolarHBondContact O-N 3.38Å; P89-S105 VanDerWaalsContact CA-OG 3.32Å; P89-S105 WeakPolarHBondContact CA-OG 3.49Å; P89-S105 VanDerWaalsContact N-OG 3.08Å
90F98.4Very high98.5Very high0 Ų031.3 Ų31.30%017%0.168CC..EExtended strand (participates in β ladder)trans-144.6139.1179.934.4-100.5000110.1L27 L30 P34 Q38 W54 L83 L84 G88 L99 Q100L27-F90 HydrophobicContact CD2-CD2 4.18Å; L27-F90 HydrophobicContact CD2-CE1 4Å; L27-F90 HydrophobicContact CD2-CE2 3.55Å; L27-F90 HydrophobicContact CD2-CZ 3.48Å; L27-F90 VanDerWaalsContact CD2-CZ 3.48Å; L30-F90 HydrophobicContact CD1-CD1 4.29Å; L30-F90 HydrophobicContact CD2-CB 4.05Å; L30-F90 HydrophobicContact CD2-CD1 4.31Å; L30-F90 HydrophobicContact CD2-CG 4.3Å; P34-F90 HydrophobicContact CG-CE1 4.49Å; Q38-F90 VanDerWaalsContact OE1-CZ 3.25Å; W54-F90 AromaticContact CH2-CE2 3.75Å; W54-F90 HydrophobicContact CH2-CE2 3.75Å; W54-F90 HydrophobicContact CH2-CZ 4.2Å; W54-F90 AromaticContact CZ2-CE2 3.54Å; W54-F90 HydrophobicContact CZ2-CE2 3.54Å; W54-F90 AromaticContact CZ2-CZ 3.5Å; W54-F90 HydrophobicContact CZ2-CZ 3.5Å; L83-F90 HydrophobicContact CD2-CD2 3.99Å; L83-F90 HydrophobicContact CD2-CE2 3.52Å; L83-F90 HydrophobicContact CD2-CZ 4.31Å; L84-F90 HydrophobicContact CD2-CD2 4.15Å; L84-F90 HydrophobicContact CD2-CE2 4.34Å; G88-F90 PolarHBondContact O-N 2.92Å; F90-L99 HydrophobicContact CB-CB 4.18Å; F90-L99 HydrophobicContact CB-CD1 4.46Å; F90-L99 HydrophobicContact CD2-CD1 3.61Å; F90-L99 HydrophobicContact CD2-CD2 4.36Å; F90-L99 HydrophobicContact CD2-CG 4.47Å; F90-L99 HydrophobicContact CE2-CD1 4.11Å; F90-L99 HydrophobicContact CG-CD1 4.11Å; F90-Q100 CarbonylContact C-O 2.98Å; F90-Q100 WeakPolarHBondContact CA-O 3.07Å
91L98.8Very high98.5Very high42 Ų4235.8 Ų35.822%0.2219%0.186CC..EExtended strand (participates in β ladder)trans-110.4136.7-177.9-54.5178.6000110.8L84 Q93 Q100 N102L84-L91 CarbonylContact O-C 3.52Å; L84-L91 WeakPolarHBondContact O-CA 3.47Å; L84-L91 WeakPolarHBondContact O-CB 3.49Å; L91-Q93 PolarHBondContact O-NE2 2.93Å; L91-Q100 PolarHBondContact N-O 2.81Å; L91-Q100 PolarHBondContact O-N 3.05Å; L91-N102 HydrophobicContact CD1-CB 4.32Å; L91-N102 HydrophobicContact CD2-CB 4.46Å; L91-N102 HydrophobicContact CG-CB 4.05Å
92I98.6Very high98.5Very high20 Ų2035.2 Ų35.210%0.10318%0.182CC..EExtended strand (participates in β ladder)trans-68.5137.9175.5-171.756.2000110.6L84 T85 T98 L99 P328 Y332L84-I92 HydrophobicContact CB-CB 4.31Å; L84-I92 HydrophobicContact CB-CG2 4.03Å; L84-I92 PolarHBondContact O-N 2.9Å; T85-I92 HydrophobicContact CG2-CG2 4.18Å; I92-T98 WeakPolarHBondContact CD1-O 3.34Å; I92-L99 HydrophobicContact CB-CD2 4.17Å; I92-L99 HydrophobicContact CD1-CD2 3.96Å; I92-P328 HydrophobicContact CG1-CB 3.98Å; I92-P328 HydrophobicContact CG2-CB 4.49Å; I92-Y332 HydrophobicContact CD1-CD1 4.46Å; I92-Y332 HydrophobicContact CD1-CD2 3.74Å; I92-Y332 HydrophobicContact CD1-CG 3.66Å; I92-Y332 HydrophobicContact CG1-CG 4.5Å
93Q98.3Very high98.5Very high52 Ų5238.7 Ų38.724%0.24321%0.205CC..  trans-97.2163.4177.1-56.5-54.9-71.500111.2L91 D95 G96 T98 Q100 P328L91-Q93 PolarHBondContact O-NE2 2.93Å; Q93-D95 PolarHBondContact O-N 3.48Å; Q93-G96 PolarHBondContact O-N 3.32Å; Q93-T98 HydrophobicContact CG-CG2 4.13Å; Q93-T98 WeakPolarHBondContact CG-O 3.28Å; Q93-T98 PolarHBondContact N-O 3.25Å; Q93-Q100 VanDerWaalsContact CD-CD 3.44Å; Q93-Q100 HydrophobicContact CG-CB 4.45Å; Q93-Q100 HydrophobicContact CG-CG 3.72Å; Q93-Q100 VanDerWaalsContact OE1-CD 3.32Å; Q93-P328 WeakPolarHBondContact O-CB 3.38Å
94D96.8Very high98.4Very high152 Ų15241.4 Ų41.481%0.81322%0.216SC*.THydrogen-bonded Turntrans-55.3-23-175.1-68.1-18.6000114.9G96D94-G96 PolarHBondContact O-N 3.39Å
95D97.7Very high98.4Very high84 Ų8441.4 Ų41.445%0.44922%0.216SC..THydrogen-bonded Turntrans-71.1-12.3176.668.32.8000113.7Q93 V97 T98Q93-D95 PolarHBondContact O-N 3.48Å; D95-V97 PolarHBondContact O-N 2.88Å; D95-V97 PolarHBondContact OD1-N 3.44Å; D95-T98 PolarHBondContact OD1-N 2.94Å; D95-T98 WeakPolarHBondContact OD2-CB 3.47Å; D95-T98 PolarHBondContact OD2-OG1 2.86Å
96G97.9Very high98.5Very high3 Ų339.9 Ų39.93%0.03121%0.206CC..SBendtrans67.119.4-177.400000113.9Q93 D94 P328 Y332Q93-G96 PolarHBondContact O-N 3.32Å; D94-G96 PolarHBondContact O-N 3.39Å; G96-P328 WeakPolarHBondContact CA-O 3.01Å; G96-Y332 VanDerWaalsContact O-CA 3.31Å; G96-Y332 WeakPolarHBondContact O-CA 3.07Å; G96-Y332 WeakPolarHBondContact O-CB 3.41Å; G96-Y332 PolarHBondContact O-N 2.97Å
97V98.3Very high98.5Very high88 Ų8839.8 Ų39.853%0.53321%0.205SC..SBendtrans-133.2-43.9-176178.10000111.6G29 D95G29-V97 WeakPolarHBondContact CA-O 3.47Å; D95-V97 PolarHBondContact O-N 2.88Å; D95-V97 PolarHBondContact OD1-N 3.44Å
98T98.6Very high98.5Very high40 Ų4043.1 Ų43.125%0.24522%0.22CC..  trans-85.9134.6-172.3-59.30000111I92 Q93 D95I92-T98 WeakPolarHBondContact CD1-O 3.34Å; Q93-T98 HydrophobicContact CG-CG2 4.13Å; Q93-T98 WeakPolarHBondContact CG-O 3.28Å; Q93-T98 PolarHBondContact N-O 3.25Å; D95-T98 PolarHBondContact OD1-N 2.94Å; D95-T98 WeakPolarHBondContact OD2-CB 3.47Å; D95-T98 PolarHBondContact OD2-OG1 2.86Å
99L98.8Very high98.5Very high5 Ų544.4 Ų44.43%0.02623%0.227CC..EExtended strand (participates in β ladder)trans-107.1128.5170.1-70.5-174.2000110.3L27 G29 L30 L84 F90 I92 Y332L27-L99 HydrophobicContact CD2-CD1 3.53Å; L27-L99 HydrophobicContact CG-CD1 4.08Å; G29-L99 PolarHBondContact O-N 3.38Å; L30-L99 HydrophobicContact CD2-CB 3.64Å; L30-L99 HydrophobicContact CD2-CD1 4.33Å; L30-L99 HydrophobicContact CG-CB 4.08Å; L30-L99 HydrophobicContact CG-CD1 4.11Å; L84-L99 HydrophobicContact CD2-CD2 3.95Å; F90-L99 HydrophobicContact CB-CB 4.18Å; F90-L99 HydrophobicContact CB-CD1 4.46Å; F90-L99 HydrophobicContact CD2-CD1 3.61Å; F90-L99 HydrophobicContact CD2-CD2 4.36Å; F90-L99 HydrophobicContact CD2-CG 4.47Å; F90-L99 HydrophobicContact CE2-CD1 4.11Å; F90-L99 HydrophobicContact CG-CD1 4.11Å; I92-L99 HydrophobicContact CB-CD2 4.17Å; I92-L99 HydrophobicContact CD1-CD2 3.96Å; L99-Y332 HydrophobicContact CD1-CE1 4.14Å; L99-Y332 HydrophobicContact CD1-CE2 4.11Å; L99-Y332 WeakPolarHBondContact CD1-OH 3.26Å; L99-Y332 HydrophobicContact CD2-CE1 4.23Å; L99-Y332 HydrophobicContact CD2-CE2 4.19Å; L99-Y332 HydrophobicContact CG-CE1 4.42Å; L99-Y332 HydrophobicContact CG-CE2 3.86Å
100Q98.6Very high98.5Very high109 Ų10944.4 Ų44.451%0.50923%0.227SC..EExtended strand (participates in β ladder)trans-109.3136.9174.3-69.7-171.922.500111.5F90 L91 Q93 N102F90-Q100 CarbonylContact C-O 2.98Å; F90-Q100 WeakPolarHBondContact CA-O 3.07Å; L91-Q100 PolarHBondContact N-O 2.81Å; L91-Q100 PolarHBondContact O-N 3.05Å; Q93-Q100 VanDerWaalsContact CD-CD 3.44Å; Q93-Q100 HydrophobicContact CG-CB 4.45Å; Q93-Q100 HydrophobicContact CG-CG 3.72Å; Q93-Q100 VanDerWaalsContact OE1-CD 3.32Å; Q100-N102 PolarHBondContact O-N 2.66Å
101Y98.7Very high98.5Very high96 Ų9644.4 Ų44.438%0.37623%0.227SC..EExtended strand (participates in β ladder)trans-60.9133.9176.6-82.4-89.8000111.8L30 K32 P34 F36 P89 P103L30-Y101 HydrophobicContact CD2-CD2 4.41Å; L30-Y101 HydrophobicContact CD2-CE2 3.97Å; K32-Y101 WeakPolarHBondContact O-CE2 3.33Å; K32-Y101 PolarHBondContact O-OH 3.05Å; P34-Y101 VanDerWaalsContact CA-OH 3.24Å; P34-Y101 WeakPolarHBondContact CA-OH 3.43Å; F36-Y101 HydrophobicContact CE1-CE1 4.45Å; P89-Y101 WeakPolarHBondContact O-CA 3.32Å; Y101-P103 WeakPolarHBondContact O-CD 3.4Å
102N98.6Very high98.5Very high9 Ų942.4 Ų42.45%0.04822%0.216CC..  trans-89.5113.5176.6-173.4-7000110.8E86 G88 P89 L91 Q100 Y104 S105E86-N102 PolarHBondContact O-ND2 2.92Å; G88-N102 WeakPolarHBondContact O-CB 3.3Å; G88-N102 PolarHBondContact O-ND2 3.13Å; G88-N102 VanDerWaalsContact O-ND2 3.11Å; P89-N102 PolarHBondContact O-N 3.38Å; L91-N102 HydrophobicContact CD1-CB 4.32Å; L91-N102 HydrophobicContact CD2-CB 4.46Å; L91-N102 HydrophobicContact CG-CB 4.05Å; Q100-N102 PolarHBondContact O-N 2.66Å; N102-Y104 PolarHBondContact O-N 3.5Å; N102-Y104 VanDerWaalsContact O-N 3.17Å; N102-Y104 PolarHBondContact OD1-N 3.02Å; N102-S105 PolarHBondContact O-N 3.06Å
103P98Very high98.5Very high73 Ų7341.5 Ų41.547%0.47421%0.211SC..THydrogen-bonded Turntrans-68-11.7177.326.8-32.2000113.7Y101 K108Y101-P103 WeakPolarHBondContact O-CD 3.4Å; P103-K108 WeakPolarHBondContact O-CE 3.43Å; P103-K108 PolarHBondContact O-NZ 3.31Å
104Y98.4Very high98.5Very high58 Ų5839 Ų3923%0.22720%0.2CC..THydrogen-bonded Turntrans-116.920.6-179-51.5-67.4000112.5N102 W106 P455 V456 F459N102-Y104 PolarHBondContact O-N 3.5Å; N102-Y104 VanDerWaalsContact O-N 3.17Å; N102-Y104 PolarHBondContact OD1-N 3.02Å; Y104-W106 PolarHBondContact O-N 2.85Å; Y104-P455 HydrophobicContact CD2-CB 3.69Å; Y104-P455 HydrophobicContact CD2-CG 4.09Å; Y104-P455 HydrophobicContact CG-CB 4.06Å; Y104-V456 HydrophobicContact CD1-CB 4.44Å; Y104-V456 HydrophobicContact CD1-CG1 4.48Å; Y104-V456 HydrophobicContact CD1-CG2 4.25Å; Y104-V456 HydrophobicContact CD2-CG2 4.35Å; Y104-V456 HydrophobicContact CE1-CB 4.17Å; Y104-V456 HydrophobicContact CE1-CG1 4.01Å; Y104-V456 HydrophobicContact CE1-CG2 3.71Å; Y104-V456 HydrophobicContact CE2-CG2 3.8Å; Y104-V456 VanDerWaalsContact CZ-CG2 3.46Å; Y104-F459 WeakPolarHBondContact O-CD2 3.43Å
105S98.9Very high98.6Very high0 Ų031.8 Ų31.80%016%0.161CC..  trans-59.2137.5177.5-175.80000112.1H87 G88 P89 N102 N107 K108 F459H87-S105 VanDerWaalsContact O-CA 3.25Å; H87-S105 WeakPolarHBondContact O-CA 3.25Å; H87-S105 PolarHBondContact O-OG 2.87Å; G88-S105 WeakPolarHBondContact O-CB 3.39Å; G88-S105 PolarHBondContact O-OG 3.35Å; P89-S105 VanDerWaalsContact CA-OG 3.32Å; P89-S105 WeakPolarHBondContact CA-OG 3.49Å; P89-S105 VanDerWaalsContact N-OG 3.08Å; N102-S105 PolarHBondContact O-N 3.06Å; S105-N107 WeakPolarHBondContact CB-OD1 3.22Å; S105-N107 PolarHBondContact O-N 3.07Å; S105-N107 PolarHBondContact OG-N 3.35Å; S105-N107 PolarHBondContact OG-OD1 3.33Å; S105-K108 WeakPolarHBondContact O-CB 3.19Å; S105-K108 VanDerWaalsContact O-CG 3.32Å; S105-K108 WeakPolarHBondContact O-CG 3.21Å; S105-K108 PolarHBondContact O-N 3.47Å; S105-F459 VanDerWaalsContact O-CE2 3.24Å; S105-F459 WeakPolarHBondContact O-CE2 3.17Å
106W98.9Very high98.7Very high3 Ų327.8 Ų27.81%0.01114%0.14CC..G310 helixtrans-65.9-25.4176.2-72.616000112.2W70 H87 Y104 K108 I109 M112 P451 F462W70-W106 HydrophobicContact CE3-CH2 4.36Å; W70-W106 AromaticContact CE3-CZ3 3.8Å; W70-W106 HydrophobicContact CE3-CZ3 3.8Å; W70-W106 HydrophobicContact CH2-CH2 4.46Å; W70-W106 AromaticContact CZ3-CH2 3.73Å; W70-W106 HydrophobicContact CZ3-CH2 3.73Å; W70-W106 AromaticContact CZ3-CZ3 3.65Å; W70-W106 HydrophobicContact CZ3-CZ3 3.65Å; H87-W106 HydrophobicContact CB-CB 4.43Å; H87-W106 HydrophobicContact CB-CD2 4.06Å; H87-W106 HydrophobicContact CB-CG 3.8Å; H87-W106 AromaticContact CD2-CD2 3.69Å; H87-W106 AromaticContact CD2-CE2 3.69Å; H87-W106 AromaticContact CD2-CE3 3.79Å; H87-W106 AromaticContact CD2-CH2 3.89Å; H87-W106 AromaticContact CD2-CZ2 3.81Å; H87-W106 AromaticContact CD2-CZ3 3.89Å; H87-W106 AromaticContact CE1-CE3 3.98Å; H87-W106 AromaticContact CG-CD2 3.7Å; H87-W106 AromaticContact CG-CE2 3.92Å; H87-W106 AromaticContact CG-CG 3.84Å; H87-W106 AromaticContact NE2-CE3 3.73Å; H87-W106 AromaticContact NE2-CZ3 3.7Å; H87-W106 PolarHBondContact O-N 3.18Å; H87-W106 VanDerWaalsContact O-N 3.07Å; Y104-W106 PolarHBondContact O-N 2.85Å; W106-K108 PolarHBondContact O-N 3.1Å; W106-I109 PolarHBondContact O-N 3.49Å; W106-M112 HydrophobicContact CB-CE 4.13Å; W106-M112 HydrophobicContact CB-CG 4.28Å; W106-M112 HydrophobicContact CB-SD 3.78Å; W106-M112 HydrophobicContact CE3-CE 3.81Å; W106-P451 HydrophobicContact CZ2-CG 4.23Å; W106-F462 HydrophobicContact CB-CD1 3.89Å; W106-F462 HydrophobicContact CB-CE1 3.58Å; W106-F462 HydrophobicContact CB-CZ 3.95Å; W106-F462 AromaticContact CD1-CD1 3.96Å; W106-F462 HydrophobicContact CD2-CB 4.1Å; W106-F462 AromaticContact CD2-CD1 3.88Å; W106-F462 HydrophobicContact CD2-CD1 3.88Å; W106-F462 AromaticContact CD2-CD2 3.63Å; W106-F462 HydrophobicContact CD2-CD2 3.63Å; W106-F462 HydrophobicContact CD2-CE1 4.18Å; W106-F462 AromaticContact CD2-CE2 3.94Å; W106-F462 HydrophobicContact CD2-CE2 3.94Å; W106-F462 AromaticContact CD2-CG 3.59Å; W106-F462 HydrophobicContact CD2-CG 3.59Å; W106-F462 HydrophobicContact CD2-CZ 4.2Å; W106-F462 AromaticContact CE2-CG 3.8Å; W106-F462 HydrophobicContact CE3-CD1 4.41Å; W106-F462 AromaticContact CE3-CD2 3.45Å; W106-F462 HydrophobicContact CE3-CD2 3.45Å; W106-F462 VanDerWaalsContact CE3-CD2 3.45Å; W106-F462 HydrophobicContact CE3-CE1 4.44Å; W106-F462 AromaticContact CE3-CE2 3.48Å; W106-F462 HydrophobicContact CE3-CE2 3.48Å; W106-F462 VanDerWaalsContact CE3-CE2 3.48Å; W106-F462 AromaticContact CE3-CG 3.94Å; W106-F462 HydrophobicContact CE3-CG 3.94Å; W106-F462 AromaticContact CE3-CZ 3.99Å; W106-F462 HydrophobicContact CE3-CZ 3.99Å; W106-F462 HydrophobicContact CG-CB 4.44Å; W106-F462 AromaticContact CG-CD1 3.62Å; W106-F462 HydrophobicContact CG-CD1 3.62Å; W106-F462 HydrophobicContact CG-CD2 4.26Å; W106-F462 AromaticContact CG-CE1 3.83Å; W106-F462 HydrophobicContact CG-CE1 3.83Å; W106-F462 HydrophobicContact CG-CE2 4.43Å; W106-F462 AromaticContact CG-CG 3.85Å; W106-F462 HydrophobicContact CG-CG 3.85Å; W106-F462 HydrophobicContact CG-CZ 4.22Å; W106-F462 HydrophobicContact CH2-CD2 4.16Å; W106-F462 HydrophobicContact CZ2-CB 4.07Å; W106-F462 HydrophobicContact CZ2-CD2 4.29Å; W106-F462 HydrophobicContact CZ2-CG 4.33Å; W106-F462 AromaticContact CZ3-CD2 3.74Å; W106-F462 HydrophobicContact CZ3-CD2 3.74Å; W106-F462 AromaticContact CZ3-CE2 3.98Å; W106-F462 HydrophobicContact CZ3-CE2 3.98Å; W106-F462 HydrophobicContact CZ3-CG 4.46Å; W106-F462 WeakPolarHBondContact O-CE1 3.39Å
107N98.9Very high98.7Very high0 Ų027.9 Ų27.90%014%0.14CC..G310 helixtrans-68.7-0.6176.295-48.7000113.7F36 V56 E57 S58 Q59 S105 I109 A110 M112F36-N107 WeakPolarHBondContact CE2-ND2 3.48Å; V56-N107 HydrophobicContact CG2-CB 3.76Å; E57-N107 PolarHBondContact O-ND2 2.85Å; S58-N107 CarbonylContact C-O 3.6Å; S58-N107 WeakPolarHBondContact CA-O 3.28Å; Q59-N107 PolarHBondContact N-O 2.98Å; Q59-N107 PolarHBondContact NE2-OD1 3.22Å; S105-N107 WeakPolarHBondContact CB-OD1 3.22Å; S105-N107 PolarHBondContact O-N 3.07Å; S105-N107 PolarHBondContact OG-N 3.35Å; S105-N107 PolarHBondContact OG-OD1 3.33Å; N107-I109 PolarHBondContact O-N 2.98Å; N107-A110 CarbonylContact C-O 3.49Å; N107-A110 WeakPolarHBondContact CA-O 3.41Å; N107-M112 HydrophobicContact CB-CB 4.41Å; N107-M112 HydrophobicContact CB-CG 3.78Å
108K98.8Very high98.7Very high72 Ų7223.7 Ų23.731%0.31312%0.115SC..G310 helixtrans-62.7-25.2171-75-172.8165-158.30113.9S60 P103 S105 W106 F459S60-K108 WeakPolarHBondContact CB-O 3.4Å; P103-K108 WeakPolarHBondContact O-CE 3.43Å; P103-K108 PolarHBondContact O-NZ 3.31Å; S105-K108 WeakPolarHBondContact O-CB 3.19Å; S105-K108 VanDerWaalsContact O-CG 3.32Å; S105-K108 WeakPolarHBondContact O-CG 3.21Å; S105-K108 PolarHBondContact O-N 3.47Å; W106-K108 PolarHBondContact O-N 3.1Å; K108-F459 HydrophobicContact CB-CE2 3.94Å; K108-F459 HydrophobicContact CB-CZ 3.87Å; K108-F459 HydrophobicContact CD-CE2 4.45Å; K108-F459 HydrophobicContact CD-CZ 4.15Å
109I98.8Very high98.7Very high27 Ų2722 Ų2214%0.13810%0.104CC..SBendtrans-135.87.5-174.963.8165.4000113.5W106 N107 F459 F462 T463 I466W106-I109 PolarHBondContact O-N 3.49Å; N107-I109 PolarHBondContact O-N 2.98Å; I109-F459 HydrophobicContact CG1-CE2 4.48Å; I109-F459 HydrophobicContact CG2-CZ 4.37Å; I109-F462 HydrophobicContact CD1-CD1 3.96Å; I109-F462 HydrophobicContact CD1-CE1 3.87Å; I109-F462 HydrophobicContact CG1-CD1 4.21Å; I109-F462 HydrophobicContact CG1-CE1 3.73Å; I109-T463 HydrophobicContact CD1-CG2 4.1Å; I109-I466 HydrophobicContact CD1-CB 4.31Å; I109-I466 HydrophobicContact CD1-CG2 4.4Å
110A98.9Very high98.6Very high0 Ų022 Ų220%011%0.105CC..SBendtrans-151.7151.3-174.300000110.7S58 V68 N107 M112 F462S58-A110 WeakPolarHBondContact CA-O 3.26Å; S58-A110 PolarHBondContact OG-N 3.11Å; V68-A110 HydrophobicContact CB-CB 4.4Å; V68-A110 HydrophobicContact CG2-CB 3.62Å; N107-A110 CarbonylContact C-O 3.49Å; N107-A110 WeakPolarHBondContact CA-O 3.41Å; A110-M112 HydrophobicContact CB-SD 3.99Å; A110-F462 HydrophobicContact CB-CE1 4.25Å; A110-F462 HydrophobicContact CB-CZ 3.91Å
111N98.9Very high98.6Very high0 Ų016.8 Ų16.80%08%0.081CC..EExtended strand (participates in β ladder)trans-85.1108.4167-52.1-73.8000107.9F55 V56 E57 S58 P62 D65 P66 V67 V68 Y156F55-N111 HydrophobicContact CE2-CB 3.52Å; F55-N111 HydrophobicContact CZ-CB 3.55Å; V56-N111 CarbonylContact O-C 3.59Å; V56-N111 WeakPolarHBondContact O-CA 3.14Å; E57-N111 WeakPolarHBondContact CA-OD1 3.43Å; S58-N111 PolarHBondContact N-OD1 3.2Å; P62-N111 VanDerWaalsContact CA-OD1 3.31Å; P62-N111 WeakPolarHBondContact CA-OD1 3.37Å; P62-N111 WeakPolarHBondContact CB-OD1 3.24Å; P62-N111 PolarHBondContact O-ND2 3.25Å; D65-N111 PolarHBondContact O-ND2 3.14Å; P66-N111 PolarHBondContact O-N 2.88Å; P66-N111 PolarHBondContact O-ND2 2.85Å; V67-N111 CarbonylContact C-O 3.54Å; V67-N111 WeakPolarHBondContact CA-O 3.3Å; V67-N111 HydrophobicContact CG2-CB 4.37Å; V68-N111 PolarHBondContact N-O 3.23Å; N111-Y156 HydrophobicContact CB-CE1 4.25Å
112M98.9Very high98.6Very high0 Ų012.5 Ų12.50%07%0.065CC..EExtended strand (participates in β ladder)trans-93.5124.7-172.8-61.1-65-56.900110.4F55 V56 V68 W70 W106 N107 A110 Y114 F462F55-M112 CarbonylContact C-O 3.59Å; F55-M112 WeakPolarHBondContact CA-O 3.34Å; F55-M112 WeakPolarHBondContact CD2-O 3.38Å; V56-M112 HydrophobicContact CG2-CB 3.71Å; V56-M112 HydrophobicContact CG2-CG 4.45Å; V56-M112 PolarHBondContact N-O 2.57Å; V56-M112 PolarHBondContact O-N 3.13Å; V68-M112 HydrophobicContact CB-CE 4.16Å; V68-M112 HydrophobicContact CB-SD 3.64Å; V68-M112 HydrophobicContact CG1-CE 3.83Å; V68-M112 HydrophobicContact CG1-SD 3.87Å; V68-M112 HydrophobicContact CG2-SD 4.28Å; V68-M112 WeakPolarHBondContact O-CA 3.43Å; W70-M112 HydrophobicContact CB-CE 4.25Å; W106-M112 HydrophobicContact CB-CE 4.13Å; W106-M112 HydrophobicContact CB-CG 4.28Å; W106-M112 HydrophobicContact CB-SD 3.78Å; W106-M112 HydrophobicContact CE3-CE 3.81Å; N107-M112 HydrophobicContact CB-CB 4.41Å; N107-M112 HydrophobicContact CB-CG 3.78Å; A110-M112 HydrophobicContact CB-SD 3.99Å; M112-Y114 HydrophobicContact CB-CD2 4.21Å; M112-Y114 HydrophobicContact CB-CE2 3.57Å; M112-Y114 HydrophobicContact CG-CE2 4.47Å; M112-F462 HydrophobicContact SD-CZ 4.08Å
113L98.9Very high98.6Very high0 Ų012 Ų120%06%0.063CC..EExtended strand (participates in β ladder)trans-105.8106.8173.6175.262.5000109.1Y53 F55 V68 L69 W70 L146 F149Y53-L113 HydrophobicContact CD2-CD1 3.72Å; Y53-L113 HydrophobicContact CG-CD1 4.13Å; F55-L113 HydrophobicContact CB-CD1 4.14Å; F55-L113 HydrophobicContact CD2-CB 4.06Å; F55-L113 HydrophobicContact CD2-CD1 4.42Å; V68-L113 PolarHBondContact O-N 3.13Å; L69-L113 WeakPolarHBondContact CA-O 3.28Å; L69-L113 HydrophobicContact CD1-CD2 3.99Å; L69-L113 HydrophobicContact CD1-CG 4.04Å; W70-L113 PolarHBondContact N-O 2.99Å; L113-L146 HydrophobicContact CD2-CD2 4.06Å; L113-F149 HydrophobicContact CD1-CD2 3.93Å; L113-F149 HydrophobicContact CD1-CE2 3.96Å; L113-F149 HydrophobicContact CD2-CB 4.38Å; L113-F149 HydrophobicContact CD2-CD1 4.16Å; L113-F149 HydrophobicContact CD2-CD2 3.86Å; L113-F149 HydrophobicContact CD2-CE1 4.48Å; L113-F149 HydrophobicContact CD2-CE2 4.19Å; L113-F149 HydrophobicContact CD2-CG 3.85Å; L113-F149 HydrophobicContact CD2-CZ 4.49Å
114Y99Very high98.7Very high0 Ų08.6 Ų8.60%04%0.041CC..EExtended strand (participates in β ladder)trans-91.5116.9172.2-62.1-94.5000108.4Y53 W54 V56 W70 S79 L83 H87 G88 M112Y53-Y114 CarbonylContact C-O 3.59Å; Y53-Y114 WeakPolarHBondContact CA-O 3.39Å; W54-Y114 PolarHBondContact N-O 2.83Å; W54-Y114 WeakPolarHBondContact O-CB 3.48Å; W54-Y114 WeakPolarHBondContact O-CD2 3.42Å; W54-Y114 PolarHBondContact O-N 2.82Å; V56-Y114 HydrophobicContact CG2-CE2 3.94Å; W70-Y114 HydrophobicContact CB-CD1 3.96Å; W70-Y114 HydrophobicContact CB-CE1 4.14Å; W70-Y114 AromaticContact CD1-CD1 3.54Å; W70-Y114 AromaticContact CD1-CE1 3.78Å; W70-Y114 AromaticContact CG-CD1 3.99Å; W70-Y114 HydrophobicContact CG-CD1 3.99Å; W70-Y114 HydrophobicContact CG-CE1 4.02Å; S79-Y114 VanDerWaalsContact O-CD1 3.28Å; S79-Y114 WeakPolarHBondContact O-CD1 3.42Å; L83-Y114 HydrophobicContact CB-CD1 3.77Å; L83-Y114 HydrophobicContact CB-CD2 4.22Å; L83-Y114 HydrophobicContact CB-CE1 3.77Å; L83-Y114 HydrophobicContact CB-CE2 4.22Å; L83-Y114 HydrophobicContact CB-CG 3.97Å; L83-Y114 HydrophobicContact CD1-CD2 3.62Å; L83-Y114 HydrophobicContact CD1-CE2 3.94Å; L83-Y114 HydrophobicContact CD1-CG 3.96Å; L83-Y114 HydrophobicContact CG-CD2 4.08Å; L83-Y114 HydrophobicContact CG-CE1 4.4Å; L83-Y114 HydrophobicContact CG-CE2 3.97Å; L83-Y114 HydrophobicContact CG-CG 4.33Å; H87-Y114 AromaticContact CE1-CE1 3.45Å; H87-Y114 VanDerWaalsContact CE1-CE1 3.45Å; H87-Y114 WeakPolarHBondContact CE1-CE1 3.33Å; H87-Y114 AromaticContact CE1-CZ 3.75Å; H87-Y114 PolarHBondContact CE1-OH 2.82Å; H87-Y114 AromaticContact ND1-CE1 3.82Å; H87-Y114 AromaticContact ND1-CZ 3.73Å; H87-Y114 PolarHBondContact ND1-OH 2.7Å; G88-Y114 WeakPolarHBondContact CA-OH 3.41Å; G88-Y114 PolarHBondContact N-OH 2.93Å; M112-Y114 HydrophobicContact CB-CD2 4.21Å; M112-Y114 HydrophobicContact CB-CE2 3.57Å; M112-Y114 HydrophobicContact CG-CE2 4.47Å
115L98.9Very high98.6Very high1 Ų16.9 Ų6.91%0.0053%0.034CC..EExtended strand (participates in β ladder)trans-115.2115.1-175.7-17865.8000109.9L43 L51 L69 W70 L71 S79 S117 A145L43-L115 HydrophobicContact CD1-CD1 3.81Å; L51-L115 HydrophobicContact CB-CD1 3.86Å; L69-L115 HydrophobicContact CD1-CB 3.77Å; L69-L115 HydrophobicContact CD1-CD2 4.21Å; W70-L115 PolarHBondContact O-N 3.18Å; L71-L115 HydrophobicContact CD2-CB 3.84Å; L71-L115 HydrophobicContact CD2-CD2 4.26Å; L71-L115 HydrophobicContact CD2-CG 4.34Å; L71-L115 WeakPolarHBondContact CD2-O 3.36Å; S79-L115 WeakPolarHBondContact CB-O 3.3Å; S79-L115 PolarHBondContact OG-O 2.89Å; L115-S117 PolarHBondContact O-N 3.29Å; L115-A145 HydrophobicContact CD2-CB 4.13Å
116E98.9Very high98.6Very high0 Ų06.9 Ų6.90%03%0.034CC..  trans-75107.2173.8-61.1-165.5116.500108.9H52 S78 L80 G122 F123 S124 W351H52-E116 HydrophobicContact CB-CB 4.36Å; H52-E116 IonicContact CG-OE2 2.79Å; H52-E116 IonicContact ND1-OE2 3.74Å; H52-E116 PolarHBondContact ND1-OE2 3.21Å; H52-E116 VanDerWaalsContact ND1-OE2 3.15Å; H52-E116 PolarHBondContact O-N 3.42Å; S78-E116 VanDerWaalsContact CB-OE1 3.24Å; S78-E116 WeakPolarHBondContact CB-OE1 3.34Å; S78-E116 PolarHBondContact OG-OE1 3.44Å; L80-E116 HydrophobicContact CD1-CG 4.43Å; L80-E116 HydrophobicContact CG-CG 3.89Å; L80-E116 WeakPolarHBondContact CG-OE1 3.23Å; E116-G122 WeakPolarHBondContact OE1-CA 3.49Å; E116-F123 WeakPolarHBondContact OE2-CB 3.33Å; E116-F123 PolarHBondContact OE2-N 3.48Å; E116-S124 WeakPolarHBondContact CB-OG 3.44Å; E116-S124 PolarHBondContact O-OG 2.73Å; E116-W351 PolarHBondContact OE1-NE1 2.92Å
117S98.8Very high98.5Very high4 Ų411.8 Ų11.83%0.0286%0.061CC..  trans-141.8143.1-173.9176.40000111.1L115 N142L115-S117 PolarHBondContact O-N 3.29Å; S117-N142 VanDerWaalsContact CB-OD1 3.26Å; S117-N142 WeakPolarHBondContact CB-OD1 3.38Å; S117-N142 VanDerWaalsContact OG-CG 3.31Å; S117-N142 PolarHBondContact OG-ND2 3.44Å; S117-N142 PolarHBondContact OG-OD1 3.05Å
118P98.4Very high98.4Very high1 Ų116.8 Ų16.81%0.0069%0.087CC..SBendcis-79.3-171.30.733.3-39.4000114.8V121 T133 V138 V358P118-V121 HydrophobicContact CG-CG2 4.18Å; P118-V121 WeakPolarHBondContact O-CB 3.27Å; P118-V121 VanDerWaalsContact O-CG2 3.27Å; P118-V121 WeakPolarHBondContact O-CG2 3.31Å; P118-V121 PolarHBondContact O-N 3.27Å; P118-T133 HydrophobicContact CB-CG2 4.03Å; P118-T133 HydrophobicContact CG-CG2 3.79Å; P118-V138 HydrophobicContact CB-CG1 4.47Å; P118-V138 HydrophobicContact CB-CG2 3.72Å; P118-V138 HydrophobicContact CG-CG2 4.04Å; P118-V358 HydrophobicContact CG-CG1 3.6Å
119V97.5Very high98.1Very high5 Ų519.1 Ų19.13%0.0310%0.097CC..THydrogen-bonded Turntrans-56.7143.2170.7-700000111.1K49 L51 V121 Y125 Y131 V358K49-V119 HydrophobicContact CB-CG1 3.63Å; K49-V119 HydrophobicContact CD-CG1 4.45Å; K49-V119 HydrophobicContact CD-CG2 4.37Å; K49-V119 HydrophobicContact CG-CG1 3.89Å; K49-V119 HydrophobicContact CG-CG2 4.24Å; L51-V119 HydrophobicContact CD2-CB 4.48Å; L51-V119 HydrophobicContact CD2-CG1 3.68Å; L51-V119 HydrophobicContact CG-CG1 4.42Å; V119-V121 VanDerWaalsContact C-N 3.32Å; V119-Y125 VanDerWaalsContact CG1-O 3.31Å; V119-Y125 WeakPolarHBondContact CG1-O 3.33Å; V119-Y131 HydrophobicContact CB-CD1 4.33Å; V119-Y131 HydrophobicContact CG2-CD1 4.23Å; V119-V358 WeakPolarHBondContact O-CG2 3.32Å
120G97.1Very high97.9Very high4 Ų422 Ų224%0.04111%0.113CC..THydrogen-bonded Turntrans87.7-5-171.500000114S124 Y131 S355G120-S124 VanDerWaalsContact CA-O 3.28Å; G120-S124 WeakPolarHBondContact CA-O 3.32Å; G120-S124 PolarHBondContact N-O 2.77Å; G120-Y131 VanDerWaalsContact CA-CD1 3.49Å; G120-S355 WeakPolarHBondContact O-CB 3.47Å; G120-S355 PolarHBondContact O-OG 3.04Å
121V98.6Very high97.7Very high0 Ų022.2 Ų22.20%011%0.114CC..SBendtrans-93128.9173.3178.20000110.6G76 C77 P118 V119 F123 S124 V358G76-V121 VanDerWaalsContact CA-CG2 3.5Å; G76-V121 WeakPolarHBondContact O-CG2 3.49Å; C77-V121 VanDerWaalsContact C-CG1 3.4Å; C77-V121 WeakPolarHBondContact O-CG1 3.34Å; P118-V121 HydrophobicContact CG-CG2 4.18Å; P118-V121 WeakPolarHBondContact O-CB 3.27Å; P118-V121 VanDerWaalsContact O-CG2 3.27Å; P118-V121 WeakPolarHBondContact O-CG2 3.31Å; P118-V121 PolarHBondContact O-N 3.27Å; V119-V121 VanDerWaalsContact C-N 3.32Å; V121-F123 PolarHBondContact O-N 2.89Å; V121-S124 VanDerWaalsContact O-CB 3.25Å; V121-S124 WeakPolarHBondContact O-CB 3.25Å; V121-S124 PolarHBondContact O-N 3.1Å; V121-V358 HydrophobicContact CG2-CB 4.48Å; V121-V358 HydrophobicContact CG2-CG1 4.29Å; V121-V358 HydrophobicContact CG2-CG2 4.16Å
122G98.4Very high97.6Very high5 Ų529 Ų295%0.05214%0.144CC..THydrogen-bonded Turntrans57.3-120178.700000111.4E116E116-G122 WeakPolarHBondContact OE1-CA 3.49Å
123F98.8Very high97.5Very high0 Ų029.4 Ų29.40%015%0.146CC..THydrogen-bonded Turntrans-93-4176.1-62-56.7000114.5Y42 H52 L80 E116 V121 L333 K339 L342 I344 A348 W351Y42-F123 VanDerWaalsContact CE1-O 3.29Å; Y42-F123 WeakPolarHBondContact CE1-O 3.32Å; Y42-F123 PolarHBondContact OH-O 3.38Å; H52-F123 HydrophobicContact CB-CB 3.85Å; L80-F123 HydrophobicContact CD1-CD2 4.21Å; L80-F123 HydrophobicContact CD1-CE2 4.25Å; E116-F123 WeakPolarHBondContact OE2-CB 3.33Å; E116-F123 PolarHBondContact OE2-N 3.48Å; V121-F123 PolarHBondContact O-N 2.89Å; F123-L333 HydrophobicContact CE2-CB 4.25Å; F123-L333 HydrophobicContact CE2-CD2 4.24Å; F123-L333 HydrophobicContact CZ-CB 4.01Å; F123-L333 WeakPolarHBondContact CZ-O 3.46Å; F123-K339 HydrophobicContact CE1-CD 4.3Å; F123-K339 HydrophobicContact CE1-CG 4.28Å; F123-K339 HydrophobicContact CZ-CG 4.27Å; F123-L342 HydrophobicContact CE2-CD1 4.48Å; F123-I344 HydrophobicContact CB-CD1 3.93Å; F123-I344 HydrophobicContact CB-CG2 4.27Å; F123-I344 HydrophobicContact CD1-CB 4.48Å; F123-I344 HydrophobicContact CD1-CD1 4.15Å; F123-I344 HydrophobicContact CD1-CG1 4.15Å; F123-I344 HydrophobicContact CD1-CG2 3.48Å; F123-I344 VanDerWaalsContact CD1-CG2 3.48Å; F123-I344 HydrophobicContact CD2-CD1 3.34Å; F123-I344 HydrophobicContact CD2-CG1 4Å; F123-I344 HydrophobicContact CE1-CD1 4.48Å; F123-I344 HydrophobicContact CE1-CG1 4.14Å; F123-I344 HydrophobicContact CE1-CG2 3.86Å; F123-I344 HydrophobicContact CE2-CD1 3.75Å; F123-I344 HydrophobicContact CE2-CG1 3.98Å; F123-I344 HydrophobicContact CG-CD1 3.55Å; F123-I344 HydrophobicContact CG-CG1 4.06Å; F123-I344 HydrophobicContact CG-CG2 3.92Å; F123-I344 HydrophobicContact CZ-CD1 4.29Å; F123-I344 HydrophobicContact CZ-CG1 4.04Å; F123-A348 HydrophobicContact CB-CB 4.42Å; F123-A348 HydrophobicContact CD1-CB 4.49Å; F123-A348 WeakPolarHBondContact O-CB 3.23Å; F123-W351 HydrophobicContact CD1-CB 4.24Å; F123-W351 AromaticContact CD2-CD1 3.83Å; F123-W351 HydrophobicContact CE1-CB 3.58Å; F123-W351 HydrophobicContact CE1-CG 4.34Å; F123-W351 HydrophobicContact CE2-CB 4.24Å; F123-W351 AromaticContact CE2-CD1 3.69Å; F123-W351 HydrophobicContact CE2-CG 4.21Å; F123-W351 HydrophobicContact CZ-CB 3.59Å; F123-W351 AromaticContact CZ-CD1 3.94Å; F123-W351 HydrophobicContact CZ-CG 4.04Å
124S98.8Very high97.5Very high1 Ų131.4 Ų31.41%0.00716%0.157CC..  trans-69.5138175-63.80000111.3H50 L51 H52 E116 G120 V121H50-S124 CarbonylContact O-C 3.55Å; H50-S124 VanDerWaalsContact O-CA 3.3Å; H50-S124 WeakPolarHBondContact O-CA 3.3Å; L51-S124 WeakPolarHBondContact CA-OG 3.23Å; H52-S124 PolarHBondContact N-OG 3.4Å; E116-S124 WeakPolarHBondContact CB-OG 3.44Å; E116-S124 PolarHBondContact O-OG 2.73Å; G120-S124 VanDerWaalsContact CA-O 3.28Å; G120-S124 WeakPolarHBondContact CA-O 3.32Å; G120-S124 PolarHBondContact N-O 2.77Å; V121-S124 VanDerWaalsContact O-CB 3.25Å; V121-S124 WeakPolarHBondContact O-CB 3.25Å; V121-S124 PolarHBondContact O-N 3.1Å
125Y98.4Very high97.5Very high21 Ų2131.5 Ų31.58%0.08216%0.157CC..EExtended strand (participates in β ladder)trans-146.6170.8-175.271.4-82.4000112.2Y42 H50 V119 S345 D347 A348Y42-Y125 HydrophobicContact CD1-CD1 4.37Å; Y42-Y125 AromaticContact CD1-CE1 4Å; Y42-Y125 HydrophobicContact CD1-CE1 4Å; Y42-Y125 AromaticContact CE1-CD1 3.71Å; Y42-Y125 HydrophobicContact CE1-CD1 3.71Å; Y42-Y125 AromaticContact CE1-CE1 3.54Å; Y42-Y125 HydrophobicContact CE1-CE1 3.54Å; Y42-Y125 HydrophobicContact CE2-CE1 4.46Å; Y42-Y125 AromaticContact CZ-CE1 3.8Å; H50-Y125 HydrophobicContact CB-CD1 4.02Å; H50-Y125 HydrophobicContact CB-CE1 3.74Å; H50-Y125 HydrophobicContact CB-CE2 4.37Å; H50-Y125 HydrophobicContact CB-CG 4.45Å; H50-Y125 AromaticContact CD2-CE2 3.53Å; H50-Y125 AromaticContact CD2-CZ 3.77Å; H50-Y125 AromaticContact CG-CZ 3.86Å; H50-Y125 PolarHBondContact N-O 2.83Å; H50-Y125 PolarHBondContact O-N 2.82Å; V119-Y125 VanDerWaalsContact CG1-O 3.31Å; V119-Y125 WeakPolarHBondContact CG1-O 3.33Å; Y125-S345 PolarHBondContact OH-OG 2.78Å; Y125-S345 VanDerWaalsContact OH-OG 3.07Å; Y125-D347 HydrophobicContact CD2-CB 4.03Å; Y125-D347 HydrophobicContact CE2-CB 3.66Å; Y125-A348 HydrophobicContact CD1-CB 4.13Å
126S97.6Very high97.5Very high0 Ų033.9 Ų33.90%017%0.172CC..EExtended strand (participates in β ladder)trans-129150.2169.967.10000110.4G48 D128 K129 N130G48-S126 CarbonylContact O-C 3.35Å; G48-S126 WeakPolarHBondContact O-CA 3.31Å; S126-D128 WeakPolarHBondContact CB-OD1 3.32Å; S126-D128 PolarHBondContact O-N 2.55Å; S126-D128 PolarHBondContact OG-OD1 2.83Å; S126-K129 PolarHBondContact O-N 3.49Å; S126-K129 VanDerWaalsContact O-N 3.08Å; S126-K129 WeakPolarHBondContact OG-CA 3.26Å; S126-K129 PolarHBondContact OG-N 2.97Å; S126-N130 PolarHBondContact OG-N 3.06Å
127D97.6Very high97.4Very high107 Ų10736.5 Ų36.557%0.57218%0.184SC*.THydrogen-bonded Turntrans-58.2-37.5179.5-70.5-26.7000112.2G48 H50G48-D127 WeakPolarHBondContact CA-OD2 3.37Å; G48-D127 PolarHBondContact O-N 2.82Å; H50-D127 IonicContact CD2-OD1 3.81Å; H50-D127 IonicContact NE2-OD1 3.57Å; H50-D127 PolarHBondContact NE2-OD1 2.82Å; H50-D127 IonicContact NE2-OD2 2.74Å
128D95.6Very high97.4Very high104 Ų10436.3 Ų36.356%0.55618%0.183SC*.THydrogen-bonded Turntrans-85.1-8179.773-10.1000114S126 N130S126-D128 WeakPolarHBondContact CB-OD1 3.32Å; S126-D128 PolarHBondContact O-N 2.55Å; S126-D128 PolarHBondContact OG-OD1 2.83Å; D128-N130 PolarHBondContact O-N 3.29Å; D128-N130 PolarHBondContact OD1-N 3.12Å; D128-N130 WeakPolarHBondContact OD2-CB 3.35Å
129K94.2Very high97.4Very high121 Ų12136.5 Ų36.553%0.52618%0.184SC..  trans54.129.3-176.1-54.1-175.8179.9-171.40114S126S126-K129 PolarHBondContact O-N 3.49Å; S126-K129 VanDerWaalsContact O-N 3.08Å; S126-K129 WeakPolarHBondContact OG-CA 3.26Å; S126-K129 PolarHBondContact OG-N 2.97Å
130N93.2Very high97.5Very high88 Ų8839.8 Ų39.847%0.47120%0.2SC..  trans-97.6108.4173.6179.39.6000110.6S126 D128 K132S126-N130 PolarHBondContact OG-N 3.06Å; D128-N130 PolarHBondContact O-N 3.29Å; D128-N130 PolarHBondContact OD1-N 3.12Å; D128-N130 WeakPolarHBondContact OD2-CB 3.35Å; N130-K132 PolarHBondContact OD1-N 3.3Å
131Y95.4Very high97.6Very high5 Ų540 Ų402%0.0220%0.2CC..  trans-101.99.9-175.1-51.2-50.2000114.3V119 G120 T133 L349 E357V119-Y131 HydrophobicContact CB-CD1 4.33Å; V119-Y131 HydrophobicContact CG2-CD1 4.23Å; G120-Y131 VanDerWaalsContact CA-CD1 3.49Å; Y131-T133 PolarHBondContact O-N 2.78Å; Y131-L349 HydrophobicContact CE2-CD1 4.07Å; Y131-E357 HydrophobicContact CD2-CG 4.35Å; Y131-E357 WeakPolarHBondContact CD2-OE2 3.44Å
132K95.9Very high97.6Very high142 Ų14240 Ų4062%0.61720%0.2SC*.  trans-68.4123172.8-178.9-180178.6-179.10109.7N130 M361N130-K132 PolarHBondContact OD1-N 3.3Å; K132-M361 HydrophobicContact CB-CB 4.41Å; K132-M361 HydrophobicContact CB-CE 4.28Å; K132-M361 HydrophobicContact CB-SD 4.44Å; K132-M361 HydrophobicContact CG-CB 4.39Å
133T97.7Very high97.6Very high8 Ų842 Ų425%0.04921%0.206CC..  trans-149-177179.9-164.40000112.3P118 Y131 E137 V138 Y362 G363P118-T133 HydrophobicContact CB-CG2 4.03Å; P118-T133 HydrophobicContact CG-CG2 3.79Å; Y131-T133 PolarHBondContact O-N 2.78Å; T133-E137 WeakPolarHBondContact CA-OE2 3.36Å; T133-E137 WeakPolarHBondContact CB-OE2 3.43Å; T133-E137 VanDerWaalsContact OG1-CD 3.26Å; T133-E137 PolarHBondContact OG1-OE2 2.78Å; T133-V138 HydrophobicContact CG2-CG2 3.65Å; T133-Y362 HydrophobicContact CG2-CD2 3.81Å; T133-Y362 HydrophobicContact CG2-CE2 3.69Å; T133-G363 PolarHBondContact O-N 2.86Å
134N98.4Very high97.6Very high43 Ų4344.7 Ų44.723%0.2322%0.221CC..BIsolated β-bridgetrans-153.8171.8179.26567.7000111.2T136 E137 V138 G363 L365N134-T136 VanDerWaalsContact C-N 3.3Å; N134-T136 PolarHBondContact O-N 3.47Å; N134-T136 VanDerWaalsContact O-N 3.16Å; N134-T136 PolarHBondContact OD1-N 3.16Å; N134-T136 PolarHBondContact OD1-OG1 3.46Å; N134-E137 PolarHBondContact O-N 3.3Å; N134-E137 VanDerWaalsContact O-N 3.14Å; N134-E137 PolarHBondContact OD1-N 2.93Å; N134-V138 WeakPolarHBondContact O-CG2 3.18Å; N134-V138 PolarHBondContact O-N 3.3Å; N134-G363 WeakPolarHBondContact CA-O 3.36Å; N134-G363 WeakPolarHBondContact CB-O 3.33Å; N134-L365 HydrophobicContact CB-CD1 3.85Å; N134-L365 HydrophobicContact CB-CG 4.12Å; N134-L365 WeakPolarHBondContact OD1-CD1 3.45Å
135D98.7Very high97.6Very high1 Ų144.7 Ų44.71%0.00522%0.22CC..Hα-helixtrans-52.4-42.3-176-60.1-36000114.9S139 Y168 I171 Y362 G363 L365 Y366D135-S139 WeakPolarHBondContact O-CB 3.48Å; D135-S139 PolarHBondContact O-N 2.78Å; D135-Y168 PolarHBondContact OD1-OH 2.96Å; D135-I171 HydrophobicContact CB-CG2 4.33Å; D135-Y362 WeakPolarHBondContact CA-OH 3.41Å; D135-Y362 PolarHBondContact N-OH 3.49Å; D135-Y362 WeakPolarHBondContact OD1-CE1 3.45Å; D135-Y362 PolarHBondContact OD1-OH 3.39Å; D135-G363 PolarHBondContact N-O 3.24Å; D135-L365 HydrophobicContact CB-CB 4.43Å; D135-L365 PolarHBondContact OD2-N 3.1Å; D135-Y366 HydrophobicContact CB-CD2 3.5Å; D135-Y366 HydrophobicContact CB-CE2 3.79Å; D135-Y366 PolarHBondContact OD2-N 2.87Å; D135-Y366 VanDerWaalsContact OD2-N 3.11Å
136T98.5Very high97.6Very high52 Ų5243.7 Ų43.732%0.31922%0.217SC..Hα-helixtrans-70.5-36.3-176.261.50000112.7N134 M140 R179 L365 Y366N134-T136 VanDerWaalsContact C-N 3.3Å; N134-T136 PolarHBondContact O-N 3.47Å; N134-T136 VanDerWaalsContact O-N 3.16Å; N134-T136 PolarHBondContact OD1-N 3.16Å; N134-T136 PolarHBondContact OD1-OG1 3.46Å; T136-M140 PolarHBondContact O-N 2.79Å; T136-M140 VanDerWaalsContact O-N 3.15Å; T136-R179 PolarHBondContact O-NH2 2.7Å; T136-R179 VanDerWaalsContact O-NH2 3.17Å; T136-L365 HydrophobicContact CG2-CD1 3.9Å; T136-Y366 HydrophobicContact CG2-CE2 3.92Å
137E98.4Very high97.6Very high55 Ų5547.2 Ų47.226%0.25723%0.232SC..Hα-helixtrans-73.9-44.8177.7-178.6-178.8-161.800110.7K49 T133 N134 S139 M140 N141K49-E137 IonicContact NZ-OE1 3.74Å; K49-E137 PolarHBondContact NZ-OE1 2.72Å; T133-E137 WeakPolarHBondContact CA-OE2 3.36Å; T133-E137 WeakPolarHBondContact CB-OE2 3.43Å; T133-E137 VanDerWaalsContact OG1-CD 3.26Å; T133-E137 PolarHBondContact OG1-OE2 2.78Å; N134-E137 PolarHBondContact O-N 3.3Å; N134-E137 VanDerWaalsContact O-N 3.14Å; N134-E137 PolarHBondContact OD1-N 2.93Å; E137-S139 VanDerWaalsContact C-N 3.33Å; E137-S139 PolarHBondContact O-N 3.26Å; E137-M140 PolarHBondContact O-N 2.83Å; E137-M140 VanDerWaalsContact O-N 3.13Å; E137-N141 PolarHBondContact O-N 2.81Å; E137-N141 PolarHBondContact O-ND2 2.9Å
138V98.7Very high97.7Very high0 Ų043.6 Ų43.60%021%0.212CC..Hα-helixtrans-58.8-46.4175.2175.80000111P118 T133 N134 M140 N141 N142 Y172 Y362P118-V138 HydrophobicContact CB-CG1 4.47Å; P118-V138 HydrophobicContact CB-CG2 3.72Å; P118-V138 HydrophobicContact CG-CG2 4.04Å; T133-V138 HydrophobicContact CG2-CG2 3.65Å; N134-V138 WeakPolarHBondContact O-CG2 3.18Å; N134-V138 PolarHBondContact O-N 3.3Å; V138-M140 VanDerWaalsContact C-N 3.3Å; V138-M140 PolarHBondContact O-N 3.41Å; V138-N141 PolarHBondContact O-N 2.77Å; V138-N142 WeakPolarHBondContact O-CB 3.25Å; V138-N142 VanDerWaalsContact O-CG 3.32Å; V138-N142 PolarHBondContact O-N 2.99Å; V138-Y172 HydrophobicContact CG1-CD1 3.96Å; V138-Y172 HydrophobicContact CG1-CE1 3.89Å; V138-Y362 HydrophobicContact CG2-CE2 3.78Å
139S98.8Very high97.8Very high4 Ų438.7 Ų38.73%0.02819%0.185CC..Hα-helixtrans-57.1-42.4175.2168.10000112.1D135 E137 Y143 T175 R179D135-S139 WeakPolarHBondContact O-CB 3.48Å; D135-S139 PolarHBondContact O-N 2.78Å; E137-S139 VanDerWaalsContact C-N 3.33Å; E137-S139 PolarHBondContact O-N 3.26Å; S139-Y143 WeakPolarHBondContact O-CB 3.34Å; S139-Y143 PolarHBondContact O-N 3.22Å; S139-Y143 VanDerWaalsContact O-N 3.12Å; S139-T175 VanDerWaalsContact OG-C 3.3Å; S139-T175 PolarHBondContact OG-O 3.43Å; S139-R179 VanDerWaalsContact OG-CD 3.31Å; S139-R179 WeakPolarHBondContact OG-CD 3.32Å; S139-R179 PolarHBondContact OG-NE 3.15Å
140M98.7Very high98Very high74 Ų7433.8 Ų33.837%0.36516%0.164SC..Hα-helixtrans-67.9-46.4177-178.961.889.200112.1T136 E137 V138 N142 Y143 L144T136-M140 PolarHBondContact O-N 2.79Å; T136-M140 VanDerWaalsContact O-N 3.15Å; E137-M140 PolarHBondContact O-N 2.83Å; E137-M140 VanDerWaalsContact O-N 3.13Å; V138-M140 VanDerWaalsContact C-N 3.3Å; V138-M140 PolarHBondContact O-N 3.41Å; M140-N142 VanDerWaalsContact C-N 3.34Å; M140-N142 PolarHBondContact O-N 3.3Å; M140-Y143 WeakPolarHBondContact O-CB 3.48Å; M140-Y143 PolarHBondContact O-N 3.34Å; M140-Y143 HydrophobicContact SD-CD1 4.04Å; M140-L144 HydrophobicContact CG-CD1 4.28Å; M140-L144 WeakPolarHBondContact O-CG 3.38Å; M140-L144 PolarHBondContact O-N 2.91Å; M140-L144 HydrophobicContact SD-CG 4.37Å
141N98.6Very high98.2Very high8 Ų836.7 Ų36.74%0.04317%0.168CC..Hα-helixtrans-63.3-40.4-179.7-68.8-19.8000111.4V45 L51 E137 V138 Y143 L144 A145V45-N141 HydrophobicContact CG2-CB 4.21Å; L51-N141 HydrophobicContact CD1-CB 4.49Å; E137-N141 PolarHBondContact O-N 2.81Å; E137-N141 PolarHBondContact O-ND2 2.9Å; V138-N141 PolarHBondContact O-N 2.77Å; N141-Y143 VanDerWaalsContact C-N 3.34Å; N141-Y143 PolarHBondContact O-N 3.09Å; N141-L144 PolarHBondContact O-N 2.93Å; N141-A145 WeakPolarHBondContact O-CB 3.33Å; N141-A145 PolarHBondContact O-N 3.15Å
142N98.9Very high98.3Very high0 Ų038.1 Ų38.10%018%0.176CC..Hα-helixtrans-65.6-37.5175.4-72.3-11.3000112.3S117 V138 M140 A145 L146 L176S117-N142 VanDerWaalsContact CB-OD1 3.26Å; S117-N142 WeakPolarHBondContact CB-OD1 3.38Å; S117-N142 VanDerWaalsContact OG-CG 3.31Å; S117-N142 PolarHBondContact OG-ND2 3.44Å; S117-N142 PolarHBondContact OG-OD1 3.05Å; V138-N142 WeakPolarHBondContact O-CB 3.25Å; V138-N142 VanDerWaalsContact O-CG 3.32Å; V138-N142 PolarHBondContact O-N 2.99Å; M140-N142 VanDerWaalsContact C-N 3.34Å; M140-N142 PolarHBondContact O-N 3.3Å; N142-A145 PolarHBondContact O-N 3.29Å; N142-L146 PolarHBondContact O-N 3.03Å; N142-L176 HydrophobicContact CB-CD1 3.93Å; N142-L176 HydrophobicContact CB-CD2 4.08Å
143Y98.9Very high98.4Very high48 Ų4831.3 Ų31.319%0.18815%0.147CC..Hα-helixtrans-62.7-47.1173166.8-106.1000111.5S139 M140 N141 A145 L146 K147 R179 V180 D183 L186S139-Y143 WeakPolarHBondContact O-CB 3.34Å; S139-Y143 PolarHBondContact O-N 3.22Å; S139-Y143 VanDerWaalsContact O-N 3.12Å; M140-Y143 WeakPolarHBondContact O-CB 3.48Å; M140-Y143 PolarHBondContact O-N 3.34Å; M140-Y143 HydrophobicContact SD-CD1 4.04Å; N141-Y143 VanDerWaalsContact C-N 3.34Å; N141-Y143 PolarHBondContact O-N 3.09Å; Y143-A145 VanDerWaalsContact C-N 3.31Å; Y143-A145 PolarHBondContact O-N 2.81Å; Y143-L146 PolarHBondContact O-N 2.82Å; Y143-K147 HydrophobicContact CE1-CG 4.42Å; Y143-K147 HydrophobicContact CE2-CD 4.28Å; Y143-K147 HydrophobicContact CE2-CG 4.22Å; Y143-K147 WeakPolarHBondContact O-CG 3.15Å; Y143-K147 PolarHBondContact O-N 2.91Å; Y143-R179 HydrophobicContact CD2-CB 4.08Å; Y143-R179 HydrophobicContact CG-CB 4.11Å; Y143-V180 HydrophobicContact CD2-CG2 4.15Å; Y143-D183 HydrophobicContact CE2-CB 4Å; Y143-D183 PolarHBondContact OH-OD2 2.89Å; Y143-L186 HydrophobicContact CD2-CD1 4.31Å; Y143-L186 HydrophobicContact CE2-CD1 4Å
144L98.8Very high98.4Very high57 Ų5733 Ų3330%0.29816%0.157SC..Hα-helixtrans-63.4-37.2176.1-66.6177.3000112.1V45 A46 M140 N141 K147 E148V45-L144 HydrophobicContact CB-CB 4.01Å; V45-L144 HydrophobicContact CB-CD1 4.48Å; V45-L144 HydrophobicContact CG1-CB 3.8Å; A46-L144 HydrophobicContact CB-CD1 4.22Å; M140-L144 HydrophobicContact CG-CD1 4.28Å; M140-L144 WeakPolarHBondContact O-CG 3.38Å; M140-L144 PolarHBondContact O-N 2.91Å; M140-L144 HydrophobicContact SD-CG 4.37Å; N141-L144 PolarHBondContact O-N 2.93Å; L144-K147 WeakPolarHBondContact O-CB 3.48Å; L144-K147 PolarHBondContact O-N 3.33Å; L144-E148 PolarHBondContact O-N 3.16Å
145A98.8Very high98.3Very high0 Ų034.6 Ų34.60%016%0.163CC..Hα-helixtrans-64.5-42.317500000111.8L43 V45 L51 L115 N141 N142 Y143 K147 E148 F149L43-A145 HydrophobicContact CB-CB 3.98Å; L43-A145 HydrophobicContact CD1-CB 3.96Å; L43-A145 WeakPolarHBondContact CD1-O 3.31Å; V45-A145 HydrophobicContact CG1-CB 3.91Å; L51-A145 HydrophobicContact CD1-CB 3.86Å; L115-A145 HydrophobicContact CD2-CB 4.13Å; N141-A145 WeakPolarHBondContact O-CB 3.33Å; N141-A145 PolarHBondContact O-N 3.15Å; N142-A145 PolarHBondContact O-N 3.29Å; Y143-A145 VanDerWaalsContact C-N 3.31Å; Y143-A145 PolarHBondContact O-N 2.81Å; A145-K147 VanDerWaalsContact C-N 3.31Å; A145-K147 PolarHBondContact O-N 2.72Å; A145-E148 CarbonylContact O-C 3.51Å; A145-E148 PolarHBondContact O-N 3.08Å; A145-F149 WeakPolarHBondContact O-CB 3.27Å; A145-F149 PolarHBondContact O-N 3.26Å
146L98.7Very high98.3Very high1 Ų134.8 Ų34.81%0.00516%0.164CC..Hα-helixtrans-60.2-41.2173.1-79177.2000112L69 L113 N142 Y143 E148 F149 F150 L163 L176 V180L69-L146 HydrophobicContact CD2-CD1 4.26Å; L69-L146 HydrophobicContact CD2-CD2 4.33Å; L69-L146 HydrophobicContact CD2-CG 4.49Å; L113-L146 HydrophobicContact CD2-CD2 4.06Å; N142-L146 PolarHBondContact O-N 3.03Å; Y143-L146 PolarHBondContact O-N 2.82Å; L146-E148 VanDerWaalsContact C-N 3.32Å; L146-E148 PolarHBondContact O-N 2.98Å; L146-F149 WeakPolarHBondContact O-CB 3.47Å; L146-F149 PolarHBondContact O-N 2.88Å; L146-F150 WeakPolarHBondContact O-CD2 3.49Å; L146-F150 PolarHBondContact O-N 2.87Å; L146-L163 HydrophobicContact CD1-CD2 3.82Å; L146-L176 HydrophobicContact CD1-CD1 4.28Å; L146-L176 HydrophobicContact CD1-CD2 4.07Å; L146-L176 HydrophobicContact CD1-CG 4.45Å; L146-V180 HydrophobicContact CD1-CG2 3.9Å
147K98.3Very high98.2Very high73 Ų7334.8 Ų34.832%0.31717%0.166SC..Hα-helixtrans-60.5-43.7174.3-66.1-69.8-65.3-166.90111.6Y143 L144 A145 F150 R151 D183 S185 L186Y143-K147 HydrophobicContact CE1-CG 4.42Å; Y143-K147 HydrophobicContact CE2-CD 4.28Å; Y143-K147 HydrophobicContact CE2-CG 4.22Å; Y143-K147 WeakPolarHBondContact O-CG 3.15Å; Y143-K147 PolarHBondContact O-N 2.91Å; L144-K147 WeakPolarHBondContact O-CB 3.48Å; L144-K147 PolarHBondContact O-N 3.33Å; A145-K147 VanDerWaalsContact C-N 3.31Å; A145-K147 PolarHBondContact O-N 2.72Å; K147-F150 PolarHBondContact O-N 3.01Å; K147-R151 WeakPolarHBondContact O-CB 3.42Å; K147-R151 PolarHBondContact O-N 2.64Å; K147-D183 VanDerWaalsContact CD-OD2 3.23Å; K147-D183 WeakPolarHBondContact CD-OD2 3.39Å; K147-D183 WeakPolarHBondContact CE-OD2 3.24Å; K147-D183 IonicContact NZ-OD1 3.61Å; K147-D183 IonicContact NZ-OD2 2.91Å; K147-D183 PolarHBondContact NZ-OD2 3.12Å; K147-S185 PolarHBondContact NZ-OG 2.85Å; K147-L186 HydrophobicContact CD-CD1 4.23Å; K147-L186 HydrophobicContact CD-CD2 4.44Å; K147-L186 HydrophobicContact CD-CG 4.45Å
148E98.3Very high98.1Very high32 Ų3236.6 Ų36.615%0.1519%0.185CC..Hα-helixtrans-66-39.8177.5-177.263.3179.900111.7L43 L144 A145 L146 R151 L152L43-E148 HydrophobicContact CB-CB 4.48Å; L43-E148 HydrophobicContact CB-CG 4.35Å; L43-E148 HydrophobicContact CD2-CG 4.21Å; L144-E148 PolarHBondContact O-N 3.16Å; A145-E148 CarbonylContact O-C 3.51Å; A145-E148 PolarHBondContact O-N 3.08Å; L146-E148 VanDerWaalsContact C-N 3.32Å; L146-E148 PolarHBondContact O-N 2.98Å; E148-R151 WeakPolarHBondContact O-CB 3.29Å; E148-R151 PolarHBondContact O-N 2.79Å; E148-R151 VanDerWaalsContact O-N 3.13Å; E148-R151 IonicContact OE1-CZ 2.7Å; E148-R151 IonicContact OE1-NE 2.79Å; E148-R151 PolarHBondContact OE1-NE 3.32Å; E148-R151 IonicContact OE1-NH2 3.37Å; E148-R151 PolarHBondContact OE1-NH2 3.4Å; E148-R151 IonicContact OE2-CZ 2.7Å; E148-R151 IonicContact OE2-NE 3.36Å; E148-R151 PolarHBondContact OE2-NE 3.23Å; E148-R151 IonicContact OE2-NH2 3.04Å; E148-L152 HydrophobicContact CG-CD1 4.31Å; E148-L152 WeakPolarHBondContact O-CG 3.13Å; E148-L152 PolarHBondContact O-N 3.36Å
149F98.8Very high98Very high0 Ų037 Ų370%019%0.187CC..Hα-helixtrans-56.8-53.3173.8173.3-96.3000110.7L43 F55 V67 L113 A145 L146 R151 L152 F153L43-F149 HydrophobicContact CD1-CB 3.98Å; L43-F149 HydrophobicContact CD2-CB 4Å; F55-F149 HydrophobicContact CB-CE2 4.29Å; F55-F149 HydrophobicContact CD1-CE2 4.16Å; F55-F149 HydrophobicContact CD1-CZ 4.34Å; F55-F149 AromaticContact CD2-CE2 3.88Å; F55-F149 HydrophobicContact CD2-CE2 3.88Å; F55-F149 AromaticContact CD2-CZ 3.83Å; F55-F149 HydrophobicContact CD2-CZ 3.83Å; F55-F149 HydrophobicContact CE1-CE2 4.45Å; F55-F149 HydrophobicContact CE1-CZ 4.19Å; F55-F149 HydrophobicContact CE2-CE2 4.17Å; F55-F149 AromaticContact CE2-CZ 3.65Å; F55-F149 HydrophobicContact CE2-CZ 3.65Å; F55-F149 AromaticContact CG-CE2 3.87Å; F55-F149 HydrophobicContact CG-CE2 3.87Å; F55-F149 HydrophobicContact CG-CZ 4.18Å; F55-F149 HydrophobicContact CZ-CE2 4.44Å; F55-F149 AromaticContact CZ-CZ 3.83Å; F55-F149 HydrophobicContact CZ-CZ 3.83Å; V67-F149 HydrophobicContact CG1-CE1 3.97Å; V67-F149 HydrophobicContact CG1-CZ 4.42Å; L113-F149 HydrophobicContact CD1-CD2 3.93Å; L113-F149 HydrophobicContact CD1-CE2 3.96Å; L113-F149 HydrophobicContact CD2-CB 4.38Å; L113-F149 HydrophobicContact CD2-CD1 4.16Å; L113-F149 HydrophobicContact CD2-CD2 3.86Å; L113-F149 HydrophobicContact CD2-CE1 4.48Å; L113-F149 HydrophobicContact CD2-CE2 4.19Å; L113-F149 HydrophobicContact CD2-CG 3.85Å; L113-F149 HydrophobicContact CD2-CZ 4.49Å; A145-F149 WeakPolarHBondContact O-CB 3.27Å; A145-F149 PolarHBondContact O-N 3.26Å; L146-F149 WeakPolarHBondContact O-CB 3.47Å; L146-F149 PolarHBondContact O-N 2.88Å; F149-R151 PolarHBondContact O-N 3.21Å; F149-L152 PolarHBondContact O-N 3.15Å; F149-L152 VanDerWaalsContact O-N 3.08Å; F149-F153 AromaticContact CD2-CD2 3.55Å; F149-F153 HydrophobicContact CD2-CD2 3.55Å; F149-F153 AromaticContact CD2-CE2 3.93Å; F149-F153 HydrophobicContact CD2-CE2 3.93Å; F149-F153 HydrophobicContact CD2-CG 4.35Å; F149-F153 HydrophobicContact CE1-CB 4.39Å; F149-F153 HydrophobicContact CE2-CB 4.33Å; F149-F153 AromaticContact CE2-CD2 3.46Å; F149-F153 HydrophobicContact CE2-CD2 3.46Å; F149-F153 VanDerWaalsContact CE2-CD2 3.46Å; F149-F153 AromaticContact CE2-CE2 3.81Å; F149-F153 HydrophobicContact CE2-CE2 3.81Å; F149-F153 AromaticContact CE2-CG 3.9Å; F149-F153 HydrophobicContact CE2-CG 3.9Å; F149-F153 HydrophobicContact CE2-CZ 4.48Å; F149-F153 HydrophobicContact CG-CD2 4.29Å; F149-F153 HydrophobicContact CZ-CB 4.15Å; F149-F153 HydrophobicContact CZ-CD2 4.13Å; F149-F153 HydrophobicContact CZ-CG 4.14Å; F149-F153 WeakPolarHBondContact O-CB 3.24Å; F149-F153 WeakPolarHBondContact O-CD2 3.32Å; F149-F153 PolarHBondContact O-N 3.27Å
150F98.2Very high98.1Very high18 Ų1839.8 Ų39.88%0.07920%0.2CC..Hα-helixtrans-68.5-20.1178.4-71.8-67.6000113.7V67 L146 K147 F153 P154 Y156 L161 L186V67-F150 HydrophobicContact CG1-CZ 4.38Å; V67-F150 HydrophobicContact CG2-CE1 4.39Å; L146-F150 WeakPolarHBondContact O-CD2 3.49Å; L146-F150 PolarHBondContact O-N 2.87Å; K147-F150 PolarHBondContact O-N 3.01Å; F150-F153 CarbonylContact O-C 3.48Å; F150-P154 VanDerWaalsContact O-CA 3.26Å; F150-P154 WeakPolarHBondContact O-CA 3.01Å; F150-Y156 WeakPolarHBondContact CE1-O 3.3Å; F150-L161 HydrophobicContact CE2-CD1 4.45Å; F150-L161 HydrophobicContact CE2-CD2 4.11Å; F150-L161 HydrophobicContact CZ-CD1 4.2Å; F150-L161 HydrophobicContact CZ-CD2 4.39Å; F150-L186 HydrophobicContact CD2-CD2 3.29Å; F150-L186 HydrophobicContact CE2-CD2 3.56Å; F150-L186 HydrophobicContact CG-CD2 4.23Å
151R97.2Very high98.1Very high150 Ų15036.2 Ų36.257%0.56618%0.182SC*.Hα-helixtrans-71.7-39.6169.5-167.3-163.765.970.2-2.8111.7K147 E148 F149K147-R151 WeakPolarHBondContact O-CB 3.42Å; K147-R151 PolarHBondContact O-N 2.64Å; E148-R151 WeakPolarHBondContact O-CB 3.29Å; E148-R151 PolarHBondContact O-N 2.79Å; E148-R151 VanDerWaalsContact O-N 3.13Å; E148-R151 IonicContact OE1-CZ 2.7Å; E148-R151 IonicContact OE1-NE 2.79Å; E148-R151 PolarHBondContact OE1-NE 3.32Å; E148-R151 IonicContact OE1-NH2 3.37Å; E148-R151 PolarHBondContact OE1-NH2 3.4Å; E148-R151 IonicContact OE2-CZ 2.7Å; E148-R151 IonicContact OE2-NE 3.36Å; E148-R151 PolarHBondContact OE2-NE 3.23Å; E148-R151 IonicContact OE2-NH2 3.04Å; F149-R151 PolarHBondContact O-N 3.21Å
152L97.6Very high98.1Very high34 Ų3435.9 Ų35.918%0.17818%0.18CC..Hα-helixtrans-76.5-32.5177.6-70.2174.6000112.5P19 L43 E148 F149 P154P19-L152 WeakPolarHBondContact CD-O 3.22Å; P19-L152 HydrophobicContact CG-CB 4.31Å; L43-L152 HydrophobicContact CD2-CD1 3.85Å; E148-L152 HydrophobicContact CG-CD1 4.31Å; E148-L152 WeakPolarHBondContact O-CG 3.13Å; E148-L152 PolarHBondContact O-N 3.36Å; F149-L152 PolarHBondContact O-N 3.15Å; F149-L152 VanDerWaalsContact O-N 3.08Å; L152-P154 VanDerWaalsContact O-CD 3.26Å; L152-P154 WeakPolarHBondContact O-CD 3.12Å
153F98Very high98.1Very high0 Ų035.9 Ų35.90%018%0.18CC..  trans-120.557.6-175.7-68.2-88.2000110.9A18 P19 Y39 Y53 F55 F149 F150 E155 Y156A18-F153 HydrophobicContact CB-CD1 3.64Å; A18-F153 HydrophobicContact CB-CE1 3.6Å; P19-F153 HydrophobicContact CG-CE1 4.27Å; P19-F153 HydrophobicContact CG-CE2 3.84Å; P19-F153 HydrophobicContact CG-CZ 3.66Å; Y39-F153 HydrophobicContact CD1-CE1 4.08Å; Y39-F153 HydrophobicContact CD1-CZ 4.14Å; Y39-F153 AromaticContact CD2-CE1 3.87Å; Y39-F153 HydrophobicContact CD2-CE1 3.87Å; Y39-F153 HydrophobicContact CD2-CZ 4.27Å; Y39-F153 HydrophobicContact CE1-CE1 4.35Å; Y39-F153 HydrophobicContact CE2-CE1 4.15Å; Y39-F153 AromaticContact CG-CE1 3.84Å; Y39-F153 HydrophobicContact CG-CE1 3.84Å; Y39-F153 AromaticContact CG-CZ 3.85Å; Y39-F153 HydrophobicContact CG-CZ 3.85Å; Y53-F153 AromaticContact CE2-CE2 3.88Å; Y53-F153 HydrophobicContact CE2-CE2 3.88Å; Y53-F153 AromaticContact CE2-CZ 3.97Å; Y53-F153 HydrophobicContact CE2-CZ 3.97Å; Y53-F153 AromaticContact CZ-CE2 3.8Å; Y53-F153 WeakPolarHBondContact OH-CE2 3.17Å; Y53-F153 WeakPolarHBondContact OH-CZ 3.24Å; F55-F153 HydrophobicContact CD1-CD1 4.29Å; F55-F153 AromaticContact CD1-CE1 3.85Å; F55-F153 HydrophobicContact CD1-CE1 3.85Å; F55-F153 HydrophobicContact CD1-CZ 4.18Å; F55-F153 HydrophobicContact CE1-CD1 4.18Å; F55-F153 HydrophobicContact CE1-CE1 4.14Å; F149-F153 AromaticContact CD2-CD2 3.55Å; F149-F153 HydrophobicContact CD2-CD2 3.55Å; F149-F153 AromaticContact CD2-CE2 3.93Å; F149-F153 HydrophobicContact CD2-CE2 3.93Å; F149-F153 HydrophobicContact CD2-CG 4.35Å; F149-F153 HydrophobicContact CE1-CB 4.39Å; F149-F153 HydrophobicContact CE2-CB 4.33Å; F149-F153 AromaticContact CE2-CD2 3.46Å; F149-F153 HydrophobicContact CE2-CD2 3.46Å; F149-F153 VanDerWaalsContact CE2-CD2 3.46Å; F149-F153 AromaticContact CE2-CE2 3.81Å; F149-F153 HydrophobicContact CE2-CE2 3.81Å; F149-F153 AromaticContact CE2-CG 3.9Å; F149-F153 HydrophobicContact CE2-CG 3.9Å; F149-F153 HydrophobicContact CE2-CZ 4.48Å; F149-F153 HydrophobicContact CG-CD2 4.29Å; F149-F153 HydrophobicContact CZ-CB 4.15Å; F149-F153 HydrophobicContact CZ-CD2 4.13Å; F149-F153 HydrophobicContact CZ-CG 4.14Å; F149-F153 WeakPolarHBondContact O-CB 3.24Å; F149-F153 WeakPolarHBondContact O-CD2 3.32Å; F149-F153 PolarHBondContact O-N 3.27Å; F150-F153 CarbonylContact O-C 3.48Å; F153-E155 WeakPolarHBondContact CA-OE2 3.3Å; F153-E155 PolarHBondContact O-N 2.89Å; F153-E155 VanDerWaalsContact O-N 3.13Å; F153-Y156 HydrophobicContact CB-CD2 3.9Å; F153-Y156 HydrophobicContact CD1-CD2 4.32Å; F153-Y156 HydrophobicContact CD1-CE2 4.2Å; F153-Y156 PolarHBondContact O-N 2.91Å
154P97.3Very high98.1Very high42 Ų4233.6 Ų33.627%0.27317%0.171SC..G310 helixtrans-61.9-24.6-172.127.4-36.4000113.5G16 F150 L152 Y156 S157G16-P154 WeakPolarHBondContact O-CD 3.42Å; G16-P154 WeakPolarHBondContact O-CG 3.31Å; F150-P154 VanDerWaalsContact O-CA 3.26Å; F150-P154 WeakPolarHBondContact O-CA 3.01Å; L152-P154 VanDerWaalsContact O-CD 3.26Å; L152-P154 WeakPolarHBondContact O-CD 3.12Å; P154-Y156 PolarHBondContact O-N 3.09Å; P154-S157 VanDerWaalsContact O-CB 3.29Å; P154-S157 WeakPolarHBondContact O-CB 3.45Å; P154-S157 PolarHBondContact O-N 3.45Å; P154-S157 VanDerWaalsContact O-N 3.09Å; P154-S157 PolarHBondContact O-OG 2.95Å
155E96.6Very high98.1Very high77 Ų7730.9 Ų30.936%0.3616%0.157SC..G310 helixtrans-60.8-22.7175.464.4-91.9-129.200113.5A18 F153A18-E155 WeakPolarHBondContact CB-OE1 3.41Å; A18-E155 PolarHBondContact N-OE1 3.44Å; F153-E155 WeakPolarHBondContact CA-OE2 3.3Å; F153-E155 PolarHBondContact O-N 2.89Å; F153-E155 VanDerWaalsContact O-N 3.13Å
156Y98.1Very high98.1Very high5 Ų531.1 Ų31.12%0.0216%0.158CC..G310 helixtrans-93-3.1177.7-66.8-80.8000113.7F55 E57 P62 V67 N111 F150 F153 P154 S158 N159F55-Y156 HydrophobicContact CE1-CD2 4.35Å; F55-Y156 AromaticContact CE1-CE2 3.73Å; F55-Y156 HydrophobicContact CE1-CE2 3.73Å; F55-Y156 AromaticContact CE1-CZ 3.9Å; F55-Y156 HydrophobicContact CZ-CD1 4.42Å; F55-Y156 HydrophobicContact CZ-CD2 4.26Å; F55-Y156 HydrophobicContact CZ-CE1 4.1Å; F55-Y156 AromaticContact CZ-CE2 3.91Å; F55-Y156 HydrophobicContact CZ-CE2 3.91Å; F55-Y156 HydrophobicContact CZ-CG 4.49Å; F55-Y156 AromaticContact CZ-CZ 3.84Å; E57-Y156 VanDerWaalsContact CG-OH 3.28Å; E57-Y156 WeakPolarHBondContact CG-OH 3.45Å; E57-Y156 PolarHBondContact OE1-OH 2.97Å; P62-Y156 HydrophobicContact CB-CE1 4.46Å; P62-Y156 WeakPolarHBondContact O-CE1 3.31Å; V67-Y156 HydrophobicContact CG2-CD1 3.87Å; V67-Y156 HydrophobicContact CG2-CG 4.1Å; N111-Y156 HydrophobicContact CB-CE1 4.25Å; F150-Y156 WeakPolarHBondContact CE1-O 3.3Å; F153-Y156 HydrophobicContact CB-CD2 3.9Å; F153-Y156 HydrophobicContact CD1-CD2 4.32Å; F153-Y156 HydrophobicContact CD1-CE2 4.2Å; F153-Y156 PolarHBondContact O-N 2.91Å; P154-Y156 PolarHBondContact O-N 3.09Å; Y156-S158 PolarHBondContact O-N 2.62Å; Y156-S158 VanDerWaalsContact O-N 3.09Å; Y156-N159 WeakPolarHBondContact CA-OD1 3.37Å; Y156-N159 WeakPolarHBondContact O-CB 3.19Å; Y156-N159 PolarHBondContact O-N 3.43Å; Y156-N159 PolarHBondContact O-OD1 2.02Å
157S95.8Very high98.1Very high52 Ų5231.8 Ų31.836%0.36416%0.163SC..THydrogen-bonded Turntrans-62.4-22.2-174.2-57.80000113.8P154P154-S157 VanDerWaalsContact O-CB 3.29Å; P154-S157 WeakPolarHBondContact O-CB 3.45Å; P154-S157 PolarHBondContact O-N 3.45Å; P154-S157 VanDerWaalsContact O-N 3.09Å; P154-S157 PolarHBondContact O-OG 2.95Å
158S96.3Very high98.1Very high94 Ų9428.3 Ų28.366%0.65715%0.148SC*.THydrogen-bonded Turntrans-90.6-14.2176.867.10000114Y156 N187Y156-S158 PolarHBondContact O-N 2.62Å; Y156-S158 VanDerWaalsContact O-N 3.09Å; S158-N187 PolarHBondContact O-ND2 2.99Å
159N98.6Very high98.1Very high7 Ų726.8 Ų26.84%0.03714%0.141CC..SBendtrans-68.8150-176.1-62.948.7000109.9P62 S63 D65 V67 Y156 L161 N187P62-N159 PolarHBondContact O-ND2 2.95Å; S63-N159 PolarHBondContact O-ND2 3.34Å; D65-N159 PolarHBondContact O-ND2 3.26Å; V67-N159 HydrophobicContact CG2-CB 4.12Å; Y156-N159 WeakPolarHBondContact CA-OD1 3.37Å; Y156-N159 WeakPolarHBondContact O-CB 3.19Å; Y156-N159 PolarHBondContact O-N 3.43Å; Y156-N159 PolarHBondContact O-OD1 2.02Å; N159-L161 PolarHBondContact O-N 3.43Å; N159-N187 WeakPolarHBondContact O-CB 3.32Å; N159-N187 PolarHBondContact O-ND2 2.99Å
160E98.8Very high98.1Very high63 Ų6326.8 Ų26.829%0.29414%0.141SC..PPolyproline II helixtrans-58.7130170.8-69-167.1137.700109.6P66 V67 Y162 Q189 K468P66-E160 CarbonylContact C-O 3.18Å; P66-E160 VanDerWaalsContact CA-O 3.23Å; P66-E160 WeakPolarHBondContact CA-O 3.42Å; P66-E160 HydrophobicContact CB-CB 4.08Å; P66-E160 WeakPolarHBondContact CB-O 3.4Å; P66-E160 HydrophobicContact CG-CB 4.22Å; V67-E160 PolarHBondContact N-O 3.39Å; E160-Y162 HydrophobicContact CB-CE2 3.95Å; E160-Q189 HydrophobicContact CB-CB 4.36Å; E160-Q189 HydrophobicContact CB-CG 3.55Å; E160-Q189 HydrophobicContact CG-CG 3.56Å; E160-K468 IonicContact OE1-NZ 3.81Å; E160-K468 PolarHBondContact OE1-NZ 2.85Å
161L98.9Very high98.2Very high0 Ų026 Ų260%014%0.137CC..EExtended strand (participates in β ladder)trans-102.9129.5177.2174.563.6000110.3V67 F150 N159 L163 V180 L186 N187 L188 Q189V67-L161 HydrophobicContact CB-CD1 4.38Å; V67-L161 HydrophobicContact CG1-CD1 4.16Å; V67-L161 CarbonylContact O-C 3.54Å; V67-L161 WeakPolarHBondContact O-CA 3.39Å; F150-L161 HydrophobicContact CE2-CD1 4.45Å; F150-L161 HydrophobicContact CE2-CD2 4.11Å; F150-L161 HydrophobicContact CZ-CD1 4.2Å; F150-L161 HydrophobicContact CZ-CD2 4.39Å; N159-L161 PolarHBondContact O-N 3.43Å; L161-L163 HydrophobicContact CD1-CD2 4.17Å; L161-L163 HydrophobicContact CD2-CD2 4.25Å; L161-L163 HydrophobicContact CG-CD2 4.18Å; L161-V180 HydrophobicContact CD2-CG1 4.03Å; L161-L186 HydrophobicContact CD2-CB 4.22Å; L161-N187 WeakPolarHBondContact CB-O 3.41Å; L161-N187 PolarHBondContact N-O 3.48Å; L161-L188 WeakPolarHBondContact O-CA 3.47Å; L161-Q189 PolarHBondContact O-N 2.83Å
162Y98.9Very high98.2Very high0 Ų019 Ų190%011%0.111CC..EExtended strand (participates in β ladder)trans-120.3139.5169.7-67-98.2000110.5P66 V67 V68 L69 E160 Q189 G190 F465 I466 K468P66-Y162 HydrophobicContact CB-CD2 3.82Å; P66-Y162 HydrophobicContact CB-CE2 3.9Å; P66-Y162 HydrophobicContact CG-CD2 4.47Å; P66-Y162 HydrophobicContact CG-CE2 4.08Å; V67-Y162 PolarHBondContact O-N 3.31Å; V68-Y162 WeakPolarHBondContact CA-O 3.5Å; L69-Y162 PolarHBondContact N-O 3.47Å; E160-Y162 HydrophobicContact CB-CE2 3.95Å; Y162-Q189 HydrophobicContact CD2-CB 4.42Å; Y162-Q189 HydrophobicContact CE1-CB 4Å; Y162-Q189 HydrophobicContact CE2-CB 3.86Å; Y162-G190 WeakPolarHBondContact CA-O 3.46Å; Y162-F465 HydrophobicContact CD1-CD1 4.28Å; Y162-F465 AromaticContact CD1-CE1 3.31Å; Y162-F465 HydrophobicContact CD1-CE1 3.31Å; Y162-F465 AromaticContact CD1-CZ 3.54Å; Y162-F465 HydrophobicContact CD1-CZ 3.54Å; Y162-F465 HydrophobicContact CE1-CD1 4.43Å; Y162-F465 AromaticContact CE1-CE1 3.76Å; Y162-F465 HydrophobicContact CE1-CE1 3.76Å; Y162-F465 AromaticContact CE1-CZ 3.88Å; Y162-F465 HydrophobicContact CE1-CZ 3.88Å; Y162-F465 HydrophobicContact CG-CE1 4.16Å; Y162-I466 HydrophobicContact CD1-CD1 4.09Å; Y162-I466 HydrophobicContact CD2-CD1 3.72Å; Y162-I466 HydrophobicContact CE1-CD1 4.25Å; Y162-I466 HydrophobicContact CE2-CD1 3.93Å; Y162-I466 HydrophobicContact CG-CD1 3.8Å; Y162-I466 PolarHBondContact OH-O 3.34Å; Y162-K468 VanDerWaalsContact OH-CE 3.3Å; Y162-K468 WeakPolarHBondContact OH-CE 3.36Å
163L98.9Very high98.3Very high0 Ų017.3 Ų17.30%010%0.102CC..EExtended strand (participates in β ladder)trans-107.2117.2176.4-52.2175.5000108.6L69 L146 L161 I173 L176 A177 V180 L188 G190 V191 A192L69-L163 HydrophobicContact CB-CD2 4.05Å; L69-L163 HydrophobicContact CD2-CD2 3.88Å; L146-L163 HydrophobicContact CD1-CD2 3.82Å; L161-L163 HydrophobicContact CD1-CD2 4.17Å; L161-L163 HydrophobicContact CD2-CD2 4.25Å; L161-L163 HydrophobicContact CG-CD2 4.18Å; L163-I173 HydrophobicContact CB-CD1 4.27Å; L163-I173 HydrophobicContact CB-CG2 3.98Å; L163-L176 HydrophobicContact CD1-CD2 4.32Å; L163-L176 HydrophobicContact CD1-CG 4.1Å; L163-L176 HydrophobicContact CD2-CD2 4.26Å; L163-A177 HydrophobicContact CD1-CB 3.79Å; L163-V180 HydrophobicContact CD1-CB 4.22Å; L163-V180 HydrophobicContact CD1-CG1 4.43Å; L163-V180 HydrophobicContact CD1-CG2 4.11Å; L163-L188 HydrophobicContact CD1-CD1 3.87Å; L163-L188 HydrophobicContact CG-CD1 3.75Å; L163-G190 PolarHBondContact N-O 2.89Å; L163-V191 HydrophobicContact CB-CG2 4.34Å; L163-V191 VanDerWaalsContact O-CA 3.25Å; L163-V191 WeakPolarHBondContact O-CA 3.39Å; L163-A192 PolarHBondContact O-N 3.28Å
164T99Very high98.3Very high0 Ų017.3 Ų17.30%010%0.102CC..EExtended strand (participates in β ladder)trans-130.8151.3-175.767.60000111.7V68 L69 W70 L71 I173 A192V68-T164 HydrophobicContact CG1-CG2 3.76Å; V68-T164 WeakPolarHBondContact CG1-OG1 3.35Å; L69-T164 CarbonylContact O-C 3.47Å; L69-T164 WeakPolarHBondContact O-CA 3.31Å; L69-T164 WeakPolarHBondContact O-CB 3Å; L69-T164 PolarHBondContact O-N 3.42Å; L69-T164 PolarHBondContact O-OG1 3.32Å; W70-T164 CarbonylContact C-O 3.45Å; W70-T164 VanDerWaalsContact CA-O 3.29Å; W70-T164 WeakPolarHBondContact CA-O 3.42Å; L71-T164 PolarHBondContact N-O 2.83Å; T164-I173 WeakPolarHBondContact O-CD1 3.23Å; T164-A192 WeakPolarHBondContact CA-O 3.48Å; T164-A192 HydrophobicContact CG2-CB 3.92Å
165G98.8Very high98.4Very high0 Ų015.5 Ų15.50%09%0.09CC..EExtended strand (participates in β ladder)trans-174.2179.7176.900000113L71 A192 V193 G194L71-G165 CarbonylContact O-C 3.5Å; L71-G165 WeakPolarHBondContact O-CA 3.49Å; G165-A192 PolarHBondContact N-O 3.07Å; G165-A192 VanDerWaalsContact N-O 3.15Å; G165-V193 WeakPolarHBondContact O-CA 3.45Å; G165-G194 PolarHBondContact O-N 3.39Å
166E98.9Very high98.5Very high5 Ų511.8 Ų11.82%0.0237%0.073CC..EExtended strand (participates in β ladder)trans-133.9152.6-174.3-174.9174.510000112W70 L71 G73 Y168 G169 G194 H448 M449W70-E166 HydrophobicContact CH2-CB 3.8Å; W70-E166 HydrophobicContact CZ2-CB 3.81Å; L71-E166 PolarHBondContact O-N 3.45Å; G73-E166 WeakPolarHBondContact CA-O 3.38Å; G73-E166 PolarHBondContact N-O 3.42Å; E166-Y168 PolarHBondContact O-N 2.91Å; E166-G169 VanDerWaalsContact O-CA 3.28Å; E166-G169 WeakPolarHBondContact O-CA 3.1Å; E166-G169 PolarHBondContact O-N 3.25Å; E166-G194 CarbonylContact C-O 3.45Å; E166-G194 WeakPolarHBondContact CA-O 3.32Å; E166-G194 WeakPolarHBondContact CG-O 3.29Å; E166-H448 VanDerWaalsContact CD-O 3.27Å; E166-H448 IonicContact OE1-CD2 3.3Å; E166-M449 WeakPolarHBondContact OE1-CG 3.19Å; E166-M449 WeakPolarHBondContact OE2-CA 3.36Å
167S98.7Very high98.6Very high15 Ų1511.6 Ų11.611%0.1057%0.072CC..THydrogen-bonded Turntrans65.7-122.3169.6-165.50000111.8G169 G170 G194 N195 G196 M197 H448S167-G169 PolarHBondContact O-N 3.05Å; S167-G169 VanDerWaalsContact O-N 3.07Å; S167-G170 PolarHBondContact O-N 2.91Å; S167-G194 PolarHBondContact N-O 2.73Å; S167-N195 WeakPolarHBondContact CA-O 3.41Å; S167-N195 PolarHBondContact N-O 3.03Å; S167-G196 WeakPolarHBondContact O-CA 3.43Å; S167-M197 PolarHBondContact O-N 2.98Å; S167-H448 WeakPolarHBondContact CB-NE2 3.42Å; S167-H448 PolarHBondContact OG-CE1 3.2Å; S167-H448 PolarHBondContact OG-NE2 3.12Å
168Y98.8Very high98.7Very high1 Ų111.4 Ų11.40%0.0047%0.066CC..THydrogen-bonded Turntrans-59.8-13.9169.2-148.4-89.3000113.6P75 D135 E166 G170 I171 Y172 Y200 Y362 R364P75-Y168 HydrophobicContact CB-CD1 3.92Å; P75-Y168 HydrophobicContact CB-CD2 4.47Å; P75-Y168 HydrophobicContact CB-CE1 4.03Å; P75-Y168 HydrophobicContact CB-CG 4.14Å; P75-Y168 HydrophobicContact CG-CD2 4.34Å; P75-Y168 HydrophobicContact CG-CE1 4.42Å; P75-Y168 HydrophobicContact CG-CE2 4.17Å; P75-Y168 HydrophobicContact CG-CG 4.5Å; D135-Y168 PolarHBondContact OD1-OH 2.96Å; E166-Y168 PolarHBondContact O-N 2.91Å; Y168-G170 PolarHBondContact O-N 3.44Å; Y168-G170 VanDerWaalsContact O-N 3.11Å; Y168-I171 HydrophobicContact CD1-CB 4.07Å; Y168-I171 HydrophobicContact CD1-CG1 4.37Å; Y168-I171 HydrophobicContact CE1-CB 3.83Å; Y168-I171 HydrophobicContact CE1-CG1 4.07Å; Y168-I171 HydrophobicContact CE1-CG2 4.06Å; Y168-I171 HydrophobicContact CE2-CG1 4.4Å; Y168-I171 PolarHBondContact O-N 3.18Å; Y168-Y172 AromaticContact CD1-CD1 3.94Å; Y168-Y172 HydrophobicContact CD1-CD1 3.94Å; Y168-Y172 HydrophobicContact CD1-CD2 4.46Å; Y168-Y172 AromaticContact CD1-CE1 3.41Å; Y168-Y172 HydrophobicContact CD1-CE1 3.41Å; Y168-Y172 VanDerWaalsContact CD1-CE1 3.41Å; Y168-Y172 AromaticContact CD1-CE2 3.99Å; Y168-Y172 HydrophobicContact CD1-CE2 3.99Å; Y168-Y172 HydrophobicContact CD1-CG 4.45Å; Y168-Y172 AromaticContact CD1-CZ 3.45Å; Y168-Y172 VanDerWaalsContact CD1-CZ 3.45Å; Y168-Y172 HydrophobicContact CE1-CD1 4.26Å; Y168-Y172 AromaticContact CE1-CE1 3.67Å; Y168-Y172 HydrophobicContact CE1-CE1 3.67Å; Y168-Y172 PolarHBondContact O-N 2.96Å; Y168-Y172 VanDerWaalsContact O-N 3.16Å; Y168-Y200 WeakPolarHBondContact CE2-OH 3.04Å; Y168-Y200 PolarHBondContact OH-OH 3.31Å; Y168-Y362 AromaticContact CE1-CE1 3.9Å; Y168-Y362 HydrophobicContact CE1-CE1 3.9Å; Y168-R364 WeakPolarHBondContact OH-CG 3.47Å
169G98.6Very high98.8Very high0 Ų010.3 Ų10.30%05%0.047CC..Hα-helixtrans-51-25.2161.800000113.2E166 S167 I171 Y172 I173E166-G169 VanDerWaalsContact O-CA 3.28Å; E166-G169 WeakPolarHBondContact O-CA 3.1Å; E166-G169 PolarHBondContact O-N 3.25Å; S167-G169 PolarHBondContact O-N 3.05Å; S167-G169 VanDerWaalsContact O-N 3.07Å; G169-I171 PolarHBondContact O-N 3.46Å; G169-Y172 PolarHBondContact O-N 2.81Å; G169-I173 VanDerWaalsContact O-CB 3.22Å; G169-I173 WeakPolarHBondContact O-CB 3.04Å; G169-I173 VanDerWaalsContact O-CG1 3.22Å; G169-I173 WeakPolarHBondContact O-CG1 3.27Å; G169-I173 PolarHBondContact O-N 3.33Å
170G98.7Very high98.8Very high0 Ų010 Ų100%05%0.046CC..Hα-helixtrans-63.8-19.9170.200000115.3S167 Y168 P174 V193 M197S167-G170 PolarHBondContact O-N 2.91Å; Y168-G170 PolarHBondContact O-N 3.44Å; Y168-G170 VanDerWaalsContact O-N 3.11Å; G170-P174 WeakPolarHBondContact O-CD 3.32Å; G170-P174 VanDerWaalsContact O-CG 3.24Å; G170-P174 WeakPolarHBondContact O-CG 3.2Å; G170-V193 VanDerWaalsContact CA-CG1 3.5Å; G170-M197 CarbonylContact C-O 3.54Å
171I98.9Very high98.7Very high0 Ų08.8 Ų8.80%04%0.04CC..Hα-helixtrans-93.4-45.6167.6-57.6-62.2000110.5D135 Y168 G169 I173 T175 M197 Y200 V369D135-I171 HydrophobicContact CB-CG2 4.33Å; Y168-I171 HydrophobicContact CD1-CB 4.07Å; Y168-I171 HydrophobicContact CD1-CG1 4.37Å; Y168-I171 HydrophobicContact CE1-CB 3.83Å; Y168-I171 HydrophobicContact CE1-CG1 4.07Å; Y168-I171 HydrophobicContact CE1-CG2 4.06Å; Y168-I171 HydrophobicContact CE2-CG1 4.4Å; Y168-I171 PolarHBondContact O-N 3.18Å; G169-I171 PolarHBondContact O-N 3.46Å; I171-I173 PolarHBondContact O-N 3.04Å; I171-T175 HydrophobicContact CG2-CG2 4.49Å; I171-T175 WeakPolarHBondContact O-CB 3.21Å; I171-T175 VanDerWaalsContact O-CG2 3.29Å; I171-T175 WeakPolarHBondContact O-CG2 3.2Å; I171-T175 PolarHBondContact O-N 3.36Å; I171-T175 PolarHBondContact O-OG1 3.45Å; I171-M197 WeakPolarHBondContact CD1-O 3.2Å; I171-M197 HydrophobicContact CG1-CB 4.48Å; I171-M197 HydrophobicContact CG1-CG 4.5Å; I171-M197 WeakPolarHBondContact CG1-O 3.42Å; I171-Y200 HydrophobicContact CD1-CE2 4.5Å; I171-V369 HydrophobicContact CD1-CG1 3.72Å
172Y98.9Very high98.6Very high3 Ų315.3 Ų15.31%0.0127%0.071CC..Hα-helixtrans-60.9-46.2-176.4-59.9-31.4000113P75 V138 Y168 G169 T175 L176 Y362P75-Y172 WeakPolarHBondContact CA-OH 3.46Å; P75-Y172 WeakPolarHBondContact CB-OH 3.28Å; V138-Y172 HydrophobicContact CG1-CD1 3.96Å; V138-Y172 HydrophobicContact CG1-CE1 3.89Å; Y168-Y172 AromaticContact CD1-CD1 3.94Å; Y168-Y172 HydrophobicContact CD1-CD1 3.94Å; Y168-Y172 HydrophobicContact CD1-CD2 4.46Å; Y168-Y172 AromaticContact CD1-CE1 3.41Å; Y168-Y172 HydrophobicContact CD1-CE1 3.41Å; Y168-Y172 VanDerWaalsContact CD1-CE1 3.41Å; Y168-Y172 AromaticContact CD1-CE2 3.99Å; Y168-Y172 HydrophobicContact CD1-CE2 3.99Å; Y168-Y172 HydrophobicContact CD1-CG 4.45Å; Y168-Y172 AromaticContact CD1-CZ 3.45Å; Y168-Y172 VanDerWaalsContact CD1-CZ 3.45Å; Y168-Y172 HydrophobicContact CE1-CD1 4.26Å; Y168-Y172 AromaticContact CE1-CE1 3.67Å; Y168-Y172 HydrophobicContact CE1-CE1 3.67Å; Y168-Y172 PolarHBondContact O-N 2.96Å; Y168-Y172 VanDerWaalsContact O-N 3.16Å; G169-Y172 PolarHBondContact O-N 2.81Å; Y172-T175 PolarHBondContact O-OG1 3.34Å; Y172-T175 VanDerWaalsContact O-OG1 3.06Å; Y172-L176 WeakPolarHBondContact O-CB 3.24Å; Y172-L176 PolarHBondContact O-N 3.07Å; Y172-Y362 WeakPolarHBondContact CE1-OH 3.25Å
173I98.9Very high98.5Very high0 Ų016.4 Ų16.40%08%0.076CC..Hα-helixtrans-71.5-49.3-170.6-63.4-66.6000111.7L71 L163 T164 G169 I171 T175 L176 A177 V191 V193L71-I173 HydrophobicContact CB-CD1 4.21Å; L71-I173 HydrophobicContact CD1-CD1 3.79Å; L71-I173 HydrophobicContact CG-CD1 4.1Å; L163-I173 HydrophobicContact CB-CD1 4.27Å; L163-I173 HydrophobicContact CB-CG2 3.98Å; T164-I173 WeakPolarHBondContact O-CD1 3.23Å; G169-I173 VanDerWaalsContact O-CB 3.22Å; G169-I173 WeakPolarHBondContact O-CB 3.04Å; G169-I173 VanDerWaalsContact O-CG1 3.22Å; G169-I173 WeakPolarHBondContact O-CG1 3.27Å; G169-I173 PolarHBondContact O-N 3.33Å; I171-I173 PolarHBondContact O-N 3.04Å; I173-T175 PolarHBondContact O-N 3.09Å; I173-L176 PolarHBondContact O-N 2.99Å; I173-A177 WeakPolarHBondContact O-CB 3.32Å; I173-A177 PolarHBondContact O-N 3.12Å; I173-V191 HydrophobicContact CG2-CB 4.41Å; I173-V191 HydrophobicContact CG2-CG1 3.36Å; I173-V191 HydrophobicContact CG2-CG2 4.39Å; I173-V193 HydrophobicContact CB-CG2 4.03Å; I173-V193 HydrophobicContact CG2-CG2 4.07Å
174P98.8Very high98.4Very high0 Ų022.4 Ų22.40%012%0.119CC..Hα-helixtrans-65.1-37.2178-24.437.4000113.1G170 A177 E178 V369 Q372 Y373G170-P174 WeakPolarHBondContact O-CD 3.32Å; G170-P174 VanDerWaalsContact O-CG 3.24Å; G170-P174 WeakPolarHBondContact O-CG 3.2Å; P174-A177 PolarHBondContact O-N 2.99Å; P174-E178 PolarHBondContact O-N 3.22Å; P174-V369 HydrophobicContact CB-CB 4.16Å; P174-V369 HydrophobicContact CB-CG1 4.42Å; P174-V369 HydrophobicContact CB-CG2 4.5Å; P174-V369 HydrophobicContact CG-CB 4.38Å; P174-V369 HydrophobicContact CG-CG2 4.21Å; P174-Q372 HydrophobicContact CB-CB 3.72Å; P174-Q372 HydrophobicContact CB-CG 4.45Å; P174-Y373 HydrophobicContact CB-CD2 4.14Å; P174-Y373 HydrophobicContact CB-CE2 3.97Å; P174-Y373 HydrophobicContact CG-CD2 4.05Å; P174-Y373 HydrophobicContact CG-CE2 3.37Å
175T98.9Very high98.2Very high3 Ų325.4 Ų25.42%0.01814%0.139CC..Hα-helixtrans-70-35.9176.857.60000112.1S139 I171 Y172 I173 Y366 Q372S139-T175 VanDerWaalsContact OG-C 3.3Å; S139-T175 PolarHBondContact OG-O 3.43Å; I171-T175 HydrophobicContact CG2-CG2 4.49Å; I171-T175 WeakPolarHBondContact O-CB 3.21Å; I171-T175 VanDerWaalsContact O-CG2 3.29Å; I171-T175 WeakPolarHBondContact O-CG2 3.2Å; I171-T175 PolarHBondContact O-N 3.36Å; I171-T175 PolarHBondContact O-OG1 3.45Å; Y172-T175 PolarHBondContact O-OG1 3.34Å; Y172-T175 VanDerWaalsContact O-OG1 3.06Å; I173-T175 PolarHBondContact O-N 3.09Å; T175-Y366 HydrophobicContact CG2-CD2 3.92Å; T175-Y366 HydrophobicContact CG2-CE2 3.87Å; T175-Y366 HydrophobicContact CG2-CG 4.49Å; T175-Q372 HydrophobicContact CG2-CG 4.22Å
176L98.9Very high98.2Very high0 Ų025.9 Ų25.90%014%0.142CC..Hα-helixtrans-67.5-45.7171.6175.759.3000111.5L69 L71 N142 L146 L163 Y172 I173 E178 R179 V180L69-L176 HydrophobicContact CD2-CD2 3.5Å; L69-L176 VanDerWaalsContact CD2-CD2 3.5Å; L71-L176 HydrophobicContact CD1-CD2 4.44Å; N142-L176 HydrophobicContact CB-CD1 3.93Å; N142-L176 HydrophobicContact CB-CD2 4.08Å; L146-L176 HydrophobicContact CD1-CD1 4.28Å; L146-L176 HydrophobicContact CD1-CD2 4.07Å; L146-L176 HydrophobicContact CD1-CG 4.45Å; L163-L176 HydrophobicContact CD1-CD2 4.32Å; L163-L176 HydrophobicContact CD1-CG 4.1Å; L163-L176 HydrophobicContact CD2-CD2 4.26Å; Y172-L176 WeakPolarHBondContact O-CB 3.24Å; Y172-L176 PolarHBondContact O-N 3.07Å; I173-L176 PolarHBondContact O-N 2.99Å; L176-E178 VanDerWaalsContact C-N 3.25Å; L176-E178 PolarHBondContact O-N 2.84Å; L176-R179 WeakPolarHBondContact O-CB 3.01Å; L176-R179 PolarHBondContact O-N 2.79Å; L176-V180 HydrophobicContact CD1-CG2 3.89Å; L176-V180 HydrophobicContact CG-CG2 4.08Å; L176-V180 WeakPolarHBondContact O-CG2 3.28Å; L176-V180 PolarHBondContact O-N 3.2Å
177A98.8Very high98.2Very high0 Ų028.4 Ų28.40%016%0.156CC..Hα-helixtrans-60.6-35.6-178.900000111.9L163 I173 P174 R179 V180 M181 V191 L376L163-A177 HydrophobicContact CD1-CB 3.79Å; I173-A177 WeakPolarHBondContact O-CB 3.32Å; I173-A177 PolarHBondContact O-N 3.12Å; P174-A177 PolarHBondContact O-N 2.99Å; A177-R179 VanDerWaalsContact C-N 3.25Å; A177-R179 PolarHBondContact O-N 2.93Å; A177-V180 PolarHBondContact O-N 3.44Å; A177-M181 VanDerWaalsContact O-CB 3.3Å; A177-M181 WeakPolarHBondContact O-CB 3.45Å; A177-M181 VanDerWaalsContact O-CG 3.25Å; A177-M181 WeakPolarHBondContact O-CG 3.49Å; A177-M181 PolarHBondContact O-N 3.17Å; A177-V191 HydrophobicContact CB-CG2 3.73Å; A177-L376 HydrophobicContact CB-CD1 3.82Å; A177-L376 HydrophobicContact CB-CD2 3.7Å; A177-L376 HydrophobicContact CB-CG 4.33Å
178E97.9Very high98.2Very high49 Ų4928.1 Ų28.123%0.22915%0.153CC..Hα-helixtrans-57.5-34.8171.9173.6167.7-143.200113.1P174 L176 M181 K375P174-E178 PolarHBondContact O-N 3.22Å; L176-E178 VanDerWaalsContact C-N 3.25Å; L176-E178 PolarHBondContact O-N 2.84Å; E178-M181 WeakPolarHBondContact O-CG 3.46Å; E178-K375 HydrophobicContact CG-CD 3.89Å; E178-K375 WeakPolarHBondContact OE1-CD 3.21Å; E178-K375 IonicContact OE1-NZ 3.43Å; E178-K375 PolarHBondContact OE1-NZ 2.84Å
179R98.2Very high98.2Very high71 Ų7129.9 Ų29.927%0.26816%0.161SC..Hα-helixtrans-79.6-46.8175.7-59.6-176179.9-77.16.4111.6T136 S139 Y143 L176 A177 M181 E182T136-R179 PolarHBondContact O-NH2 2.7Å; T136-R179 VanDerWaalsContact O-NH2 3.17Å; S139-R179 VanDerWaalsContact OG-CD 3.31Å; S139-R179 WeakPolarHBondContact OG-CD 3.32Å; S139-R179 PolarHBondContact OG-NE 3.15Å; Y143-R179 HydrophobicContact CD2-CB 4.08Å; Y143-R179 HydrophobicContact CG-CB 4.11Å; L176-R179 WeakPolarHBondContact O-CB 3.01Å; L176-R179 PolarHBondContact O-N 2.79Å; A177-R179 VanDerWaalsContact C-N 3.25Å; A177-R179 PolarHBondContact O-N 2.93Å; R179-M181 VanDerWaalsContact C-N 3.28Å; R179-M181 PolarHBondContact O-N 2.7Å; R179-E182 PolarHBondContact O-N 3.33Å; R179-E182 VanDerWaalsContact O-N 3.13Å
180V98.6Very high98.2Very high1 Ų129.9 Ų29.91%0.00616%0.161CC..Hα-helixtrans-62-37.4-177.5173.20000111.1Y143 L146 L161 L163 L176 A177 E182 D183 L186 L188Y143-V180 HydrophobicContact CD2-CG2 4.15Å; L146-V180 HydrophobicContact CD1-CG2 3.9Å; L161-V180 HydrophobicContact CD2-CG1 4.03Å; L163-V180 HydrophobicContact CD1-CB 4.22Å; L163-V180 HydrophobicContact CD1-CG1 4.43Å; L163-V180 HydrophobicContact CD1-CG2 4.11Å; L176-V180 HydrophobicContact CD1-CG2 3.89Å; L176-V180 HydrophobicContact CG-CG2 4.08Å; L176-V180 WeakPolarHBondContact O-CG2 3.28Å; L176-V180 PolarHBondContact O-N 3.2Å; A177-V180 PolarHBondContact O-N 3.44Å; V180-E182 PolarHBondContact O-N 3.03Å; V180-D183 PolarHBondContact O-N 2.93Å; V180-L186 HydrophobicContact CB-CD1 4.35Å; V180-L186 HydrophobicContact CG1-CB 3.88Å; V180-L186 HydrophobicContact CG1-CD1 3.86Å; V180-L186 HydrophobicContact CG2-CD1 4.08Å; V180-L188 HydrophobicContact CB-CD2 4.4Å; V180-L188 HydrophobicContact CG1-CB 3.92Å; V180-L188 HydrophobicContact CG1-CD1 4.31Å; V180-L188 HydrophobicContact CG1-CD2 4.03Å; V180-L188 HydrophobicContact CG1-CG 4.31Å
181M97.6Very high98.2Very high37 Ų3729.9 Ų29.918%0.18216%0.161CC..THydrogen-bonded Turntrans-64.9-19.1179.170177.5-72.800114.2A177 E178 R179 L188 K375 L376 A379 Y382A177-M181 VanDerWaalsContact O-CB 3.3Å; A177-M181 WeakPolarHBondContact O-CB 3.45Å; A177-M181 VanDerWaalsContact O-CG 3.25Å; A177-M181 WeakPolarHBondContact O-CG 3.49Å; A177-M181 PolarHBondContact O-N 3.17Å; E178-M181 WeakPolarHBondContact O-CG 3.46Å; R179-M181 VanDerWaalsContact C-N 3.28Å; R179-M181 PolarHBondContact O-N 2.7Å; M181-L188 HydrophobicContact CB-CD2 4.16Å; M181-K375 HydrophobicContact CE-CG 4.04Å; M181-K375 HydrophobicContact SD-CD 4.33Å; M181-K375 HydrophobicContact SD-CG 3.92Å; M181-L376 HydrophobicContact CB-CD2 4.43Å; M181-L376 HydrophobicContact SD-CD2 3.71Å; M181-L376 HydrophobicContact SD-CG 4.3Å; M181-A379 HydrophobicContact CE-CB 4.18Å; M181-Y382 HydrophobicContact CB-CE2 3.77Å; M181-Y382 VanDerWaalsContact CB-OH 3.26Å; M181-Y382 WeakPolarHBondContact CB-OH 3.45Å; M181-Y382 HydrophobicContact CE-CE2 4.07Å
182E96.9Very high98.2Very high136 Ų13630 Ų3064%0.63616%0.163SC*.THydrogen-bonded Turntrans-88.9-13.6176.8-64.5179.6173.700112.4R179 V180 K375R179-E182 PolarHBondContact O-N 3.33Å; R179-E182 VanDerWaalsContact O-N 3.13Å; V180-E182 PolarHBondContact O-N 3.03Å; E182-K375 WeakPolarHBondContact OE1-CE 3.33Å; E182-K375 IonicContact OE1-NZ 3.63Å; E182-K375 PolarHBondContact OE1-NZ 2.97Å
183D97.6Very high98.2Very high23 Ų2329.9 Ų29.912%0.12316%0.162CC..  trans-100.1101177.7-171.2-15000111.5Y143 K147 V180 S185 L186Y143-D183 HydrophobicContact CE2-CB 4Å; Y143-D183 PolarHBondContact OH-OD2 2.89Å; K147-D183 VanDerWaalsContact CD-OD2 3.23Å; K147-D183 WeakPolarHBondContact CD-OD2 3.39Å; K147-D183 WeakPolarHBondContact CE-OD2 3.24Å; K147-D183 IonicContact NZ-OD1 3.61Å; K147-D183 IonicContact NZ-OD2 2.91Å; K147-D183 PolarHBondContact NZ-OD2 3.12Å; V180-D183 PolarHBondContact O-N 2.93Å; D183-S185 PolarHBondContact O-N 3.17Å; D183-S185 VanDerWaalsContact OD1-CB 3.3Å; D183-S185 WeakPolarHBondContact OD1-CB 3.47Å; D183-S185 PolarHBondContact OD1-N 3.18Å; D183-S185 PolarHBondContact OD1-OG 3.42Å; D183-S185 PolarHBondContact OD2-OG 3.49Å; D183-L186 HydrophobicContact CB-CD1 4.27Å; D183-L186 HydrophobicContact CB-CG 4.39Å; D183-L186 PolarHBondContact O-N 2.95Å
184S95.4Very high98.2Very high127 Ų12729.9 Ų29.989%0.88816%0.162SC*.THydrogen-bonded Turntrans-61.5-14177.961.60000115.5L186S184-L186 VanDerWaalsContact C-N 3.28Å
185S96.3Very high98.2Very high62 Ų6229.9 Ų29.943%0.43416%0.162SC..THydrogen-bonded Turntrans-78.4-12.6174.469.20000113.3K147 D183K147-S185 PolarHBondContact NZ-OG 2.85Å; D183-S185 PolarHBondContact O-N 3.17Å; D183-S185 VanDerWaalsContact OD1-CB 3.3Å; D183-S185 WeakPolarHBondContact OD1-CB 3.47Å; D183-S185 PolarHBondContact OD1-N 3.18Å; D183-S185 PolarHBondContact OD1-OG 3.42Å; D183-S185 PolarHBondContact OD2-OG 3.49Å
186L97.9Very high98.2Very high11 Ų1129.9 Ų29.96%0.05816%0.162CC..SBendtrans-104.5116176.4-60177.9000109.3Y143 K147 F150 L161 V180 D183 S184 L188Y143-L186 HydrophobicContact CD2-CD1 4.31Å; Y143-L186 HydrophobicContact CE2-CD1 4Å; K147-L186 HydrophobicContact CD-CD1 4.23Å; K147-L186 HydrophobicContact CD-CD2 4.44Å; K147-L186 HydrophobicContact CD-CG 4.45Å; F150-L186 HydrophobicContact CD2-CD2 3.29Å; F150-L186 HydrophobicContact CE2-CD2 3.56Å; F150-L186 HydrophobicContact CG-CD2 4.23Å; L161-L186 HydrophobicContact CD2-CB 4.22Å; V180-L186 HydrophobicContact CB-CD1 4.35Å; V180-L186 HydrophobicContact CG1-CB 3.88Å; V180-L186 HydrophobicContact CG1-CD1 3.86Å; V180-L186 HydrophobicContact CG2-CD1 4.08Å; D183-L186 HydrophobicContact CB-CD1 4.27Å; D183-L186 HydrophobicContact CB-CG 4.39Å; D183-L186 PolarHBondContact O-N 2.95Å; S184-L186 VanDerWaalsContact C-N 3.28Å; L186-L188 PolarHBondContact O-N 2.8Å
187N98.1Very high98.1Very high58 Ų5830 Ų3031%0.3116%0.163SC..  trans-79.560.6-175.2-175.118000112.7S158 N159 L161 Q189S158-N187 PolarHBondContact O-ND2 2.99Å; N159-N187 WeakPolarHBondContact O-CB 3.32Å; N159-N187 PolarHBondContact O-ND2 2.99Å; L161-N187 WeakPolarHBondContact CB-O 3.41Å; L161-N187 PolarHBondContact N-O 3.48Å; N187-Q189 PolarHBondContact O-N 3.34Å; N187-Q189 PolarHBondContact OD1-NE2 3.18Å
188L98.8Very high98.1Very high8 Ų830 Ų304%0.04216%0.163CC..EExtended strand (participates in β ladder)trans-63127-179.6-177.465.1000111.7L161 L163 V180 M181 L186 Y382L161-L188 WeakPolarHBondContact O-CA 3.47Å; L163-L188 HydrophobicContact CD1-CD1 3.87Å; L163-L188 HydrophobicContact CG-CD1 3.75Å; V180-L188 HydrophobicContact CB-CD2 4.4Å; V180-L188 HydrophobicContact CG1-CB 3.92Å; V180-L188 HydrophobicContact CG1-CD1 4.31Å; V180-L188 HydrophobicContact CG1-CD2 4.03Å; V180-L188 HydrophobicContact CG1-CG 4.31Å; M181-L188 HydrophobicContact CB-CD2 4.16Å; L186-L188 PolarHBondContact O-N 2.8Å; L188-Y382 HydrophobicContact CB-CD1 4.43Å; L188-Y382 HydrophobicContact CB-CE1 3.92Å; L188-Y382 HydrophobicContact CD2-CD1 4.1Å; L188-Y382 HydrophobicContact CD2-CE1 3.81Å; L188-Y382 HydrophobicContact CD2-CE2 4.5Å; L188-Y382 HydrophobicContact CG-CD1 3.91Å; L188-Y382 HydrophobicContact CG-CE1 3.78Å; L188-Y382 WeakPolarHBondContact O-CD1 3.41Å; L188-Y382 VanDerWaalsContact O-CE1 3.27Å; L188-Y382 WeakPolarHBondContact O-CE1 3.44Å
189Q98.7Very high98.2Very high38 Ų3828.2 Ų28.218%0.17816%0.156CC..EExtended strand (participates in β ladder)trans-117.3-26.7179.3-67.1-60.5-4800113.5E160 L161 Y162 N187 Y382 R383E160-Q189 HydrophobicContact CB-CB 4.36Å; E160-Q189 HydrophobicContact CB-CG 3.55Å; E160-Q189 HydrophobicContact CG-CG 3.56Å; L161-Q189 PolarHBondContact O-N 2.83Å; Y162-Q189 HydrophobicContact CD2-CB 4.42Å; Y162-Q189 HydrophobicContact CE1-CB 4Å; Y162-Q189 HydrophobicContact CE2-CB 3.86Å; N187-Q189 PolarHBondContact O-N 3.34Å; N187-Q189 PolarHBondContact OD1-NE2 3.18Å; Q189-Y382 WeakPolarHBondContact O-CA 3.36Å; Q189-R383 PolarHBondContact O-N 2.98Å
190G98.6Very high98.2Very high0 Ų024.8 Ų24.80%014%0.143CC..EExtended strand (participates in β ladder)trans-173.8169.4-178.400000115.3Y162 L163 R383Y162-G190 WeakPolarHBondContact CA-O 3.46Å; L163-G190 PolarHBondContact N-O 2.89Å; G190-R383 CarbonylContact C-O 3.45Å; G190-R383 WeakPolarHBondContact CA-O 3.47Å
191V98.9Very high98.2Very high0 Ų029.6 Ų29.60%017%0.165CC..EExtended strand (participates in β ladder)trans-132.5134.1-178.8167.60000109L163 I173 A177 V193 L376 R383 V384 L385L163-V191 HydrophobicContact CB-CG2 4.34Å; L163-V191 VanDerWaalsContact O-CA 3.25Å; L163-V191 WeakPolarHBondContact O-CA 3.39Å; I173-V191 HydrophobicContact CG2-CB 4.41Å; I173-V191 HydrophobicContact CG2-CG1 3.36Å; I173-V191 HydrophobicContact CG2-CG2 4.39Å; A177-V191 HydrophobicContact CB-CG2 3.73Å; V191-V193 HydrophobicContact CG1-CG2 4.28Å; V191-L376 HydrophobicContact CG2-CD1 4.44Å; V191-R383 PolarHBondContact N-O 3.36Å; V191-V384 CarbonylContact O-C 3.49Å; V191-V384 WeakPolarHBondContact O-CA 3.36Å; V191-L385 PolarHBondContact O-N 3.32Å
192A98.9Very high98.2Very high4 Ų429.6 Ų29.63%0.03317%0.166CC..EExtended strand (participates in β ladder)trans-132.5130.2170.800000111.9L163 T164 G165 L385 Y387 F465L163-A192 PolarHBondContact O-N 3.28Å; T164-A192 WeakPolarHBondContact CA-O 3.48Å; T164-A192 HydrophobicContact CG2-CB 3.92Å; G165-A192 PolarHBondContact N-O 3.07Å; G165-A192 VanDerWaalsContact N-O 3.15Å; A192-L385 CarbonylContact C-O 3.48Å; A192-L385 VanDerWaalsContact CA-O 3.23Å; A192-L385 WeakPolarHBondContact CA-O 3.37Å; A192-L385 HydrophobicContact CB-CB 4.02Å; A192-L385 HydrophobicContact CB-CD2 4.32Å; A192-L385 HydrophobicContact CB-CG 4.48Å; A192-Y387 HydrophobicContact CB-CE1 4.32Å; A192-F465 HydrophobicContact CB-CD1 4.33Å; A192-F465 HydrophobicContact CB-CE1 3.87Å; A192-F465 HydrophobicContact CB-CE2 4.18Å; A192-F465 HydrophobicContact CB-CZ 3.8Å
193V98.9Very high98.3Very high0 Ų023.5 Ų23.50%014%0.137CC..EExtended strand (participates in β ladder)trans-123.1123.7178.8179.40000109.7G165 G170 I173 V191 L385 Y387G165-V193 WeakPolarHBondContact O-CA 3.45Å; G170-V193 VanDerWaalsContact CA-CG1 3.5Å; I173-V193 HydrophobicContact CB-CG2 4.03Å; I173-V193 HydrophobicContact CG2-CG2 4.07Å; V191-V193 HydrophobicContact CG1-CG2 4.28Å; V193-L385 PolarHBondContact N-O 3.42Å; V193-Y387 VanDerWaalsContact C-CE1 3.47Å; V193-Y387 VanDerWaalsContact O-CD1 3.3Å; V193-Y387 WeakPolarHBondContact O-CD1 3.49Å; V193-Y387 PolarHBondContact O-N 3.37Å
194G98.9Very high98.3Very high0 Ų022.4 Ų22.40%013%0.132CC..EExtended strand (participates in β ladder)trans-91.5131.317300000111.3G165 E166 S167 G196 Y387G165-G194 PolarHBondContact O-N 3.39Å; E166-G194 CarbonylContact C-O 3.45Å; E166-G194 WeakPolarHBondContact CA-O 3.32Å; E166-G194 WeakPolarHBondContact CG-O 3.29Å; S167-G194 PolarHBondContact N-O 2.73Å; G194-G196 VanDerWaalsContact C-N 3.27Å; G194-G196 PolarHBondContact O-N 3.43Å; G194-G196 VanDerWaalsContact O-N 3.1Å; G194-Y387 CarbonylContact C-O 3.53Å; G194-Y387 VanDerWaalsContact CA-CE1 3.49Å; G194-Y387 VanDerWaalsContact CA-O 3.23Å; G194-Y387 WeakPolarHBondContact CA-O 3.25Å; G194-Y387 VanDerWaalsContact N-CE1 3.31Å
195N98.9Very high98.5Very high0 Ų017 Ų170%09%0.093CC..SBendtrans41.955.5173.2-73.175000112.1S167 Y387 N388 G389 D392 C395 H448 V450S167-N195 WeakPolarHBondContact CA-O 3.41Å; S167-N195 PolarHBondContact N-O 3.03Å; N195-Y387 PolarHBondContact N-O 2.69Å; N195-N388 WeakPolarHBondContact CA-ND2 3.36Å; N195-N388 WeakPolarHBondContact OD1-CA 3.38Å; N195-G389 PolarHBondContact ND2-N 2.03Å; N195-G389 PolarHBondContact ND2-O 2.9Å; N195-G389 PolarHBondContact OD1-N 3.24Å; N195-D392 WeakPolarHBondContact ND2-CB 3.41Å; N195-D392 PolarHBondContact ND2-OD2 3.15Å; N195-C395 HydrophobicContact CB-CB 4.23Å; N195-C395 PolarHBondContact ND2-O 2.95Å; N195-C395 WeakPolarHBondContact O-CB 3.18Å; N195-C395 PolarHBondContact O-SG 3.35Å; N195-H448 PolarHBondContact OD1-O 3.39Å; N195-V450 WeakPolarHBondContact OD1-CG2 3.2Å
196G98.6Very high98.6Very high2 Ų214 Ų142%0.0217%0.072CC..  trans-89.2143.8-162.500000113.6S167 G194 S198 D400S167-G196 WeakPolarHBondContact O-CA 3.43Å; G194-G196 VanDerWaalsContact C-N 3.27Å; G194-G196 PolarHBondContact O-N 3.43Å; G194-G196 VanDerWaalsContact O-N 3.1Å; G196-S198 VanDerWaalsContact C-N 3.3Å; G196-S198 PolarHBondContact O-N 3.45Å; G196-D400 PolarHBondContact N-OD2 2.96Å; G196-D400 VanDerWaalsContact N-OD2 3.12Å
197M98.7Very high98.6Very high2 Ų213.5 Ų13.51%0.017%0.069CC..  trans-76.584.1163.9-174.857.36000109.9S167 G170 I171 Y200 N203 N292S167-M197 PolarHBondContact O-N 2.98Å; G170-M197 CarbonylContact C-O 3.54Å; I171-M197 WeakPolarHBondContact CD1-O 3.2Å; I171-M197 HydrophobicContact CG1-CB 4.48Å; I171-M197 HydrophobicContact CG1-CG 4.5Å; I171-M197 WeakPolarHBondContact CG1-O 3.42Å; M197-Y200 HydrophobicContact CG-CD1 4.44Å; M197-Y200 HydrophobicContact CG-CD2 4.19Å; M197-Y200 HydrophobicContact CG-CE1 4.16Å; M197-Y200 HydrophobicContact CG-CE2 3.88Å; M197-Y200 HydrophobicContact CG-CG 4.48Å; M197-Y200 HydrophobicContact SD-CD1 3.94Å; M197-Y200 HydrophobicContact SD-CD2 4.17Å; M197-Y200 HydrophobicContact SD-CE1 4.2Å; M197-Y200 HydrophobicContact SD-CE2 4.41Å; M197-Y200 HydrophobicContact SD-CG 3.95Å; M197-N203 HydrophobicContact CE-CB 4.17Å; M197-N203 WeakPolarHBondContact CE-ND2 3.41Å; M197-N203 HydrophobicContact SD-CB 4.03Å; M197-N292 HydrophobicContact CE-CB 4.18Å
198S98.6Very high98.7Very high1 Ų110.7 Ų10.71%0.0075%0.054CC..SBendtrans-88.7-28.3-179.2-53.50000113.7G196 D368 V369 D400 F403G196-S198 VanDerWaalsContact C-N 3.3Å; G196-S198 PolarHBondContact O-N 3.45Å; S198-D368 WeakPolarHBondContact O-CA 3.43Å; S198-V369 WeakPolarHBondContact O-CG2 3.48Å; S198-V369 PolarHBondContact O-N 2.86Å; S198-D400 WeakPolarHBondContact CB-OD1 3.18Å; S198-D400 PolarHBondContact OG-OD1 3.04Å; S198-F403 WeakPolarHBondContact O-CE2 3.45Å
199S98.7Very high98.7Very high11 Ų1112.6 Ų12.68%0.0776%0.061CC..BIsolated β-bridgetrans-158.8123.7174.9171.80000109.8E201 L202 N203S199-E201 VanDerWaalsContact C-N 3.32Å; S199-E201 PolarHBondContact O-N 3.36Å; S199-L202 PolarHBondContact O-N 2.79Å; S199-L202 PolarHBondContact OG-N 2.71Å; S199-N203 VanDerWaalsContact O-CB 3.3Å; S199-N203 WeakPolarHBondContact O-CB 3.48Å; S199-N203 PolarHBondContact O-N 3.32Å
200Y98.5Very high98.7Very high0 Ų010.8 Ų10.80%05%0.053CC..Hα-helixtrans-64.5-39179.2-70.1-101.2000111.4Y168 I171 M197 N203 D204 N292 I295 R364 Y366 M367Y168-Y200 WeakPolarHBondContact CE2-OH 3.04Å; Y168-Y200 PolarHBondContact OH-OH 3.31Å; I171-Y200 HydrophobicContact CD1-CE2 4.5Å; M197-Y200 HydrophobicContact CG-CD1 4.44Å; M197-Y200 HydrophobicContact CG-CD2 4.19Å; M197-Y200 HydrophobicContact CG-CE1 4.16Å; M197-Y200 HydrophobicContact CG-CE2 3.88Å; M197-Y200 HydrophobicContact CG-CG 4.48Å; M197-Y200 HydrophobicContact SD-CD1 3.94Å; M197-Y200 HydrophobicContact SD-CD2 4.17Å; M197-Y200 HydrophobicContact SD-CE1 4.2Å; M197-Y200 HydrophobicContact SD-CE2 4.41Å; M197-Y200 HydrophobicContact SD-CG 3.95Å; Y200-N203 PolarHBondContact O-N 3.13Å; Y200-D204 WeakPolarHBondContact O-CB 3.35Å; Y200-D204 VanDerWaalsContact O-CG 3.26Å; Y200-D204 PolarHBondContact O-N 3.33Å; Y200-N292 WeakPolarHBondContact CD1-O 3.33Å; Y200-N292 HydrophobicContact CE1-CB 4.26Å; Y200-N292 WeakPolarHBondContact CE1-O 3.04Å; Y200-I295 HydrophobicContact CD1-CD1 3.54Å; Y200-I295 HydrophobicContact CD1-CG1 4Å; Y200-I295 HydrophobicContact CD1-CG2 4.12Å; Y200-I295 HydrophobicContact CE1-CD1 3.82Å; Y200-I295 HydrophobicContact CE1-CG2 4.11Å; Y200-I295 HydrophobicContact CG-CD1 3.94Å; Y200-R364 WeakPolarHBondContact OH-CD 3.37Å; Y200-Y366 WeakPolarHBondContact CE2-O 3.45Å; Y200-M367 HydrophobicContact CD2-CB 4.48Å; Y200-M367 WeakPolarHBondContact CD2-O 3.28Å; Y200-M367 HydrophobicContact CD2-SD 4.14Å; Y200-M367 HydrophobicContact CE2-SD 4.36Å; Y200-M367 PolarHBondContact N-O 2.66Å; Y200-M367 VanDerWaalsContact N-O 3.09Å
201E98.2Very high98.7Very high102 Ų10210.8 Ų10.848%0.4775%0.053SC..Hα-helixtrans-62.4-49.4177.9180-177.1171.800111.6S199 N203 N205 H238S199-E201 VanDerWaalsContact C-N 3.32Å; S199-E201 PolarHBondContact O-N 3.36Å; E201-N203 VanDerWaalsContact C-N 3.34Å; E201-N205 WeakPolarHBondContact CG-ND2 3.22Å; E201-N205 VanDerWaalsContact O-CB 3.24Å; E201-N205 WeakPolarHBondContact O-CB 3.49Å; E201-N205 PolarHBondContact O-N 2.92Å; E201-N205 PolarHBondContact O-ND2 2.91Å; E201-H238 HydrophobicContact CB-CB 4.41Å; E201-H238 HydrophobicContact CG-CB 4.14Å
202L98.6Very high98.6Very high37 Ų3713.7 Ų13.719%0.1946%0.064CC..Hα-helixtrans-68.4-36-179.5-62.2179.2000111.4S199 S206 W402 F403S199-L202 PolarHBondContact O-N 2.79Å; S199-L202 PolarHBondContact OG-N 2.71Å; L202-S206 VanDerWaalsContact O-CB 3.24Å; L202-S206 WeakPolarHBondContact O-CB 3.29Å; L202-S206 PolarHBondContact O-N 2.85Å; L202-S206 PolarHBondContact O-OG 2.9Å; L202-W402 HydrophobicContact CD1-CB 4.38Å; L202-W402 HydrophobicContact CD2-CB 4.47Å; L202-W402 HydrophobicContact CD2-CE3 4.4Å; L202-F403 HydrophobicContact CD1-CB 3.85Å; L202-F403 HydrophobicContact CD1-CD2 4.33Å
203N98.7Very high98.6Very high7 Ų721 Ų214%0.0379%0.092CC..Hα-helixtrans-65.3-51.4175.8-170.761.6000112.1M197 S199 Y200 E201 N205 S206 L207 A394 C395M197-N203 HydrophobicContact CE-CB 4.17Å; M197-N203 WeakPolarHBondContact CE-ND2 3.41Å; M197-N203 HydrophobicContact SD-CB 4.03Å; S199-N203 VanDerWaalsContact O-CB 3.3Å; S199-N203 WeakPolarHBondContact O-CB 3.48Å; S199-N203 PolarHBondContact O-N 3.32Å; Y200-N203 PolarHBondContact O-N 3.13Å; E201-N203 VanDerWaalsContact C-N 3.34Å; N203-N205 VanDerWaalsContact C-N 3.34Å; N203-N205 PolarHBondContact O-N 3.48Å; N203-S206 PolarHBondContact O-N 2.91Å; N203-S206 PolarHBondContact O-OG 3.33Å; N203-L207 VanDerWaalsContact O-CB 3.22Å; N203-L207 WeakPolarHBondContact O-CB 3.19Å; N203-L207 PolarHBondContact O-N 3.26Å; N203-A394 PolarHBondContact ND2-O 2.97Å; N203-A394 VanDerWaalsContact ND2-O 3.08Å; N203-A394 PolarHBondContact OD1-O 3.07Å; N203-C395 WeakPolarHBondContact OD1-CA 3.48Å
204D98.3Very high98.6Very high0 Ų023.9 Ų23.90%011%0.106CC..Hα-helixtrans-61.1-44.5179.4-73.6-10.3000111.1Y200 L207 V208 H238 I293 F294Y200-D204 WeakPolarHBondContact O-CB 3.35Å; Y200-D204 VanDerWaalsContact O-CG 3.26Å; Y200-D204 PolarHBondContact O-N 3.33Å; D204-L207 PolarHBondContact O-N 3.18Å; D204-V208 PolarHBondContact O-N 3Å; D204-H238 HydrophobicContact CB-CB 4.16Å; D204-H238 IonicContact OD2-CE1 2.82Å; D204-H238 IonicContact OD2-CG 2.69Å; D204-H238 IonicContact OD2-ND1 3.62Å; D204-H238 PolarHBondContact OD2-ND1 3.17Å; D204-I293 WeakPolarHBondContact OD1-CG2 3.41Å; D204-F294 HydrophobicContact CB-CD1 4.07Å; D204-F294 HydrophobicContact CB-CE1 3.99Å; D204-F294 VanDerWaalsContact CG-N 3.33Å; D204-F294 PolarHBondContact OD1-N 2.82Å; D204-F294 VanDerWaalsContact OD2-CA 3.32Å; D204-F294 WeakPolarHBondContact OD2-CA 3.34Å; D204-F294 PolarHBondContact OD2-N 2.78Å
205N98.5Very high98.6Very high13 Ų1327 Ų277%0.0714%0.138CC..Hα-helixtrans-62.5-52.2179.1-76.6-33.4000111.7E201 N203 L207 V208 Y209 F237 W402E201-N205 WeakPolarHBondContact CG-ND2 3.22Å; E201-N205 VanDerWaalsContact O-CB 3.24Å; E201-N205 WeakPolarHBondContact O-CB 3.49Å; E201-N205 PolarHBondContact O-N 2.92Å; E201-N205 PolarHBondContact O-ND2 2.91Å; N203-N205 VanDerWaalsContact C-N 3.34Å; N203-N205 PolarHBondContact O-N 3.48Å; N205-L207 VanDerWaalsContact C-N 3.3Å; N205-L207 PolarHBondContact O-N 3.5Å; N205-V208 PolarHBondContact O-N 3.21Å; N205-Y209 VanDerWaalsContact O-CD2 3.27Å; N205-Y209 WeakPolarHBondContact O-CD2 3.22Å; N205-F237 WeakPolarHBondContact OD1-CA 2.97Å; N205-F237 WeakPolarHBondContact OD1-CB 3.41Å; N205-F237 PolarHBondContact OD1-N 3.39Å; N205-W402 HydrophobicContact CB-CZ3 4.2Å
206S98.7Very high98.5Very high0 Ų028.8 Ų28.80%015%0.147CC..Hα-helixtrans-64.8-33.2-178.655.80000112.6L202 N203 V208 Y209 F210 N396 G399L202-S206 VanDerWaalsContact O-CB 3.24Å; L202-S206 WeakPolarHBondContact O-CB 3.29Å; L202-S206 PolarHBondContact O-N 2.85Å; L202-S206 PolarHBondContact O-OG 2.9Å; N203-S206 PolarHBondContact O-N 2.91Å; N203-S206 PolarHBondContact O-OG 3.33Å; S206-V208 VanDerWaalsContact C-N 3.34Å; S206-V208 PolarHBondContact O-N 2.84Å; S206-Y209 WeakPolarHBondContact O-CB 3.47Å; S206-Y209 PolarHBondContact O-N 3.2Å; S206-F210 WeakPolarHBondContact O-CB 3.4Å; S206-F210 PolarHBondContact O-N 2.67Å; S206-N396 WeakPolarHBondContact CB-OD1 3.45Å; S206-N396 PolarHBondContact OG-ND2 2.89Å; S206-N396 PolarHBondContact OG-OD1 3.19Å; S206-G399 WeakPolarHBondContact OG-CA 3.5Å; S206-G399 PolarHBondContact OG-N 3.45Å
207L98.6Very high98.5Very high0 Ų029 Ų290%015%0.148CC..Hα-helixtrans-61.9-38.6178.4177.155.2000112.8N203 D204 N205 F210 A211 L256 I293 F294 M393 N396N203-L207 VanDerWaalsContact O-CB 3.22Å; N203-L207 WeakPolarHBondContact O-CB 3.19Å; N203-L207 PolarHBondContact O-N 3.26Å; D204-L207 PolarHBondContact O-N 3.18Å; N205-L207 VanDerWaalsContact C-N 3.3Å; N205-L207 PolarHBondContact O-N 3.5Å; L207-F210 WeakPolarHBondContact O-CB 3.19Å; L207-F210 PolarHBondContact O-N 2.98Å; L207-A211 WeakPolarHBondContact O-CB 3.39Å; L207-A211 PolarHBondContact O-N 3.24Å; L207-L256 HydrophobicContact CD1-CD1 4.24Å; L207-L256 HydrophobicContact CD1-CD2 4.44Å; L207-L256 HydrophobicContact CD2-CD1 3.83Å; L207-L256 HydrophobicContact CG-CD1 3.94Å; L207-I293 HydrophobicContact CD2-CD1 4.16Å; L207-I293 HydrophobicContact CD2-CG2 3.42Å; L207-I293 VanDerWaalsContact CD2-CG2 3.42Å; L207-F294 HydrophobicContact CD2-CE2 4.06Å; L207-F294 HydrophobicContact CD2-CZ 4.27Å; L207-M393 HydrophobicContact CD1-CB 3.83Å; L207-M393 HydrophobicContact CD1-CG 4.38Å; L207-M393 VanDerWaalsContact CD1-O 3.31Å; L207-M393 WeakPolarHBondContact CD1-O 3.43Å; L207-N396 PolarHBondContact N-ND2 2.76Å
208V98.6Very high98.5Very high0 Ų031.1 Ų31.10%017%0.17CC..Hα-helixtrans-67.7-39.5177.2-176.80000111.2D204 N205 S206 Y212 L217 W222 L225 F237 L249 V252 F294D204-V208 PolarHBondContact O-N 3Å; N205-V208 PolarHBondContact O-N 3.21Å; S206-V208 VanDerWaalsContact C-N 3.34Å; S206-V208 PolarHBondContact O-N 2.84Å; V208-Y212 PolarHBondContact O-N 3.02Å; V208-L217 HydrophobicContact CG1-CD1 4.27Å; V208-W222 HydrophobicContact CG1-CZ3 4.27Å; V208-L225 HydrophobicContact CG1-CD1 3.91Å; V208-F237 HydrophobicContact CB-CB 4.42Å; V208-F237 HydrophobicContact CB-CD1 4.44Å; V208-F237 HydrophobicContact CB-CD2 3.56Å; V208-F237 HydrophobicContact CB-CE2 3.78Å; V208-F237 HydrophobicContact CB-CG 3.91Å; V208-F237 HydrophobicContact CB-CZ 4.32Å; V208-F237 HydrophobicContact CG1-CD1 4.18Å; V208-F237 HydrophobicContact CG1-CD2 3.97Å; V208-F237 HydrophobicContact CG1-CE1 4.01Å; V208-F237 HydrophobicContact CG1-CE2 3.8Å; V208-F237 HydrophobicContact CG1-CG 4.15Å; V208-F237 HydrophobicContact CG1-CZ 3.82Å; V208-F237 HydrophobicContact CG2-CB 3.75Å; V208-F237 HydrophobicContact CG2-CD1 4.33Å; V208-F237 HydrophobicContact CG2-CD2 3.87Å; V208-F237 HydrophobicContact CG2-CG 3.74Å; V208-L249 HydrophobicContact CG2-CD2 3.96Å; V208-V252 HydrophobicContact CG2-CG1 4.39Å; V208-F294 HydrophobicContact CG2-CE1 4Å; V208-F294 HydrophobicContact CG2-CZ 3.83Å
209Y98.6Very high98.4Very high47 Ų4735.5 Ų35.518%0.18420%0.201CC..Hα-helixtrans-63-46.4171.4-76.2-81000111.4N205 S206 A211 Y212 Y213 W222 C235 F237 W402N205-Y209 VanDerWaalsContact O-CD2 3.27Å; N205-Y209 WeakPolarHBondContact O-CD2 3.22Å; S206-Y209 WeakPolarHBondContact O-CB 3.47Å; S206-Y209 PolarHBondContact O-N 3.2Å; Y209-A211 VanDerWaalsContact C-N 3.34Å; Y209-A211 PolarHBondContact O-N 2.95Å; Y209-Y212 PolarHBondContact O-N 2.84Å; Y209-Y213 HydrophobicContact CD1-CE2 4.03Å; Y209-Y213 VanDerWaalsContact O-CD2 3.26Å; Y209-Y213 WeakPolarHBondContact O-CD2 3.22Å; Y209-Y213 PolarHBondContact O-N 3.47Å; Y209-W222 AromaticContact CD1-CH2 3.47Å; Y209-W222 HydrophobicContact CD1-CH2 3.47Å; Y209-W222 VanDerWaalsContact CD1-CH2 3.47Å; Y209-W222 HydrophobicContact CD1-CZ2 4.1Å; Y209-W222 HydrophobicContact CD1-CZ3 4.46Å; Y209-W222 AromaticContact CE1-CH2 3.54Å; Y209-W222 HydrophobicContact CE1-CH2 3.54Å; Y209-W222 AromaticContact CE1-CZ2 4Å; Y209-W222 HydrophobicContact CE1-CZ2 4Å; Y209-W222 HydrophobicContact CG-CH2 4.22Å; Y209-C235 HydrophobicContact CE2-CB 4.37Å; Y209-C235 PolarHBondContact OH-SG 2.83Å; Y209-F237 HydrophobicContact CD2-CE2 4.05Å; Y209-F237 HydrophobicContact CE2-CD2 4.39Å; Y209-F237 AromaticContact CE2-CE2 3.72Å; Y209-F237 HydrophobicContact CE2-CE2 3.72Å; Y209-W402 AromaticContact CD2-CH2 3.83Å; Y209-W402 HydrophobicContact CD2-CH2 3.83Å; Y209-W402 HydrophobicContact CE2-CH2 4.14Å
210F98.8Very high98.4Very high0 Ų041.7 Ų41.70%023%0.228CC..Hα-helixtrans-54.5-52.3177-174.4-76.1000109.9S206 L207 Y212 Y213 H214 L266 M393 N396 F397S206-F210 WeakPolarHBondContact O-CB 3.4Å; S206-F210 PolarHBondContact O-N 2.67Å; L207-F210 WeakPolarHBondContact O-CB 3.19Å; L207-F210 PolarHBondContact O-N 2.98Å; F210-Y212 VanDerWaalsContact C-N 3.33Å; F210-Y212 PolarHBondContact O-N 3.01Å; F210-Y213 PolarHBondContact O-N 3.08Å; F210-H214 HydrophobicContact CD1-CB 4.37Å; F210-H214 AromaticContact CD1-CE1 3.99Å; F210-H214 AromaticContact CD1-CG 3.92Å; F210-H214 AromaticContact CD1-ND1 3.54Å; F210-H214 AromaticContact CD2-CE1 3.44Å; F210-H214 VanDerWaalsContact CD2-CE1 3.44Å; F210-H214 WeakPolarHBondContact CD2-CE1 3Å; F210-H214 AromaticContact CD2-ND1 3.79Å; F210-H214 HydrophobicContact CE1-CB 4.18Å; F210-H214 AromaticContact CE1-CD2 3.87Å; F210-H214 AromaticContact CE1-CE1 3.87Å; F210-H214 AromaticContact CE1-CG 3.63Å; F210-H214 AromaticContact CE1-ND1 3.63Å; F210-H214 AromaticContact CE2-CE1 3.32Å; F210-H214 WeakPolarHBondContact CE2-CE1 3.47Å; F210-H214 AromaticContact CE2-ND1 3.89Å; F210-H214 AromaticContact CE2-NE2 3.59Å; F210-H214 AromaticContact CG-CE1 3.78Å; F210-H214 AromaticContact CG-ND1 3.61Å; F210-H214 AromaticContact CZ-CD2 3.71Å; F210-H214 AromaticContact CZ-CE1 3.54Å; F210-H214 AromaticContact CZ-CG 3.91Å; F210-H214 AromaticContact CZ-ND1 3.8Å; F210-H214 AromaticContact CZ-NE2 3.52Å; F210-H214 VanDerWaalsContact O-CB 3.32Å; F210-H214 WeakPolarHBondContact O-CB 3.32Å; F210-H214 PolarHBondContact O-N 3.1Å; F210-H214 PolarHBondContact O-ND1 3.47Å; F210-L266 HydrophobicContact CE1-CD2 4Å; F210-M393 HydrophobicContact CD1-CG 3.84Å; F210-M393 HydrophobicContact CD1-SD 4.3Å; F210-M393 HydrophobicContact CE1-CG 3.45Å; F210-M393 VanDerWaalsContact CE1-CG 3.45Å; F210-M393 HydrophobicContact CE1-SD 4.05Å; F210-M393 HydrophobicContact CZ-CG 4.22Å; F210-N396 HydrophobicContact CD2-CB 3.97Å; F210-N396 HydrophobicContact CE2-CB 4.39Å; F210-N396 HydrophobicContact CG-CB 4.43Å; F210-F397 HydrophobicContact CD2-CE1 4.31Å; F210-F397 HydrophobicContact CE2-CD1 4.28Å; F210-F397 HydrophobicContact CE2-CE1 4.15Å
211A98.6Very high98.4Very high0 Ų042.7 Ų42.70%023%0.234CC..Hα-helixtrans-57.9-43.1-178.900000112.5L207 Y209 G215 L216 L217 L256L207-A211 WeakPolarHBondContact O-CB 3.39Å; L207-A211 PolarHBondContact O-N 3.24Å; Y209-A211 VanDerWaalsContact C-N 3.34Å; Y209-A211 PolarHBondContact O-N 2.95Å; A211-G215 PolarHBondContact O-N 3.38Å; A211-L216 HydrophobicContact CB-CB 4.26Å; A211-L216 HydrophobicContact CB-CD1 4.11Å; A211-L216 WeakPolarHBondContact O-CA 3.31Å; A211-L216 VanDerWaalsContact O-CB 3.22Å; A211-L216 WeakPolarHBondContact O-CB 3.35Å; A211-L216 PolarHBondContact O-N 3.4Å; A211-L217 HydrophobicContact CB-CD1 3.92Å; A211-L217 HydrophobicContact CB-CD2 4.19Å; A211-L217 HydrophobicContact CB-CG 3.84Å; A211-L217 PolarHBondContact O-N 3.43Å; A211-L256 HydrophobicContact CB-CD2 4.3Å
212Y98.6Very high98.4Very high61 Ų6139.2 Ų39.224%0.23922%0.216CC..Hα-helixtrans-65.3-52.2176.9178.9-117.1000112.3V208 Y209 F210 H214 G215 L217 W222V208-Y212 PolarHBondContact O-N 3.02Å; Y209-Y212 PolarHBondContact O-N 2.84Å; F210-Y212 VanDerWaalsContact C-N 3.33Å; F210-Y212 PolarHBondContact O-N 3.01Å; Y212-H214 PolarHBondContact O-N 3.38Å; Y212-G215 PolarHBondContact O-N 3.49Å; Y212-L217 HydrophobicContact CD2-CB 4.11Å; Y212-L217 WeakPolarHBondContact CD2-O 3.45Å; Y212-W222 AromaticContact CD1-CD1 3.91Å; Y212-W222 AromaticContact CD1-CD2 3.54Å; Y212-W222 HydrophobicContact CD1-CD2 3.54Å; Y212-W222 AromaticContact CD1-CE2 3.54Å; Y212-W222 HydrophobicContact CD1-CE3 4.05Å; Y212-W222 AromaticContact CD1-CG 3.77Å; Y212-W222 HydrophobicContact CD1-CG 3.77Å; Y212-W222 HydrophobicContact CD1-CH2 4.49Å; Y212-W222 HydrophobicContact CD1-CZ2 4.03Å; Y212-W222 AromaticContact CD1-NE1 3.76Å; Y212-W222 HydrophobicContact CD2-CB 3.48Å; Y212-W222 VanDerWaalsContact CD2-CB 3.48Å; Y212-W222 AromaticContact CD2-CD2 3.92Å; Y212-W222 HydrophobicContact CD2-CD2 3.92Å; Y212-W222 HydrophobicContact CD2-CE3 4.25Å; Y212-W222 AromaticContact CD2-CG 3.59Å; Y212-W222 HydrophobicContact CD2-CG 3.59Å; Y212-W222 HydrophobicContact CE1-CB 4.46Å; Y212-W222 AromaticContact CE1-CD1 3.4Å; Y212-W222 AromaticContact CE1-CD2 3.88Å; Y212-W222 HydrophobicContact CE1-CD2 3.88Å; Y212-W222 AromaticContact CE1-CE2 3.73Å; Y212-W222 AromaticContact CE1-CG 3.68Å; Y212-W222 HydrophobicContact CE1-CG 3.68Å; Y212-W222 HydrophobicContact CE1-CZ2 4.49Å; Y212-W222 AromaticContact CE1-NE1 3.41Å; Y212-W222 HydrophobicContact CE2-CB 3.36Å; Y212-W222 AromaticContact CE2-CD1 3.78Å; Y212-W222 HydrophobicContact CE2-CD2 4.24Å; Y212-W222 AromaticContact CE2-CG 3.49Å; Y212-W222 HydrophobicContact CE2-CG 3.49Å; Y212-W222 VanDerWaalsContact CE2-CG 3.49Å; Y212-W222 HydrophobicContact CG-CB 4.09Å; Y212-W222 AromaticContact CG-CD2 3.54Å; Y212-W222 HydrophobicContact CG-CD2 3.54Å; Y212-W222 AromaticContact CG-CE3 3.72Å; Y212-W222 HydrophobicContact CG-CE3 3.72Å; Y212-W222 AromaticContact CG-CG 3.72Å; Y212-W222 HydrophobicContact CG-CG 3.72Å; Y212-W222 HydrophobicContact CG-CZ3 4.36Å; Y212-W222 AromaticContact CZ-CD1 3.31Å; Y212-W222 AromaticContact CZ-CG 3.52Å; Y212-W222 AromaticContact CZ-NE1 3.86Å
213Y98.6Very high98.4Very high159 Ų15940.1 Ų40.162%0.62423%0.229SC*.Hα-helixtrans-73.2-13.7-175-72.5-65.3000114.1Y209 F210Y209-Y213 HydrophobicContact CD1-CE2 4.03Å; Y209-Y213 VanDerWaalsContact O-CD2 3.26Å; Y209-Y213 WeakPolarHBondContact O-CD2 3.22Å; Y209-Y213 PolarHBondContact O-N 3.47Å; F210-Y213 PolarHBondContact O-N 3.08Å
214H98.5Very high98.4Very high60 Ų6041.7 Ų41.728%0.27824%0.236SC..THydrogen-bonded Turntrans-95.210.6169.7-65.975.1000113.1F210 Y212 L266 Y267F210-H214 HydrophobicContact CD1-CB 4.37Å; F210-H214 AromaticContact CD1-CE1 3.99Å; F210-H214 AromaticContact CD1-CG 3.92Å; F210-H214 AromaticContact CD1-ND1 3.54Å; F210-H214 AromaticContact CD2-CE1 3.44Å; F210-H214 VanDerWaalsContact CD2-CE1 3.44Å; F210-H214 WeakPolarHBondContact CD2-CE1 3Å; F210-H214 AromaticContact CD2-ND1 3.79Å; F210-H214 HydrophobicContact CE1-CB 4.18Å; F210-H214 AromaticContact CE1-CD2 3.87Å; F210-H214 AromaticContact CE1-CE1 3.87Å; F210-H214 AromaticContact CE1-CG 3.63Å; F210-H214 AromaticContact CE1-ND1 3.63Å; F210-H214 AromaticContact CE2-CE1 3.32Å; F210-H214 WeakPolarHBondContact CE2-CE1 3.47Å; F210-H214 AromaticContact CE2-ND1 3.89Å; F210-H214 AromaticContact CE2-NE2 3.59Å; F210-H214 AromaticContact CG-CE1 3.78Å; F210-H214 AromaticContact CG-ND1 3.61Å; F210-H214 AromaticContact CZ-CD2 3.71Å; F210-H214 AromaticContact CZ-CE1 3.54Å; F210-H214 AromaticContact CZ-CG 3.91Å; F210-H214 AromaticContact CZ-ND1 3.8Å; F210-H214 AromaticContact CZ-NE2 3.52Å; F210-H214 VanDerWaalsContact O-CB 3.32Å; F210-H214 WeakPolarHBondContact O-CB 3.32Å; F210-H214 PolarHBondContact O-N 3.1Å; F210-H214 PolarHBondContact O-ND1 3.47Å; Y212-H214 PolarHBondContact O-N 3.38Å; H214-L266 HydrophobicContact CB-CD2 3.62Å; H214-Y267 PolarHBondContact CD2-OH 2.85Å
215G98.1Very high98.4Very high66 Ų6641.7 Ų41.768%0.6824%0.236SC*.THydrogen-bonded Turntrans80.316.5170.200000115.1A211 Y212A211-G215 PolarHBondContact O-N 3.38Å; Y212-G215 PolarHBondContact O-N 3.49Å
216L98.1Very high98.4Very high36 Ų3644.1 Ų44.119%0.18825%0.247CC..  trans-82.9-32178.3-51.8-175.4000112.3A211 I255 L256 L261 L266 M393A211-L216 HydrophobicContact CB-CB 4.26Å; A211-L216 HydrophobicContact CB-CD1 4.11Å; A211-L216 WeakPolarHBondContact O-CA 3.31Å; A211-L216 VanDerWaalsContact O-CB 3.22Å; A211-L216 WeakPolarHBondContact O-CB 3.35Å; A211-L216 PolarHBondContact O-N 3.4Å; L216-I255 HydrophobicContact CB-CG2 4.15Å; L216-L256 HydrophobicContact CD1-CD2 4.09Å; L216-L261 HydrophobicContact CD1-CD1 3.85Å; L216-L261 HydrophobicContact CD2-CD1 3.77Å; L216-L261 HydrophobicContact CD2-CD2 4.39Å; L216-L261 HydrophobicContact CG-CD1 4.36Å; L216-L266 HydrophobicContact CD1-CD1 4.12Å; L216-L266 HydrophobicContact CD2-CD1 3.88Å; L216-L266 HydrophobicContact CG-CD1 4.48Å; L216-M393 HydrophobicContact CD1-CE 4.49Å; L216-M393 HydrophobicContact CD1-SD 3.59Å; L216-M393 VanDerWaalsContact CD1-SD 3.59Å
217L98.3Very high98.3Very high7 Ų749.7 Ų49.74%0.03727%0.274CS..SBendtrans-105.1130.8-177.9-45.3-177.8000110.2V208 A211 Y212 L221 L225 V252 I255V208-L217 HydrophobicContact CG1-CD1 4.27Å; A211-L217 HydrophobicContact CB-CD1 3.92Å; A211-L217 HydrophobicContact CB-CD2 4.19Å; A211-L217 HydrophobicContact CB-CG 3.84Å; A211-L217 PolarHBondContact O-N 3.43Å; Y212-L217 HydrophobicContact CD2-CB 4.11Å; Y212-L217 WeakPolarHBondContact CD2-O 3.45Å; L217-L221 HydrophobicContact CB-CD2 4.37Å; L217-L221 HydrophobicContact CD2-CD2 4.02Å; L217-L225 HydrophobicContact CD1-CD1 4.01Å; L217-V252 HydrophobicContact CD1-CG2 3.89Å; L217-V252 HydrophobicContact CD2-CG1 4.43Å; L217-V252 HydrophobicContact CD2-CG2 4.1Å; L217-I255 HydrophobicContact CD2-CD1 3.61Å; L217-I255 HydrophobicContact CD2-CG2 4.4Å
218G97.8Very high98.3Very high46 Ų4652.9 Ų52.947%0.47429%0.287SS..  trans-69.8157.1174.300000112.6Q220 L221 W222G218-Q220 PolarHBondContact O-N 2.92Å; G218-L221 PolarHBondContact O-N 3.34Å; G218-W222 PolarHBondContact O-N 2.89Å
219S98.1Very high98.3Very high94 Ų9453 Ų5366%0.65729%0.288SS*.Hα-helixtrans-58.8-31.7-179.155.50000113.8A223S219-A223 WeakPolarHBondContact O-CB 3.36Å; S219-A223 PolarHBondContact O-N 3.47Å
220Q98.4Very high98.2Very high140 Ų14052 Ų5265%0.65429%0.287SS*.Hα-helixtrans-65.8-53.1175.2-178.6177.6-7.300111.7G218 W222 A223 E224G218-Q220 PolarHBondContact O-N 2.92Å; Q220-W222 VanDerWaalsContact C-N 3.25Å; Q220-W222 PolarHBondContact O-N 3.2Å; Q220-A223 PolarHBondContact O-N 3.02Å; Q220-A223 VanDerWaalsContact O-N 3.14Å; Q220-E224 PolarHBondContact NE2-OE1 3.14Å; Q220-E224 WeakPolarHBondContact O-CG 3.39Å; Q220-E224 PolarHBondContact O-N 3.32Å
221L98.4Very high98.1Very high22 Ų2257 Ų5712%0.11532%0.322CS..Hα-helixtrans-59.4-40.4178176.957.5000110.8L217 G218 E224 L225 K248 D251 V252 I255L217-L221 HydrophobicContact CB-CD2 4.37Å; L217-L221 HydrophobicContact CD2-CD2 4.02Å; G218-L221 PolarHBondContact O-N 3.34Å; L221-E224 PolarHBondContact O-N 2.99Å; L221-L225 HydrophobicContact CD1-CD1 4.33Å; L221-L225 HydrophobicContact CD1-CG 4.31Å; L221-L225 HydrophobicContact CG-CD1 4.07Å; L221-L225 WeakPolarHBondContact O-CB 3.04Å; L221-L225 WeakPolarHBondContact O-CG 3.26Å; L221-L225 PolarHBondContact O-N 3.02Å; L221-K248 HydrophobicContact CD1-CB 4.05Å; L221-K248 HydrophobicContact CD1-CD 3.82Å; L221-K248 HydrophobicContact CD1-CG 4.41Å; L221-D251 HydrophobicContact CD1-CB 4.03Å; L221-D251 HydrophobicContact CD2-CB 4.16Å; L221-V252 HydrophobicContact CD2-CG2 4.3Å; L221-I255 HydrophobicContact CD2-CD1 3.91Å
222W98.5Very high97.7Very high29 Ų2961 Ų6111%0.1136%0.363CS..Hα-helixtrans-61.2-44.5174.8-179.2-115.7000113.3V208 Y209 Y212 G218 Q220 E224 L225 Q226 F237V208-W222 HydrophobicContact CG1-CZ3 4.27Å; Y209-W222 AromaticContact CD1-CH2 3.47Å; Y209-W222 HydrophobicContact CD1-CH2 3.47Å; Y209-W222 VanDerWaalsContact CD1-CH2 3.47Å; Y209-W222 HydrophobicContact CD1-CZ2 4.1Å; Y209-W222 HydrophobicContact CD1-CZ3 4.46Å; Y209-W222 AromaticContact CE1-CH2 3.54Å; Y209-W222 HydrophobicContact CE1-CH2 3.54Å; Y209-W222 AromaticContact CE1-CZ2 4Å; Y209-W222 HydrophobicContact CE1-CZ2 4Å; Y209-W222 HydrophobicContact CG-CH2 4.22Å; Y212-W222 AromaticContact CD1-CD1 3.91Å; Y212-W222 AromaticContact CD1-CD2 3.54Å; Y212-W222 HydrophobicContact CD1-CD2 3.54Å; Y212-W222 AromaticContact CD1-CE2 3.54Å; Y212-W222 HydrophobicContact CD1-CE3 4.05Å; Y212-W222 AromaticContact CD1-CG 3.77Å; Y212-W222 HydrophobicContact CD1-CG 3.77Å; Y212-W222 HydrophobicContact CD1-CH2 4.49Å; Y212-W222 HydrophobicContact CD1-CZ2 4.03Å; Y212-W222 AromaticContact CD1-NE1 3.76Å; Y212-W222 HydrophobicContact CD2-CB 3.48Å; Y212-W222 VanDerWaalsContact CD2-CB 3.48Å; Y212-W222 AromaticContact CD2-CD2 3.92Å; Y212-W222 HydrophobicContact CD2-CD2 3.92Å; Y212-W222 HydrophobicContact CD2-CE3 4.25Å; Y212-W222 AromaticContact CD2-CG 3.59Å; Y212-W222 HydrophobicContact CD2-CG 3.59Å; Y212-W222 HydrophobicContact CE1-CB 4.46Å; Y212-W222 AromaticContact CE1-CD1 3.4Å; Y212-W222 AromaticContact CE1-CD2 3.88Å; Y212-W222 HydrophobicContact CE1-CD2 3.88Å; Y212-W222 AromaticContact CE1-CE2 3.73Å; Y212-W222 AromaticContact CE1-CG 3.68Å; Y212-W222 HydrophobicContact CE1-CG 3.68Å; Y212-W222 HydrophobicContact CE1-CZ2 4.49Å; Y212-W222 AromaticContact CE1-NE1 3.41Å; Y212-W222 HydrophobicContact CE2-CB 3.36Å; Y212-W222 AromaticContact CE2-CD1 3.78Å; Y212-W222 HydrophobicContact CE2-CD2 4.24Å; Y212-W222 AromaticContact CE2-CG 3.49Å; Y212-W222 HydrophobicContact CE2-CG 3.49Å; Y212-W222 VanDerWaalsContact CE2-CG 3.49Å; Y212-W222 HydrophobicContact CG-CB 4.09Å; Y212-W222 AromaticContact CG-CD2 3.54Å; Y212-W222 HydrophobicContact CG-CD2 3.54Å; Y212-W222 AromaticContact CG-CE3 3.72Å; Y212-W222 HydrophobicContact CG-CE3 3.72Å; Y212-W222 AromaticContact CG-CG 3.72Å; Y212-W222 HydrophobicContact CG-CG 3.72Å; Y212-W222 HydrophobicContact CG-CZ3 4.36Å; Y212-W222 AromaticContact CZ-CD1 3.31Å; Y212-W222 AromaticContact CZ-CG 3.52Å; Y212-W222 AromaticContact CZ-NE1 3.86Å; G218-W222 PolarHBondContact O-N 2.89Å; Q220-W222 VanDerWaalsContact C-N 3.25Å; Q220-W222 PolarHBondContact O-N 3.2Å; W222-E224 VanDerWaalsContact C-N 3.31Å; W222-E224 PolarHBondContact O-N 2.95Å; W222-L225 HydrophobicContact CE3-CD1 4.31Å; W222-L225 PolarHBondContact O-N 3.18Å; W222-Q226 HydrophobicContact CD2-CG 4.19Å; W222-Q226 HydrophobicContact CZ2-CG 4.03Å; W222-Q226 WeakPolarHBondContact O-CB 3.26Å; W222-Q226 VanDerWaalsContact O-CG 3.32Å; W222-Q226 WeakPolarHBondContact O-CG 3.48Å; W222-Q226 PolarHBondContact O-N 3.13Å; W222-F237 HydrophobicContact CZ3-CZ 4.32Å
223A98.3Very high97.2Very high56 Ų5661.9 Ų61.946%0.46339%0.391SS..Hα-helixtrans-63.3-38.3177.200000112.1S219 Q220 Q226 M227S219-A223 WeakPolarHBondContact O-CB 3.36Å; S219-A223 PolarHBondContact O-N 3.47Å; Q220-A223 PolarHBondContact O-N 3.02Å; Q220-A223 VanDerWaalsContact O-N 3.14Å; A223-Q226 PolarHBondContact O-N 2.84Å; A223-M227 VanDerWaalsContact O-CB 3.3Å; A223-M227 WeakPolarHBondContact O-CB 3.39Å; A223-M227 PolarHBondContact O-N 3.07Å
224E98.4Very high97Very high40 Ų4062.3 Ų62.319%0.18740%0.396CS..Hα-helixtrans-67.8-43.2176-68.8170.8176.400111.7Q220 L221 W222 Q226 M227 Y228 K248Q220-E224 PolarHBondContact NE2-OE1 3.14Å; Q220-E224 WeakPolarHBondContact O-CG 3.39Å; Q220-E224 PolarHBondContact O-N 3.32Å; L221-E224 PolarHBondContact O-N 2.99Å; W222-E224 VanDerWaalsContact C-N 3.31Å; W222-E224 PolarHBondContact O-N 2.95Å; E224-Q226 VanDerWaalsContact C-N 3.35Å; E224-Q226 PolarHBondContact O-N 2.82Å; E224-M227 HydrophobicContact CG-CE 4.39Å; E224-M227 PolarHBondContact O-N 3.16Å; E224-Y228 HydrophobicContact CB-CD2 4.21Å; E224-Y228 HydrophobicContact CB-CE2 4.14Å; E224-Y228 HydrophobicContact CG-CE2 4.43Å; E224-Y228 WeakPolarHBondContact O-CB 3.17Å; E224-Y228 WeakPolarHBondContact O-CD2 3.42Å; E224-Y228 PolarHBondContact O-N 3.26Å; E224-K248 HydrophobicContact CB-CD 4.06Å; E224-K248 HydrophobicContact CB-CG 4.09Å; E224-K248 VanDerWaalsContact OE2-CD 3.24Å; E224-K248 WeakPolarHBondContact OE2-CD 3.42Å; E224-K248 WeakPolarHBondContact OE2-CE 3.31Å; E224-K248 IonicContact OE2-NZ 2.83Å; E224-K248 PolarHBondContact OE2-NZ 3.3Å
225L98.3Very high96.9Very high0 Ų060.3 Ų60.30%039%0.388CS..Hα-helixtrans-57.6-47.2171.6-75164.6000111V208 L217 L221 W222 M227 Y228 C229 F237 K248 L249 V252V208-L225 HydrophobicContact CG1-CD1 3.91Å; L217-L225 HydrophobicContact CD1-CD1 4.01Å; L221-L225 HydrophobicContact CD1-CD1 4.33Å; L221-L225 HydrophobicContact CD1-CG 4.31Å; L221-L225 HydrophobicContact CG-CD1 4.07Å; L221-L225 WeakPolarHBondContact O-CB 3.04Å; L221-L225 WeakPolarHBondContact O-CG 3.26Å; L221-L225 PolarHBondContact O-N 3.02Å; W222-L225 HydrophobicContact CE3-CD1 4.31Å; W222-L225 PolarHBondContact O-N 3.18Å; L225-M227 VanDerWaalsContact C-N 3.33Å; L225-M227 PolarHBondContact O-N 2.8Å; L225-Y228 PolarHBondContact O-N 3.08Å; L225-C229 WeakPolarHBondContact O-CA 3.22Å; L225-C229 WeakPolarHBondContact O-CB 3.13Å; L225-C229 PolarHBondContact O-N 3.11Å; L225-F237 HydrophobicContact CB-CE1 4.12Å; L225-F237 HydrophobicContact CD2-CD1 4.45Å; L225-F237 HydrophobicContact CD2-CE1 4.13Å; L225-K248 HydrophobicContact CD2-CB 3.7Å; L225-K248 HydrophobicContact CG-CB 4.12Å; L225-L249 HydrophobicContact CD2-CD2 4.03Å; L225-L249 HydrophobicContact CD2-CG 4.35Å; L225-V252 HydrophobicContact CD1-CG2 3.73Å; L225-V252 HydrophobicContact CD2-CG2 4.28Å
226Q97.9Very high96.8Very high64 Ų6459.6 Ų59.630%0.29937%0.369SS..Hα-helixtrans-61.5-40.7176.9-72.2-64.5-41.100112.5W222 A223 E224 C230 C235W222-Q226 HydrophobicContact CD2-CG 4.19Å; W222-Q226 HydrophobicContact CZ2-CG 4.03Å; W222-Q226 WeakPolarHBondContact O-CB 3.26Å; W222-Q226 VanDerWaalsContact O-CG 3.32Å; W222-Q226 WeakPolarHBondContact O-CG 3.48Å; W222-Q226 PolarHBondContact O-N 3.13Å; A223-Q226 PolarHBondContact O-N 2.84Å; E224-Q226 VanDerWaalsContact C-N 3.35Å; E224-Q226 PolarHBondContact O-N 2.82Å; Q226-C230 VanDerWaalsContact O-CB 3.28Å; Q226-C230 WeakPolarHBondContact O-CB 3.3Å; Q226-C230 PolarHBondContact O-N 3.3Å; Q226-C230 PolarHBondContact OE1-SG 3.3Å; Q226-C235 PolarHBondContact NE2-SG 3.09Å; Q226-C235 VanDerWaalsContact NE2-SG 3.39Å
227M97.9Very high96.8Very high116 Ų11658 Ų5857%0.57136%0.361SS*.Hα-helixtrans-69.8-39.2-179.7176.7173.648.400113A223 E224 L225A223-M227 VanDerWaalsContact O-CB 3.3Å; A223-M227 WeakPolarHBondContact O-CB 3.39Å; A223-M227 PolarHBondContact O-N 3.07Å; E224-M227 HydrophobicContact CG-CE 4.39Å; E224-M227 PolarHBondContact O-N 3.16Å; L225-M227 VanDerWaalsContact C-N 3.33Å; L225-M227 PolarHBondContact O-N 2.8Å
228Y98Very high96.6Very high68 Ų6858.3 Ų58.327%0.26736%0.362SS..Hα-helixtrans-99.6-29.7-171.8-61-49.7000114.1E224 L225 N242 N244 K248E224-Y228 HydrophobicContact CB-CD2 4.21Å; E224-Y228 HydrophobicContact CB-CE2 4.14Å; E224-Y228 HydrophobicContact CG-CE2 4.43Å; E224-Y228 WeakPolarHBondContact O-CB 3.17Å; E224-Y228 WeakPolarHBondContact O-CD2 3.42Å; E224-Y228 PolarHBondContact O-N 3.26Å; L225-Y228 PolarHBondContact O-N 3.08Å; Y228-N242 PolarHBondContact O-ND2 2.86Å; Y228-N244 HydrophobicContact CD1-CB 3.66Å; Y228-N244 HydrophobicContact CD2-CB 3.66Å; Y228-N244 HydrophobicContact CE1-CB 3.96Å; Y228-N244 VanDerWaalsContact CE1-ND2 3.35Å; Y228-N244 WeakPolarHBondContact CE1-ND2 3.21Å; Y228-N244 HydrophobicContact CE2-CB 3.95Å; Y228-N244 HydrophobicContact CG-CB 3.51Å; Y228-K248 HydrophobicContact CD2-CG 4.24Å
229C97.9Very high96.4Very high3 Ų359.3 Ų59.32%0.0236%0.357CS..Hα-helixtrans-101.5-11.5-174.6-54.60000113.9L225 D236 F237 N240 C245L225-C229 WeakPolarHBondContact O-CA 3.22Å; L225-C229 WeakPolarHBondContact O-CB 3.13Å; L225-C229 PolarHBondContact O-N 3.11Å; C229-D236 PolarHBondContact O-N 2.96Å; C229-F237 HydrophobicContact CB-CD1 3.62Å; C229-F237 HydrophobicContact CB-CE1 3.45Å; C229-F237 VanDerWaalsContact CB-CE1 3.45Å; C229-N240 WeakPolarHBondContact CA-ND2 3.29Å; C229-N240 PolarHBondContact O-ND2 3.06Å; C229-N240 VanDerWaalsContact O-ND2 3.12Å; C229-C245 VanDerWaalsContact CA-SG 3.53Å; C229-C245 HydrophobicContact CB-CB 4.03Å; C229-C245 WeakPolarHBondContact CB-SG 3.44Å; C229-C245 WeakPolarHBondContact SG-CA 3.32Å; C229-C245 WeakPolarHBondContact SG-CB 3.4Å; C229-C245 CovalentContact SG-SG 2.03Å; C229-C245 PolarHBondContact SG-SG 3.21Å
230C97.6Very high96.2Very high24 Ų2456.6 Ų56.616%0.16234%0.335CS..EExtended strand (participates in β ladder)trans-120.4143.3-171.6-42.50000112.9Q226 K234 C235Q226-C230 VanDerWaalsContact O-CB 3.28Å; Q226-C230 WeakPolarHBondContact O-CB 3.3Å; Q226-C230 PolarHBondContact O-N 3.3Å; Q226-C230 PolarHBondContact OE1-SG 3.3Å; C230-K234 CarbonylContact C-O 3.56Å; C230-K234 WeakPolarHBondContact CA-O 3.12Å; C230-K234 WeakPolarHBondContact CB-O 3.33Å; C230-C235 HydrophobicContact CB-CB 3.97Å; C230-C235 WeakPolarHBondContact CB-SG 3.47Å; C230-C235 VanDerWaalsContact SG-CA 3.57Å; C230-C235 WeakPolarHBondContact SG-CB 3.46Å; C230-C235 CovalentContact SG-SG 2.02Å; C230-C235 PolarHBondContact SG-SG 2.97Å
231S95.3Very high95.8Very high106 Ų10657.3 Ų57.374%0.74134%0.338SS*.EExtended strand (participates in β ladder)trans-147.7135.8176.2-1770000110.2G233 K234S231-G233 VanDerWaalsContact C-N 3.27Å; S231-G233 PolarHBondContact O-N 2.88Å; S231-K234 PolarHBondContact N-O 2.91Å; S231-K234 PolarHBondContact O-N 2.88Å; S231-K234 VanDerWaalsContact O-N 3.13Å
232G90.3Very high95.7Very high83 Ų8358.7 Ų58.786%0.85635%0.346SS*.THydrogen-bonded Turntrans60.631.5178.200000114.5K234G232-K234 VanDerWaalsContact C-N 3.28Å; G232-K234 PolarHBondContact O-N 2.92Å
233G88.8Confident95.5Very high80 Ų8061.9 Ų61.983%0.82537%0.37SS*.THydrogen-bonded Turntrans76.79.4-178.700000114.8S231S231-G233 VanDerWaalsContact C-N 3.27Å; S231-G233 PolarHBondContact O-N 2.88Å
234K93.4Very high95.4Very high169 Ų16962.4 Ų62.474%0.73537%0.365SS*.EExtended strand (participates in β ladder)trans-117.2138173.1-65.1-176.2178.3-175.30109.6C230 S231 G232C230-K234 CarbonylContact C-O 3.56Å; C230-K234 WeakPolarHBondContact CA-O 3.12Å; C230-K234 WeakPolarHBondContact CB-O 3.33Å; S231-K234 PolarHBondContact N-O 2.91Å; S231-K234 PolarHBondContact O-N 2.88Å; S231-K234 VanDerWaalsContact O-N 3.13Å; G232-K234 VanDerWaalsContact C-N 3.28Å; G232-K234 PolarHBondContact O-N 2.92Å
235C97.1Very high95.3Very high17 Ų1760.5 Ų60.512%0.11536%0.356CS..EExtended strand (participates in β ladder)trans-106.6138.9174-620000109.5Y209 Q226 C230 F237Y209-C235 HydrophobicContact CE2-CB 4.37Å; Y209-C235 PolarHBondContact OH-SG 2.83Å; Q226-C235 PolarHBondContact NE2-SG 3.09Å; Q226-C235 VanDerWaalsContact NE2-SG 3.39Å; C230-C235 HydrophobicContact CB-CB 3.97Å; C230-C235 WeakPolarHBondContact CB-SG 3.47Å; C230-C235 VanDerWaalsContact SG-CA 3.57Å; C230-C235 WeakPolarHBondContact SG-CB 3.46Å; C230-C235 CovalentContact SG-SG 2.02Å; C230-C235 PolarHBondContact SG-SG 2.97Å; C235-F237 HydrophobicContact CB-CD2 4Å; C235-F237 HydrophobicContact CB-CE1 4.12Å; C235-F237 HydrophobicContact CB-CE2 3.47Å; C235-F237 VanDerWaalsContact CB-CE2 3.47Å; C235-F237 HydrophobicContact CB-CZ 3.53Å
236D97Very high95.2Very high52 Ų5261.5 Ų61.528%0.27836%0.362SS..  trans-113.7106.4166.9177.28.9000107.2C229 H238 N239 N240C229-D236 PolarHBondContact O-N 2.96Å; D236-H238 PolarHBondContact OD1-N 2.87Å; D236-N239 PolarHBondContact OD1-N 3Å; D236-N239 VanDerWaalsContact OD2-C 3.31Å; D236-N240 HydrophobicContact CB-CB 4.39Å; D236-N240 VanDerWaalsContact O-CB 3.31Å; D236-N240 WeakPolarHBondContact O-CB 3.36Å; D236-N240 PolarHBondContact O-ND2 3.41Å; D236-N240 WeakPolarHBondContact OD2-CA 3.49Å; D236-N240 PolarHBondContact OD2-N 3.13Å
237F97.1Very high95.1Very high1 Ų163.6 Ų63.60%0.00437%0.372CS..SBendtrans-105.63.4174-57.7-54.4000112.1N205 V208 Y209 W222 L225 C229 C235 L249N205-F237 WeakPolarHBondContact OD1-CA 2.97Å; N205-F237 WeakPolarHBondContact OD1-CB 3.41Å; N205-F237 PolarHBondContact OD1-N 3.39Å; V208-F237 HydrophobicContact CB-CB 4.42Å; V208-F237 HydrophobicContact CB-CD1 4.44Å; V208-F237 HydrophobicContact CB-CD2 3.56Å; V208-F237 HydrophobicContact CB-CE2 3.78Å; V208-F237 HydrophobicContact CB-CG 3.91Å; V208-F237 HydrophobicContact CB-CZ 4.32Å; V208-F237 HydrophobicContact CG1-CD1 4.18Å; V208-F237 HydrophobicContact CG1-CD2 3.97Å; V208-F237 HydrophobicContact CG1-CE1 4.01Å; V208-F237 HydrophobicContact CG1-CE2 3.8Å; V208-F237 HydrophobicContact CG1-CG 4.15Å; V208-F237 HydrophobicContact CG1-CZ 3.82Å; V208-F237 HydrophobicContact CG2-CB 3.75Å; V208-F237 HydrophobicContact CG2-CD1 4.33Å; V208-F237 HydrophobicContact CG2-CD2 3.87Å; V208-F237 HydrophobicContact CG2-CG 3.74Å; Y209-F237 HydrophobicContact CD2-CE2 4.05Å; Y209-F237 HydrophobicContact CE2-CD2 4.39Å; Y209-F237 AromaticContact CE2-CE2 3.72Å; Y209-F237 HydrophobicContact CE2-CE2 3.72Å; W222-F237 HydrophobicContact CZ3-CZ 4.32Å; L225-F237 HydrophobicContact CB-CE1 4.12Å; L225-F237 HydrophobicContact CD2-CD1 4.45Å; L225-F237 HydrophobicContact CD2-CE1 4.13Å; C229-F237 HydrophobicContact CB-CD1 3.62Å; C229-F237 HydrophobicContact CB-CE1 3.45Å; C229-F237 VanDerWaalsContact CB-CE1 3.45Å; C235-F237 HydrophobicContact CB-CD2 4Å; C235-F237 HydrophobicContact CB-CE1 4.12Å; C235-F237 HydrophobicContact CB-CE2 3.47Å; C235-F237 VanDerWaalsContact CB-CE2 3.47Å; C235-F237 HydrophobicContact CB-CZ 3.53Å; F237-L249 HydrophobicContact CB-CD2 3.94Å; F237-L249 HydrophobicContact CD1-CD2 3.88Å; F237-L249 HydrophobicContact CG-CD2 4.25Å; F237-L249 WeakPolarHBondContact O-CD1 3.4Å
238H95.1Very high95Very high14 Ų1459.5 Ų59.57%0.06535%0.351CS..SBendtrans-102.2-47.8-174.8178.864.6000111.9E201 D204 D236 N296E201-H238 HydrophobicContact CB-CB 4.41Å; E201-H238 HydrophobicContact CG-CB 4.14Å; D204-H238 HydrophobicContact CB-CB 4.16Å; D204-H238 IonicContact OD2-CE1 2.82Å; D204-H238 IonicContact OD2-CG 2.69Å; D204-H238 IonicContact OD2-ND1 3.62Å; D204-H238 PolarHBondContact OD2-ND1 3.17Å; D236-H238 PolarHBondContact OD1-N 2.87Å; H238-N296 PolarHBondContact CE1-ND2 2.92Å; H238-N296 VanDerWaalsContact CE1-ND2 3.32Å; H238-N296 PolarHBondContact NE2-ND2 3.13Å
239N92.9Very high95Very high68 Ų6856.6 Ų56.636%0.36434%0.34SS..SBendtrans-133.520.4-170.5-79.4-27.5000114.3D236 Q241 N296D236-N239 PolarHBondContact OD1-N 3Å; D236-N239 VanDerWaalsContact OD2-C 3.31Å; N239-Q241 PolarHBondContact O-N 3.26Å; N239-Q241 PolarHBondContact O-NE2 3.47Å; N239-N296 WeakPolarHBondContact OD1-CB 3.14Å; N239-N296 VanDerWaalsContact OD1-CG 3.22Å; N239-N296 PolarHBondContact OD1-ND2 2.64Å
240N93.3Very high94.8Very high37 Ų3756.9 Ų56.920%0.19834%0.342CS..  trans-64.3133.4-177.3-154.7-53.5000112.1C229 D236 N242 C245C229-N240 WeakPolarHBondContact CA-ND2 3.29Å; C229-N240 PolarHBondContact O-ND2 3.06Å; C229-N240 VanDerWaalsContact O-ND2 3.12Å; D236-N240 HydrophobicContact CB-CB 4.39Å; D236-N240 VanDerWaalsContact O-CB 3.31Å; D236-N240 WeakPolarHBondContact O-CB 3.36Å; D236-N240 PolarHBondContact O-ND2 3.41Å; D236-N240 WeakPolarHBondContact OD2-CA 3.49Å; D236-N240 PolarHBondContact OD2-N 3.13Å; N240-N242 VanDerWaalsContact OD1-CB 3.22Å; N240-N242 WeakPolarHBondContact OD1-CB 3.45Å; N240-N242 PolarHBondContact OD1-N 3.31Å; N240-C245 HydrophobicContact CB-CB 4.26Å
241Q91.4Very high94.7Very high154 Ų15458.9 Ų58.972%0.7235%0.351SS*.  trans-93.3-4.1-178.6-57.2-58-52.400113.2N239 P243N239-Q241 PolarHBondContact O-N 3.26Å; N239-Q241 PolarHBondContact O-NE2 3.47Å; Q241-P243 WeakPolarHBondContact O-CD 3.44Å
242N94.8Very high94.7Very high52 Ų5253.9 Ų53.928%0.27832%0.316SS..  trans-70.3118.6178-176.8-14.7000110.2Y228 N240 N244 C245 T246Y228-N242 PolarHBondContact O-ND2 2.86Å; N240-N242 VanDerWaalsContact OD1-CB 3.22Å; N240-N242 WeakPolarHBondContact OD1-CB 3.45Å; N240-N242 PolarHBondContact OD1-N 3.31Å; N242-N244 PolarHBondContact O-N 3.27Å; N242-N244 PolarHBondContact OD1-N 3.44Å; N242-C245 HydrophobicContact CB-CB 3.91Å; N242-C245 WeakPolarHBondContact O-CA 3.47Å; N242-C245 WeakPolarHBondContact O-CB 3.03Å; N242-C245 PolarHBondContact O-N 3.48Å; N242-T246 PolarHBondContact O-N 3.12Å; N242-T246 PolarHBondContact O-OG1 2.95Å
243P94.9Very high94.8Very high96 Ų9650.2 Ų50.262%0.62328%0.277SS*.Hα-helixtrans-57-35.5-179.2-25.535.1000113.8Q241 C245 T246 E247Q241-P243 WeakPolarHBondContact O-CD 3.44Å; P243-C245 VanDerWaalsContact C-N 3.33Å; P243-T246 WeakPolarHBondContact O-CB 3.32Å; P243-T246 PolarHBondContact O-N 3.4Å; P243-E247 PolarHBondContact O-N 3.46Å
244N96.8Very high94.9Very high66 Ų6650.1 Ų50.135%0.35326%0.26SS..Hα-helixtrans-70-33.3177.4-62.6-12000111.1Y228 N242 K248Y228-N244 HydrophobicContact CD1-CB 3.66Å; Y228-N244 HydrophobicContact CD2-CB 3.66Å; Y228-N244 HydrophobicContact CE1-CB 3.96Å; Y228-N244 VanDerWaalsContact CE1-ND2 3.35Å; Y228-N244 WeakPolarHBondContact CE1-ND2 3.21Å; Y228-N244 HydrophobicContact CE2-CB 3.95Å; Y228-N244 HydrophobicContact CG-CB 3.51Å; N242-N244 PolarHBondContact O-N 3.27Å; N242-N244 PolarHBondContact OD1-N 3.44Å; N244-K248 VanDerWaalsContact O-CG 3.27Å; N244-K248 WeakPolarHBondContact O-CG 3.35Å; N244-K248 PolarHBondContact O-N 3.2Å; N244-K248 VanDerWaalsContact O-N 3.15Å
245C96.5Very high94.9Very high0 Ų044.3 Ų44.30%024%0.237CC..Hα-helixtrans-66.4-45.3172.2179.10000110.5C229 N240 N242 P243 E247 K248 L249C229-C245 VanDerWaalsContact CA-SG 3.53Å; C229-C245 HydrophobicContact CB-CB 4.03Å; C229-C245 WeakPolarHBondContact CB-SG 3.44Å; C229-C245 WeakPolarHBondContact SG-CA 3.32Å; C229-C245 WeakPolarHBondContact SG-CB 3.4Å; C229-C245 CovalentContact SG-SG 2.03Å; C229-C245 PolarHBondContact SG-SG 3.21Å; N240-C245 HydrophobicContact CB-CB 4.26Å; N242-C245 HydrophobicContact CB-CB 3.91Å; N242-C245 WeakPolarHBondContact O-CA 3.47Å; N242-C245 WeakPolarHBondContact O-CB 3.03Å; N242-C245 PolarHBondContact O-N 3.48Å; P243-C245 VanDerWaalsContact C-N 3.33Å; C245-E247 VanDerWaalsContact C-N 3.31Å; C245-E247 PolarHBondContact O-N 3.32Å; C245-K248 PolarHBondContact O-N 2.03Å; C245-K248 VanDerWaalsContact O-N 3.16Å; C245-L249 WeakPolarHBondContact O-CG 3.45Å; C245-L249 PolarHBondContact O-N 2.93Å
246T94.6Very high94.5Very high22 Ų2243.7 Ų43.714%0.13523%0.232CC..Hα-helixtrans-54.7-47.8176.7-570000111.4N242 P243 K248 L249 S250 H297 Q298N242-T246 PolarHBondContact O-N 3.12Å; N242-T246 PolarHBondContact O-OG1 2.95Å; P243-T246 WeakPolarHBondContact O-CB 3.32Å; P243-T246 PolarHBondContact O-N 3.4Å; T246-K248 PolarHBondContact O-N 3.06Å; T246-L249 PolarHBondContact O-N 2.82Å; T246-S250 PolarHBondContact O-N 3.13Å; T246-S250 PolarHBondContact O-OG 2.73Å; T246-H297 WeakPolarHBondContact CG2-NE2 3.33Å; T246-H297 PolarHBondContact O-NE2 2.79Å; T246-Q298 HydrophobicContact CG2-CB 4.34Å
247E95.7Very high93.9Very high108 Ų10842.1 Ų42.151%0.50522%0.223SC..Hα-helixtrans-58.4-47.2176.9-175.6-175.7179.600111.7P243 C245 L249 S250 D251P243-E247 PolarHBondContact O-N 3.46Å; C245-E247 VanDerWaalsContact C-N 3.31Å; C245-E247 PolarHBondContact O-N 3.32Å; E247-L249 VanDerWaalsContact C-N 3.34Å; E247-L249 PolarHBondContact O-N 3.36Å; E247-S250 WeakPolarHBondContact O-CA 3.48Å; E247-S250 VanDerWaalsContact O-CB 3.23Å; E247-S250 WeakPolarHBondContact O-CB 3.45Å; E247-S250 PolarHBondContact O-N 3.15Å; E247-D251 PolarHBondContact O-N 2.74Å
248K97.5Very high93.1Very high30 Ų3044.4 Ų44.413%0.1324%0.239CC..Hα-helixtrans-69.6-30.2179.4-60-59160.8-179.30113.4L221 E224 L225 Y228 N244 C245 T246 S250 D251 V252L221-K248 HydrophobicContact CD1-CB 4.05Å; L221-K248 HydrophobicContact CD1-CD 3.82Å; L221-K248 HydrophobicContact CD1-CG 4.41Å; E224-K248 HydrophobicContact CB-CD 4.06Å; E224-K248 HydrophobicContact CB-CG 4.09Å; E224-K248 VanDerWaalsContact OE2-CD 3.24Å; E224-K248 WeakPolarHBondContact OE2-CD 3.42Å; E224-K248 WeakPolarHBondContact OE2-CE 3.31Å; E224-K248 IonicContact OE2-NZ 2.83Å; E224-K248 PolarHBondContact OE2-NZ 3.3Å; L225-K248 HydrophobicContact CD2-CB 3.7Å; L225-K248 HydrophobicContact CG-CB 4.12Å; Y228-K248 HydrophobicContact CD2-CG 4.24Å; N244-K248 VanDerWaalsContact O-CG 3.27Å; N244-K248 WeakPolarHBondContact O-CG 3.35Å; N244-K248 PolarHBondContact O-N 3.2Å; N244-K248 VanDerWaalsContact O-N 3.15Å; C245-K248 PolarHBondContact O-N 2.03Å; C245-K248 VanDerWaalsContact O-N 3.16Å; T246-K248 PolarHBondContact O-N 3.06Å; K248-S250 VanDerWaalsContact C-N 3.29Å; K248-D251 IonicContact NZ-OD2 3.83Å; K248-D251 WeakPolarHBondContact O-CB 3.41Å; K248-D251 PolarHBondContact O-N 2.93Å; K248-V252 WeakPolarHBondContact O-CG2 2.91Å; K248-V252 PolarHBondContact O-N 2.96Å; K248-V252 VanDerWaalsContact O-N 3.15Å
249L96.6Very high92.6Very high6 Ų646.5 Ų46.53%0.03126%0.255CS..Hα-helixtrans-68.9-29.1170.1-71.7173.6000112.1V208 L225 F237 C245 T246 E247 D251 V252 Q253 F294V208-L249 HydrophobicContact CG2-CD2 3.96Å; L225-L249 HydrophobicContact CD2-CD2 4.03Å; L225-L249 HydrophobicContact CD2-CG 4.35Å; F237-L249 HydrophobicContact CB-CD2 3.94Å; F237-L249 HydrophobicContact CD1-CD2 3.88Å; F237-L249 HydrophobicContact CG-CD2 4.25Å; F237-L249 WeakPolarHBondContact O-CD1 3.4Å; C245-L249 WeakPolarHBondContact O-CG 3.45Å; C245-L249 PolarHBondContact O-N 2.93Å; T246-L249 PolarHBondContact O-N 2.82Å; E247-L249 VanDerWaalsContact C-N 3.34Å; E247-L249 PolarHBondContact O-N 3.36Å; L249-D251 VanDerWaalsContact C-N 3.35Å; L249-V252 PolarHBondContact O-N 3.16Å; L249-Q253 WeakPolarHBondContact O-CB 3.44Å; L249-Q253 WeakPolarHBondContact O-CG 3.22Å; L249-Q253 PolarHBondContact O-N 3.06Å; L249-F294 HydrophobicContact CD2-CE1 4.32Å
250S94.2Very high92.3Very high10 Ų1044.2 Ų44.27%0.0725%0.247CC..Hα-helixtrans-65.6-37.9171.3-51.50000111.8T246 E247 K248 Q253 T254 H297 E299T246-S250 PolarHBondContact O-N 3.13Å; T246-S250 PolarHBondContact O-OG 2.73Å; E247-S250 WeakPolarHBondContact O-CA 3.48Å; E247-S250 VanDerWaalsContact O-CB 3.23Å; E247-S250 WeakPolarHBondContact O-CB 3.45Å; E247-S250 PolarHBondContact O-N 3.15Å; K248-S250 VanDerWaalsContact C-N 3.29Å; S250-Q253 PolarHBondContact O-N 2.92Å; S250-T254 PolarHBondContact O-N 2.95Å; S250-T254 PolarHBondContact O-OG1 2.69Å; S250-H297 PolarHBondContact OG-CE1 3.32Å; S250-H297 PolarHBondContact OG-NE2 3.31Å; S250-E299 WeakPolarHBondContact CB-OE1 3.17Å; S250-E299 WeakPolarHBondContact CB-OE2 3.25Å; S250-E299 PolarHBondContact OG-OE1 3.13Å; S250-E299 PolarHBondContact OG-OE2 3.32Å
251D95.6Very high92.3Very high66 Ų6644.5 Ų44.535%0.35325%0.249SC..Hα-helixtrans-62-46.6172.9-67.8-27.1000111L221 E247 K248 L249 Q253 T254 I255L221-D251 HydrophobicContact CD1-CB 4.03Å; L221-D251 HydrophobicContact CD2-CB 4.16Å; E247-D251 PolarHBondContact O-N 2.74Å; K248-D251 IonicContact NZ-OD2 3.83Å; K248-D251 WeakPolarHBondContact O-CB 3.41Å; K248-D251 PolarHBondContact O-N 2.93Å; L249-D251 VanDerWaalsContact C-N 3.35Å; D251-Q253 PolarHBondContact O-N 3.44Å; D251-T254 WeakPolarHBondContact O-CB 3.37Å; D251-T254 PolarHBondContact O-N 3.04Å; D251-I255 WeakPolarHBondContact O-CG1 3.46Å; D251-I255 PolarHBondContact O-N 2.8Å
252V96.1Very high92.4Very high0 Ų037.9 Ų37.90%022%0.218CC..Hα-helixtrans-58.4-48.8175.4174.60000110.9V208 L217 L221 L225 K248 L249 T254 I255 L256V208-V252 HydrophobicContact CG2-CG1 4.39Å; L217-V252 HydrophobicContact CD1-CG2 3.89Å; L217-V252 HydrophobicContact CD2-CG1 4.43Å; L217-V252 HydrophobicContact CD2-CG2 4.1Å; L221-V252 HydrophobicContact CD2-CG2 4.3Å; L225-V252 HydrophobicContact CD1-CG2 3.73Å; L225-V252 HydrophobicContact CD2-CG2 4.28Å; K248-V252 WeakPolarHBondContact O-CG2 2.91Å; K248-V252 PolarHBondContact O-N 2.96Å; K248-V252 VanDerWaalsContact O-N 3.15Å; L249-V252 PolarHBondContact O-N 3.16Å; V252-T254 VanDerWaalsContact C-N 3.26Å; V252-T254 PolarHBondContact O-N 3.01Å; V252-I255 WeakPolarHBondContact O-CB 3.2Å; V252-I255 PolarHBondContact O-N 3.11Å; V252-I255 VanDerWaalsContact O-N 3.13Å; V252-L256 HydrophobicContact CG1-CD1 3.84Å; V252-L256 HydrophobicContact CG1-CG 4.29Å; V252-L256 WeakPolarHBondContact O-CG 3.48Å; V252-L256 PolarHBondContact O-N 2.74Å
253Q91.9Very high92.4Very high6 Ų635.8 Ų35.83%0.02821%0.207CC..Hα-helixtrans-59.4-35.6177.3-85.7-166.867.600113.1L249 S250 D251 Y257 R277 F294 H297 T300L249-Q253 WeakPolarHBondContact O-CB 3.44Å; L249-Q253 WeakPolarHBondContact O-CG 3.22Å; L249-Q253 PolarHBondContact O-N 3.06Å; S250-Q253 PolarHBondContact O-N 2.92Å; D251-Q253 PolarHBondContact O-N 3.44Å; Q253-Y257 WeakPolarHBondContact O-CB 3.32Å; Q253-Y257 WeakPolarHBondContact O-CD2 3.32Å; Q253-Y257 PolarHBondContact O-N 2.86Å; Q253-Y257 VanDerWaalsContact O-N 3.08Å; Q253-R277 PolarHBondContact O-NH2 3.42Å; Q253-F294 HydrophobicContact CG-CB 4.49Å; Q253-F294 HydrophobicContact CG-CD2 3.49Å; Q253-F294 VanDerWaalsContact CG-CD2 3.49Å; Q253-F294 HydrophobicContact CG-CE2 3.95Å; Q253-F294 HydrophobicContact CG-CG 4.12Å; Q253-H297 PolarHBondContact NE2-CE1 3.31Å; Q253-H297 PolarHBondContact NE2-ND1 2.85Å; Q253-T300 PolarHBondContact OE1-OG1 3.19Å
254T91Very high92.5Very high79 Ų7932.3 Ų32.349%0.48518%0.182SC..Hα-helixtrans-66.8-42.6175.5-62.10000110.9S250 D251 V252 S258S250-T254 PolarHBondContact O-N 2.95Å; S250-T254 PolarHBondContact O-OG1 2.69Å; D251-T254 WeakPolarHBondContact O-CB 3.37Å; D251-T254 PolarHBondContact O-N 3.04Å; V252-T254 VanDerWaalsContact C-N 3.26Å; V252-T254 PolarHBondContact O-N 3.01Å; T254-S258 WeakPolarHBondContact O-CA 3.09Å; T254-S258 VanDerWaalsContact O-CB 3.28Å; T254-S258 WeakPolarHBondContact O-CB 3.41Å; T254-S258 PolarHBondContact O-N 3.17Å
255I92.9Very high92.6Very high47 Ų4730 Ų3024%0.24117%0.17CC..Hα-helixtrans-62.3-44.7175.9-66.7164.6000110.7L216 L217 L221 D251 V252 S259 L261L216-I255 HydrophobicContact CB-CG2 4.15Å; L217-I255 HydrophobicContact CD2-CD1 3.61Å; L217-I255 HydrophobicContact CD2-CG2 4.4Å; L221-I255 HydrophobicContact CD2-CD1 3.91Å; D251-I255 WeakPolarHBondContact O-CG1 3.46Å; D251-I255 PolarHBondContact O-N 2.8Å; V252-I255 WeakPolarHBondContact O-CB 3.2Å; V252-I255 PolarHBondContact O-N 3.11Å; V252-I255 VanDerWaalsContact O-N 3.13Å; I255-S259 WeakPolarHBondContact O-CB 3.47Å; I255-S259 PolarHBondContact O-OG 3.43Å; I255-L261 HydrophobicContact CG2-CD1 4.4Å
256L89.8Confident92.7Very high3 Ų330.8 Ų30.82%0.01617%0.174CC..Hα-helixtrans-70.3-36.9-176-66.9174.7000113.3L207 A211 L216 V252 F294 M393L207-L256 HydrophobicContact CD1-CD1 4.24Å; L207-L256 HydrophobicContact CD1-CD2 4.44Å; L207-L256 HydrophobicContact CD2-CD1 3.83Å; L207-L256 HydrophobicContact CG-CD1 3.94Å; A211-L256 HydrophobicContact CB-CD2 4.3Å; L216-L256 HydrophobicContact CD1-CD2 4.09Å; V252-L256 HydrophobicContact CG1-CD1 3.84Å; V252-L256 HydrophobicContact CG1-CG 4.29Å; V252-L256 WeakPolarHBondContact O-CG 3.48Å; V252-L256 PolarHBondContact O-N 2.74Å; L256-F294 HydrophobicContact CD1-CE2 4.06Å; L256-M393 HydrophobicContact CD2-CE 4.47Å; L256-M393 HydrophobicContact CD2-SD 3.96Å
257Y82.9Confident92.8Very high19 Ų1937.2 Ų37.28%0.07520%0.196CC..Hα-helixtrans-106.7-22-170.2-75.1-82.2000115.6Q253 I263 R277 I293Q253-Y257 WeakPolarHBondContact O-CB 3.32Å; Q253-Y257 WeakPolarHBondContact O-CD2 3.32Å; Q253-Y257 PolarHBondContact O-N 2.86Å; Q253-Y257 VanDerWaalsContact O-N 3.08Å; Y257-I263 HydrophobicContact CE1-CD1 4.21Å; Y257-R277 HydrophobicContact CD1-CG 4.3Å; Y257-R277 HydrophobicContact CG-CG 4.34Å; Y257-R277 VanDerWaalsContact CG-NE 3.32Å; Y257-I293 WeakPolarHBondContact OH-CB 3.33Å
258S81.6Confident92.9Very high50 Ų5033.7 Ų33.735%0.3519%0.185SC..Hα-helixtrans-120.47.3-168-53.90000113.5T254T254-S258 WeakPolarHBondContact O-CA 3.09Å; T254-S258 VanDerWaalsContact O-CB 3.28Å; T254-S258 WeakPolarHBondContact O-CB 3.41Å; T254-S258 PolarHBondContact O-N 3.17Å
259S84.5Confident92.7Very high57 Ų5737.7 Ų37.740%0.39922%0.215SC..SBendtrans-100.5-9-176.367.20000114.5I255 L261I255-S259 WeakPolarHBondContact O-CB 3.47Å; I255-S259 PolarHBondContact O-OG 3.43Å; S259-L261 WeakPolarHBondContact OG-CD1 3.13Å; S259-L261 VanDerWaalsContact OG-CG 3.26Å; S259-L261 WeakPolarHBondContact OG-CG 3.36Å; S259-L261 PolarHBondContact OG-N 3.47Å
260G85.7Confident92.5Very high20 Ų2038.2 Ų38.221%0.20622%0.219CC..SBendtrans91.53-173.700000115C270G260-C270 VanDerWaalsContact O-CB 3.24Å; G260-C270 WeakPolarHBondContact O-CB 3.39Å
261L92.9Very high92.1Very high44 Ų4440 Ų4023%0.2323%0.233CC..  trans-65.4141.1171.9-67.6172.7000110.9L216 I255 S259 I263 L266 C323 M393L216-L261 HydrophobicContact CD1-CD1 3.85Å; L216-L261 HydrophobicContact CD2-CD1 3.77Å; L216-L261 HydrophobicContact CD2-CD2 4.39Å; L216-L261 HydrophobicContact CG-CD1 4.36Å; I255-L261 HydrophobicContact CG2-CD1 4.4Å; S259-L261 WeakPolarHBondContact OG-CD1 3.13Å; S259-L261 VanDerWaalsContact OG-CG 3.26Å; S259-L261 WeakPolarHBondContact OG-CG 3.36Å; S259-L261 PolarHBondContact OG-N 3.47Å; L261-I263 PolarHBondContact O-N 2.92Å; L261-L266 HydrophobicContact CD2-CD1 3.95Å; L261-C323 PolarHBondContact O-SG 3.11Å; L261-M393 HydrophobicContact CB-CE 4.21Å
262N94.8Very high91.3Very high14 Ų1441.1 Ų41.18%0.07526%0.261CS..  trans-84108.5170.3-175.9-18.7000109.4Y264 N265 L266 P269 C270 C323N262-Y264 PolarHBondContact O-N 2.83Å; N262-Y264 WeakPolarHBondContact OD1-CB 3.06Å; N262-Y264 PolarHBondContact OD1-N 3.19Å; N262-N265 WeakPolarHBondContact CB-O 3.47Å; N262-N265 CarbonylContact O-C 3.59Å; N262-N265 PolarHBondContact O-N 3.1Å; N262-N265 PolarHBondContact OD1-N 3.27Å; N262-L266 PolarHBondContact O-N 3.11Å; N262-P269 PolarHBondContact ND2-O 3.24Å; N262-C270 HydrophobicContact CB-CB 4.31Å; N262-C323 VanDerWaalsContact CA-SG 3.59Å; N262-C323 HydrophobicContact CB-CB 3.95Å; N262-C323 VanDerWaalsContact CG-CB 3.48Å
263I95.1Very high90.5Very high8 Ų843 Ų434%0.04128%0.281CS..THydrogen-bonded Turntrans-65-25.5-178.2-159.7169.8000112.8Y257 L261 I293 P322 M393 A394Y257-I263 HydrophobicContact CE1-CD1 4.21Å; L261-I263 PolarHBondContact O-N 2.92Å; I263-I293 HydrophobicContact CD1-CD1 3.47Å; I263-I293 VanDerWaalsContact CD1-CD1 3.47Å; I263-P322 HydrophobicContact CG2-CB 4.27Å; I263-P322 HydrophobicContact CG2-CG 3.9Å; I263-M393 HydrophobicContact CG1-CB 3.83Å; I263-M393 WeakPolarHBondContact O-CA 3.24Å; I263-M393 WeakPolarHBondContact O-CB 3.4Å; I263-M393 PolarHBondContact O-N 2.04Å; I263-A394 HydrophobicContact CG1-CB 4.33Å; I263-A394 PolarHBondContact O-N 3.25Å
264Y96.9Very high89.5Confident23 Ų2347.3 Ų47.39%0.0931%0.307CS..THydrogen-bonded Turntrans-85.7-20.6179.2-62.2-48.1000112.7N262 P321 P322 T324 A394 G447 H448N262-Y264 PolarHBondContact O-N 2.83Å; N262-Y264 WeakPolarHBondContact OD1-CB 3.06Å; N262-Y264 PolarHBondContact OD1-N 3.19Å; Y264-P321 HydrophobicContact CE2-CB 4Å; Y264-P322 WeakPolarHBondContact CD2-O 3.27Å; Y264-P322 HydrophobicContact CE2-CG 3.95Å; Y264-P322 WeakPolarHBondContact CE2-O 3.49Å; Y264-T324 HydrophobicContact CD2-CG2 3.94Å; Y264-T324 HydrophobicContact CE2-CG2 3.94Å; Y264-A394 HydrophobicContact CD1-CB 3.68Å; Y264-A394 HydrophobicContact CE1-CB 3.67Å; Y264-G447 CarbonylContact O-C 3.6Å; Y264-G447 WeakPolarHBondContact O-CA 3.31Å; Y264-H448 HydrophobicContact CD1-CB 3.61Å; Y264-H448 AromaticContact CD1-CD2 3.58Å; Y264-H448 AromaticContact CD1-CG 3.51Å; Y264-H448 AromaticContact CE1-CD2 3.75Å; Y264-H448 AromaticContact CE1-NE2 3.97Å; Y264-H448 HydrophobicContact CG-CB 3.99Å; Y264-H448 PolarHBondContact O-N 2.93Å
265N97.9Very high88.2Confident19 Ų1944.3 Ų44.310%0.10229%0.289CS..  trans-156.5102.3174-176.3-35.5000108.8N262 Y267 A268 V391 D453N262-N265 WeakPolarHBondContact CB-O 3.47Å; N262-N265 CarbonylContact O-C 3.59Å; N262-N265 PolarHBondContact O-N 3.1Å; N262-N265 PolarHBondContact OD1-N 3.27Å; N265-Y267 PolarHBondContact O-N 3.11Å; N265-Y267 PolarHBondContact OD1-N 3.24Å; N265-A268 HydrophobicContact CB-CB 3.68Å; N265-A268 WeakPolarHBondContact O-CB 3.4Å; N265-A268 PolarHBondContact O-N 3.22Å; N265-A268 PolarHBondContact OD1-N 2.97Å; N265-V391 HydrophobicContact CB-CG2 4.5Å; N265-V391 WeakPolarHBondContact OD1-CG2 3.35Å; N265-D453 PolarHBondContact ND2-OD2 3.08Å
266L97.9Very high87.2Confident16 Ų1648.3 Ų48.38%0.08431%0.306CS..THydrogen-bonded Turntrans-53.2-31.6-173171.560.1000113.4F210 H214 L216 L261 N262 V391 M393F210-L266 HydrophobicContact CE1-CD2 4Å; H214-L266 HydrophobicContact CB-CD2 3.62Å; L216-L266 HydrophobicContact CD1-CD1 4.12Å; L216-L266 HydrophobicContact CD2-CD1 3.88Å; L216-L266 HydrophobicContact CG-CD1 4.48Å; L261-L266 HydrophobicContact CD2-CD1 3.95Å; N262-L266 PolarHBondContact O-N 3.11Å; L266-V391 WeakPolarHBondContact CB-O 3.36Å; L266-V391 PolarHBondContact N-O 3.18Å; L266-M393 HydrophobicContact CB-CE 4.39Å; L266-M393 HydrophobicContact CB-CG 4.49Å; L266-M393 HydrophobicContact CB-SD 4.39Å; L266-M393 HydrophobicContact CD1-CE 3.95Å; L266-M393 HydrophobicContact CD1-SD 4.01Å
267Y97.9Very high86.5Confident157 Ų15749.8 Ų49.862%0.61631%0.312SS*.THydrogen-bonded Turntrans-98-1-175.3-54.2-60.3000113.6H214 N265 V391H214-Y267 PolarHBondContact CD2-OH 2.85Å; N265-Y267 PolarHBondContact O-N 3.11Å; N265-Y267 PolarHBondContact OD1-N 3.24Å; Y267-V391 HydrophobicContact CD2-CB 3.66Å; Y267-V391 HydrophobicContact CD2-CG1 3.55Å; Y267-V391 HydrophobicContact CD2-CG2 4.12Å; Y267-V391 HydrophobicContact CE2-CB 3.75Å; Y267-V391 HydrophobicContact CE2-CG1 3.38Å
268A96.4Very high86.3Confident33 Ų3353.7 Ų53.727%0.27333%0.329SS..SBendtrans-89.4155.1175.400000111.5N265N265-A268 HydrophobicContact CB-CB 3.68Å; N265-A268 WeakPolarHBondContact O-CB 3.4Å; N265-A268 PolarHBondContact O-N 3.22Å; N265-A268 PolarHBondContact OD1-N 2.97Å
269P94.4Very high86.4Confident115 Ų11552.9 Ų52.975%0.74732%0.324SS*.PPolyproline II helixtrans-62.7153.7166.929-34.9000110.8N262N262-P269 PolarHBondContact ND2-O 3.24Å
270C91.6Very high86.3Confident17 Ų1755 Ų5512%0.11533%0.334CS..PPolyproline II helixtrans-90.3117.2169.3-177.30000110.2G260 N262 G272 G273 C323G260-C270 VanDerWaalsContact O-CB 3.24Å; G260-C270 WeakPolarHBondContact O-CB 3.39Å; N262-C270 HydrophobicContact CB-CB 4.31Å; C270-G272 PolarHBondContact O-N 3.19Å; C270-G273 PolarHBondContact O-N 2.96Å; C270-G273 VanDerWaalsContact O-N 3.12Å; C270-G273 PolarHBondContact SG-O 3.41Å; C270-C323 HydrophobicContact CB-CB 3.78Å; C270-C323 WeakPolarHBondContact CB-SG 3.49Å; C270-C323 WeakPolarHBondContact SG-CA 3.24Å; C270-C323 WeakPolarHBondContact SG-CB 3.42Å; C270-C323 CovalentContact SG-SG 2.03Å; C270-C323 PolarHBondContact SG-SG 2.95Å
271A86.9Confident86Confident46 Ų4656.6 Ų56.638%0.3834%0.338SS..THydrogen-bonded Turntrans-60.9130.5174.800000110.2C323 N325A271-C323 WeakPolarHBondContact CB-O 3.27Å; A271-C323 PolarHBondContact N-O 2.99Å; A271-N325 HydrophobicContact CB-CB 4.18Å
272G78.8Confident85.6Confident90 Ų9063.7 Ų63.793%0.92837%0.369SS*.THydrogen-bonded Turntrans871.4-175.500000115.4C270C270-G272 PolarHBondContact O-N 3.19Å
273G78.8Confident84.9Confident41 Ų4165.9 Ų65.942%0.42340%0.396SS..SBendtrans87-146.817500000112.9C270 P275C270-G273 PolarHBondContact O-N 2.96Å; C270-G273 VanDerWaalsContact O-N 3.12Å; C270-G273 PolarHBondContact SG-O 3.41Å; G273-P275 WeakPolarHBondContact O-CD 3.32Å
274V71.1Confident84.4Confident95 Ų9567.7 Ų67.758%0.57640%0.404SS*.SBendtrans-76104.7178.3179.10000108.4
275P63.7Low83.9Confident16 Ų1667 Ų6710%0.10440%0.401CS..  trans-74.8140.7-177.732-29.4000109.2G273G273-P275 WeakPolarHBondContact O-CD 3.32Å
276H71.2Confident83.4Confident131 Ų13166 Ų6661%0.60640%0.396SS*.  trans-81.6146.5148.7-63.6-60.7000107.7F278H276-F278 WeakPolarHBondContact CB-O 3.34Å; H276-F278 PolarHBondContact O-N 3.18Å
277R75.2Confident82.9Confident35 Ų3565.4 Ų65.413%0.13239%0.393CS..SBendtrans-51.8-23.2174.6-71.5-168-173.1-1715.3113.1Q253 Y257 R288 D289Q253-R277 PolarHBondContact O-NH2 3.42Å; Y257-R277 HydrophobicContact CD1-CG 4.3Å; Y257-R277 HydrophobicContact CG-CG 4.34Å; Y257-R277 VanDerWaalsContact CG-NE 3.32Å; R277-R288 PolarHBondContact O-N 3.34Å; R277-D289 IonicContact NH1-OD2 2.99Å
278F79.3Confident82.4Confident101 Ų10160.4 Ų60.444%0.44337%0.373SS..EExtended strand (participates in β ladder)trans-147.1151.5176.757.2-76.8000110.3H276 V286 W303H276-F278 WeakPolarHBondContact CB-O 3.34Å; H276-F278 PolarHBondContact O-N 3.18Å; F278-V286 CarbonylContact C-O 3.57Å; F278-V286 WeakPolarHBondContact CA-O 3.28Å; F278-W303 HydrophobicContact CB-CH2 4.14Å; F278-W303 AromaticContact CD1-CH2 3.41Å; F278-W303 HydrophobicContact CD1-CH2 3.41Å; F278-W303 VanDerWaalsContact CD1-CH2 3.41Å; F278-W303 AromaticContact CD1-CZ2 3.11Å; F278-W303 HydrophobicContact CD1-CZ2 3.11Å; F278-W303 HydrophobicContact CE1-CH2 4.07Å; F278-W303 AromaticContact CE1-CZ2 3.27Å; F278-W303 HydrophobicContact CE1-CZ2 3.27Å; F278-W303 AromaticContact CG-CH2 3.95Å; F278-W303 HydrophobicContact CG-CH2 3.95Å; F278-W303 AromaticContact CG-CZ2 3.86Å; F278-W303 HydrophobicContact CG-CZ2 3.86Å; F278-W303 HydrophobicContact CZ-CZ2 4.11Å
279S82.8Confident82Confident33 Ų3359.3 Ų59.323%0.23136%0.363CS..EExtended strand (participates in β ladder)trans-146165.1170.5610000110.2V286 R288S279-V286 PolarHBondContact N-O 2.72Å; S279-V286 PolarHBondContact O-N 2.79Å; S279-R288 PolarHBondContact OG-NH1 2.86Å; S279-R288 PolarHBondContact OG-NH2 3.26Å
280V82.5Confident81.7Confident100 Ų10054.5 Ų54.561%0.60633%0.33SS*.EExtended strand (participates in β ladder)trans-105.6122.2164.8179.50000107.6Q284V280-Q284 WeakPolarHBondContact CA-O 3.19Å
281D80.5Confident81.6Confident54 Ų5454.2 Ų54.229%0.28933%0.33SS..EExtended strand (participates in β ladder)trans-124.2116.8-179.5-177.721.8000108.3G283 Q284 V286 R318D281-G283 PolarHBondContact O-N 2.99Å; D281-Q284 PolarHBondContact N-O 3.11Å; D281-Q284 WeakPolarHBondContact O-CB 3.39Å; D281-Q284 PolarHBondContact O-N 2.88Å; D281-V286 HydrophobicContact CB-CG2 3.69Å; D281-R318 IonicContact OD2-CZ 3.4Å; D281-R318 IonicContact OD2-NH1 3.93Å; D281-R318 PolarHBondContact OD2-NH1 3.16Å; D281-R318 IonicContact OD2-NH2 3.18Å; D281-R318 PolarHBondContact OD2-NH2 3.15Å
282H83Confident81.8Confident193 Ų19352.6 Ų52.689%0.89432%0.315SS*.THydrogen-bonded Turntrans48.734.9-177.1-60.885000114.9Q284H282-Q284 VanDerWaalsContact C-N 3.3Å; H282-Q284 PolarHBondContact O-N 2.8Å
283G80.5Confident82.4Confident61 Ų6148.8 Ų48.863%0.62927%0.274SS*.THydrogen-bonded Turntrans82.90.1-178.800000115D281D281-G283 PolarHBondContact O-N 2.99Å
284Q84.9Confident83.1Confident45 Ų4546.9 Ų46.921%0.2125%0.254CS..EExtended strand (participates in β ladder)trans-94.2135.8172.4-173.2173.453.300110.4V280 D281 H282 V286 S316 R318V280-Q284 WeakPolarHBondContact CA-O 3.19Å; D281-Q284 PolarHBondContact N-O 3.11Å; D281-Q284 WeakPolarHBondContact O-CB 3.39Å; D281-Q284 PolarHBondContact O-N 2.88Å; H282-Q284 VanDerWaalsContact C-N 3.3Å; H282-Q284 PolarHBondContact O-N 2.8Å; Q284-V286 PolarHBondContact O-N 3.38Å; Q284-S316 PolarHBondContact NE2-OG 2.96Å; Q284-R318 VanDerWaalsContact CD-CB 3.48Å; Q284-R318 HydrophobicContact CG-CB 4.05Å; Q284-R318 VanDerWaalsContact OE1-NH1 3.13Å
285L87.4Confident83.9Confident8 Ų843.2 Ų43.24%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-77.4116.2170.5177.665000108.7V287 L307 L310 S316 V317 R318L285-V287 HydrophobicContact CG-CG2 4.34Å; L285-L307 HydrophobicContact CD2-CD1 4.1Å; L285-L310 HydrophobicContact CD2-CB 4.48Å; L285-S316 PolarHBondContact N-O 2.85Å; L285-S316 VanDerWaalsContact N-O 3.15Å; L285-V317 HydrophobicContact CB-CG2 4.42Å; L285-V317 HydrophobicContact CD2-CG2 4.43Å; L285-V317 CarbonylContact O-C 3.51Å; L285-V317 WeakPolarHBondContact O-CA 3.48Å; L285-R318 PolarHBondContact O-N 3.01Å
286V87.1Confident85.1Confident0 Ų044.3 Ų44.30%024%0.236CC..EExtended strand (participates in β ladder)trans-101.6119.9176.8-174.90000108.9F278 S279 D281 Q284 R288 R318 D320F278-V286 CarbonylContact C-O 3.57Å; F278-V286 WeakPolarHBondContact CA-O 3.28Å; S279-V286 PolarHBondContact N-O 2.72Å; S279-V286 PolarHBondContact O-N 2.79Å; D281-V286 HydrophobicContact CB-CG2 3.69Å; Q284-V286 PolarHBondContact O-N 3.38Å; V286-R288 HydrophobicContact CG1-CG 4.43Å; V286-R318 WeakPolarHBondContact CA-O 3.49Å; V286-R318 HydrophobicContact CG2-CB 4.49Å; V286-D320 HydrophobicContact CG1-CB 4.22Å; V286-D320 VanDerWaalsContact CG1-OD2 3.3Å; V286-D320 WeakPolarHBondContact CG1-OD2 3.35Å
287V87.8Confident85.9Confident3 Ų338.6 Ų38.62%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-101.9136.1176.6-177.30000108.6L285 L307 V317 R318 L319 D320L285-V287 HydrophobicContact CG-CG2 4.34Å; V287-L307 HydrophobicContact CG1-CD2 4.22Å; V287-L307 HydrophobicContact CG2-CD1 3.9Å; V287-L307 HydrophobicContact CG2-CD2 4.42Å; V287-V317 HydrophobicContact CG2-CG1 4.1Å; V287-R318 PolarHBondContact N-O 3.5Å; V287-L319 HydrophobicContact CB-CD1 4Å; V287-L319 HydrophobicContact CG1-CD1 3.95Å; V287-D320 PolarHBondContact O-N 3.37Å
288R87.1Confident86.4Confident51 Ų5142 Ų4219%0.19223%0.227CC..  trans-125.530.2178.6-61.9-176.8-174.877.14.5112.6R277 S279 V286 D320 P322R277-R288 PolarHBondContact O-N 3.34Å; S279-R288 PolarHBondContact OG-NH1 2.86Å; S279-R288 PolarHBondContact OG-NH2 3.26Å; V286-R288 HydrophobicContact CG1-CG 4.43Å; R288-D320 WeakPolarHBondContact CA-O 3.47Å; R288-D320 HydrophobicContact CG-CB 4.36Å; R288-P322 HydrophobicContact CB-CB 4.42Å; R288-P322 WeakPolarHBondContact O-CB 3.45Å; R288-P322 WeakPolarHBondContact O-CD 3Å; R288-P322 VanDerWaalsContact O-CG 3.3Å; R288-P322 WeakPolarHBondContact O-CG 3.23Å
289D87.1Confident86.4Confident11 Ų1141.6 Ų41.66%0.05923%0.226CC..  trans-129.3122.5176.2-173.7-3.6000108.3R277 G291R277-D289 IonicContact NH1-OD2 2.99Å; D289-G291 VanDerWaalsContact C-N 3.26Å; D289-G291 PolarHBondContact OD1-N 3.23Å
290M89.1Confident86.5Confident13 Ų1340.2 Ų40.26%0.06422%0.216CC..  trans-80.6-9.5-179.9-59.1-52.3-66.700112.6G74 C77 N292 L319 N359 R364G74-M290 VanDerWaalsContact CA-CE 3.5Å; C77-M290 WeakPolarHBondContact SG-CE 3.45Å; M290-N292 PolarHBondContact O-OD1 3.29Å; M290-L319 HydrophobicContact CE-CD2 3.82Å; M290-L319 HydrophobicContact CE-CG 4.42Å; M290-L319 HydrophobicContact SD-CD1 3.87Å; M290-L319 HydrophobicContact SD-CD2 3.93Å; M290-L319 HydrophobicContact SD-CG 3.95Å; M290-N359 PolarHBondContact O-ND2 2.94Å; M290-R364 PolarHBondContact O-NH2 2.66Å
291G88.8Confident86.6Confident11 Ų1141.3 Ų41.311%0.11321%0.209CC..SBendtrans73.333172.700000114.4D289 I295 R364D289-G291 VanDerWaalsContact C-N 3.26Å; D289-G291 PolarHBondContact OD1-N 3.23Å; G291-I295 VanDerWaalsContact O-CG2 3.29Å; G291-I295 WeakPolarHBondContact O-CG2 3.34Å; G291-R364 PolarHBondContact O-NE 3.31Å; G291-R364 PolarHBondContact O-NH2 3.22Å
292N90.8Very high86.8Confident12 Ų1243.9 Ų43.96%0.06422%0.22CC..  trans-115-6.3-176.2-58.7-33.9000114.9G74 M197 Y200 M290 R364G74-N292 PolarHBondContact O-ND2 2.97Å; M197-N292 HydrophobicContact CE-CB 4.18Å; Y200-N292 WeakPolarHBondContact CD1-O 3.33Å; Y200-N292 HydrophobicContact CE1-CB 4.26Å; Y200-N292 WeakPolarHBondContact CE1-O 3.04Å; M290-N292 PolarHBondContact O-OD1 3.29Å; N292-R364 PolarHBondContact OD1-NE 3.04Å; N292-R364 VanDerWaalsContact OD1-NE 3.07Å; N292-R364 PolarHBondContact OD1-NH2 3.18Å
293I92Very high86.6Confident10 Ų1037.8 Ų37.85%0.05119%0.189CC..SBendtrans-116.2137.2-176.7-46.3179.6000108.5D204 L207 Y257 I263 I295D204-I293 WeakPolarHBondContact OD1-CG2 3.41Å; L207-I293 HydrophobicContact CD2-CD1 4.16Å; L207-I293 HydrophobicContact CD2-CG2 3.42Å; L207-I293 VanDerWaalsContact CD2-CG2 3.42Å; Y257-I293 WeakPolarHBondContact OH-CB 3.33Å; I263-I293 HydrophobicContact CD1-CD1 3.47Å; I263-I293 VanDerWaalsContact CD1-CD1 3.47Å; I293-I295 PolarHBondContact O-N 3.42Å
294F92.9Very high86.6Confident1 Ų137.3 Ų37.30%0.00417%0.172CC..SBendtrans53.438.1-178-56.2-66000113D204 L207 V208 L249 Q253 L256 N296 H297 T300D204-F294 HydrophobicContact CB-CD1 4.07Å; D204-F294 HydrophobicContact CB-CE1 3.99Å; D204-F294 VanDerWaalsContact CG-N 3.33Å; D204-F294 PolarHBondContact OD1-N 2.82Å; D204-F294 VanDerWaalsContact OD2-CA 3.32Å; D204-F294 WeakPolarHBondContact OD2-CA 3.34Å; D204-F294 PolarHBondContact OD2-N 2.78Å; L207-F294 HydrophobicContact CD2-CE2 4.06Å; L207-F294 HydrophobicContact CD2-CZ 4.27Å; V208-F294 HydrophobicContact CG2-CE1 4Å; V208-F294 HydrophobicContact CG2-CZ 3.83Å; L249-F294 HydrophobicContact CD2-CE1 4.32Å; Q253-F294 HydrophobicContact CG-CB 4.49Å; Q253-F294 HydrophobicContact CG-CD2 3.49Å; Q253-F294 VanDerWaalsContact CG-CD2 3.49Å; Q253-F294 HydrophobicContact CG-CE2 3.95Å; Q253-F294 HydrophobicContact CG-CG 4.12Å; L256-F294 HydrophobicContact CD1-CE2 4.06Å; F294-N296 PolarHBondContact O-N 2.88Å; F294-N296 VanDerWaalsContact O-N 3.11Å; F294-H297 HydrophobicContact CB-CB 3.96Å; F294-H297 VanDerWaalsContact O-CB 3.26Å; F294-H297 WeakPolarHBondContact O-CB 3.49Å; F294-H297 PolarHBondContact O-N 2.81Å; F294-T300 VanDerWaalsContact O-CB 3.25Å; F294-T300 WeakPolarHBondContact O-CB 3.47Å; F294-T300 WeakPolarHBondContact O-CG2 3.49Å; F294-T300 PolarHBondContact O-OG1 2.93Å; F294-T300 VanDerWaalsContact O-OG1 3.12Å
295I89.4Confident86.5Confident19 Ų1941.6 Ų41.610%0.09719%0.192CC..THydrogen-bonded Turntrans-60.8-25.4-17361166.7000113.8Y200 G291 I293 R301 M367Y200-I295 HydrophobicContact CD1-CD1 3.54Å; Y200-I295 HydrophobicContact CD1-CG1 4Å; Y200-I295 HydrophobicContact CD1-CG2 4.12Å; Y200-I295 HydrophobicContact CE1-CD1 3.82Å; Y200-I295 HydrophobicContact CE1-CG2 4.11Å; Y200-I295 HydrophobicContact CG-CD1 3.94Å; G291-I295 VanDerWaalsContact O-CG2 3.29Å; G291-I295 WeakPolarHBondContact O-CG2 3.34Å; I293-I295 PolarHBondContact O-N 3.42Å; I295-R301 VanDerWaalsContact O-CG 3.32Å; I295-R301 WeakPolarHBondContact O-CG 3.33Å; I295-M367 HydrophobicContact CD1-CE 3.74Å; I295-M367 HydrophobicContact CD1-SD 3.56Å; I295-M367 VanDerWaalsContact CD1-SD 3.56Å
296N88.1Confident86.3Confident38 Ų3847.5 Ų47.520%0.20322%0.217CC..THydrogen-bonded Turntrans-95.1-8.3179.3-69.3-35.4000113.2H238 N239 F294 Q298 R301H238-N296 PolarHBondContact CE1-ND2 2.92Å; H238-N296 VanDerWaalsContact CE1-ND2 3.32Å; H238-N296 PolarHBondContact NE2-ND2 3.13Å; N239-N296 WeakPolarHBondContact OD1-CB 3.14Å; N239-N296 VanDerWaalsContact OD1-CG 3.22Å; N239-N296 PolarHBondContact OD1-ND2 2.64Å; F294-N296 PolarHBondContact O-N 2.88Å; F294-N296 VanDerWaalsContact O-N 3.11Å; N296-Q298 PolarHBondContact O-N 2.83Å; N296-R301 PolarHBondContact O-NE 3.15Å; N296-R301 PolarHBondContact O-NH2 2.88Å
297H88.5Confident86Confident12 Ų1248 Ų486%0.05622%0.22CC..SBendtrans-61.1139.9175.5-176.9-82.9000110T246 S250 Q253 F294 E299 T300 R301T246-H297 WeakPolarHBondContact CG2-NE2 3.33Å; T246-H297 PolarHBondContact O-NE2 2.79Å; S250-H297 PolarHBondContact OG-CE1 3.32Å; S250-H297 PolarHBondContact OG-NE2 3.31Å; Q253-H297 PolarHBondContact NE2-CE1 3.31Å; Q253-H297 PolarHBondContact NE2-ND1 2.85Å; F294-H297 HydrophobicContact CB-CB 3.96Å; F294-H297 VanDerWaalsContact O-CB 3.26Å; F294-H297 WeakPolarHBondContact O-CB 3.49Å; F294-H297 PolarHBondContact O-N 2.81Å; H297-E299 VanDerWaalsContact C-N 3.35Å; H297-E299 IonicContact CE1-OE2 3.31Å; H297-E299 PolarHBondContact ND1-N 3.5Å; H297-E299 PolarHBondContact O-N 2.74Å; H297-T300 PolarHBondContact O-N 2.93Å; H297-R301 PolarHBondContact O-N 2.74Å
298Q84.4Confident85.6Confident106 Ų10651.5 Ų51.550%0.49524%0.237SC..Hα-helixtrans-61.8-42.9-171.1-179.1178.4-11.900112T246 N296 R301 Q302T246-Q298 HydrophobicContact CG2-CB 4.34Å; N296-Q298 PolarHBondContact O-N 2.83Å; Q298-R301 PolarHBondContact O-N 2.9Å; Q298-Q302 WeakPolarHBondContact O-CG 3.48Å; Q298-Q302 PolarHBondContact O-N 3.01Å
299E80.6Confident85.3Confident93 Ų9353 Ų5344%0.43526%0.255SS..Hα-helixtrans-66.5-45.5178.5-65178.1-168.900110.3S250 H297 R301 Q302 W303S250-E299 WeakPolarHBondContact CB-OE1 3.17Å; S250-E299 WeakPolarHBondContact CB-OE2 3.25Å; S250-E299 PolarHBondContact OG-OE1 3.13Å; S250-E299 PolarHBondContact OG-OE2 3.32Å; H297-E299 VanDerWaalsContact C-N 3.35Å; H297-E299 IonicContact CE1-OE2 3.31Å; H297-E299 PolarHBondContact ND1-N 3.5Å; H297-E299 PolarHBondContact O-N 2.74Å; E299-R301 VanDerWaalsContact C-N 3.29Å; E299-R301 PolarHBondContact O-N 3.4Å; E299-Q302 PolarHBondContact O-N 3.06Å; E299-W303 WeakPolarHBondContact O-CB 3.4Å; E299-W303 PolarHBondContact O-N 3.46Å
300T84.3Confident84.9Confident3 Ų355.6 Ų55.62%0.01827%0.269CS..Hα-helixtrans-53.9-45.6175.8-52.80000111.6Q253 F294 H297 W303 N304Q253-T300 PolarHBondContact OE1-OG1 3.19Å; F294-T300 VanDerWaalsContact O-CB 3.25Å; F294-T300 WeakPolarHBondContact O-CB 3.47Å; F294-T300 WeakPolarHBondContact O-CG2 3.49Å; F294-T300 PolarHBondContact O-OG1 2.93Å; F294-T300 VanDerWaalsContact O-OG1 3.12Å; H297-T300 PolarHBondContact O-N 2.93Å; T300-W303 PolarHBondContact O-N 3.31Å; T300-N304 WeakPolarHBondContact O-CB 3.49Å; T300-N304 PolarHBondContact O-N 3.2Å; T300-N304 PolarHBondContact O-ND2 2.67Å
301R85Confident84.3Confident123 Ų12355.8 Ų55.846%0.46427%0.272SS..Hα-helixtrans-64.6-48.2178.4-75-171.2-79.3175.8-8.3113.2I295 N296 H297 Q298 E299 W303 N304 Q305I295-R301 VanDerWaalsContact O-CG 3.32Å; I295-R301 WeakPolarHBondContact O-CG 3.33Å; N296-R301 PolarHBondContact O-NE 3.15Å; N296-R301 PolarHBondContact O-NH2 2.88Å; H297-R301 PolarHBondContact O-N 2.74Å; Q298-R301 PolarHBondContact O-N 2.9Å; E299-R301 VanDerWaalsContact C-N 3.29Å; E299-R301 PolarHBondContact O-N 3.4Å; R301-W303 PolarHBondContact O-N 3.39Å; R301-N304 PolarHBondContact O-N 3.32Å; R301-Q305 WeakPolarHBondContact O-CG 3.28Å; R301-Q305 PolarHBondContact O-N 2.74Å; R301-Q305 VanDerWaalsContact O-N 3.12Å
302Q84Confident83.7Confident108 Ų10859.6 Ų59.651%0.50530%0.303SS..Hα-helixtrans-61.9-38.3177.3-71179-0.300111.1Q298 E299 Q305 K306Q298-Q302 WeakPolarHBondContact O-CG 3.48Å; Q298-Q302 PolarHBondContact O-N 3.01Å; E299-Q302 PolarHBondContact O-N 3.06Å; Q302-Q305 PolarHBondContact O-N 3.37Å; Q302-K306 PolarHBondContact O-N 3.29Å; Q302-K306 VanDerWaalsContact O-N 3.1Å
303W78.6Confident82.8Confident66 Ų6662.8 Ų62.825%0.2533%0.331CS..Hα-helixtrans-68.3-45.4-179.8-153.787.8000111.7F278 E299 T300 R301 Q305 K306 L307F278-W303 HydrophobicContact CB-CH2 4.14Å; F278-W303 AromaticContact CD1-CH2 3.41Å; F278-W303 HydrophobicContact CD1-CH2 3.41Å; F278-W303 VanDerWaalsContact CD1-CH2 3.41Å; F278-W303 AromaticContact CD1-CZ2 3.11Å; F278-W303 HydrophobicContact CD1-CZ2 3.11Å; F278-W303 HydrophobicContact CE1-CH2 4.07Å; F278-W303 AromaticContact CE1-CZ2 3.27Å; F278-W303 HydrophobicContact CE1-CZ2 3.27Å; F278-W303 AromaticContact CG-CH2 3.95Å; F278-W303 HydrophobicContact CG-CH2 3.95Å; F278-W303 AromaticContact CG-CZ2 3.86Å; F278-W303 HydrophobicContact CG-CZ2 3.86Å; F278-W303 HydrophobicContact CZ-CZ2 4.11Å; E299-W303 WeakPolarHBondContact O-CB 3.4Å; E299-W303 PolarHBondContact O-N 3.46Å; T300-W303 PolarHBondContact O-N 3.31Å; R301-W303 PolarHBondContact O-N 3.39Å; W303-Q305 VanDerWaalsContact C-N 3.31Å; W303-Q305 PolarHBondContact O-N 2.78Å; W303-K306 WeakPolarHBondContact O-CB 3.11Å; W303-K306 PolarHBondContact O-N 2.85Å; W303-K306 VanDerWaalsContact O-N 3.12Å; W303-L307 HydrophobicContact CE3-CB 4.37Å; W303-L307 HydrophobicContact CH2-CD1 4.19Å; W303-L307 HydrophobicContact CZ3-CB 4.19Å; W303-L307 HydrophobicContact CZ3-CD1 4.25Å; W303-L307 HydrophobicContact CZ3-CD2 3.91Å; W303-L307 HydrophobicContact CZ3-CG 4.35Å; W303-L307 WeakPolarHBondContact O-CB 3.49Å; W303-L307 PolarHBondContact O-N 3.44Å
304N81.1Confident81.4Confident50 Ų5065.7 Ų65.727%0.26734%0.344SS..Hα-helixtrans-59.3-40.3174.6-72.4-13.5000112.2T300 R301 K306 L307 M308T300-N304 WeakPolarHBondContact O-CB 3.49Å; T300-N304 PolarHBondContact O-N 3.2Å; T300-N304 PolarHBondContact O-ND2 2.67Å; R301-N304 PolarHBondContact O-N 3.32Å; N304-K306 PolarHBondContact O-N 3.2Å; N304-L307 PolarHBondContact O-N 2.73Å; N304-M308 WeakPolarHBondContact O-CG 3.35Å; N304-M308 PolarHBondContact O-N 2.93Å
305Q81.7Confident79.9Confident136 Ų13674.7 Ų74.764%0.63639%0.391SS*.Hα-helixtrans-62.7-41.6174.7-72.1174.1-2.200112.4R301 Q302 W303 M308 S309R301-Q305 WeakPolarHBondContact O-CG 3.28Å; R301-Q305 PolarHBondContact O-N 2.74Å; R301-Q305 VanDerWaalsContact O-N 3.12Å; Q302-Q305 PolarHBondContact O-N 3.37Å; W303-Q305 VanDerWaalsContact C-N 3.31Å; W303-Q305 PolarHBondContact O-N 2.78Å; Q305-M308 PolarHBondContact O-N 3.3Å; Q305-S309 PolarHBondContact O-N 3.07Å; Q305-S309 VanDerWaalsContact O-N 3.12Å; Q305-S309 PolarHBondContact O-OG 2.83Å
306K83.4Confident79.6Confident132 Ų13276.4 Ų76.457%0.57441%0.405SS*.Hα-helixtrans-66.9-41.4175.9-174.3177.4179.3-178.50111.3Q302 W303 N304 S309 L310Q302-K306 PolarHBondContact O-N 3.29Å; Q302-K306 VanDerWaalsContact O-N 3.1Å; W303-K306 WeakPolarHBondContact O-CB 3.11Å; W303-K306 PolarHBondContact O-N 2.85Å; W303-K306 VanDerWaalsContact O-N 3.12Å; N304-K306 PolarHBondContact O-N 3.2Å; K306-S309 WeakPolarHBondContact O-CB 3.38Å; K306-S309 PolarHBondContact O-N 3.35Å; K306-L310 HydrophobicContact CG-CD1 4.21Å; K306-L310 WeakPolarHBondContact O-CG 3.46Å; K306-L310 PolarHBondContact O-N 2.56Å
307L81.6Confident79.5Confident9 Ų975.9 Ų75.95%0.04740%0.403CS..Hα-helixtrans-60-46.1176.2-178.666.8000111L285 V287 W303 N304 S309 L310 A311 L360L285-L307 HydrophobicContact CD2-CD1 4.1Å; V287-L307 HydrophobicContact CG1-CD2 4.22Å; V287-L307 HydrophobicContact CG2-CD1 3.9Å; V287-L307 HydrophobicContact CG2-CD2 4.42Å; W303-L307 HydrophobicContact CE3-CB 4.37Å; W303-L307 HydrophobicContact CH2-CD1 4.19Å; W303-L307 HydrophobicContact CZ3-CB 4.19Å; W303-L307 HydrophobicContact CZ3-CD1 4.25Å; W303-L307 HydrophobicContact CZ3-CD2 3.91Å; W303-L307 HydrophobicContact CZ3-CG 4.35Å; W303-L307 WeakPolarHBondContact O-CB 3.49Å; W303-L307 PolarHBondContact O-N 3.44Å; N304-L307 PolarHBondContact O-N 2.73Å; L307-S309 VanDerWaalsContact C-N 3.27Å; L307-S309 PolarHBondContact O-N 3.45Å; L307-L310 PolarHBondContact O-N 2.9Å; L307-L310 VanDerWaalsContact O-N 3.15Å; L307-A311 VanDerWaalsContact O-CB 3.3Å; L307-A311 WeakPolarHBondContact O-CB 3.45Å; L307-A311 PolarHBondContact O-N 3.29Å; L307-L360 HydrophobicContact CD2-CD2 3.52Å; L307-L360 HydrophobicContact CG-CD2 4.03Å
308M79.4Confident79.5Confident78 Ų7878.8 Ų78.838%0.38441%0.413SS..Hα-helixtrans-58.8-40.3175.3-72.5-59-71.600112.1N304 Q305 A312 L360 M361N304-M308 WeakPolarHBondContact O-CG 3.35Å; N304-M308 PolarHBondContact O-N 2.93Å; Q305-M308 PolarHBondContact O-N 3.3Å; M308-A312 WeakPolarHBondContact O-CB 3.37Å; M308-A312 PolarHBondContact O-N 3.24Å; M308-L360 HydrophobicContact SD-CB 3.77Å; M308-L360 HydrophobicContact SD-CD2 4.21Å; M308-L360 HydrophobicContact SD-CG 4.49Å; M308-L360 VanDerWaalsContact SD-O 3.37Å; M308-M361 HydrophobicContact CE-CG 4.4Å
309S81Confident79.8Confident81 Ų8173.9 Ų73.957%0.56639%0.391SS*.Hα-helixtrans-67-38.8177.2-53.70000112Q305 K306 L307 A313Q305-S309 PolarHBondContact O-N 3.07Å; Q305-S309 VanDerWaalsContact O-N 3.12Å; Q305-S309 PolarHBondContact O-OG 2.83Å; K306-S309 WeakPolarHBondContact O-CB 3.38Å; K306-S309 PolarHBondContact O-N 3.35Å; L307-S309 VanDerWaalsContact C-N 3.27Å; L307-S309 PolarHBondContact O-N 3.45Å; S309-A313 PolarHBondContact O-N 3.45Å
310L77.6Confident80.2Confident67 Ų6770.6 Ų70.635%0.35138%0.376SS..Hα-helixtrans-70.2-44.2176.1-72.9170.5000111.9L285 K306 L307 A312 A313 H314L285-L310 HydrophobicContact CD2-CB 4.48Å; K306-L310 HydrophobicContact CG-CD1 4.21Å; K306-L310 WeakPolarHBondContact O-CG 3.46Å; K306-L310 PolarHBondContact O-N 2.56Å; L307-L310 PolarHBondContact O-N 2.9Å; L307-L310 VanDerWaalsContact O-N 3.15Å; L310-A312 VanDerWaalsContact C-N 3.31Å; L310-A312 PolarHBondContact O-N 3.07Å; L310-A313 CarbonylContact O-C 3.56Å; L310-A313 WeakPolarHBondContact O-CA 3.47Å; L310-A313 PolarHBondContact O-N 3.23Å; L310-H314 PolarHBondContact O-N 2.98Å; L310-H314 PolarHBondContact O-ND1 3.46Å
311A78Confident80.4Confident17 Ų1770.9 Ų70.914%0.1438%0.378CS..Hα-helixtrans-60.2-41.5176.400000111.1L307 A313 H314 V317 L360L307-A311 VanDerWaalsContact O-CB 3.3Å; L307-A311 WeakPolarHBondContact O-CB 3.45Å; L307-A311 PolarHBondContact O-N 3.29Å; A311-A313 PolarHBondContact O-N 3.12Å; A311-H314 PolarHBondContact O-N 3.11Å; A311-V317 HydrophobicContact CB-CG2 3.99Å; A311-L360 HydrophobicContact CB-CD1 3.87Å
312A76Confident80.5Confident91 Ų9165.5 Ų65.575%0.75236%0.359SS*.Hα-helixtrans-64.6-25.7173.400000113.5M308 L310M308-A312 WeakPolarHBondContact O-CB 3.37Å; M308-A312 PolarHBondContact O-N 3.24Å; L310-A312 VanDerWaalsContact C-N 3.31Å; L310-A312 PolarHBondContact O-N 3.07Å
313A71Confident80.7Confident79 Ų7960.9 Ų60.965%0.65334%0.339SS*.Hα-helixtrans-91.4-18.2178.600000114S309 L310 A311S309-A313 PolarHBondContact O-N 3.45Å; L310-A313 CarbonylContact O-C 3.56Å; L310-A313 WeakPolarHBondContact O-CA 3.47Å; L310-A313 PolarHBondContact O-N 3.23Å; A311-A313 PolarHBondContact O-N 3.12Å
314H63.3Low81.3Confident71 Ų7159.5 Ų59.533%0.32934%0.337SS..SBendtrans-98.5133.6179.4-72.856.9000110.1L310 A311 S316L310-H314 PolarHBondContact O-N 2.98Å; L310-H314 PolarHBondContact O-ND1 3.46Å; A311-H314 PolarHBondContact O-N 3.11Å; H314-S316 PolarHBondContact O-N 3.26Å
315L61.4Low81.8Confident190 Ų19061.8 Ų61.8100%0.99535%0.349SS*.SBendtrans-73-13.9-178.2-71.3161.4000113.6
316S82.6Confident82.3Confident55 Ų5556 Ų5639%0.38532%0.324SS..  trans-149124.5180-174.80000111.7Q284 L285 H314Q284-S316 PolarHBondContact NE2-OG 2.96Å; L285-S316 PolarHBondContact N-O 2.85Å; L285-S316 VanDerWaalsContact N-O 3.15Å; H314-S316 PolarHBondContact O-N 3.26Å
317V86.9Confident82.9Confident26 Ų2653.4 Ų53.416%0.15832%0.319CS..EExtended strand (participates in β ladder)trans-122.6141.3176.8-174.70000108.3L285 V287 A311 S356 L360L285-V317 HydrophobicContact CB-CG2 4.42Å; L285-V317 HydrophobicContact CD2-CG2 4.43Å; L285-V317 CarbonylContact O-C 3.51Å; L285-V317 WeakPolarHBondContact O-CA 3.48Å; V287-V317 HydrophobicContact CG2-CG1 4.1Å; A311-V317 HydrophobicContact CB-CG2 3.99Å; V317-S356 PolarHBondContact O-OG 3.36Å; V317-S356 VanDerWaalsContact O-OG 3.09Å; V317-L360 HydrophobicContact CG1-CD1 4.18Å
318R88.1Confident83.6Confident73 Ų7353.5 Ų53.528%0.27532%0.321SS..EExtended strand (participates in β ladder)trans-124.7142.2172.8-170.8174.579.9-144.810.1109.5D281 Q284 L285 V286 V287 D320D281-R318 IonicContact OD2-CZ 3.4Å; D281-R318 IonicContact OD2-NH1 3.93Å; D281-R318 PolarHBondContact OD2-NH1 3.16Å; D281-R318 IonicContact OD2-NH2 3.18Å; D281-R318 PolarHBondContact OD2-NH2 3.15Å; Q284-R318 VanDerWaalsContact CD-CB 3.48Å; Q284-R318 HydrophobicContact CG-CB 4.05Å; Q284-R318 VanDerWaalsContact OE1-NH1 3.13Å; L285-R318 PolarHBondContact O-N 3.01Å; V286-R318 WeakPolarHBondContact CA-O 3.49Å; V286-R318 HydrophobicContact CG2-CB 4.49Å; V287-R318 PolarHBondContact N-O 3.5Å; R318-D320 VanDerWaalsContact CD-OD1 3.32Å; R318-D320 WeakPolarHBondContact CD-OD1 3.38Å; R318-D320 WeakPolarHBondContact CG-OD1 3.39Å; R318-D320 IonicContact CZ-OD1 3.47Å; R318-D320 IonicContact CZ-OD2 3.89Å; R318-D320 VanDerWaalsContact CZ-OD2 3.31Å; R318-D320 VanDerWaalsContact NE-CG 3.3Å; R318-D320 IonicContact NE-OD1 3.95Å; R318-D320 PolarHBondContact NE-OD1 2.96Å; R318-D320 IonicContact NE-OD2 2.88Å; R318-D320 PolarHBondContact NE-OD2 3.3Å; R318-D320 IonicContact NH2-OD2 2.65Å; R318-D320 PolarHBondContact NH2-OD2 2.98Å
319L90.3Very high84.5Confident4 Ų450 Ų502%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-113.4110.5173.2-179.363000108.6V287 M290 C354 N359V287-L319 HydrophobicContact CB-CD1 4Å; V287-L319 HydrophobicContact CG1-CD1 3.95Å; M290-L319 HydrophobicContact CE-CD2 3.82Å; M290-L319 HydrophobicContact CE-CG 4.42Å; M290-L319 HydrophobicContact SD-CD1 3.87Å; M290-L319 HydrophobicContact SD-CD2 3.93Å; M290-L319 HydrophobicContact SD-CG 3.95Å; L319-C354 HydrophobicContact CB-CB 4.37Å; L319-C354 HydrophobicContact CD2-CB 3.91Å; L319-C354 HydrophobicContact CG-CB 4.09Å; L319-N359 HydrophobicContact CD2-CB 3.38Å; L319-N359 VanDerWaalsContact CD2-CG 3.5Å
320D88.4Confident85.3Confident23 Ų2347.5 Ų47.512%0.12329%0.286CS..  trans-106118.1174.7-66.9-12.4000107.4V286 V287 R288 R318V286-D320 HydrophobicContact CG1-CB 4.22Å; V286-D320 VanDerWaalsContact CG1-OD2 3.3Å; V286-D320 WeakPolarHBondContact CG1-OD2 3.35Å; V287-D320 PolarHBondContact O-N 3.37Å; R288-D320 WeakPolarHBondContact CA-O 3.47Å; R288-D320 HydrophobicContact CG-CB 4.36Å; R318-D320 VanDerWaalsContact CD-OD1 3.32Å; R318-D320 WeakPolarHBondContact CD-OD1 3.38Å; R318-D320 WeakPolarHBondContact CG-OD1 3.39Å; R318-D320 IonicContact CZ-OD1 3.47Å; R318-D320 IonicContact CZ-OD2 3.89Å; R318-D320 VanDerWaalsContact CZ-OD2 3.31Å; R318-D320 VanDerWaalsContact NE-CG 3.3Å; R318-D320 IonicContact NE-OD1 3.95Å; R318-D320 PolarHBondContact NE-OD1 2.96Å; R318-D320 IonicContact NE-OD2 2.88Å; R318-D320 PolarHBondContact NE-OD2 3.3Å; R318-D320 IonicContact NH2-OD2 2.65Å; R318-D320 PolarHBondContact NH2-OD2 2.98Å
321P89.3Confident86.3Confident10 Ų1049.1 Ų49.17%0.06530%0.295CS..  trans-53.5131.8174.1-26.835.4000110.3Y264 C323 T324 I353 C354Y264-P321 HydrophobicContact CE2-CB 4Å; P321-C323 PolarHBondContact O-N 2.84Å; P321-T324 HydrophobicContact CB-CG2 3.81Å; P321-T324 WeakPolarHBondContact CB-OG1 3.36Å; P321-T324 PolarHBondContact O-N 3.48Å; P321-T324 PolarHBondContact O-OG1 2.79Å; P321-I353 HydrophobicContact CG-CD1 4.28Å; P321-I353 HydrophobicContact CG-CG2 4.22Å; P321-C354 WeakPolarHBondContact CG-SG 3.26Å
322P86.2Confident87.3Confident10 Ų1048.5 Ų48.57%0.06529%0.289CS..THydrogen-bonded Turntrans-53.8136.3-173.811.7-24.4000112.1I263 Y264 R288 T324I263-P322 HydrophobicContact CG2-CB 4.27Å; I263-P322 HydrophobicContact CG2-CG 3.9Å; Y264-P322 WeakPolarHBondContact CD2-O 3.27Å; Y264-P322 HydrophobicContact CE2-CG 3.95Å; Y264-P322 WeakPolarHBondContact CE2-O 3.49Å; R288-P322 HydrophobicContact CB-CB 4.42Å; R288-P322 WeakPolarHBondContact O-CB 3.45Å; R288-P322 WeakPolarHBondContact O-CD 3Å; R288-P322 VanDerWaalsContact O-CG 3.3Å; R288-P322 WeakPolarHBondContact O-CG 3.23Å; P322-T324 PolarHBondContact O-N 3.3Å; P322-T324 VanDerWaalsContact O-N 3.13Å
323C89.8Confident88.4Confident11 Ų1144.1 Ų44.17%0.07425%0.253CS..THydrogen-bonded Turntrans6118.4176.9-57.40000115.9L261 N262 C270 A271 P321L261-C323 PolarHBondContact O-SG 3.11Å; N262-C323 VanDerWaalsContact CA-SG 3.59Å; N262-C323 HydrophobicContact CB-CB 3.95Å; N262-C323 VanDerWaalsContact CG-CB 3.48Å; C270-C323 HydrophobicContact CB-CB 3.78Å; C270-C323 WeakPolarHBondContact CB-SG 3.49Å; C270-C323 WeakPolarHBondContact SG-CA 3.24Å; C270-C323 WeakPolarHBondContact SG-CB 3.42Å; C270-C323 CovalentContact SG-SG 2.03Å; C270-C323 PolarHBondContact SG-SG 2.95Å; A271-C323 WeakPolarHBondContact CB-O 3.27Å; A271-C323 PolarHBondContact N-O 2.99Å; P321-C323 PolarHBondContact O-N 2.84Å
324T90.1Very high89.7Confident36 Ų3642.6 Ų42.622%0.22123%0.234CC..  trans-103.9156.2173.469.60000111.7Y264 P321 P322Y264-T324 HydrophobicContact CD2-CG2 3.94Å; Y264-T324 HydrophobicContact CE2-CG2 3.94Å; P321-T324 HydrophobicContact CB-CG2 3.81Å; P321-T324 WeakPolarHBondContact CB-OG1 3.36Å; P321-T324 PolarHBondContact O-N 3.48Å; P321-T324 PolarHBondContact O-OG1 2.79Å; P322-T324 PolarHBondContact O-N 3.3Å; P322-T324 VanDerWaalsContact O-N 3.13Å
325N90.9Very high91.4Very high98 Ų9842.4 Ų42.452%0.52424%0.235SC..  trans-121.193.5171.1179.318.1000109.7A271 T327A271-N325 HydrophobicContact CB-CB 4.18Å; N325-T327 VanDerWaalsContact C-N 3.26Å; N325-T327 PolarHBondContact O-N 3.26Å; N325-T327 WeakPolarHBondContact OD1-CB 3.26Å; N325-T327 PolarHBondContact OD1-N 3.4Å; N325-T327 VanDerWaalsContact OD1-N 3.16Å; N325-T327 PolarHBondContact OD1-OG1 3.14Å
326S93.5Very high93.1Very high16 Ų1636.9 Ų36.911%0.11222%0.217CC..  trans-83.53.7178.160.90000113.9S329 S330S326-S329 PolarHBondContact O-N 3.5Å; S326-S330 WeakPolarHBondContact O-CB 3.2Å; S326-S330 PolarHBondContact O-N 3.21Å; S326-S330 PolarHBondContact O-OG 2.82Å
327T94.9Very high93.9Very high76 Ų7642.7 Ų42.747%0.46623%0.231SC..Hα-helixtrans-56-48.6-176.8-52.70000112.5N325 S329 S330 L331N325-T327 VanDerWaalsContact C-N 3.26Å; N325-T327 PolarHBondContact O-N 3.26Å; N325-T327 WeakPolarHBondContact OD1-CB 3.26Å; N325-T327 PolarHBondContact OD1-N 3.4Å; N325-T327 VanDerWaalsContact OD1-N 3.16Å; N325-T327 PolarHBondContact OD1-OG1 3.14Å; T327-S329 PolarHBondContact O-N 2.83Å; T327-S330 PolarHBondContact O-N 2.76Å; T327-L331 HydrophobicContact CG2-CD1 3.9Å; T327-L331 HydrophobicContact CG2-CG 4.2Å; T327-L331 WeakPolarHBondContact O-CG 3.39Å; T327-L331 PolarHBondContact O-N 2.9Å
328P97.9Very high94.4Very high11 Ų1141.5 Ų41.57%0.07123%0.225CC..Hα-helixtrans-62-46.4-178.5-22.735.2000112.9I92 Q93 G96 S330 L331 Y332I92-P328 HydrophobicContact CG1-CB 3.98Å; I92-P328 HydrophobicContact CG2-CB 4.49Å; Q93-P328 WeakPolarHBondContact O-CB 3.38Å; G96-P328 WeakPolarHBondContact CA-O 3.01Å; P328-S330 VanDerWaalsContact C-N 3.31Å; P328-S330 PolarHBondContact O-N 3.46Å; P328-L331 PolarHBondContact O-N 3.32Å; P328-Y332 WeakPolarHBondContact O-CB 3.5Å; P328-Y332 PolarHBondContact O-N 2.94Å
329S97.9Very high94.9Very high4 Ų439.9 Ų39.93%0.02822%0.219CC..Hα-helixtrans-60-42.4175.6-51.20000111.5S326 T327 Y332 L333S326-S329 PolarHBondContact O-N 3.5Å; T327-S329 PolarHBondContact O-N 2.83Å; S329-Y332 PolarHBondContact O-N 2.99Å; S329-L333 WeakPolarHBondContact O-CB 3.25Å; S329-L333 WeakPolarHBondContact O-CG 3.38Å; S329-L333 PolarHBondContact O-N 3.08Å
330S97.5Very high95.3Very high29 Ų2947.5 Ų47.520%0.20325%0.252CS..Hα-helixtrans-65.6-41.5180-57.40000112.3S326 T327 P328 N334S326-S330 WeakPolarHBondContact O-CB 3.2Å; S326-S330 PolarHBondContact O-N 3.21Å; S326-S330 PolarHBondContact O-OG 2.82Å; T327-S330 PolarHBondContact O-N 2.76Å; P328-S330 VanDerWaalsContact C-N 3.31Å; P328-S330 PolarHBondContact O-N 3.46Å; S330-N334 VanDerWaalsContact O-CB 3.24Å; S330-N334 WeakPolarHBondContact O-CB 3.4Å; S330-N334 PolarHBondContact O-N 3.06Å; S330-N334 VanDerWaalsContact O-N 3.13Å; S330-N334 PolarHBondContact O-ND2 2.79Å
331L98.4Very high95.8Very high101 Ų10147.2 Ų47.253%0.52925%0.253SS..Hα-helixtrans-64.9-43.5175.6-72.6174.3000111.5T327 P328 N335T327-L331 HydrophobicContact CG2-CD1 3.9Å; T327-L331 HydrophobicContact CG2-CG 4.2Å; T327-L331 WeakPolarHBondContact O-CG 3.39Å; T327-L331 PolarHBondContact O-N 2.9Å; P328-L331 PolarHBondContact O-N 3.32Å; L331-N335 PolarHBondContact O-N 3.4Å
332Y98.8Very high96.3Very high4 Ų446.7 Ų46.72%0.01625%0.25CC..Hα-helixtrans-66-54.9-179.2-177.8-100.1000111.8L27 P28 L84 I92 G96 L99 P328 S329 N334 N335 V338L27-Y332 WeakPolarHBondContact CD1-OH 3.46Å; L27-Y332 WeakPolarHBondContact CG-OH 3.09Å; P28-Y332 WeakPolarHBondContact O-CE2 3.45Å; P28-Y332 PolarHBondContact O-OH 3.35Å; L84-Y332 HydrophobicContact CD1-CD1 4.18Å; I92-Y332 HydrophobicContact CD1-CD1 4.46Å; I92-Y332 HydrophobicContact CD1-CD2 3.74Å; I92-Y332 HydrophobicContact CD1-CG 3.66Å; I92-Y332 HydrophobicContact CG1-CG 4.5Å; G96-Y332 VanDerWaalsContact O-CA 3.31Å; G96-Y332 WeakPolarHBondContact O-CA 3.07Å; G96-Y332 WeakPolarHBondContact O-CB 3.41Å; G96-Y332 PolarHBondContact O-N 2.97Å; L99-Y332 HydrophobicContact CD1-CE1 4.14Å; L99-Y332 HydrophobicContact CD1-CE2 4.11Å; L99-Y332 WeakPolarHBondContact CD1-OH 3.26Å; L99-Y332 HydrophobicContact CD2-CE1 4.23Å; L99-Y332 HydrophobicContact CD2-CE2 4.19Å; L99-Y332 HydrophobicContact CG-CE1 4.42Å; L99-Y332 HydrophobicContact CG-CE2 3.86Å; P328-Y332 WeakPolarHBondContact O-CB 3.5Å; P328-Y332 PolarHBondContact O-N 2.94Å; S329-Y332 PolarHBondContact O-N 2.99Å; Y332-N334 VanDerWaalsContact C-N 3.33Å; Y332-N334 PolarHBondContact O-N 3.41Å; Y332-N335 WeakPolarHBondContact O-CB 3.29Å; Y332-N335 PolarHBondContact O-N 2.86Å; Y332-N335 VanDerWaalsContact O-N 3.14Å; Y332-V338 HydrophobicContact CD1-CG1 4.08Å; Y332-V338 HydrophobicContact CD2-CG2 4.16Å; Y332-V338 HydrophobicContact CE1-CG1 3.66Å; Y332-V338 HydrophobicContact CE1-CG2 4.15Å; Y332-V338 HydrophobicContact CE2-CG2 3.77Å; Y332-V338 VanDerWaalsContact O-CB 3.31Å; Y332-V338 WeakPolarHBondContact O-CB 3.32Å; Y332-V338 WeakPolarHBondContact O-CG2 3.4Å
333L98.8Very high96.9Very high0 Ų049.5 Ų49.50%026%0.262CS..Hα-helixtrans-69.4-29.9-174.6-69.3173.2000112.4W54 L80 L84 F123 S329 N335 V338 K339 L342 W351W54-L333 HydrophobicContact CZ3-CD2 4.33Å; L80-L333 HydrophobicContact CB-CD1 4.19Å; L80-L333 HydrophobicContact CD1-CD1 4.07Å; L80-L333 HydrophobicContact CD1-CD2 4.09Å; L84-L333 HydrophobicContact CD1-CD1 3.77Å; L84-L333 HydrophobicContact CD1-CD2 3.93Å; L84-L333 HydrophobicContact CD1-CG 3.85Å; F123-L333 HydrophobicContact CE2-CB 4.25Å; F123-L333 HydrophobicContact CE2-CD2 4.24Å; F123-L333 HydrophobicContact CZ-CB 4.01Å; F123-L333 WeakPolarHBondContact CZ-O 3.46Å; S329-L333 WeakPolarHBondContact O-CB 3.25Å; S329-L333 WeakPolarHBondContact O-CG 3.38Å; S329-L333 PolarHBondContact O-N 3.08Å; L333-N335 VanDerWaalsContact C-N 3.3Å; L333-N335 PolarHBondContact O-N 2.91Å; L333-V338 HydrophobicContact CD2-CG1 4.37Å; L333-K339 VanDerWaalsContact O-CG 3.25Å; L333-K339 WeakPolarHBondContact O-CG 3.5Å; L333-L342 HydrophobicContact CD2-CD1 3.9Å; L333-W351 HydrophobicContact CB-CB 4.07Å; L333-W351 HydrophobicContact CB-CD2 4.05Å; L333-W351 HydrophobicContact CB-CE3 4.31Å; L333-W351 HydrophobicContact CB-CG 3.93Å; L333-W351 HydrophobicContact CD1-CD2 3.42Å; L333-W351 VanDerWaalsContact CD1-CD2 3.42Å; L333-W351 HydrophobicContact CD1-CE3 3.89Å; L333-W351 HydrophobicContact CD1-CG 3.86Å; L333-W351 HydrophobicContact CD1-CH2 3.97Å; L333-W351 HydrophobicContact CD1-CZ2 3.52Å; L333-W351 HydrophobicContact CD1-CZ3 4.14Å; L333-W351 HydrophobicContact CG-CD2 4.38Å
334N98.6Very high97.3Very high47 Ų4750.1 Ų50.125%0.25126%0.264SS..THydrogen-bonded Turntrans-82.6-3.6174.7-71.1-57.7000114.7S330 Y332 A336 K339 D350 W351S330-N334 VanDerWaalsContact O-CB 3.24Å; S330-N334 WeakPolarHBondContact O-CB 3.4Å; S330-N334 PolarHBondContact O-N 3.06Å; S330-N334 VanDerWaalsContact O-N 3.13Å; S330-N334 PolarHBondContact O-ND2 2.79Å; Y332-N334 VanDerWaalsContact C-N 3.33Å; Y332-N334 PolarHBondContact O-N 3.41Å; N334-A336 PolarHBondContact O-N 3.36Å; N334-K339 VanDerWaalsContact OD1-CE 3.3Å; N334-K339 WeakPolarHBondContact OD1-CE 3.24Å; N334-K339 PolarHBondContact OD1-NZ 3.43Å; N334-D350 WeakPolarHBondContact OD1-CA 3.32Å; N334-W351 PolarHBondContact ND2-O 3.19Å; N334-W351 PolarHBondContact OD1-N 3.05Å
335N98.6Very high97.7Very high66 Ų6649.3 Ų49.335%0.35326%0.26SS..SBendtrans-63.4129.5173.5-174.7-70.6000110.7L331 Y332 L333 Y337 V338 K339L331-N335 PolarHBondContact O-N 3.4Å; Y332-N335 WeakPolarHBondContact O-CB 3.29Å; Y332-N335 PolarHBondContact O-N 2.86Å; Y332-N335 VanDerWaalsContact O-N 3.14Å; L333-N335 VanDerWaalsContact C-N 3.3Å; L333-N335 PolarHBondContact O-N 2.91Å; N335-Y337 PolarHBondContact O-N 2.87Å; N335-Y337 VanDerWaalsContact O-N 3.16Å; N335-Y337 WeakPolarHBondContact OD1-CB 3.16Å; N335-Y337 WeakPolarHBondContact OD1-CD2 3.21Å; N335-Y337 PolarHBondContact OD1-N 3.47Å; N335-V338 HydrophobicContact CB-CB 4.1Å; N335-V338 HydrophobicContact CB-CG2 3.91Å; N335-V338 WeakPolarHBondContact O-CA 3.13Å; N335-V338 WeakPolarHBondContact O-CB 3.42Å; N335-V338 PolarHBondContact O-N 3.3Å; N335-K339 PolarHBondContact O-N 3.13Å
336A98.3Very high97.9Very high74 Ų7450.8 Ų50.861%0.61228%0.275SS*.Hα-helixtrans-58.2-33.1-176.600000114N334 K340N334-A336 PolarHBondContact O-N 3.36Å; A336-K340 WeakPolarHBondContact O-CB 3.42Å; A336-K340 PolarHBondContact O-N 3.03Å
337Y98.3Very high98Very high177 Ų17754.2 Ų54.269%0.69429%0.292SS*.Hα-helixtrans-73.2-34.5176.2-59.4-74.9000111.9N335 A341N335-Y337 PolarHBondContact O-N 2.87Å; N335-Y337 VanDerWaalsContact O-N 3.16Å; N335-Y337 WeakPolarHBondContact OD1-CB 3.16Å; N335-Y337 WeakPolarHBondContact OD1-CD2 3.21Å; N335-Y337 PolarHBondContact OD1-N 3.47Å; Y337-A341 WeakPolarHBondContact O-CB 3.14Å; Y337-A341 PolarHBondContact O-N 3.45Å
338V98.8Very high98Very high2 Ų251.3 Ų51.31%0.01228%0.276CS..Hα-helixtrans-69.7-49.4174.61760000109.9P28 Y332 L333 N335 K340 A341 L342P28-V338 HydrophobicContact CB-CG2 3.92Å; P28-V338 HydrophobicContact CG-CG2 3.98Å; Y332-V338 HydrophobicContact CD1-CG1 4.08Å; Y332-V338 HydrophobicContact CD2-CG2 4.16Å; Y332-V338 HydrophobicContact CE1-CG1 3.66Å; Y332-V338 HydrophobicContact CE1-CG2 4.15Å; Y332-V338 HydrophobicContact CE2-CG2 3.77Å; Y332-V338 VanDerWaalsContact O-CB 3.31Å; Y332-V338 WeakPolarHBondContact O-CB 3.32Å; Y332-V338 WeakPolarHBondContact O-CG2 3.4Å; L333-V338 HydrophobicContact CD2-CG1 4.37Å; N335-V338 HydrophobicContact CB-CB 4.1Å; N335-V338 HydrophobicContact CB-CG2 3.91Å; N335-V338 WeakPolarHBondContact O-CA 3.13Å; N335-V338 WeakPolarHBondContact O-CB 3.42Å; N335-V338 PolarHBondContact O-N 3.3Å; V338-K340 PolarHBondContact O-N 2.72Å; V338-A341 WeakPolarHBondContact O-CB 3.5Å; V338-A341 PolarHBondContact O-N 3.49Å; V338-L342 HydrophobicContact CG1-CD1 3.83Å; V338-L342 HydrophobicContact CG1-CG 4.26Å; V338-L342 WeakPolarHBondContact O-CG 3.14Å; V338-L342 PolarHBondContact O-N 2.95Å
339K98.8Very high97.8Very high38 Ų3854.5 Ų54.517%0.16529%0.292CS..Hα-helixtrans-53.2-42.8173.9-70.8-163.3-174.2-1670112F123 L333 N334 N335 L342 H343 I344 D350F123-K339 HydrophobicContact CE1-CD 4.3Å; F123-K339 HydrophobicContact CE1-CG 4.28Å; F123-K339 HydrophobicContact CZ-CG 4.27Å; L333-K339 VanDerWaalsContact O-CG 3.25Å; L333-K339 WeakPolarHBondContact O-CG 3.5Å; N334-K339 VanDerWaalsContact OD1-CE 3.3Å; N334-K339 WeakPolarHBondContact OD1-CE 3.24Å; N334-K339 PolarHBondContact OD1-NZ 3.43Å; N335-K339 PolarHBondContact O-N 3.13Å; K339-L342 PolarHBondContact O-N 3.5Å; K339-H343 PolarHBondContact O-N 3.33Å; K339-I344 HydrophobicContact CB-CB 4.05Å; K339-I344 HydrophobicContact CB-CG1 4.08Å; K339-I344 HydrophobicContact CD-CG2 4.45Å; K339-I344 HydrophobicContact CG-CB 4.42Å; K339-I344 HydrophobicContact CG-CG1 4.3Å; K339-I344 WeakPolarHBondContact O-CB 3.4Å; K339-I344 WeakPolarHBondContact O-CG1 3.29Å; K339-I344 PolarHBondContact O-N 3.38Å; K339-D350 IonicContact NZ-OD1 3.46Å; K339-D350 PolarHBondContact NZ-OD1 3.41Å
340K98.6Very high97.7Very high165 Ų16560 Ų6072%0.71732%0.321SS*.Hα-helixtrans-64.7-42.9175.7-175.1177.9179.8-179.40112.6A336 V338 L342 H343A336-K340 WeakPolarHBondContact O-CB 3.42Å; A336-K340 PolarHBondContact O-N 3.03Å; V338-K340 PolarHBondContact O-N 2.72Å; K340-L342 VanDerWaalsContact C-N 3.27Å; K340-L342 PolarHBondContact O-N 3.07Å; K340-H343 PolarHBondContact O-N 3.31Å
341A98.6Very high97.8Very high16 Ų1659 Ų5913%0.13231%0.313CS..Hα-helixtrans-65.9-30.7178.800000112.8I24 F26 P28 Y337 V338 H343I24-A341 HydrophobicContact CG2-CB 4.47Å; F26-A341 WeakPolarHBondContact O-CB 3.4Å; P28-A341 HydrophobicContact CG-CB 4.47Å; Y337-A341 WeakPolarHBondContact O-CB 3.14Å; Y337-A341 PolarHBondContact O-N 3.45Å; V338-A341 WeakPolarHBondContact O-CB 3.5Å; V338-A341 PolarHBondContact O-N 3.49Å; A341-H343 VanDerWaalsContact C-N 3.33Å; A341-H343 PolarHBondContact O-CE1 2.55Å
342L98.8Very high97.7Very high0 Ų056 Ų560%030%0.303CS..THydrogen-bonded Turntrans-90.97.8177.4-59.6-179.6000113.5I24 L27 S40 W54 F123 L333 V338 K339 K340 I344I24-L342 HydrophobicContact CD1-CD2 3.54Å; I24-L342 HydrophobicContact CG1-CD2 4.16Å; L27-L342 HydrophobicContact CD1-CD2 4.03Å; S40-L342 PolarHBondContact OG-O 2.8Å; W54-L342 HydrophobicContact CD2-CD2 3.97Å; W54-L342 HydrophobicContact CE3-CD1 4.04Å; W54-L342 HydrophobicContact CE3-CD2 3.82Å; W54-L342 HydrophobicContact CH2-CD1 4.19Å; W54-L342 HydrophobicContact CH2-CD2 3.56Å; W54-L342 HydrophobicContact CH2-CG 4.46Å; W54-L342 HydrophobicContact CZ2-CD2 3.66Å; W54-L342 HydrophobicContact CZ3-CD1 3.62Å; W54-L342 HydrophobicContact CZ3-CD2 3.64Å; W54-L342 HydrophobicContact CZ3-CG 4.28Å; F123-L342 HydrophobicContact CE2-CD1 4.48Å; L333-L342 HydrophobicContact CD2-CD1 3.9Å; V338-L342 HydrophobicContact CG1-CD1 3.83Å; V338-L342 HydrophobicContact CG1-CG 4.26Å; V338-L342 WeakPolarHBondContact O-CG 3.14Å; V338-L342 PolarHBondContact O-N 2.95Å; K339-L342 PolarHBondContact O-N 3.5Å; K340-L342 VanDerWaalsContact C-N 3.27Å; K340-L342 PolarHBondContact O-N 3.07Å; L342-I344 HydrophobicContact CB-CD1 3.74Å; L342-I344 HydrophobicContact CB-CG1 3.88Å; L342-I344 PolarHBondContact O-N 3.3Å
343H98.6Very high97.6Very high69 Ų6956.2 Ų56.232%0.31930%0.304SS..THydrogen-bonded Turntrans54.534.8-179.9-44.1103.4000113.6D22 E23 S40 K339 K340 A341 S345D22-H343 VanDerWaalsContact C-CE1 3.45Å; D22-H343 PolarHBondContact O-CE1 2.85Å; D22-H343 VanDerWaalsContact O-CE1 3.3Å; D22-H343 PolarHBondContact O-ND1 3.13Å; E23-H343 PolarHBondContact O-CE1 2.76Å; S40-H343 PolarHBondContact O-ND1 2.93Å; K339-H343 PolarHBondContact O-N 3.33Å; K340-H343 PolarHBondContact O-N 3.31Å; A341-H343 VanDerWaalsContact C-N 3.33Å; A341-H343 PolarHBondContact O-CE1 2.55Å; H343-S345 PolarHBondContact O-N 3Å
344I98.7Very high97.5Very high23 Ų2356.4 Ų56.412%0.11831%0.305CS..  trans-65.2130.7-178-56.6-49.6000110.2H52 F123 K339 L342 A348H52-I344 VanDerWaalsContact CD2-CD1 3.5Å; H52-I344 WeakPolarHBondContact CD2-CD1 3.49Å; H52-I344 VanDerWaalsContact NE2-CD1 3.31Å; H52-I344 WeakPolarHBondContact NE2-CD1 3.37Å; F123-I344 HydrophobicContact CB-CD1 3.93Å; F123-I344 HydrophobicContact CB-CG2 4.27Å; F123-I344 HydrophobicContact CD1-CB 4.48Å; F123-I344 HydrophobicContact CD1-CD1 4.15Å; F123-I344 HydrophobicContact CD1-CG1 4.15Å; F123-I344 HydrophobicContact CD1-CG2 3.48Å; F123-I344 VanDerWaalsContact CD1-CG2 3.48Å; F123-I344 HydrophobicContact CD2-CD1 3.34Å; F123-I344 HydrophobicContact CD2-CG1 4Å; F123-I344 HydrophobicContact CE1-CD1 4.48Å; F123-I344 HydrophobicContact CE1-CG1 4.14Å; F123-I344 HydrophobicContact CE1-CG2 3.86Å; F123-I344 HydrophobicContact CE2-CD1 3.75Å; F123-I344 HydrophobicContact CE2-CG1 3.98Å; F123-I344 HydrophobicContact CG-CD1 3.55Å; F123-I344 HydrophobicContact CG-CG1 4.06Å; F123-I344 HydrophobicContact CG-CG2 3.92Å; F123-I344 HydrophobicContact CZ-CD1 4.29Å; F123-I344 HydrophobicContact CZ-CG1 4.04Å; K339-I344 HydrophobicContact CB-CB 4.05Å; K339-I344 HydrophobicContact CB-CG1 4.08Å; K339-I344 HydrophobicContact CD-CG2 4.45Å; K339-I344 HydrophobicContact CG-CB 4.42Å; K339-I344 HydrophobicContact CG-CG1 4.3Å; K339-I344 WeakPolarHBondContact O-CB 3.4Å; K339-I344 WeakPolarHBondContact O-CG1 3.29Å; K339-I344 PolarHBondContact O-N 3.38Å; L342-I344 HydrophobicContact CB-CD1 3.74Å; L342-I344 HydrophobicContact CB-CG1 3.88Å; L342-I344 PolarHBondContact O-N 3.3Å; I344-A348 HydrophobicContact CG2-CB 3.88Å
345S97.9Very high97.4Very high20 Ų2054.9 Ų54.914%0.1430%0.298CS..  trans-63.7141.1178.6179.30000110.7Y42 Y125 H343 D347 A348Y42-S345 PolarHBondContact OH-N 2.87Å; Y125-S345 PolarHBondContact OH-OG 2.78Å; Y125-S345 VanDerWaalsContact OH-OG 3.07Å; H343-S345 PolarHBondContact O-N 3Å; S345-D347 PolarHBondContact O-N 3.32Å; S345-D347 PolarHBondContact OG-N 3.08Å; S345-A348 WeakPolarHBondContact O-CB 3.04Å; S345-A348 PolarHBondContact O-N 2.46Å; S345-A348 VanDerWaalsContact O-N 3.12Å
346P96.1Very high97.2Very high128 Ų12852.8 Ų52.883%0.83129%0.289SS*.THydrogen-bonded Turntrans-63.6-17.2170.828.8-36.1000113.2
347D95.2Very high96.9Very high89 Ų8953.1 Ų53.148%0.47628%0.278SS..THydrogen-bonded Turntrans-83-14.4176.5-63-44.6000113Y125 S345Y125-D347 HydrophobicContact CD2-CB 4.03Å; Y125-D347 HydrophobicContact CE2-CB 3.66Å; S345-D347 PolarHBondContact O-N 3.32Å; S345-D347 PolarHBondContact OG-N 3.08Å
348A95.3Very high96.8Very high15 Ų1544.7 Ų44.712%0.12425%0.245CC..SBendtrans-70.3149.3176.300000111.4F123 Y125 I344 S345F123-A348 HydrophobicContact CB-CB 4.42Å; F123-A348 HydrophobicContact CD1-CB 4.49Å; F123-A348 WeakPolarHBondContact O-CB 3.23Å; Y125-A348 HydrophobicContact CD1-CB 4.13Å; I344-A348 HydrophobicContact CG2-CB 3.88Å; S345-A348 WeakPolarHBondContact O-CB 3.04Å; S345-A348 PolarHBondContact O-N 2.46Å; S345-A348 VanDerWaalsContact O-N 3.12Å
349L93.9Very high96.6Very high78 Ų7845 Ų4541%0.40825%0.246SC..PPolyproline II helixtrans-70.4167.7174.9-61.7176000111.2Y131 W351Y131-L349 HydrophobicContact CE2-CD1 4.07Å; L349-W351 PolarHBondContact O-N 2.92Å
350D96.1Very high96.2Very high120 Ų12044.9 Ų44.964%0.64225%0.248SC*.PPolyproline II helixtrans-61.9137.2161.7-77.3-24.4000109.4N334 K339 A352N334-D350 WeakPolarHBondContact OD1-CA 3.32Å; K339-D350 IonicContact NZ-OD1 3.46Å; K339-D350 PolarHBondContact NZ-OD1 3.41Å; D350-A352 PolarHBondContact O-N 3.47Å
351W98.3Very high95.9Very high6 Ų639.9 Ų39.92%0.02323%0.227CC..PPolyproline II helixtrans-66131.3-177.5-171.491000110S78 E116 F123 L333 N334 L349 I353S78-W351 PolarHBondContact OG-NE1 2.92Å; E116-W351 PolarHBondContact OE1-NE1 2.92Å; F123-W351 HydrophobicContact CD1-CB 4.24Å; F123-W351 AromaticContact CD2-CD1 3.83Å; F123-W351 HydrophobicContact CE1-CB 3.58Å; F123-W351 HydrophobicContact CE1-CG 4.34Å; F123-W351 HydrophobicContact CE2-CB 4.24Å; F123-W351 AromaticContact CE2-CD1 3.69Å; F123-W351 HydrophobicContact CE2-CG 4.21Å; F123-W351 HydrophobicContact CZ-CB 3.59Å; F123-W351 AromaticContact CZ-CD1 3.94Å; F123-W351 HydrophobicContact CZ-CG 4.04Å; L333-W351 HydrophobicContact CB-CB 4.07Å; L333-W351 HydrophobicContact CB-CD2 4.05Å; L333-W351 HydrophobicContact CB-CE3 4.31Å; L333-W351 HydrophobicContact CB-CG 3.93Å; L333-W351 HydrophobicContact CD1-CD2 3.42Å; L333-W351 VanDerWaalsContact CD1-CD2 3.42Å; L333-W351 HydrophobicContact CD1-CE3 3.89Å; L333-W351 HydrophobicContact CD1-CG 3.86Å; L333-W351 HydrophobicContact CD1-CH2 3.97Å; L333-W351 HydrophobicContact CD1-CZ2 3.52Å; L333-W351 HydrophobicContact CD1-CZ3 4.14Å; L333-W351 HydrophobicContact CG-CD2 4.38Å; N334-W351 PolarHBondContact ND2-O 3.19Å; N334-W351 PolarHBondContact OD1-N 3.05Å; L349-W351 PolarHBondContact O-N 2.92Å; W351-I353 VanDerWaalsContact CH2-CA 3.49Å; W351-I353 HydrophobicContact CH2-CB 3.78Å; W351-I353 HydrophobicContact CH2-CG1 4.25Å; W351-I353 HydrophobicContact CZ2-CB 4.49Å; W351-I353 HydrophobicContact CZ3-CB 4.15Å
352A96.7Very high95.7Very high40 Ų4039.7 Ų39.733%0.33122%0.223SC..  trans-129.5147.6165.500000108.2D350 C354D350-A352 PolarHBondContact O-N 3.47Å; A352-C354 PolarHBondContact O-N 2.59Å
353I96.6Very high95.6Very high7 Ų740.9 Ų40.94%0.03624%0.236CC..SBendtrans-55.2-39.4178.7-172.2169.2000111.7C77 S78 P321 W351C77-I353 CarbonylContact C-O 3.57Å; C77-I353 VanDerWaalsContact CA-O 3.27Å; C77-I353 WeakPolarHBondContact CA-O 3.16Å; S78-I353 PolarHBondContact N-O 2.84Å; P321-I353 HydrophobicContact CG-CD1 4.28Å; P321-I353 HydrophobicContact CG-CG2 4.22Å; W351-I353 VanDerWaalsContact CH2-CA 3.49Å; W351-I353 HydrophobicContact CH2-CB 3.78Å; W351-I353 HydrophobicContact CH2-CG1 4.25Å; W351-I353 HydrophobicContact CZ2-CB 4.49Å; W351-I353 HydrophobicContact CZ3-CB 4.15Å
354C97.4Very high95.5Very high4 Ų440.2 Ų40.23%0.02723%0.231CC..BIsolated β-bridgetrans-137.8138.1175-52.60000111.3G76 C77 L319 P321 A352 S356G76-C354 CarbonylContact O-C 3.52Å; G76-C354 VanDerWaalsContact O-CA 3.27Å; G76-C354 WeakPolarHBondContact O-CA 3.1Å; C77-C354 HydrophobicContact CB-CB 4.08Å; C77-C354 WeakPolarHBondContact CB-SG 3.48Å; C77-C354 WeakPolarHBondContact SG-CB 3.49Å; C77-C354 CovalentContact SG-SG 2.04Å; C77-C354 PolarHBondContact SG-SG 2.81Å; L319-C354 HydrophobicContact CB-CB 4.37Å; L319-C354 HydrophobicContact CD2-CB 3.91Å; L319-C354 HydrophobicContact CG-CB 4.09Å; P321-C354 WeakPolarHBondContact CG-SG 3.26Å; A352-C354 PolarHBondContact O-N 2.59Å; C354-S356 PolarHBondContact O-N 2.99Å
355S96.4Very high95.5Very high15 Ų1543.7 Ų43.711%0.10525%0.249CC..  trans-81.9111.9174.81800000110.2G76 G120 E357 V358 N359G76-S355 PolarHBondContact O-N 3.5Å; G120-S355 WeakPolarHBondContact O-CB 3.47Å; G120-S355 PolarHBondContact O-OG 3.04Å; S355-E357 PolarHBondContact O-N 2.59Å; S355-V358 PolarHBondContact O-N 2.97Å; S355-V358 WeakPolarHBondContact OG-CG2 3.37Å; S355-V358 PolarHBondContact OG-N 3.05Å; S355-N359 WeakPolarHBondContact O-CB 3.21Å; S355-N359 PolarHBondContact O-N 2.81Å
356S93.1Very high95.5Very high22 Ų2246 Ų4615%0.15426%0.255CS..Hα-helixtrans-62.2-36.3175.4560000111.8V317 C354 L360V317-S356 PolarHBondContact O-OG 3.36Å; V317-S356 VanDerWaalsContact O-OG 3.09Å; C354-S356 PolarHBondContact O-N 2.99Å; S356-L360 VanDerWaalsContact O-CB 3.22Å; S356-L360 WeakPolarHBondContact O-CB 3.22Å; S356-L360 WeakPolarHBondContact O-CD1 3.33Å; S356-L360 WeakPolarHBondContact O-CG 3.45Å; S356-L360 PolarHBondContact O-N 2.7Å
357E92.3Very high95.5Very high81 Ų8143.6 Ų43.638%0.37923%0.234SC..Hα-helixtrans-65.4-48.3-179.7-175.3172.6178.200111.3Y131 S355 M361Y131-E357 HydrophobicContact CD2-CG 4.35Å; Y131-E357 WeakPolarHBondContact CD2-OE2 3.44Å; S355-E357 PolarHBondContact O-N 2.59Å; E357-M361 HydrophobicContact CG-CE 3.28Å; E357-M361 WeakPolarHBondContact O-CB 3.38Å; E357-M361 WeakPolarHBondContact O-CG 3.24Å; E357-M361 PolarHBondContact O-N 3.19Å; E357-M361 VanDerWaalsContact O-N 3.15Å; E357-M361 WeakPolarHBondContact OE1-CE 3.44Å
358V95.8Very high95.6Very high0 Ų042.7 Ų42.70%023%0.229CC..Hα-helixtrans-58.5-53.6174.8172.40000109.8P118 V119 V121 S355 L360 M361 Y362P118-V358 HydrophobicContact CG-CG1 3.6Å; V119-V358 WeakPolarHBondContact O-CG2 3.32Å; V121-V358 HydrophobicContact CG2-CB 4.48Å; V121-V358 HydrophobicContact CG2-CG1 4.29Å; V121-V358 HydrophobicContact CG2-CG2 4.16Å; S355-V358 PolarHBondContact O-N 2.97Å; S355-V358 WeakPolarHBondContact OG-CG2 3.37Å; S355-V358 PolarHBondContact OG-N 3.05Å; V358-L360 PolarHBondContact O-N 3.02Å; V358-M361 PolarHBondContact O-N 2.92Å; V358-Y362 HydrophobicContact CG1-CD2 4.14Å; V358-Y362 WeakPolarHBondContact O-CA 3.3Å; V358-Y362 VanDerWaalsContact O-CB 3.25Å; V358-Y362 WeakPolarHBondContact O-CB 3.42Å; V358-Y362 PolarHBondContact O-N 3.25Å
359N95.1Very high95.8Very high8 Ų842 Ų424%0.04322%0.223CC..Hα-helixtrans-60.4-46.4-174.1-177.5-92.3000113.2P75 M290 L319 S355 M361 Y362P75-N359 WeakPolarHBondContact O-CB 3.36Å; P75-N359 PolarHBondContact O-ND2 3.29Å; M290-N359 PolarHBondContact O-ND2 2.94Å; L319-N359 HydrophobicContact CD2-CB 3.38Å; L319-N359 VanDerWaalsContact CD2-CG 3.5Å; S355-N359 WeakPolarHBondContact O-CB 3.21Å; S355-N359 PolarHBondContact O-N 2.81Å; N359-M361 VanDerWaalsContact C-N 3.34Å; N359-M361 PolarHBondContact O-N 3.38Å; N359-Y362 WeakPolarHBondContact O-CB 3.25Å; N359-Y362 PolarHBondContact O-N 2.9Å
360L90.6Very high96Very high37 Ų3742.7 Ų42.719%0.19422%0.22CC..Hα-helixtrans-67.7-34.6-177.9-73174.1000112.3L307 M308 A311 V317 S356 V358L307-L360 HydrophobicContact CD2-CD2 3.52Å; L307-L360 HydrophobicContact CG-CD2 4.03Å; M308-L360 HydrophobicContact SD-CB 3.77Å; M308-L360 HydrophobicContact SD-CD2 4.21Å; M308-L360 HydrophobicContact SD-CG 4.49Å; M308-L360 VanDerWaalsContact SD-O 3.37Å; A311-L360 HydrophobicContact CB-CD1 3.87Å; V317-L360 HydrophobicContact CG1-CD1 4.18Å; S356-L360 VanDerWaalsContact O-CB 3.22Å; S356-L360 WeakPolarHBondContact O-CB 3.22Å; S356-L360 WeakPolarHBondContact O-CD1 3.33Å; S356-L360 WeakPolarHBondContact O-CG 3.45Å; S356-L360 PolarHBondContact O-N 2.7Å; V358-L360 PolarHBondContact O-N 3.02Å
361M91.6Very high96.1Very high60 Ų6045 Ų4530%0.29623%0.225SC..Hα-helixtrans-93.30-179.5-61.3-157.8-70.400113.9K132 M308 E357 V358 N359 G363K132-M361 HydrophobicContact CB-CB 4.41Å; K132-M361 HydrophobicContact CB-CE 4.28Å; K132-M361 HydrophobicContact CB-SD 4.44Å; K132-M361 HydrophobicContact CG-CB 4.39Å; M308-M361 HydrophobicContact CE-CG 4.4Å; E357-M361 HydrophobicContact CG-CE 3.28Å; E357-M361 WeakPolarHBondContact O-CB 3.38Å; E357-M361 WeakPolarHBondContact O-CG 3.24Å; E357-M361 PolarHBondContact O-N 3.19Å; E357-M361 VanDerWaalsContact O-N 3.15Å; E357-M361 WeakPolarHBondContact OE1-CE 3.44Å; V358-M361 PolarHBondContact O-N 2.92Å; N359-M361 VanDerWaalsContact C-N 3.34Å; N359-M361 PolarHBondContact O-N 3.38Å; M361-G363 PolarHBondContact O-N 3.28Å
362Y96.1Very high96.1Very high11 Ų1145.1 Ų45.14%0.04323%0.225CC..  trans-69.1121.3-172.5-160.7-87.6000112.7P75 T133 D135 V138 Y168 Y172 V358 N359 R364P75-Y362 HydrophobicContact CB-CD1 3.95Å; P75-Y362 HydrophobicContact CB-CD2 3.7Å; P75-Y362 HydrophobicContact CB-CE1 4.11Å; P75-Y362 HydrophobicContact CB-CE2 3.87Å; P75-Y362 HydrophobicContact CB-CG 3.74Å; P75-Y362 HydrophobicContact CG-CD1 3.68Å; P75-Y362 HydrophobicContact CG-CD2 4.08Å; P75-Y362 HydrophobicContact CG-CE1 4.24Å; P75-Y362 HydrophobicContact CG-CG 3.59Å; T133-Y362 HydrophobicContact CG2-CD2 3.81Å; T133-Y362 HydrophobicContact CG2-CE2 3.69Å; D135-Y362 WeakPolarHBondContact CA-OH 3.41Å; D135-Y362 PolarHBondContact N-OH 3.49Å; D135-Y362 WeakPolarHBondContact OD1-CE1 3.45Å; D135-Y362 PolarHBondContact OD1-OH 3.39Å; V138-Y362 HydrophobicContact CG2-CE2 3.78Å; Y168-Y362 AromaticContact CE1-CE1 3.9Å; Y168-Y362 HydrophobicContact CE1-CE1 3.9Å; Y172-Y362 WeakPolarHBondContact CE1-OH 3.25Å; V358-Y362 HydrophobicContact CG1-CD2 4.14Å; V358-Y362 WeakPolarHBondContact O-CA 3.3Å; V358-Y362 VanDerWaalsContact O-CB 3.25Å; V358-Y362 WeakPolarHBondContact O-CB 3.42Å; V358-Y362 PolarHBondContact O-N 3.25Å; N359-Y362 WeakPolarHBondContact O-CB 3.25Å; N359-Y362 PolarHBondContact O-N 2.9Å; Y362-R364 HydrophobicContact CD1-CG 4.01Å; Y362-R364 PolarHBondContact O-N 2.92Å
363G96.7Very high96.2Very high26 Ų2643.2 Ų43.227%0.26821%0.21SC..BIsolated β-bridgetrans-80.4101.8173.100000112.2T133 N134 D135 M361 L365T133-G363 PolarHBondContact O-N 2.86Å; N134-G363 WeakPolarHBondContact CA-O 3.36Å; N134-G363 WeakPolarHBondContact CB-O 3.33Å; D135-G363 PolarHBondContact N-O 3.24Å; M361-G363 PolarHBondContact O-N 3.28Å; G363-L365 PolarHBondContact O-N 3.1Å
364R96.1Very high96.3Very high55 Ų5545.9 Ų45.921%0.20822%0.223CC..  trans-79.5113.5172.9-53.3178.2171.266.1-5.9108.9Y168 Y200 M290 G291 N292 Y362Y168-R364 WeakPolarHBondContact OH-CG 3.47Å; Y200-R364 WeakPolarHBondContact OH-CD 3.37Å; M290-R364 PolarHBondContact O-NH2 2.66Å; G291-R364 PolarHBondContact O-NE 3.31Å; G291-R364 PolarHBondContact O-NH2 3.22Å; N292-R364 PolarHBondContact OD1-NE 3.04Å; N292-R364 VanDerWaalsContact OD1-NE 3.07Å; N292-R364 PolarHBondContact OD1-NH2 3.18Å; Y362-R364 HydrophobicContact CD1-CG 4.01Å; Y362-R364 PolarHBondContact O-N 2.92Å
365L97.8Very high96.3Very high96 Ų9648.6 Ų48.650%0.50324%0.235SC..  trans-108.7-34.7-175-60.6-179.7000112.3N134 D135 T136 G363N134-L365 HydrophobicContact CB-CD1 3.85Å; N134-L365 HydrophobicContact CB-CG 4.12Å; N134-L365 WeakPolarHBondContact OD1-CD1 3.45Å; D135-L365 HydrophobicContact CB-CB 4.43Å; D135-L365 PolarHBondContact OD2-N 3.1Å; T136-L365 HydrophobicContact CG2-CD1 3.9Å; G363-L365 PolarHBondContact O-N 3.1Å
366Y97.6Very high96.4Very high68 Ų6847.9 Ų47.927%0.26723%0.23SC..  trans-97.3113.4178.3-62.4-79.8000110.5D135 T136 T175 Y200 D368D135-Y366 HydrophobicContact CB-CD2 3.5Å; D135-Y366 HydrophobicContact CB-CE2 3.79Å; D135-Y366 PolarHBondContact OD2-N 2.87Å; D135-Y366 VanDerWaalsContact OD2-N 3.11Å; T136-Y366 HydrophobicContact CG2-CE2 3.92Å; T175-Y366 HydrophobicContact CG2-CD2 3.92Å; T175-Y366 HydrophobicContact CG2-CE2 3.87Å; T175-Y366 HydrophobicContact CG2-CG 4.49Å; Y200-Y366 WeakPolarHBondContact CE2-O 3.45Å; Y366-D368 VanDerWaalsContact C-N 3.34Å
367M97.4Very high96.6Very high78 Ų7847 Ų4738%0.38422%0.223SC..SBendtrans-85.4-11.7173.7-61.1-55.9-169.900113Y200 I295Y200-M367 HydrophobicContact CD2-CB 4.48Å; Y200-M367 WeakPolarHBondContact CD2-O 3.28Å; Y200-M367 HydrophobicContact CD2-SD 4.14Å; Y200-M367 HydrophobicContact CE2-SD 4.36Å; Y200-M367 PolarHBondContact N-O 2.66Å; Y200-M367 VanDerWaalsContact N-O 3.09Å; I295-M367 HydrophobicContact CD1-CE 3.74Å; I295-M367 HydrophobicContact CD1-SD 3.56Å; I295-M367 VanDerWaalsContact CD1-SD 3.56Å
368D97.5Very high96.8Very high69 Ų6947.2 Ų47.237%0.36923%0.234SC..BIsolated β-bridgetrans-153.8158.4168.37486.8000109.1S198 Y366 R370S198-D368 WeakPolarHBondContact O-CA 3.43Å; Y366-D368 VanDerWaalsContact C-N 3.34Å; D368-R370 WeakPolarHBondContact OD1-CB 3.26Å; D368-R370 PolarHBondContact OD1-N 3.43Å
369V98.6Very high96.7Very high0 Ų049 Ų490%025%0.248CC..  trans-112.922.1176.4-73.60000113.1I171 P174 S198 K371 Q372 Y373 F403I171-V369 HydrophobicContact CD1-CG1 3.72Å; P174-V369 HydrophobicContact CB-CB 4.16Å; P174-V369 HydrophobicContact CB-CG1 4.42Å; P174-V369 HydrophobicContact CB-CG2 4.5Å; P174-V369 HydrophobicContact CG-CB 4.38Å; P174-V369 HydrophobicContact CG-CG2 4.21Å; S198-V369 WeakPolarHBondContact O-CG2 3.48Å; S198-V369 PolarHBondContact O-N 2.86Å; V369-K371 PolarHBondContact O-N 3.32Å; V369-Q372 VanDerWaalsContact C-OE1 3.27Å; V369-Q372 HydrophobicContact CB-CB 4.44Å; V369-Q372 PolarHBondContact O-N 3.35Å; V369-Q372 VanDerWaalsContact O-N 3.14Å; V369-Q372 PolarHBondContact O-OE1 2.96Å; V369-Y373 HydrophobicContact CB-CD2 4.28Å; V369-Y373 HydrophobicContact CB-CE2 4.43Å; V369-Y373 HydrophobicContact CG2-CD2 3.85Å; V369-Y373 HydrophobicContact CG2-CE2 3.65Å; V369-Y373 WeakPolarHBondContact O-CD2 3.4Å; V369-Y373 PolarHBondContact O-N 3.25Å; V369-Y373 VanDerWaalsContact O-N 3.1Å; V369-F403 HydrophobicContact CG2-CE2 4.4Å; V369-F403 HydrophobicContact CG2-CZ 4.01Å
370R98.5Very high96.5Very high93 Ų9354.1 Ų54.135%0.35128%0.275SS..Hα-helixtrans-57.2-40.5-177.1177.7168.6-176.8-174.21.8111.8D368 Q372 Y373 L374 F403 S406 L407D368-R370 WeakPolarHBondContact OD1-CB 3.26Å; D368-R370 PolarHBondContact OD1-N 3.43Å; R370-Q372 PolarHBondContact O-N 2.87Å; R370-Y373 PolarHBondContact O-N 3.05Å; R370-L374 HydrophobicContact CG-CD1 3.93Å; R370-L374 HydrophobicContact CG-CG 4.33Å; R370-L374 WeakPolarHBondContact O-CB 3.41Å; R370-L374 VanDerWaalsContact O-CG 3.31Å; R370-L374 WeakPolarHBondContact O-CG 3.41Å; R370-L374 PolarHBondContact O-N 3.42Å; R370-F403 HydrophobicContact CB-CE2 4.08Å; R370-S406 PolarHBondContact NE-O 3.15Å; R370-S406 PolarHBondContact NH2-O 3.37Å; R370-L407 HydrophobicContact CB-CD2 4.43Å; R370-L407 HydrophobicContact CG-CD2 3.77Å
371K98.4Very high96.7Very high170 Ų17058.6 Ų58.674%0.73929%0.293SS*.Hα-helixtrans-63.1-42.1-179.9-67.4-177.1-177.6174.10111.8V369 L374 K375V369-K371 PolarHBondContact O-N 3.32Å; K371-L374 PolarHBondContact O-N 3Å; K371-K375 WeakPolarHBondContact O-CB 3.45Å; K371-K375 PolarHBondContact O-N 2.8Å
372Q98.6Very high97Very high8 Ų856.1 Ų56.14%0.03728%0.28CS..Hα-helixtrans-65.4-46.6179.6-68.8764.200110.7P174 T175 V369 R370 K375 L376P174-Q372 HydrophobicContact CB-CB 3.72Å; P174-Q372 HydrophobicContact CB-CG 4.45Å; T175-Q372 HydrophobicContact CG2-CG 4.22Å; V369-Q372 VanDerWaalsContact C-OE1 3.27Å; V369-Q372 HydrophobicContact CB-CB 4.44Å; V369-Q372 PolarHBondContact O-N 3.35Å; V369-Q372 VanDerWaalsContact O-N 3.14Å; V369-Q372 PolarHBondContact O-OE1 2.96Å; R370-Q372 PolarHBondContact O-N 2.87Å; Q372-K375 PolarHBondContact O-N 3.37Å; Q372-L376 WeakPolarHBondContact O-CG 3.12Å; Q372-L376 PolarHBondContact O-N 2.69Å
373Y98.6Very high97.1Very high0 Ų058 Ų580%029%0.287CS..Hα-helixtrans-61.4-46.7175.1-84.9-88.5000112.2P174 V369 R370 K375 L376 L377 V384 V386 F403 L407 I438P174-Y373 HydrophobicContact CB-CD2 4.14Å; P174-Y373 HydrophobicContact CB-CE2 3.97Å; P174-Y373 HydrophobicContact CG-CD2 4.05Å; P174-Y373 HydrophobicContact CG-CE2 3.37Å; V369-Y373 HydrophobicContact CB-CD2 4.28Å; V369-Y373 HydrophobicContact CB-CE2 4.43Å; V369-Y373 HydrophobicContact CG2-CD2 3.85Å; V369-Y373 HydrophobicContact CG2-CE2 3.65Å; V369-Y373 WeakPolarHBondContact O-CD2 3.4Å; V369-Y373 PolarHBondContact O-N 3.25Å; V369-Y373 VanDerWaalsContact O-N 3.1Å; R370-Y373 PolarHBondContact O-N 3.05Å; Y373-K375 VanDerWaalsContact C-N 3.29Å; Y373-K375 PolarHBondContact O-N 3.29Å; Y373-L376 PolarHBondContact O-N 3.45Å; Y373-L377 WeakPolarHBondContact O-CB 3.27Å; Y373-L377 WeakPolarHBondContact O-CG 3.46Å; Y373-L377 PolarHBondContact O-N 3.01Å; Y373-V384 HydrophobicContact CD1-CG1 3.93Å; Y373-V384 HydrophobicContact CE1-CG1 3.59Å; Y373-V386 HydrophobicContact CE1-CG2 4Å; Y373-F403 HydrophobicContact CD1-CE1 4.43Å; Y373-F403 AromaticContact CD2-CE1 3.51Å; Y373-F403 HydrophobicContact CD2-CE1 3.51Å; Y373-F403 AromaticContact CD2-CZ 3.46Å; Y373-F403 HydrophobicContact CD2-CZ 3.46Å; Y373-F403 VanDerWaalsContact CD2-CZ 3.46Å; Y373-F403 AromaticContact CE2-CE1 3.6Å; Y373-F403 HydrophobicContact CE2-CE1 3.6Å; Y373-F403 AromaticContact CE2-CZ 3.87Å; Y373-F403 HydrophobicContact CE2-CZ 3.87Å; Y373-F403 AromaticContact CG-CE1 3.93Å; Y373-F403 HydrophobicContact CG-CE1 3.93Å; Y373-F403 HydrophobicContact CG-CZ 4.07Å; Y373-L407 HydrophobicContact CD1-CD1 4.41Å; Y373-L407 HydrophobicContact CG-CD1 4.38Å; Y373-I438 HydrophobicContact CD1-CD1 4.02Å; Y373-I438 HydrophobicContact CE1-CD1 4.2Å
374L98.4Very high97.2Very high62 Ų6256.8 Ų56.833%0.32528%0.275SS..Hα-helixtrans-60.9-37.9177.7-71.6174.6000112.3R370 K371 L377 S378 L407R370-L374 HydrophobicContact CG-CD1 3.93Å; R370-L374 HydrophobicContact CG-CG 4.33Å; R370-L374 WeakPolarHBondContact O-CB 3.41Å; R370-L374 VanDerWaalsContact O-CG 3.31Å; R370-L374 WeakPolarHBondContact O-CG 3.41Å; R370-L374 PolarHBondContact O-N 3.42Å; K371-L374 PolarHBondContact O-N 3Å; L374-L377 PolarHBondContact O-N 3.42Å; L374-S378 WeakPolarHBondContact O-CB 3.5Å; L374-S378 PolarHBondContact O-N 2.98Å; L374-L407 HydrophobicContact CD2-CB 4.35Å; L374-L407 HydrophobicContact CD2-CD2 4.44Å; L374-L407 HydrophobicContact CG-CD2 4.37Å
375K97.9Very high97.3Very high61 Ų6154.2 Ų54.227%0.26527%0.265SS..Hα-helixtrans-63.6-47.9174.7-172.2173.4170.6177.40111.4E178 M181 E182 K371 Q372 Y373 L377 S378E178-K375 HydrophobicContact CG-CD 3.89Å; E178-K375 WeakPolarHBondContact OE1-CD 3.21Å; E178-K375 IonicContact OE1-NZ 3.43Å; E178-K375 PolarHBondContact OE1-NZ 2.84Å; M181-K375 HydrophobicContact CE-CG 4.04Å; M181-K375 HydrophobicContact SD-CD 4.33Å; M181-K375 HydrophobicContact SD-CG 3.92Å; E182-K375 WeakPolarHBondContact OE1-CE 3.33Å; E182-K375 IonicContact OE1-NZ 3.63Å; E182-K375 PolarHBondContact OE1-NZ 2.97Å; K371-K375 WeakPolarHBondContact O-CB 3.45Å; K371-K375 PolarHBondContact O-N 2.8Å; Q372-K375 PolarHBondContact O-N 3.37Å; Y373-K375 VanDerWaalsContact C-N 3.29Å; Y373-K375 PolarHBondContact O-N 3.29Å; K375-L377 VanDerWaalsContact C-N 3.35Å; K375-L377 PolarHBondContact O-N 3.42Å; K375-S378 PolarHBondContact O-N 2.95Å; K375-S378 PolarHBondContact O-OG 3.48Å
376L97.1Very high97.4Very high1 Ų149.6 Ų49.61%0.00524%0.241CC..Hα-helixtrans-57.6-47.1175-70.8165.8000111.9A177 M181 V191 Q372 Y373 S378 A379 Y382A177-L376 HydrophobicContact CB-CD1 3.82Å; A177-L376 HydrophobicContact CB-CD2 3.7Å; A177-L376 HydrophobicContact CB-CG 4.33Å; M181-L376 HydrophobicContact CB-CD2 4.43Å; M181-L376 HydrophobicContact SD-CD2 3.71Å; M181-L376 HydrophobicContact SD-CG 4.3Å; V191-L376 HydrophobicContact CG2-CD1 4.44Å; Q372-L376 WeakPolarHBondContact O-CG 3.12Å; Q372-L376 PolarHBondContact O-N 2.69Å; Y373-L376 PolarHBondContact O-N 3.45Å; L376-S378 VanDerWaalsContact C-N 3.35Å; L376-S378 PolarHBondContact O-N 3.01Å; L376-A379 WeakPolarHBondContact O-CB 3.36Å; L376-A379 PolarHBondContact O-N 3.04Å; L376-Y382 HydrophobicContact CD2-CD2 4.04Å; L376-Y382 HydrophobicContact CD2-CE2 4.26Å; L376-Y382 WeakPolarHBondContact O-CD2 3.31Å
377L97.4Very high97.5Very high2 Ų246.4 Ų46.41%0.0123%0.229CC..Hα-helixtrans-68.1-34.2-177-65.9168.9000112.5Y373 L374 K375 A379 L380 V384 L407 Q409 N437 I438Y373-L377 WeakPolarHBondContact O-CB 3.27Å; Y373-L377 WeakPolarHBondContact O-CG 3.46Å; Y373-L377 PolarHBondContact O-N 3.01Å; L374-L377 PolarHBondContact O-N 3.42Å; K375-L377 VanDerWaalsContact C-N 3.35Å; K375-L377 PolarHBondContact O-N 3.42Å; L377-A379 PolarHBondContact O-N 2.64Å; L377-A379 VanDerWaalsContact O-N 3.14Å; L377-L380 WeakPolarHBondContact O-CD2 3.35Å; L377-L380 PolarHBondContact O-N 3.43Å; L377-V384 HydrophobicContact CD2-CB 4.37Å; L377-V384 HydrophobicContact CD2-CG2 3.94Å; L377-L407 HydrophobicContact CD1-CD1 3.87Å; L377-Q409 HydrophobicContact CD1-CG 3.87Å; L377-N437 HydrophobicContact CD2-CB 4.06Å; L377-I438 HydrophobicContact CD1-CB 4.48Å; L377-I438 HydrophobicContact CD1-CG2 4.16Å; L377-I438 HydrophobicContact CD2-CB 3.83Å; L377-I438 HydrophobicContact CD2-CG2 4.11Å
378S96.3Very high97.5Very high87 Ų8742.7 Ų42.761%0.60821%0.21SC*.Hα-helixtrans-62.1-19.9175.7730000114.3L374 K375 L376 L380L374-S378 WeakPolarHBondContact O-CB 3.5Å; L374-S378 PolarHBondContact O-N 2.98Å; K375-S378 PolarHBondContact O-N 2.95Å; K375-S378 PolarHBondContact O-OG 3.48Å; L376-S378 VanDerWaalsContact C-N 3.35Å; L376-S378 PolarHBondContact O-N 3.01Å; S378-L380 VanDerWaalsContact C-N 3.25Å; S378-L380 PolarHBondContact O-N 3.42Å
379A94.3Very high97.6Very high36 Ų3639.4 Ų39.430%0.29819%0.193SC..THydrogen-bonded Turntrans-75.8-15.1174.800000113M181 L376 L377 K381 Y382M181-A379 HydrophobicContact CE-CB 4.18Å; L376-A379 WeakPolarHBondContact O-CB 3.36Å; L376-A379 PolarHBondContact O-N 3.04Å; L377-A379 PolarHBondContact O-N 2.64Å; L377-A379 VanDerWaalsContact O-N 3.14Å; A379-K381 HydrophobicContact CB-CG 4.3Å; A379-K381 PolarHBondContact O-N 3.12Å; A379-Y382 HydrophobicContact CB-CD2 3.93Å; A379-Y382 HydrophobicContact CB-CE2 3.58Å
380L91.4Very high97.6Very high116 Ų11641 Ų4161%0.60720%0.201SC*.SBendtrans54.914176.3-59.4174.9000116.7L377 S378 N437L377-L380 WeakPolarHBondContact O-CD2 3.35Å; L377-L380 PolarHBondContact O-N 3.43Å; S378-L380 VanDerWaalsContact C-N 3.25Å; S378-L380 PolarHBondContact O-N 3.42Å; L380-N437 VanDerWaalsContact CA-ND2 3.33Å; L380-N437 WeakPolarHBondContact CA-ND2 3.17Å; L380-N437 PolarHBondContact O-ND2 2.94Å
381K94.8Very high97.6Very high132 Ų13237 Ų3757%0.57419%0.187SC*.  trans-122.4-11.7-175.569.9178.6-175.4172.80114.7A379A379-K381 HydrophobicContact CB-CG 4.3Å; A379-K381 PolarHBondContact O-N 3.12Å
382Y97.9Very high97.6Very high7 Ų728.9 Ų28.93%0.02715%0.152CC..  trans-97.5132.3-177.8-53.8-55.1000110.5M181 L188 Q189 L376 A379M181-Y382 HydrophobicContact CB-CE2 3.77Å; M181-Y382 VanDerWaalsContact CB-OH 3.26Å; M181-Y382 WeakPolarHBondContact CB-OH 3.45Å; M181-Y382 HydrophobicContact CE-CE2 4.07Å; L188-Y382 HydrophobicContact CB-CD1 4.43Å; L188-Y382 HydrophobicContact CB-CE1 3.92Å; L188-Y382 HydrophobicContact CD2-CD1 4.1Å; L188-Y382 HydrophobicContact CD2-CE1 3.81Å; L188-Y382 HydrophobicContact CD2-CE2 4.5Å; L188-Y382 HydrophobicContact CG-CD1 3.91Å; L188-Y382 HydrophobicContact CG-CE1 3.78Å; L188-Y382 WeakPolarHBondContact O-CD1 3.41Å; L188-Y382 VanDerWaalsContact O-CE1 3.27Å; L188-Y382 WeakPolarHBondContact O-CE1 3.44Å; Q189-Y382 WeakPolarHBondContact O-CA 3.36Å; L376-Y382 HydrophobicContact CD2-CD2 4.04Å; L376-Y382 HydrophobicContact CD2-CE2 4.26Å; L376-Y382 WeakPolarHBondContact O-CD2 3.31Å; A379-Y382 HydrophobicContact CB-CD2 3.93Å; A379-Y382 HydrophobicContact CB-CE2 3.58Å
383R98.1Very high97.6Very high50 Ų5028.5 Ų28.519%0.18915%0.15CC..EExtended strand (participates in β ladder)trans-83119.1172.3-174176176.3121.2-7.7109.6Q189 G190 V191 R464 F465 K468 Q469 Y471Q189-R383 PolarHBondContact O-N 2.98Å; G190-R383 CarbonylContact C-O 3.45Å; G190-R383 WeakPolarHBondContact CA-O 3.47Å; V191-R383 PolarHBondContact N-O 3.36Å; R383-R464 PolarHBondContact NH2-O 2.92Å; R383-F465 HydrophobicContact CB-CE2 4.36Å; R383-F465 WeakPolarHBondContact CD-O 3.42Å; R383-F465 HydrophobicContact CG-CD2 4.11Å; R383-F465 HydrophobicContact CG-CE2 3.92Å; R383-F465 PolarHBondContact NE-O 3.02Å; R383-F465 WeakPolarHBondContact O-CE2 3.3Å; R383-K468 PolarHBondContact NH1-O 3.46Å; R383-Q469 PolarHBondContact NH2-O 3.5Å; R383-Y471 PolarHBondContact NE-OH 3.36Å; R383-Y471 VanDerWaalsContact NH2-CZ 3.27Å; R383-Y471 PolarHBondContact NH2-OH 3.45Å
384V98.8Very high97.6Very high1 Ų128.9 Ų28.91%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-111.6134.8-178.2-1730000110.5V191 Y373 L377 N437 I438 A439V191-V384 CarbonylContact O-C 3.49Å; V191-V384 WeakPolarHBondContact O-CA 3.36Å; Y373-V384 HydrophobicContact CD1-CG1 3.93Å; Y373-V384 HydrophobicContact CE1-CG1 3.59Å; L377-V384 HydrophobicContact CD2-CB 4.37Å; L377-V384 HydrophobicContact CD2-CG2 3.94Å; V384-N437 WeakPolarHBondContact CB-O 3.49Å; V384-N437 PolarHBondContact N-O 2.92Å; V384-I438 HydrophobicContact CB-CB 4.05Å; V384-I438 HydrophobicContact CB-CD1 4.41Å; V384-I438 HydrophobicContact CB-CG1 4.02Å; V384-I438 HydrophobicContact CG1-CB 4.41Å; V384-I438 HydrophobicContact CG1-CD1 3.83Å; V384-I438 HydrophobicContact CG1-CG1 3.88Å; V384-I438 WeakPolarHBondContact O-CA 3.33Å; V384-A439 PolarHBondContact O-N 3.23Å
385L98.9Very high97.6Very high1 Ų126.1 Ų26.11%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-130.4126.6175.1175.663.2000109.9V191 A192 V193 Y387 A439 L441 M461 F465 Y471V191-L385 PolarHBondContact O-N 3.32Å; A192-L385 CarbonylContact C-O 3.48Å; A192-L385 VanDerWaalsContact CA-O 3.23Å; A192-L385 WeakPolarHBondContact CA-O 3.37Å; A192-L385 HydrophobicContact CB-CB 4.02Å; A192-L385 HydrophobicContact CB-CD2 4.32Å; A192-L385 HydrophobicContact CB-CG 4.48Å; V193-L385 PolarHBondContact N-O 3.42Å; L385-Y387 HydrophobicContact CD2-CD1 3.99Å; L385-Y387 HydrophobicContact CG-CD1 4.05Å; L385-A439 HydrophobicContact CD1-CB 4.19Å; L385-L441 HydrophobicContact CD1-CB 4.03Å; L385-M461 HydrophobicContact CD2-CG 4.06Å; L385-M461 HydrophobicContact CD2-SD 4.14Å; L385-F465 HydrophobicContact CB-CD2 3.74Å; L385-F465 HydrophobicContact CB-CE2 3.81Å; L385-F465 HydrophobicContact CD2-CB 4.17Å; L385-F465 HydrophobicContact CD2-CD2 4.06Å; L385-F465 HydrophobicContact CD2-CG 4.22Å; L385-Y471 HydrophobicContact CD1-CE1 4.22Å; L385-Y471 HydrophobicContact CD1-CE2 4.37Å; L385-Y471 HydrophobicContact CD2-CE1 4.08Å
386V98.9Very high97.6Very high0 Ų023.2 Ų23.20%013%0.127CC..EExtended strand (participates in β ladder)trans-109.8121.5163.2-179.20000106.3Y373 D400 V404 I438 A439 F440 L441Y373-V386 HydrophobicContact CE1-CG2 4Å; V386-D400 HydrophobicContact CG1-CB 3.85Å; V386-V404 HydrophobicContact CB-CG2 3.91Å; V386-V404 HydrophobicContact CG1-CG2 4.31Å; V386-V404 HydrophobicContact CG2-CG2 3.8Å; V386-I438 HydrophobicContact CG2-CD1 4.27Å; V386-A439 PolarHBondContact N-O 3.46Å; V386-F440 HydrophobicContact CB-CD2 4.37Å; V386-F440 HydrophobicContact CG1-CD2 4.17Å; V386-F440 CarbonylContact O-C 3.54Å; V386-F440 WeakPolarHBondContact O-CA 3.38Å; V386-L441 PolarHBondContact O-N 2.78Å
387Y98.9Very high97.7Very high1 Ų124.8 Ų24.80%0.00413%0.134CC..EExtended strand (participates in β ladder)trans-128.7143.2179.369.4-87.2000111.6A192 V193 G194 N195 L385 L441 V450 M461A192-Y387 HydrophobicContact CB-CE1 4.32Å; V193-Y387 VanDerWaalsContact C-CE1 3.47Å; V193-Y387 VanDerWaalsContact O-CD1 3.3Å; V193-Y387 WeakPolarHBondContact O-CD1 3.49Å; V193-Y387 PolarHBondContact O-N 3.37Å; G194-Y387 CarbonylContact C-O 3.53Å; G194-Y387 VanDerWaalsContact CA-CE1 3.49Å; G194-Y387 VanDerWaalsContact CA-O 3.23Å; G194-Y387 WeakPolarHBondContact CA-O 3.25Å; G194-Y387 VanDerWaalsContact N-CE1 3.31Å; N195-Y387 PolarHBondContact N-O 2.69Å; L385-Y387 HydrophobicContact CD2-CD1 3.99Å; L385-Y387 HydrophobicContact CG-CD1 4.05Å; Y387-L441 CarbonylContact C-O 3.58Å; Y387-L441 WeakPolarHBondContact CA-O 3.31Å; Y387-V450 HydrophobicContact CD2-CB 4.4Å; Y387-V450 HydrophobicContact CD2-CG1 4.34Å; Y387-V450 HydrophobicContact CD2-CG2 4.18Å; Y387-V450 HydrophobicContact CE2-CB 3.98Å; Y387-V450 HydrophobicContact CE2-CG1 4.21Å; Y387-V450 HydrophobicContact CE2-CG2 4.09Å; Y387-M461 HydrophobicContact CD1-CE 3.83Å; Y387-M461 HydrophobicContact CD1-SD 4.11Å; Y387-M461 HydrophobicContact CD2-CE 3.62Å; Y387-M461 HydrophobicContact CD2-SD 3.85Å; Y387-M461 HydrophobicContact CE1-CE 3.93Å; Y387-M461 HydrophobicContact CE2-CE 3.73Å; Y387-M461 HydrophobicContact CG-CE 3.67Å; Y387-M461 HydrophobicContact CG-SD 3.59Å; Y387-M461 VanDerWaalsContact CG-SD 3.59Å
388N98.9Very high97.8Very high0 Ų026.6 Ų26.60%014%0.142CC..EExtended strand (participates in β ladder)trans-138.4134.6-177.7-66.969.9000111.4N195 D390 C395 F397 D400 L441 T442 V443N195-N388 WeakPolarHBondContact CA-ND2 3.36Å; N195-N388 WeakPolarHBondContact OD1-CA 3.38Å; N388-D390 PolarHBondContact O-N 3.26Å; N388-C395 PolarHBondContact ND2-O 3.19Å; N388-F397 HydrophobicContact CB-CB 3.57Å; N388-D400 PolarHBondContact ND2-OD2 3.34Å; N388-D400 WeakPolarHBondContact OD1-CB 3.5Å; N388-D400 PolarHBondContact OD1-OD2 3.38Å; N388-L441 PolarHBondContact N-O 2.95Å; N388-T442 CarbonylContact O-C 3.52Å; N388-T442 VanDerWaalsContact O-CA 3.25Å; N388-T442 WeakPolarHBondContact O-CA 3.42Å; N388-V443 PolarHBondContact O-N 2.78Å
389G98.9Very high97.9Very high0 Ų022.6 Ų22.60%012%0.115CC..EExtended strand (participates in β ladder)trans-63129.215800000110.9N195 V391 S446 G447N195-G389 PolarHBondContact ND2-N 2.03Å; N195-G389 PolarHBondContact ND2-O 2.9Å; N195-G389 PolarHBondContact OD1-N 3.24Å; G389-V391 VanDerWaalsContact C-N 3.27Å; G389-V391 PolarHBondContact O-N 3.16Å; G389-S446 CarbonylContact C-O 3.49Å; G389-S446 WeakPolarHBondContact CA-O 3.37Å; G389-G447 WeakPolarHBondContact CA-O 3.25Å
390D98.8Very high98.1Very high32 Ų3221.1 Ų21.117%0.17110%0.102CC..THydrogen-bonded Turntrans-82.72.9-171.867.10.8000115N388 F397 V443 K444 G445 S446N388-D390 PolarHBondContact O-N 3.26Å; D390-F397 HydrophobicContact CB-CD1 3.82Å; D390-F397 HydrophobicContact CB-CE1 4.27Å; D390-F397 HydrophobicContact CB-CG 4.16Å; D390-V443 PolarHBondContact N-O 3.5Å; D390-K444 WeakPolarHBondContact OD1-CA 3.18Å; D390-K444 WeakPolarHBondContact OD2-CA 3.49Å; D390-G445 PolarHBondContact OD1-N 2.79Å; D390-S446 PolarHBondContact N-O 3.22Å; D390-S446 VanDerWaalsContact N-O 3.1Å
391V98.8Very high98.4Very high9 Ų916.8 Ų16.86%0.0558%0.079CC..THydrogen-bonded Turntrans-114.87.2174.9-45.30000113.5N265 L266 Y267 G389 S446N265-V391 HydrophobicContact CB-CG2 4.5Å; N265-V391 WeakPolarHBondContact OD1-CG2 3.35Å; L266-V391 WeakPolarHBondContact CB-O 3.36Å; L266-V391 PolarHBondContact N-O 3.18Å; Y267-V391 HydrophobicContact CD2-CB 3.66Å; Y267-V391 HydrophobicContact CD2-CG1 3.55Å; Y267-V391 HydrophobicContact CD2-CG2 4.12Å; Y267-V391 HydrophobicContact CE2-CB 3.75Å; Y267-V391 HydrophobicContact CE2-CG1 3.38Å; G389-V391 VanDerWaalsContact C-N 3.27Å; G389-V391 PolarHBondContact O-N 3.16Å; V391-S446 VanDerWaalsContact CG2-C 3.44Å; V391-S446 VanDerWaalsContact CG2-O 3.24Å; V391-S446 WeakPolarHBondContact CG2-O 3.49Å; V391-S446 PolarHBondContact N-O 3.29Å
392D98.7Very high98.6Very high0 Ų014.9 Ų14.90%07%0.068CC..  trans-77138.7172.6179.330.6000111.7N195 A394 C395 N396 H448N195-D392 WeakPolarHBondContact ND2-CB 3.41Å; N195-D392 PolarHBondContact ND2-OD2 3.15Å; D392-A394 WeakPolarHBondContact OD1-CB 3.4Å; D392-A394 PolarHBondContact OD1-N 2.75Å; D392-C395 VanDerWaalsContact OD2-C 3.23Å; D392-C395 WeakPolarHBondContact OD2-CA 3.05Å; D392-C395 PolarHBondContact OD2-N 2.85Å; D392-C395 VanDerWaalsContact OD2-O 3.06Å; D392-N396 WeakPolarHBondContact O-CA 3.36Å; D392-N396 WeakPolarHBondContact O-CB 3.1Å; D392-H448 HydrophobicContact CB-CB 4.44Å; D392-H448 VanDerWaalsContact CG-ND1 3.3Å; D392-H448 IonicContact OD1-CG 3.84Å; D392-H448 IonicContact OD1-ND1 3.76Å; D392-H448 PolarHBondContact OD1-ND1 3.35Å; D392-H448 IonicContact OD2-CE1 3.6Å; D392-H448 IonicContact OD2-CG 3.94Å; D392-H448 IonicContact OD2-ND1 3.84Å; D392-H448 PolarHBondContact OD2-ND1 3.22Å
393M98.3Very high98.7Very high0 Ų014.7 Ų14.70%07%0.067CC..SBendtrans-107.6-18.3173.5-63.4-170.2-64.900112.9L207 F210 L216 L256 L261 I263 L266L207-M393 HydrophobicContact CD1-CB 3.83Å; L207-M393 HydrophobicContact CD1-CG 4.38Å; L207-M393 VanDerWaalsContact CD1-O 3.31Å; L207-M393 WeakPolarHBondContact CD1-O 3.43Å; F210-M393 HydrophobicContact CD1-CG 3.84Å; F210-M393 HydrophobicContact CD1-SD 4.3Å; F210-M393 HydrophobicContact CE1-CG 3.45Å; F210-M393 VanDerWaalsContact CE1-CG 3.45Å; F210-M393 HydrophobicContact CE1-SD 4.05Å; F210-M393 HydrophobicContact CZ-CG 4.22Å; L216-M393 HydrophobicContact CD1-CE 4.49Å; L216-M393 HydrophobicContact CD1-SD 3.59Å; L216-M393 VanDerWaalsContact CD1-SD 3.59Å; L256-M393 HydrophobicContact CD2-CE 4.47Å; L256-M393 HydrophobicContact CD2-SD 3.96Å; L261-M393 HydrophobicContact CB-CE 4.21Å; I263-M393 HydrophobicContact CG1-CB 3.83Å; I263-M393 WeakPolarHBondContact O-CA 3.24Å; I263-M393 WeakPolarHBondContact O-CB 3.4Å; I263-M393 PolarHBondContact O-N 2.04Å; L266-M393 HydrophobicContact CB-CE 4.39Å; L266-M393 HydrophobicContact CB-CG 4.49Å; L266-M393 HydrophobicContact CB-SD 4.39Å; L266-M393 HydrophobicContact CD1-CE 3.95Å; L266-M393 HydrophobicContact CD1-SD 4.01Å
394A97.3Very high98.7Very high9 Ų912.3 Ų12.37%0.0746%0.058CC..THydrogen-bonded Turntrans-70.8-45.4-178.900000111.7N203 I263 Y264 D392N203-A394 PolarHBondContact ND2-O 2.97Å; N203-A394 VanDerWaalsContact ND2-O 3.08Å; N203-A394 PolarHBondContact OD1-O 3.07Å; I263-A394 HydrophobicContact CG1-CB 4.33Å; I263-A394 PolarHBondContact O-N 3.25Å; Y264-A394 HydrophobicContact CD1-CB 3.68Å; Y264-A394 HydrophobicContact CE1-CB 3.67Å; D392-A394 WeakPolarHBondContact OD1-CB 3.4Å; D392-A394 PolarHBondContact OD1-N 2.75Å
395C98.4Very high98.7Very high4 Ų415.8 Ų15.83%0.0277%0.074CC..THydrogen-bonded Turntrans-136.169.5174.9-66.10000108.8N195 N203 N388 D392N195-C395 HydrophobicContact CB-CB 4.23Å; N195-C395 PolarHBondContact ND2-O 2.95Å; N195-C395 WeakPolarHBondContact O-CB 3.18Å; N195-C395 PolarHBondContact O-SG 3.35Å; N203-C395 WeakPolarHBondContact OD1-CA 3.48Å; N388-C395 PolarHBondContact ND2-O 3.19Å; D392-C395 VanDerWaalsContact OD2-C 3.23Å; D392-C395 WeakPolarHBondContact OD2-CA 3.05Å; D392-C395 PolarHBondContact OD2-N 2.85Å; D392-C395 VanDerWaalsContact OD2-O 3.06Å
396N98.8Very high98.7Very high0 Ų017.3 Ų17.30%09%0.085CC..  trans-63.9147.1-169.177.987.8000112.1S206 L207 F210 D392 M398 G399S206-N396 WeakPolarHBondContact CB-OD1 3.45Å; S206-N396 PolarHBondContact OG-ND2 2.89Å; S206-N396 PolarHBondContact OG-OD1 3.19Å; L207-N396 PolarHBondContact N-ND2 2.76Å; F210-N396 HydrophobicContact CD2-CB 3.97Å; F210-N396 HydrophobicContact CE2-CB 4.39Å; F210-N396 HydrophobicContact CG-CB 4.43Å; D392-N396 WeakPolarHBondContact O-CA 3.36Å; D392-N396 WeakPolarHBondContact O-CB 3.1Å; N396-M398 PolarHBondContact O-N 3.22Å; N396-M398 VanDerWaalsContact O-N 3.08Å; N396-M398 WeakPolarHBondContact OD1-CB 3.15Å; N396-M398 PolarHBondContact OD1-N 2.8Å; N396-M398 VanDerWaalsContact OD1-N 3.15Å; N396-G399 PolarHBondContact O-N 2.94Å; N396-G399 VanDerWaalsContact O-N 3.16Å; N396-G399 PolarHBondContact OD1-N 2.87Å
397F98.9Very high98.6Very high34 Ų3417.5 Ų17.515%0.1499%0.086CC..Hα-helixtrans-57.1-30.3-173.981.8-85.8000114.2F210 N388 D390 E401 F440 T442F210-F397 HydrophobicContact CD2-CE1 4.31Å; F210-F397 HydrophobicContact CE2-CD1 4.28Å; F210-F397 HydrophobicContact CE2-CE1 4.15Å; N388-F397 HydrophobicContact CB-CB 3.57Å; D390-F397 HydrophobicContact CB-CD1 3.82Å; D390-F397 HydrophobicContact CB-CE1 4.27Å; D390-F397 HydrophobicContact CB-CG 4.16Å; F397-E401 WeakPolarHBondContact O-CB 3.27Å; F397-E401 PolarHBondContact O-N 3.48Å; F397-F440 HydrophobicContact CB-CZ 4.21Å; F397-F440 HydrophobicContact CD2-CZ 4.34Å; F397-F440 VanDerWaalsContact O-CZ 3.23Å; F397-F440 WeakPolarHBondContact O-CZ 3.41Å; F397-T442 HydrophobicContact CB-CG2 4.14Å; F397-T442 HydrophobicContact CD2-CG2 3.74Å; F397-T442 HydrophobicContact CG-CG2 4.15Å
398M98.9Very high98.5Very high39 Ų3925.1 Ų25.119%0.19212%0.122CC..Hα-helixtrans-71.1-37.5-176.2-174.4-173.8-54.400111.1N396 E401 W402N396-M398 PolarHBondContact O-N 3.22Å; N396-M398 VanDerWaalsContact O-N 3.08Å; N396-M398 WeakPolarHBondContact OD1-CB 3.15Å; N396-M398 PolarHBondContact OD1-N 2.8Å; N396-M398 VanDerWaalsContact OD1-N 3.15Å; M398-E401 PolarHBondContact O-N 3.41Å; M398-W402 HydrophobicContact CG-CD2 4.16Å; M398-W402 VanDerWaalsContact CG-CE2 3.48Å; M398-W402 HydrophobicContact CG-CH2 4.35Å; M398-W402 HydrophobicContact CG-CZ2 3.61Å; M398-W402 WeakPolarHBondContact O-CB 3.31Å; M398-W402 VanDerWaalsContact O-CD1 3.28Å; M398-W402 PolarHBondContact O-N 3.39Å; M398-W402 HydrophobicContact SD-CH2 3.88Å; M398-W402 HydrophobicContact SD-CZ2 3.32Å; M398-W402 WeakPolarHBondContact SD-CZ2 3.35Å
399G98.8Very high98.4Very high3 Ų327.3 Ų27.33%0.03113%0.132CC..Hα-helixtrans-62-44.6175.300000112.5S206 N396 W402 F403S206-G399 WeakPolarHBondContact OG-CA 3.5Å; S206-G399 PolarHBondContact OG-N 3.45Å; N396-G399 PolarHBondContact O-N 2.94Å; N396-G399 VanDerWaalsContact O-N 3.16Å; N396-G399 PolarHBondContact OD1-N 2.87Å; G399-W402 PolarHBondContact O-N 3.3Å; G399-F403 WeakPolarHBondContact O-CB 3.29Å; G399-F403 PolarHBondContact O-N 3.28Å
400D98.9Very high98.3Very high5 Ų533 Ų333%0.02716%0.159CC..Hα-helixtrans-73.6-34.2176.9-85.6-36.9000113G196 S198 V386 N388 F403 V404 F440G196-D400 PolarHBondContact N-OD2 2.96Å; G196-D400 VanDerWaalsContact N-OD2 3.12Å; S198-D400 WeakPolarHBondContact CB-OD1 3.18Å; S198-D400 PolarHBondContact OG-OD1 3.04Å; V386-D400 HydrophobicContact CG1-CB 3.85Å; N388-D400 PolarHBondContact ND2-OD2 3.34Å; N388-D400 WeakPolarHBondContact OD1-CB 3.5Å; N388-D400 PolarHBondContact OD1-OD2 3.38Å; D400-F403 WeakPolarHBondContact O-CB 3.42Å; D400-F403 PolarHBondContact O-N 2.97Å; D400-V404 WeakPolarHBondContact O-CG2 3.25Å; D400-V404 PolarHBondContact O-N 2.88Å; D400-F440 HydrophobicContact CB-CE2 4.01Å
401E98.9Very high98.2Very high26 Ų2634 Ų3412%0.12117%0.166CC..Hα-helixtrans-59.6-48.6170.7-167160.6-161.500109.8F397 M398 F403 V404 E405 R415 F440F397-E401 WeakPolarHBondContact O-CB 3.27Å; F397-E401 PolarHBondContact O-N 3.48Å; M398-E401 PolarHBondContact O-N 3.41Å; E401-F403 VanDerWaalsContact C-N 3.3Å; E401-F403 PolarHBondContact O-N 3.04Å; E401-V404 PolarHBondContact O-N 2.98Å; E401-E405 WeakPolarHBondContact O-CB 3.32Å; E401-E405 WeakPolarHBondContact O-CG 3.27Å; E401-E405 PolarHBondContact O-N 3.43Å; E401-R415 IonicContact OE1-CZ 2.93Å; E401-R415 IonicContact OE1-NE 2.62Å; E401-R415 PolarHBondContact OE1-NE 3.1Å; E401-R415 IonicContact OE1-NH2 2.73Å; E401-R415 IonicContact OE2-NH2 3.73Å; E401-F440 HydrophobicContact CB-CD1 3.86Å; E401-F440 HydrophobicContact CB-CD2 4.38Å; E401-F440 HydrophobicContact CB-CE1 3.43Å; E401-F440 VanDerWaalsContact CB-CE1 3.43Å; E401-F440 HydrophobicContact CB-CE2 4Å; E401-F440 HydrophobicContact CB-CG 4.32Å; E401-F440 HydrophobicContact CB-CZ 3.51Å; E401-F440 VanDerWaalsContact CD-CE1 3.42Å; E401-F440 HydrophobicContact CG-CD1 3.59Å; E401-F440 HydrophobicContact CG-CE1 3.48Å; E401-F440 VanDerWaalsContact CG-CE1 3.48Å; E401-F440 HydrophobicContact CG-CG 4.31Å; E401-F440 HydrophobicContact CG-CZ 4.13Å
402W98.8Very high98.1Very high92 Ų9238.5 Ų38.535%0.34819%0.186SC..Hα-helixtrans-61.3-38.4176-66.9-3.6000112.4L202 N205 Y209 M398 G399 S406L202-W402 HydrophobicContact CD1-CB 4.38Å; L202-W402 HydrophobicContact CD2-CB 4.47Å; L202-W402 HydrophobicContact CD2-CE3 4.4Å; N205-W402 HydrophobicContact CB-CZ3 4.2Å; Y209-W402 AromaticContact CD2-CH2 3.83Å; Y209-W402 HydrophobicContact CD2-CH2 3.83Å; Y209-W402 HydrophobicContact CE2-CH2 4.14Å; M398-W402 HydrophobicContact CG-CD2 4.16Å; M398-W402 VanDerWaalsContact CG-CE2 3.48Å; M398-W402 HydrophobicContact CG-CH2 4.35Å; M398-W402 HydrophobicContact CG-CZ2 3.61Å; M398-W402 WeakPolarHBondContact O-CB 3.31Å; M398-W402 VanDerWaalsContact O-CD1 3.28Å; M398-W402 PolarHBondContact O-N 3.39Å; M398-W402 HydrophobicContact SD-CH2 3.88Å; M398-W402 HydrophobicContact SD-CZ2 3.32Å; M398-W402 WeakPolarHBondContact SD-CZ2 3.35Å; G399-W402 PolarHBondContact O-N 3.3Å; W402-S406 WeakPolarHBondContact O-CB 3.06Å; W402-S406 PolarHBondContact O-N 3.34Å
403F98.9Very high98Very high3 Ų340.8 Ų40.81%0.01320%0.2CC..Hα-helixtrans-61-51.6176.2174.3-97.5000111.1S198 L202 V369 R370 Y373 G399 D400 E401 E405 S406 L407S198-F403 WeakPolarHBondContact O-CE2 3.45Å; L202-F403 HydrophobicContact CD1-CB 3.85Å; L202-F403 HydrophobicContact CD1-CD2 4.33Å; V369-F403 HydrophobicContact CG2-CE2 4.4Å; V369-F403 HydrophobicContact CG2-CZ 4.01Å; R370-F403 HydrophobicContact CB-CE2 4.08Å; Y373-F403 HydrophobicContact CD1-CE1 4.43Å; Y373-F403 AromaticContact CD2-CE1 3.51Å; Y373-F403 HydrophobicContact CD2-CE1 3.51Å; Y373-F403 AromaticContact CD2-CZ 3.46Å; Y373-F403 HydrophobicContact CD2-CZ 3.46Å; Y373-F403 VanDerWaalsContact CD2-CZ 3.46Å; Y373-F403 AromaticContact CE2-CE1 3.6Å; Y373-F403 HydrophobicContact CE2-CE1 3.6Å; Y373-F403 AromaticContact CE2-CZ 3.87Å; Y373-F403 HydrophobicContact CE2-CZ 3.87Å; Y373-F403 AromaticContact CG-CE1 3.93Å; Y373-F403 HydrophobicContact CG-CE1 3.93Å; Y373-F403 HydrophobicContact CG-CZ 4.07Å; G399-F403 WeakPolarHBondContact O-CB 3.29Å; G399-F403 PolarHBondContact O-N 3.28Å; D400-F403 WeakPolarHBondContact O-CB 3.42Å; D400-F403 PolarHBondContact O-N 2.97Å; E401-F403 VanDerWaalsContact C-N 3.3Å; E401-F403 PolarHBondContact O-N 3.04Å; F403-E405 PolarHBondContact O-N 3.19Å; F403-S406 WeakPolarHBondContact O-CB 3.35Å; F403-S406 PolarHBondContact O-N 3.25Å; F403-S406 VanDerWaalsContact O-N 3.11Å; F403-S406 PolarHBondContact O-OG 2.84Å; F403-L407 HydrophobicContact CE1-CD1 4.34Å; F403-L407 HydrophobicContact CE1-CD2 4.35Å; F403-L407 HydrophobicContact CZ-CD2 4.14Å; F403-L407 PolarHBondContact O-N 3.4Å
404V98.8Very high97.9Very high0 Ų047.4 Ų47.40%023%0.231CC..Hα-helixtrans-61.6-43.3179.51740000111.3V386 D400 E401 S406 L407 F435 I438 F440V386-V404 HydrophobicContact CB-CG2 3.91Å; V386-V404 HydrophobicContact CG1-CG2 4.31Å; V386-V404 HydrophobicContact CG2-CG2 3.8Å; D400-V404 WeakPolarHBondContact O-CG2 3.25Å; D400-V404 PolarHBondContact O-N 2.88Å; E401-V404 PolarHBondContact O-N 2.98Å; V404-S406 VanDerWaalsContact C-N 3.27Å; V404-S406 PolarHBondContact O-N 3.34Å; V404-L407 VanDerWaalsContact O-CB 3.28Å; V404-L407 WeakPolarHBondContact O-CB 3.49Å; V404-L407 WeakPolarHBondContact O-CG 3.28Å; V404-L407 PolarHBondContact O-N 2.88Å; V404-L407 VanDerWaalsContact O-N 3.11Å; V404-F435 HydrophobicContact CG1-CD2 4.02Å; V404-F435 HydrophobicContact CG1-CE2 3.62Å; V404-F435 HydrophobicContact CG1-CZ 4.26Å; V404-I438 HydrophobicContact CG1-CD1 4.08Å; V404-I438 HydrophobicContact CG1-CG1 4.27Å; V404-I438 HydrophobicContact CG1-CG2 4.49Å; V404-I438 HydrophobicContact CG2-CD1 4.06Å; V404-F440 HydrophobicContact CB-CB 4.2Å; V404-F440 HydrophobicContact CG1-CB 4.09Å; V404-F440 HydrophobicContact CG2-CB 4.19Å; V404-F440 HydrophobicContact CG2-CD2 4.39Å
405E98.3Very high98Very high73 Ų7352 Ų5234%0.34125%0.246SC..Hα-helixtrans-61.4-36.3175.5-65.1-81.9-163.200111.9E401 F403 L407 Q408 K433 F435E401-E405 WeakPolarHBondContact O-CB 3.32Å; E401-E405 WeakPolarHBondContact O-CG 3.27Å; E401-E405 PolarHBondContact O-N 3.43Å; F403-E405 PolarHBondContact O-N 3.19Å; E405-L407 PolarHBondContact O-N 2.69Å; E405-Q408 PolarHBondContact O-N 3.12Å; E405-K433 VanDerWaalsContact OE1-CD 3.31Å; E405-K433 WeakPolarHBondContact OE1-CD 3.41Å; E405-K433 WeakPolarHBondContact OE1-CE 3.34Å; E405-K433 IonicContact OE1-NZ 3.55Å; E405-K433 PolarHBondContact OE1-NZ 2.97Å; E405-K433 IonicContact OE2-NZ 2.81Å; E405-K433 PolarHBondContact OE2-NZ 3.4Å; E405-F435 WeakPolarHBondContact OE2-CZ 3.37Å
406S98.2Very high98Very high33 Ų3355.1 Ų55.123%0.23126%0.258CS..Hα-helixtrans-65.6-18.617886.40000113.3R370 W402 F403 V404 Q408R370-S406 PolarHBondContact NE-O 3.15Å; R370-S406 PolarHBondContact NH2-O 3.37Å; W402-S406 WeakPolarHBondContact O-CB 3.06Å; W402-S406 PolarHBondContact O-N 3.34Å; F403-S406 WeakPolarHBondContact O-CB 3.35Å; F403-S406 PolarHBondContact O-N 3.25Å; F403-S406 VanDerWaalsContact O-N 3.11Å; F403-S406 PolarHBondContact O-OG 2.84Å; V404-S406 VanDerWaalsContact C-N 3.27Å; V404-S406 PolarHBondContact O-N 3.34Å; S406-Q408 PolarHBondContact O-N 3.45Å
407L98.3Very high98Very high4 Ų458 Ų582%0.02128%0.276CS..THydrogen-bonded Turntrans-69.6-15.1174.1-54.3-178.5000112.3R370 Y373 L374 L377 F403 V404 E405 Q409 I438R370-L407 HydrophobicContact CB-CD2 4.43Å; R370-L407 HydrophobicContact CG-CD2 3.77Å; Y373-L407 HydrophobicContact CD1-CD1 4.41Å; Y373-L407 HydrophobicContact CG-CD1 4.38Å; L374-L407 HydrophobicContact CD2-CB 4.35Å; L374-L407 HydrophobicContact CD2-CD2 4.44Å; L374-L407 HydrophobicContact CG-CD2 4.37Å; L377-L407 HydrophobicContact CD1-CD1 3.87Å; F403-L407 HydrophobicContact CE1-CD1 4.34Å; F403-L407 HydrophobicContact CE1-CD2 4.35Å; F403-L407 HydrophobicContact CZ-CD2 4.14Å; F403-L407 PolarHBondContact O-N 3.4Å; V404-L407 VanDerWaalsContact O-CB 3.28Å; V404-L407 WeakPolarHBondContact O-CB 3.49Å; V404-L407 WeakPolarHBondContact O-CG 3.28Å; V404-L407 PolarHBondContact O-N 2.88Å; V404-L407 VanDerWaalsContact O-N 3.11Å; E405-L407 PolarHBondContact O-N 2.69Å; L407-Q409 HydrophobicContact CB-CG 4.05Å; L407-Q409 PolarHBondContact O-N 3.32Å; L407-Q409 PolarHBondContact O-NE2 3.48Å; L407-I438 HydrophobicContact CD1-CD1 3.79Å
408Q97.2Very high97.9Very high162 Ų16256.4 Ų56.476%0.75727%0.269SS*.  trans53.937.7175.6-62.8177.6-11.400113.4E405 S406E405-Q408 PolarHBondContact O-N 3.12Å; S406-Q408 PolarHBondContact O-N 3.45Å
409Q96.9Very high97.8Very high45 Ų4557.9 Ų57.921%0.2128%0.28CS..PPolyproline II helixtrans-75.4159.8173.3-56.7-56.4-75.400110.6L377 L407 V411 F435 I438L377-Q409 HydrophobicContact CD1-CG 3.87Å; L407-Q409 HydrophobicContact CB-CG 4.05Å; L407-Q409 PolarHBondContact O-N 3.32Å; L407-Q409 PolarHBondContact O-NE2 3.48Å; Q409-V411 PolarHBondContact O-N 2.93Å; Q409-F435 HydrophobicContact CB-CB 3.87Å; Q409-F435 HydrophobicContact CB-CD1 4.08Å; Q409-F435 HydrophobicContact CB-CG 4.27Å; Q409-F435 WeakPolarHBondContact O-CD1 3.39Å; Q409-I438 HydrophobicContact CB-CG2 4.46Å; Q409-I438 HydrophobicContact CG-CG2 4.11Å
410Q96.1Very high97.7Very high121 Ų12159.5 Ų59.557%0.56529%0.286SS*.PPolyproline II helixtrans-67.1129.2176.1178.7173.1-39.700110.3E412 F435 D436Q410-E412 PolarHBondContact NE2-OE1 3.12Å; Q410-E412 PolarHBondContact O-N 3.44Å; Q410-F435 CarbonylContact O-C 3.56Å; Q410-F435 WeakPolarHBondContact O-CA 3.42Å; Q410-F435 VanDerWaalsContact O-CB 3.22Å; Q410-F435 WeakPolarHBondContact O-CB 3.32Å; Q410-D436 PolarHBondContact O-N 3.36Å; Q410-D436 VanDerWaalsContact O-N 3.13Å
411V96.8Very high97.4Very high52 Ų5264.4 Ų64.432%0.31531%0.312SS..EExtended strand (participates in β ladder)trans-76.3117.5175.1-179.60000108.9Q409 F435Q409-V411 PolarHBondContact O-N 2.93Å; V411-F435 HydrophobicContact CB-CD1 4.43Å; V411-F435 HydrophobicContact CG2-CD1 3.78Å; V411-F435 HydrophobicContact CG2-CE1 3.57Å; V411-F435 HydrophobicContact CG2-CZ 4.47Å
412E95.7Very high96.6Very high103 Ų10364 Ų6448%0.48132%0.315SS..EExtended strand (participates in β ladder)trans-94.1-39.9176.4-74-61.412100111Q410 E434Q410-E412 PolarHBondContact NE2-OE1 3.12Å; Q410-E412 PolarHBondContact O-N 3.44Å; E412-E434 PolarHBondContact N-O 2.81Å
413V96.6Very high95.7Very high49 Ų4966.6 Ų66.630%0.29734%0.335SS..EExtended strand (participates in β ladder)trans-130121.2178.5-169.70000110R416 E434V413-R416 HydrophobicContact CG1-CG 4.46Å; V413-E434 HydrophobicContact CB-CB 3.83Å; V413-E434 HydrophobicContact CB-CG 4.16Å; V413-E434 HydrophobicContact CG2-CB 3.98Å; V413-E434 HydrophobicContact CG2-CG 4.4Å; V413-E434 PolarHBondContact N-O 3.41Å; V413-E434 PolarHBondContact O-N 3.13Å
414Q97.4Very high95Very high139 Ų13973.6 Ų73.665%0.6537%0.373SS*.EExtended strand (participates in β ladder)trans-60.4150.3174.2-67.9-61.9-24.900111.1R416Q414-R416 PolarHBondContact O-N 2.99Å; Q414-R416 VanDerWaalsContact O-N 3.17Å
415R98.4Very high94.5Very high105 Ų10575.2 Ų75.240%0.39639%0.389SS..EExtended strand (participates in β ladder)trans-51.5122.8-177.9-166177.6-163.9-86.23.8110.6E401 F431 V432 K433E401-R415 IonicContact OE1-CZ 2.93Å; E401-R415 IonicContact OE1-NE 2.62Å; E401-R415 PolarHBondContact OE1-NE 3.1Å; E401-R415 IonicContact OE1-NH2 2.73Å; E401-R415 IonicContact OE2-NH2 3.73Å; R415-F431 HydrophobicContact CG-CB 4.42Å; R415-V432 WeakPolarHBondContact CA-O 3.21Å; R415-K433 HydrophobicContact CB-CB 4.35Å; R415-K433 HydrophobicContact CG-CB 4.47Å
416R98.4Very high94.3Very high70 Ų7078.7 Ų78.726%0.26441%0.405SS..EExtended strand (participates in β ladder)trans-141156.9-176.763.1177.4179.483.1-0.3110.6V413 Q414 F431 V432 E434 Y471V413-R416 HydrophobicContact CG1-CG 4.46Å; Q414-R416 PolarHBondContact O-N 2.99Å; Q414-R416 VanDerWaalsContact O-N 3.17Å; R416-F431 CarbonylContact O-C 3.5Å; R416-F431 VanDerWaalsContact O-CA 3.31Å; R416-F431 WeakPolarHBondContact O-CA 3.3Å; R416-V432 HydrophobicContact CG-CG1 3.79Å; R416-V432 PolarHBondContact N-O 2.63Å; R416-V432 PolarHBondContact O-N 2.86Å; R416-E434 IonicContact CZ-OE2 3.34Å; R416-E434 IonicContact NE-OE2 3.79Å; R416-E434 PolarHBondContact NE-OE2 3.48Å; R416-E434 IonicContact NH2-OE2 3.77Å; R416-E434 PolarHBondContact NH2-OE2 2.89Å; R416-Y471 VanDerWaalsContact CZ-O 3.27Å; R416-Y471 PolarHBondContact NH1-O 2.81Å; R416-Y471 PolarHBondContact NH2-O 2.87Å
417P98.3Very high94.1Very high60 Ų6081.5 Ų81.539%0.3941%0.414SS..EExtended strand (participates in β ladder)trans-65.4143.9167.129-33.9000110I428 G430 F431P417-I428 HydrophobicContact CB-CD1 4.25Å; P417-I428 HydrophobicContact CB-CG1 4.27Å; P417-I428 HydrophobicContact CB-CG2 3.99Å; P417-G430 VanDerWaalsContact CA-O 3.25Å; P417-G430 WeakPolarHBondContact CA-O 3.06Å; P417-F431 HydrophobicContact CB-CD1 4.4Å; P417-F431 HydrophobicContact CB-CE1 4.28Å
418W98.2Very high94.1Very high0 Ų084.8 Ų84.80%043%0.432CS..EExtended strand (participates in β ladder)trans-106.1149.116470.8-84.9000109.1Y420 G429 G430 V432 L441 T442 V443 A457 M461 Y471W418-Y420 HydrophobicContact CZ3-CD1 4.41Å; W418-G429 VanDerWaalsContact CZ2-C 3.47Å; W418-G429 WeakPolarHBondContact CZ2-O 3.44Å; W418-G429 PolarHBondContact O-N 3.16Å; W418-G430 PolarHBondContact N-O 3.34Å; W418-V432 HydrophobicContact CB-CB 4.49Å; W418-V432 HydrophobicContact CB-CG1 4.03Å; W418-L441 HydrophobicContact CD2-CD1 4.11Å; W418-L441 HydrophobicContact CG-CD1 4.07Å; W418-L441 HydrophobicContact CG-CG 4.48Å; W418-L441 HydrophobicContact CZ2-CD2 3.78Å; W418-T442 PolarHBondContact NE1-O 3.39Å; W418-V443 HydrophobicContact CZ2-CG1 4.46Å; W418-V443 HydrophobicContact CZ2-CG2 4.18Å; W418-A457 HydrophobicContact CH2-CB 3.88Å; W418-M461 HydrophobicContact CH2-CB 4.13Å; W418-M461 HydrophobicContact CZ3-CB 4.41Å; W418-Y471 WeakPolarHBondContact CB-OXT 3.33Å
419V97.1Very high94.1Very high71 Ų7177.2 Ų77.243%0.4340%0.396SS..EExtended strand (participates in β ladder)trans-124.3148.3-172-63.60000111.3Q427 I428 R464V419-Q427 CarbonylContact C-O 3.53Å; V419-Q427 VanDerWaalsContact CA-O 3.23Å; V419-Q427 WeakPolarHBondContact CA-O 3.39Å; V419-I428 HydrophobicContact CG1-CG1 4.43Å; V419-R464 VanDerWaalsContact O-CZ 3.23Å; V419-R464 PolarHBondContact O-NH1 3.42Å; V419-R464 PolarHBondContact O-NH2 3.15Å
420Y95.4Very high94.1Very high37 Ų3775 Ų7515%0.14539%0.386CS..EExtended strand (participates in β ladder)trans-138.1161.7174.274.7-74.9000110.4W418 G422 Q427 V456 A457W418-Y420 HydrophobicContact CZ3-CD1 4.41Å; Y420-G422 PolarHBondContact O-N 3.34Å; Y420-Q427 HydrophobicContact CE1-CB 4Å; Y420-Q427 PolarHBondContact N-O 2.92Å; Y420-Q427 PolarHBondContact O-N 2.97Å; Y420-V456 HydrophobicContact CD2-CB 4.38Å; Y420-V456 HydrophobicContact CD2-CG1 3.98Å; Y420-V456 HydrophobicContact CE2-CB 3.95Å; Y420-V456 HydrophobicContact CE2-CG1 3.92Å; Y420-A457 HydrophobicContact CD1-CB 4.1Å; Y420-A457 HydrophobicContact CD2-CB 4.27Å; Y420-A457 HydrophobicContact CE1-CB 3.92Å; Y420-A457 HydrophobicContact CE2-CB 4.08Å; Y420-A457 HydrophobicContact CG-CB 4.28Å
421D92.8Very high94.3Very high108 Ų10873 Ų7358%0.57838%0.376SS*.EExtended strand (participates in β ladder)trans-87.997.9176.8-60.6-15.9000107.6H426D421-H426 IonicContact OD1-CE1 3.49Å; D421-H426 PolarHBondContact OD1-CE1 3.27Å; D421-H426 IonicContact OD1-CG 2.56Å; D421-H426 IonicContact OD1-ND1 2.76Å; D421-H426 PolarHBondContact OD1-ND1 3.42Å
422G82.7Confident94.4Very high18 Ų1870.5 Ų70.519%0.18636%0.361CS..EExtended strand (participates in β ladder)trans-80.7178.3172.900000111.8Y420 D424 G425Y420-G422 PolarHBondContact O-N 3.34Å; G422-D424 PolarHBondContact O-N 3.48Å; G422-G425 PolarHBondContact N-O 2.99Å; G422-G425 PolarHBondContact O-N 3.41Å
423L78.8Confident94.5Very high145 Ų14566.8 Ų66.876%0.75934%0.343SS*.THydrogen-bonded Turntrans-60.6-31.8174.1-64.1174.8000112.1
424D84.6Confident94.6Very high151 Ų15165.8 Ų65.881%0.80734%0.335SS*.THydrogen-bonded Turntrans-9820.5-179.9-54.1-54000113G422G422-D424 PolarHBondContact O-N 3.48Å
425G88.9Confident94.6Very high34 Ų3459.6 Ų59.635%0.35131%0.306SS..EExtended strand (participates in β ladder)trans94.6-159.4179.500000114.4G422 Q427G422-G425 PolarHBondContact N-O 2.99Å; G422-G425 PolarHBondContact O-N 3.41Å; G425-Q427 PolarHBondContact O-N 3.35Å
426H92.8Very high94.2Very high145 Ų14558 Ų5867%0.67131%0.305SS*.EExtended strand (participates in β ladder)trans-66.5121-177.3-65.7-61.5000111.5D421D421-H426 IonicContact OD1-CE1 3.49Å; D421-H426 PolarHBondContact OD1-CE1 3.27Å; D421-H426 IonicContact OD1-CG 2.56Å; D421-H426 IonicContact OD1-ND1 2.76Å; D421-H426 PolarHBondContact OD1-ND1 3.42Å
427Q95.1Very high93.9Very high92 Ų9257 Ų5743%0.4331%0.305SS..EExtended strand (participates in β ladder)trans-130.3152.3179.9-65.9-63.9-33.700111V419 Y420 G425 G429V419-Q427 CarbonylContact C-O 3.53Å; V419-Q427 VanDerWaalsContact CA-O 3.23Å; V419-Q427 WeakPolarHBondContact CA-O 3.39Å; Y420-Q427 HydrophobicContact CE1-CB 4Å; Y420-Q427 PolarHBondContact N-O 2.92Å; Y420-Q427 PolarHBondContact O-N 2.97Å; G425-Q427 PolarHBondContact O-N 3.35Å; Q427-G429 PolarHBondContact O-N 2.75Å
428I97.4Very high93.9Very high74 Ų7454.2 Ų54.238%0.37929%0.287SS..EExtended strand (participates in β ladder)trans-70.4117.3168.8-65.1174.5000108.2P417 V419 G430 K444P417-I428 HydrophobicContact CB-CD1 4.25Å; P417-I428 HydrophobicContact CB-CG1 4.27Å; P417-I428 HydrophobicContact CB-CG2 3.99Å; V419-I428 HydrophobicContact CG1-CG1 4.43Å; I428-G430 VanDerWaalsContact C-N 3.35Å; I428-G430 WeakPolarHBondContact CG2-O 3.49Å; I428-K444 WeakPolarHBondContact O-CE 3.39Å
429G96.8Very high93.9Very high2 Ų254.5 Ų54.52%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-76.9-23.3174.200000112.9W418 Q427 V443 K444W418-G429 VanDerWaalsContact CZ2-C 3.47Å; W418-G429 WeakPolarHBondContact CZ2-O 3.44Å; W418-G429 PolarHBondContact O-N 3.16Å; Q427-G429 PolarHBondContact O-N 2.75Å; G429-V443 CarbonylContact O-C 3.45Å; G429-V443 WeakPolarHBondContact O-CA 3.16Å; G429-K444 PolarHBondContact O-N 3Å
430G98.5Very high94Very high0 Ų051.2 Ų51.20%027%0.269CS..EExtended strand (participates in β ladder)trans150.2-148.4178.900000110P417 W418 I428 T442P417-G430 VanDerWaalsContact CA-O 3.25Å; P417-G430 WeakPolarHBondContact CA-O 3.06Å; W418-G430 PolarHBondContact N-O 3.34Å; I428-G430 VanDerWaalsContact C-N 3.35Å; I428-G430 WeakPolarHBondContact CG2-O 3.49Å; G430-T442 WeakPolarHBondContact CA-O 3.45Å
431F98.8Very high94.2Very high77 Ų7749.5 Ų49.534%0.33826%0.262SS..EExtended strand (participates in β ladder)trans-121.9144.1179.7-66.8-93.8000111.2R415 R416 P417 L441 T442R415-F431 HydrophobicContact CG-CB 4.42Å; R416-F431 CarbonylContact O-C 3.5Å; R416-F431 VanDerWaalsContact O-CA 3.31Å; R416-F431 WeakPolarHBondContact O-CA 3.3Å; P417-F431 HydrophobicContact CB-CD1 4.4Å; P417-F431 HydrophobicContact CB-CE1 4.28Å; F431-L441 CarbonylContact O-C 3.58Å; F431-L441 VanDerWaalsContact O-CA 3.3Å; F431-L441 WeakPolarHBondContact O-CA 3.22Å; F431-T442 PolarHBondContact N-OG1 2.84Å; F431-T442 PolarHBondContact O-N 2.97Å
432V98.8Very high94.5Very high1 Ų144.4 Ų44.41%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-126.4140.3176.964.40000109.7R415 R416 W418 E434 A439 F440 L441 Y471R415-V432 WeakPolarHBondContact CA-O 3.21Å; R416-V432 HydrophobicContact CG-CG1 3.79Å; R416-V432 PolarHBondContact N-O 2.63Å; R416-V432 PolarHBondContact O-N 2.86Å; W418-V432 HydrophobicContact CB-CB 4.49Å; W418-V432 HydrophobicContact CB-CG1 4.03Å; V432-E434 HydrophobicContact CG2-CG 3.76Å; V432-A439 HydrophobicContact CG2-CB 4.31Å; V432-F440 CarbonylContact C-O 3.56Å; V432-F440 VanDerWaalsContact CA-O 3.31Å; V432-F440 WeakPolarHBondContact CA-O 3.14Å; V432-L441 HydrophobicContact CB-CB 4.47Å; V432-L441 HydrophobicContact CB-CD1 4.13Å; V432-L441 HydrophobicContact CB-CG 4.3Å; V432-L441 HydrophobicContact CG2-CB 4.25Å; V432-L441 HydrophobicContact CG2-CD1 4.1Å; V432-L441 HydrophobicContact CG2-CG 4.46Å; V432-Y471 HydrophobicContact CG2-CD2 3.87Å; V432-Y471 HydrophobicContact CG2-CG 4.23Å
433K98.6Very high95.3Very high24 Ų2443.6 Ų43.610%0.10423%0.227CC..EExtended strand (participates in β ladder)trans-124.1125.7166.5-172.1179.5-178.7-173.80107.9E405 R415 F435 A439 F440E405-K433 VanDerWaalsContact OE1-CD 3.31Å; E405-K433 WeakPolarHBondContact OE1-CD 3.41Å; E405-K433 WeakPolarHBondContact OE1-CE 3.34Å; E405-K433 IonicContact OE1-NZ 3.55Å; E405-K433 PolarHBondContact OE1-NZ 2.97Å; E405-K433 IonicContact OE2-NZ 2.81Å; E405-K433 PolarHBondContact OE2-NZ 3.4Å; R415-K433 HydrophobicContact CB-CB 4.35Å; R415-K433 HydrophobicContact CG-CB 4.47Å; K433-F435 HydrophobicContact CB-CE2 4.34Å; K433-F435 HydrophobicContact CD-CE1 4.49Å; K433-F435 HydrophobicContact CD-CE2 3.89Å; K433-F435 HydrophobicContact CD-CZ 3.62Å; K433-F435 HydrophobicContact CG-CE2 3.85Å; K433-F435 HydrophobicContact CG-CZ 4.05Å; K433-A439 WeakPolarHBondContact O-CA 3.46Å; K433-F440 PolarHBondContact N-O 2.9Å; K433-F440 PolarHBondContact O-N 3.23Å
434E98.2Very high96.2Very high28 Ų2841.5 Ų41.513%0.13121%0.212CC..EExtended strand (participates in β ladder)trans-112.8131.6-174.2-48.1174.689.700109.5E412 V413 R416 V432 A439E412-E434 PolarHBondContact N-O 2.81Å; V413-E434 HydrophobicContact CB-CB 3.83Å; V413-E434 HydrophobicContact CB-CG 4.16Å; V413-E434 HydrophobicContact CG2-CB 3.98Å; V413-E434 HydrophobicContact CG2-CG 4.4Å; V413-E434 PolarHBondContact N-O 3.41Å; V413-E434 PolarHBondContact O-N 3.13Å; R416-E434 IonicContact CZ-OE2 3.34Å; R416-E434 IonicContact NE-OE2 3.79Å; R416-E434 PolarHBondContact NE-OE2 3.48Å; R416-E434 IonicContact NH2-OE2 3.77Å; R416-E434 PolarHBondContact NH2-OE2 2.89Å; V432-E434 HydrophobicContact CG2-CG 3.76Å; E434-A439 HydrophobicContact CG-CB 4.22Å
435F97.1Very high96.9Very high10 Ų1035.7 Ų35.74%0.04419%0.188CC..EExtended strand (participates in β ladder)trans-115175172.2-53.4-102.9000107.8V404 E405 Q409 Q410 V411 K433 N437 I438V404-F435 HydrophobicContact CG1-CD2 4.02Å; V404-F435 HydrophobicContact CG1-CE2 3.62Å; V404-F435 HydrophobicContact CG1-CZ 4.26Å; E405-F435 WeakPolarHBondContact OE2-CZ 3.37Å; Q409-F435 HydrophobicContact CB-CB 3.87Å; Q409-F435 HydrophobicContact CB-CD1 4.08Å; Q409-F435 HydrophobicContact CB-CG 4.27Å; Q409-F435 WeakPolarHBondContact O-CD1 3.39Å; Q410-F435 CarbonylContact O-C 3.56Å; Q410-F435 WeakPolarHBondContact O-CA 3.42Å; Q410-F435 VanDerWaalsContact O-CB 3.22Å; Q410-F435 WeakPolarHBondContact O-CB 3.32Å; V411-F435 HydrophobicContact CB-CD1 4.43Å; V411-F435 HydrophobicContact CG2-CD1 3.78Å; V411-F435 HydrophobicContact CG2-CE1 3.57Å; V411-F435 HydrophobicContact CG2-CZ 4.47Å; K433-F435 HydrophobicContact CB-CE2 4.34Å; K433-F435 HydrophobicContact CD-CE1 4.49Å; K433-F435 HydrophobicContact CD-CE2 3.89Å; K433-F435 HydrophobicContact CD-CZ 3.62Å; K433-F435 HydrophobicContact CG-CE2 3.85Å; K433-F435 HydrophobicContact CG-CZ 4.05Å; F435-N437 PolarHBondContact O-N 2.89Å; F435-I438 WeakPolarHBondContact CA-O 3.38Å; F435-I438 HydrophobicContact CB-CG2 3.81Å; F435-I438 WeakPolarHBondContact CB-O 3.48Å; F435-I438 HydrophobicContact CD2-CG2 4.28Å; F435-I438 HydrophobicContact CG-CG2 4.3Å; F435-I438 PolarHBondContact N-O 3.14Å
436D89.9Confident97.3Very high71 Ų7134.1 Ų34.138%0.3817%0.171SC..SBendtrans-31.6-69-177.1-86-25.9000114.9Q410Q410-D436 PolarHBondContact O-N 3.36Å; Q410-D436 VanDerWaalsContact O-N 3.13Å
437N93.4Very high97.6Very high49 Ų4927.2 Ų27.226%0.26214%0.139SC..SBendtrans-125.211.4-177.1-74.3-50.5000113.3L377 L380 V384 F435L377-N437 HydrophobicContact CD2-CB 4.06Å; L380-N437 VanDerWaalsContact CA-ND2 3.33Å; L380-N437 WeakPolarHBondContact CA-ND2 3.17Å; L380-N437 PolarHBondContact O-ND2 2.94Å; V384-N437 WeakPolarHBondContact CB-O 3.49Å; V384-N437 PolarHBondContact N-O 2.92Å; F435-N437 PolarHBondContact O-N 2.89Å
438I98.5Very high97.8Very high2 Ų223.2 Ų23.21%0.0112%0.12CC..EExtended strand (participates in β ladder)trans-131.4137.1177.3-173.9166.6000111.1Y373 L377 V384 V386 V404 L407 Q409 F435Y373-I438 HydrophobicContact CD1-CD1 4.02Å; Y373-I438 HydrophobicContact CE1-CD1 4.2Å; L377-I438 HydrophobicContact CD1-CB 4.48Å; L377-I438 HydrophobicContact CD1-CG2 4.16Å; L377-I438 HydrophobicContact CD2-CB 3.83Å; L377-I438 HydrophobicContact CD2-CG2 4.11Å; V384-I438 HydrophobicContact CB-CB 4.05Å; V384-I438 HydrophobicContact CB-CD1 4.41Å; V384-I438 HydrophobicContact CB-CG1 4.02Å; V384-I438 HydrophobicContact CG1-CB 4.41Å; V384-I438 HydrophobicContact CG1-CD1 3.83Å; V384-I438 HydrophobicContact CG1-CG1 3.88Å; V384-I438 WeakPolarHBondContact O-CA 3.33Å; V386-I438 HydrophobicContact CG2-CD1 4.27Å; V404-I438 HydrophobicContact CG1-CD1 4.08Å; V404-I438 HydrophobicContact CG1-CG1 4.27Å; V404-I438 HydrophobicContact CG1-CG2 4.49Å; V404-I438 HydrophobicContact CG2-CD1 4.06Å; L407-I438 HydrophobicContact CD1-CD1 3.79Å; Q409-I438 HydrophobicContact CB-CG2 4.46Å; Q409-I438 HydrophobicContact CG-CG2 4.11Å; F435-I438 WeakPolarHBondContact CA-O 3.38Å; F435-I438 HydrophobicContact CB-CG2 3.81Å; F435-I438 WeakPolarHBondContact CB-O 3.48Å; F435-I438 HydrophobicContact CD2-CG2 4.28Å; F435-I438 HydrophobicContact CG-CG2 4.3Å; F435-I438 PolarHBondContact N-O 3.14Å
439A98.8Very high97.8Very high5 Ų521.7 Ų21.74%0.04111%0.112CC..EExtended strand (participates in β ladder)trans-119141.5168.900000110.6V384 L385 V386 V432 K433 E434 Y471V384-A439 PolarHBondContact O-N 3.23Å; L385-A439 HydrophobicContact CD1-CB 4.19Å; V386-A439 PolarHBondContact N-O 3.46Å; V432-A439 HydrophobicContact CG2-CB 4.31Å; K433-A439 WeakPolarHBondContact O-CA 3.46Å; E434-A439 HydrophobicContact CG-CB 4.22Å; A439-Y471 HydrophobicContact CB-CD2 4.14Å; A439-Y471 HydrophobicContact CB-CE2 3.56Å
440F98.9Very high97.9Very high3 Ų321.6 Ų21.61%0.01311%0.111CC..EExtended strand (participates in β ladder)trans-103.4132.9163.7173.3-101.9000109.1V386 F397 D400 E401 V404 V432 K433 T442V386-F440 HydrophobicContact CB-CD2 4.37Å; V386-F440 HydrophobicContact CG1-CD2 4.17Å; V386-F440 CarbonylContact O-C 3.54Å; V386-F440 WeakPolarHBondContact O-CA 3.38Å; F397-F440 HydrophobicContact CB-CZ 4.21Å; F397-F440 HydrophobicContact CD2-CZ 4.34Å; F397-F440 VanDerWaalsContact O-CZ 3.23Å; F397-F440 WeakPolarHBondContact O-CZ 3.41Å; D400-F440 HydrophobicContact CB-CE2 4.01Å; E401-F440 HydrophobicContact CB-CD1 3.86Å; E401-F440 HydrophobicContact CB-CD2 4.38Å; E401-F440 HydrophobicContact CB-CE1 3.43Å; E401-F440 VanDerWaalsContact CB-CE1 3.43Å; E401-F440 HydrophobicContact CB-CE2 4Å; E401-F440 HydrophobicContact CB-CG 4.32Å; E401-F440 HydrophobicContact CB-CZ 3.51Å; E401-F440 VanDerWaalsContact CD-CE1 3.42Å; E401-F440 HydrophobicContact CG-CD1 3.59Å; E401-F440 HydrophobicContact CG-CE1 3.48Å; E401-F440 VanDerWaalsContact CG-CE1 3.48Å; E401-F440 HydrophobicContact CG-CG 4.31Å; E401-F440 HydrophobicContact CG-CZ 4.13Å; V404-F440 HydrophobicContact CB-CB 4.2Å; V404-F440 HydrophobicContact CG1-CB 4.09Å; V404-F440 HydrophobicContact CG2-CB 4.19Å; V404-F440 HydrophobicContact CG2-CD2 4.39Å; V432-F440 CarbonylContact C-O 3.56Å; V432-F440 VanDerWaalsContact CA-O 3.31Å; V432-F440 WeakPolarHBondContact CA-O 3.14Å; K433-F440 PolarHBondContact N-O 2.9Å; K433-F440 PolarHBondContact O-N 3.23Å; F440-T442 HydrophobicContact CE1-CG2 3.71Å; F440-T442 HydrophobicContact CZ-CG2 3.83Å
441L98.8Very high97.9Very high0 Ų021.7 Ų21.70%011%0.112CC..EExtended strand (participates in β ladder)trans-138.9130.1-175.3-174.5148.9000111.9L385 V386 Y387 N388 W418 F431 V432 V443 M461 Y471L385-L441 HydrophobicContact CD1-CB 4.03Å; V386-L441 PolarHBondContact O-N 2.78Å; Y387-L441 CarbonylContact C-O 3.58Å; Y387-L441 WeakPolarHBondContact CA-O 3.31Å; N388-L441 PolarHBondContact N-O 2.95Å; W418-L441 HydrophobicContact CD2-CD1 4.11Å; W418-L441 HydrophobicContact CG-CD1 4.07Å; W418-L441 HydrophobicContact CG-CG 4.48Å; W418-L441 HydrophobicContact CZ2-CD2 3.78Å; F431-L441 CarbonylContact O-C 3.58Å; F431-L441 VanDerWaalsContact O-CA 3.3Å; F431-L441 WeakPolarHBondContact O-CA 3.22Å; V432-L441 HydrophobicContact CB-CB 4.47Å; V432-L441 HydrophobicContact CB-CD1 4.13Å; V432-L441 HydrophobicContact CB-CG 4.3Å; V432-L441 HydrophobicContact CG2-CB 4.25Å; V432-L441 HydrophobicContact CG2-CD1 4.1Å; V432-L441 HydrophobicContact CG2-CG 4.46Å; L441-V443 HydrophobicContact CD2-CG2 3.72Å; L441-M461 HydrophobicContact CD1-CG 4.3Å; L441-M461 HydrophobicContact CD2-CG 4.28Å; L441-M461 HydrophobicContact CD2-SD 3.71Å; L441-Y471 HydrophobicContact CD1-CD1 3.75Å; L441-Y471 HydrophobicContact CD1-CE1 4.49Å; L441-Y471 HydrophobicContact CD1-CG 3.78Å
442T98.9Very high97.9Very high2 Ų220.8 Ų20.81%0.01211%0.113CC..EExtended strand (participates in β ladder)trans-92.5146.4168.272.10000111.4N388 F397 W418 G430 F431 F440N388-T442 CarbonylContact O-C 3.52Å; N388-T442 VanDerWaalsContact O-CA 3.25Å; N388-T442 WeakPolarHBondContact O-CA 3.42Å; F397-T442 HydrophobicContact CB-CG2 4.14Å; F397-T442 HydrophobicContact CD2-CG2 3.74Å; F397-T442 HydrophobicContact CG-CG2 4.15Å; W418-T442 PolarHBondContact NE1-O 3.39Å; G430-T442 WeakPolarHBondContact CA-O 3.45Å; F431-T442 PolarHBondContact N-OG1 2.84Å; F431-T442 PolarHBondContact O-N 2.97Å; F440-T442 HydrophobicContact CE1-CG2 3.71Å; F440-T442 HydrophobicContact CZ-CG2 3.83Å
443V98.9Very high97.9Very high1 Ų123.4 Ų23.41%0.00613%0.127CC..EExtended strand (participates in β ladder)trans-111.9106.7170.3-170.50000108.9N388 D390 W418 G429 L441 G445 S446 V450 K454 A457 M461N388-V443 PolarHBondContact O-N 2.78Å; D390-V443 PolarHBondContact N-O 3.5Å; W418-V443 HydrophobicContact CZ2-CG1 4.46Å; W418-V443 HydrophobicContact CZ2-CG2 4.18Å; G429-V443 CarbonylContact O-C 3.45Å; G429-V443 WeakPolarHBondContact O-CA 3.16Å; L441-V443 HydrophobicContact CD2-CG2 3.72Å; V443-G445 PolarHBondContact O-N 2.88Å; V443-S446 VanDerWaalsContact O-CB 3.25Å; V443-S446 WeakPolarHBondContact O-CB 3.38Å; V443-S446 PolarHBondContact O-N 2.99Å; V443-V450 HydrophobicContact CB-CG1 3.92Å; V443-V450 HydrophobicContact CG1-CG1 3.93Å; V443-V450 HydrophobicContact CG2-CG1 3.73Å; V443-K454 HydrophobicContact CG1-CB 3.93Å; V443-K454 HydrophobicContact CG1-CG 4.03Å; V443-A457 HydrophobicContact CG1-CB 4.21Å; V443-M461 HydrophobicContact CG2-SD 4.28Å
444K98.6Very high97.9Very high101 Ų10125.6 Ų25.644%0.43914%0.136SC..THydrogen-bonded Turntrans-67.9124-166.9-173-173.561.156.10112.9D390 I428 G429 S446 K454D390-K444 WeakPolarHBondContact OD1-CA 3.18Å; D390-K444 WeakPolarHBondContact OD2-CA 3.49Å; I428-K444 WeakPolarHBondContact O-CE 3.39Å; G429-K444 PolarHBondContact O-N 3Å; K444-S446 VanDerWaalsContact C-N 3.29Å; K444-K454 WeakPolarHBondContact O-CE 3.37Å
445G98.4Very high97.9Very high29 Ų2926.1 Ų26.130%0.29914%0.142SC..THydrogen-bonded Turntrans73.921.1-179.900000113.2D390 V443 K454D390-G445 PolarHBondContact OD1-N 2.79Å; V443-G445 PolarHBondContact O-N 2.88Å; G445-K454 VanDerWaalsContact C-CE 3.48Å; G445-K454 WeakPolarHBondContact O-CE 3.3Å; G445-K454 PolarHBondContact O-NZ 3.5Å
446S98.7Very high98Very high0 Ų027.1 Ų27.10%015%0.149CC..  trans-105.6141.9176.6-1650000110.4G389 D390 V391 V443 K444 V450G389-S446 CarbonylContact C-O 3.49Å; G389-S446 WeakPolarHBondContact CA-O 3.37Å; D390-S446 PolarHBondContact N-O 3.22Å; D390-S446 VanDerWaalsContact N-O 3.1Å; V391-S446 VanDerWaalsContact CG2-C 3.44Å; V391-S446 VanDerWaalsContact CG2-O 3.24Å; V391-S446 WeakPolarHBondContact CG2-O 3.49Å; V391-S446 PolarHBondContact N-O 3.29Å; V443-S446 VanDerWaalsContact O-CB 3.25Å; V443-S446 WeakPolarHBondContact O-CB 3.38Å; V443-S446 PolarHBondContact O-N 2.99Å; K444-S446 VanDerWaalsContact C-N 3.29Å; S446-V450 VanDerWaalsContact OG-CA 3.28Å; S446-V450 WeakPolarHBondContact OG-CA 3.35Å
447G98.7Very high98.4Very high0 Ų023.8 Ų23.80%013%0.131CC..  trans-86.2-151.6170.800000112.5Y264 G389 D453Y264-G447 CarbonylContact O-C 3.6Å; Y264-G447 WeakPolarHBondContact O-CA 3.31Å; G389-G447 WeakPolarHBondContact CA-O 3.25Å; G447-D453 VanDerWaalsContact CA-OD2 3.27Å; G447-D453 WeakPolarHBondContact CA-OD2 3.49Å; G447-D453 PolarHBondContact N-OD2 2.85Å
448H98.8Very high98.6Very high8 Ų821.5 Ų21.54%0.03712%0.119CC..SBendtrans-63.8-50.6-173.9-160.567.5000112E166 S167 N195 Y264 D392 V450E166-H448 VanDerWaalsContact CD-O 3.27Å; E166-H448 IonicContact OE1-CD2 3.3Å; S167-H448 WeakPolarHBondContact CB-NE2 3.42Å; S167-H448 PolarHBondContact OG-CE1 3.2Å; S167-H448 PolarHBondContact OG-NE2 3.12Å; N195-H448 PolarHBondContact OD1-O 3.39Å; Y264-H448 HydrophobicContact CD1-CB 3.61Å; Y264-H448 AromaticContact CD1-CD2 3.58Å; Y264-H448 AromaticContact CD1-CG 3.51Å; Y264-H448 AromaticContact CE1-CD2 3.75Å; Y264-H448 AromaticContact CE1-NE2 3.97Å; Y264-H448 HydrophobicContact CG-CB 3.99Å; Y264-H448 PolarHBondContact O-N 2.93Å; D392-H448 HydrophobicContact CB-CB 4.44Å; D392-H448 VanDerWaalsContact CG-ND1 3.3Å; D392-H448 IonicContact OD1-CG 3.84Å; D392-H448 IonicContact OD1-ND1 3.76Å; D392-H448 PolarHBondContact OD1-ND1 3.35Å; D392-H448 IonicContact OD2-CE1 3.6Å; D392-H448 IonicContact OD2-CG 3.94Å; D392-H448 IonicContact OD2-ND1 3.84Å; D392-H448 PolarHBondContact OD2-ND1 3.22Å; H448-V450 PolarHBondContact O-N 2.84Å; H448-V450 VanDerWaalsContact O-N 3.13Å
449M98.6Very high98.6Very high42 Ų4223.3 Ų23.321%0.20713%0.127CC..SBendtrans-85.278.9176.9-66.2165.1-74.700109.4E86 E166 T452 D453E86-M449 HydrophobicContact CG-CB 4.45Å; E166-M449 WeakPolarHBondContact OE1-CG 3.19Å; E166-M449 WeakPolarHBondContact OE2-CA 3.36Å; M449-T452 WeakPolarHBondContact O-CB 3.33Å; M449-T452 PolarHBondContact O-N 2.93Å; M449-T452 VanDerWaalsContact O-N 3.11Å; M449-D453 PolarHBondContact O-N 3.2Å
450V98.9Very high98.6Very high0 Ų024.1 Ų24.10%013%0.134CC..Hα-helixtrans-54.1-44.2-174.5172.70000114.2N195 Y387 V443 S446 H448 T452 D453 K454 A458N195-V450 WeakPolarHBondContact OD1-CG2 3.2Å; Y387-V450 HydrophobicContact CD2-CB 4.4Å; Y387-V450 HydrophobicContact CD2-CG1 4.34Å; Y387-V450 HydrophobicContact CD2-CG2 4.18Å; Y387-V450 HydrophobicContact CE2-CB 3.98Å; Y387-V450 HydrophobicContact CE2-CG1 4.21Å; Y387-V450 HydrophobicContact CE2-CG2 4.09Å; V443-V450 HydrophobicContact CB-CG1 3.92Å; V443-V450 HydrophobicContact CG1-CG1 3.93Å; V443-V450 HydrophobicContact CG2-CG1 3.73Å; S446-V450 VanDerWaalsContact OG-CA 3.28Å; S446-V450 WeakPolarHBondContact OG-CA 3.35Å; H448-V450 PolarHBondContact O-N 2.84Å; H448-V450 VanDerWaalsContact O-N 3.13Å; V450-T452 VanDerWaalsContact C-N 3.26Å; V450-T452 PolarHBondContact O-N 2.83Å; V450-D453 PolarHBondContact O-N 3.09Å; V450-K454 PolarHBondContact O-N 3.31Å; V450-A458 HydrophobicContact CG1-CB 4.16Å
451P98.8Very high98.6Very high3 Ų324 Ų242%0.01913%0.133CC..Hα-helixtrans-67.7-26.5-179.3-8.822.4000113.3E86 H87 W106 P455 A458E86-P451 HydrophobicContact CB-CB 3.97Å; E86-P451 HydrophobicContact CB-CG 4.07Å; E86-P451 WeakPolarHBondContact OE2-CD 3.24Å; H87-P451 HydrophobicContact CB-CB 3.83Å; H87-P451 HydrophobicContact CB-CG 4.4Å; W106-P451 HydrophobicContact CZ2-CG 4.23Å; P451-P455 WeakPolarHBondContact O-CA 3.32Å; P451-P455 VanDerWaalsContact O-CB 3.29Å; P451-P455 WeakPolarHBondContact O-CB 3.34Å; P451-A458 HydrophobicContact CB-CB 4.08Å
452T98.6Very high98.6Very high58 Ų5824.2 Ų24.236%0.35613%0.134SC..Hα-helixtrans-69.7-48.6174-55.50000111.4T85 E86 M449 V450T85-T452 PolarHBondContact O-OG1 3.07Å; T85-T452 VanDerWaalsContact O-OG1 3.11Å; E86-T452 WeakPolarHBondContact CG-OG1 3.39Å; M449-T452 WeakPolarHBondContact O-CB 3.33Å; M449-T452 PolarHBondContact O-N 2.93Å; M449-T452 VanDerWaalsContact O-N 3.11Å; V450-T452 VanDerWaalsContact C-N 3.26Å; V450-T452 PolarHBondContact O-N 2.83Å
453D98.4Very high98.6Very high56 Ų5625.1 Ų25.130%0.29914%0.14SC..Hα-helixtrans-79.5-34-172.8-74.9-19000113.3N265 G447 M449 V450N265-D453 PolarHBondContact ND2-OD2 3.08Å; G447-D453 VanDerWaalsContact CA-OD2 3.27Å; G447-D453 WeakPolarHBondContact CA-OD2 3.49Å; G447-D453 PolarHBondContact N-OD2 2.85Å; M449-D453 PolarHBondContact O-N 3.2Å; V450-D453 PolarHBondContact O-N 3.09Å
454K98.3Very high98.6Very high69 Ų6927.4 Ų27.430%0.315%0.148SC..  trans-13561.5-176.9-60.1-63.8172.1-148.40111.9V443 K444 G445 V450 V456 A457 A458V443-K454 HydrophobicContact CG1-CB 3.93Å; V443-K454 HydrophobicContact CG1-CG 4.03Å; K444-K454 WeakPolarHBondContact O-CE 3.37Å; G445-K454 VanDerWaalsContact C-CE 3.48Å; G445-K454 WeakPolarHBondContact O-CE 3.3Å; G445-K454 PolarHBondContact O-NZ 3.5Å; V450-K454 PolarHBondContact O-N 3.31Å; K454-V456 VanDerWaalsContact C-N 3.31Å; K454-V456 PolarHBondContact O-N 3.15Å; K454-A457 HydrophobicContact CB-CB 4.04Å; K454-A457 PolarHBondContact O-N 3.35Å; K454-A457 VanDerWaalsContact O-N 3.1Å; K454-A458 WeakPolarHBondContact O-CB 3.49Å; K454-A458 PolarHBondContact O-N 2.97Å
455P98.3Very high98.6Very high40 Ų4022.6 Ų22.626%0.2613%0.127SC..Hα-helixtrans-58.3-39-172.121.2-33.9000113.6Y104 P451 F459Y104-P455 HydrophobicContact CD2-CB 3.69Å; Y104-P455 HydrophobicContact CD2-CG 4.09Å; Y104-P455 HydrophobicContact CG-CB 4.06Å; P451-P455 WeakPolarHBondContact O-CA 3.32Å; P451-P455 VanDerWaalsContact O-CB 3.29Å; P451-P455 WeakPolarHBondContact O-CB 3.34Å; P455-F459 WeakPolarHBondContact O-CB 3.34Å; P455-F459 PolarHBondContact O-N 2.77Å
456V98.1Very high98.6Very high30 Ų3021.7 Ų21.718%0.18212%0.116CC..Hα-helixtrans-65.4-46.1178.5-164.30000111.6Y104 Y420 K454 A460Y104-V456 HydrophobicContact CD1-CB 4.44Å; Y104-V456 HydrophobicContact CD1-CG1 4.48Å; Y104-V456 HydrophobicContact CD1-CG2 4.25Å; Y104-V456 HydrophobicContact CD2-CG2 4.35Å; Y104-V456 HydrophobicContact CE1-CB 4.17Å; Y104-V456 HydrophobicContact CE1-CG1 4.01Å; Y104-V456 HydrophobicContact CE1-CG2 3.71Å; Y104-V456 HydrophobicContact CE2-CG2 3.8Å; Y104-V456 VanDerWaalsContact CZ-CG2 3.46Å; Y420-V456 HydrophobicContact CD2-CB 4.38Å; Y420-V456 HydrophobicContact CD2-CG1 3.98Å; Y420-V456 HydrophobicContact CE2-CB 3.95Å; Y420-V456 HydrophobicContact CE2-CG1 3.92Å; K454-V456 VanDerWaalsContact C-N 3.31Å; K454-V456 PolarHBondContact O-N 3.15Å; V456-A460 WeakPolarHBondContact O-CB 3.47Å; V456-A460 PolarHBondContact O-N 2.89Å
457A98.4Very high98.6Very high2 Ų227.2 Ų27.22%0.01714%0.14CC..Hα-helixtrans-69.6-42.2-179.400000110.8W418 Y420 V443 K454 F459 A460 M461W418-A457 HydrophobicContact CH2-CB 3.88Å; Y420-A457 HydrophobicContact CD1-CB 4.1Å; Y420-A457 HydrophobicContact CD2-CB 4.27Å; Y420-A457 HydrophobicContact CE1-CB 3.92Å; Y420-A457 HydrophobicContact CE2-CB 4.08Å; Y420-A457 HydrophobicContact CG-CB 4.28Å; V443-A457 HydrophobicContact CG1-CB 4.21Å; K454-A457 HydrophobicContact CB-CB 4.04Å; K454-A457 PolarHBondContact O-N 3.35Å; K454-A457 VanDerWaalsContact O-N 3.1Å; A457-F459 PolarHBondContact O-N 3.19Å; A457-A460 PolarHBondContact O-N 2.88Å; A457-M461 WeakPolarHBondContact O-CB 3.21Å; A457-M461 PolarHBondContact O-N 3.12Å
458A98.8Very high98.5Very high0 Ų031.6 Ų31.60%016%0.159CC..Hα-helixtrans-59.2-46175.900000111.5V450 P451 K454 M461 F462V450-A458 HydrophobicContact CG1-CB 4.16Å; P451-A458 HydrophobicContact CB-CB 4.08Å; K454-A458 WeakPolarHBondContact O-CB 3.49Å; K454-A458 PolarHBondContact O-N 2.97Å; A458-M461 PolarHBondContact O-N 3.22Å; A458-F462 VanDerWaalsContact O-CB 3.27Å; A458-F462 WeakPolarHBondContact O-CB 3.3Å; A458-F462 PolarHBondContact O-N 2.9Å
459F98.8Very high98.4Very high40 Ų4035.4 Ų35.418%0.17518%0.176CC..Hα-helixtrans-66.4-38176.9-176.5-106.4000112.8Y104 S105 K108 I109 P455 A457 T463Y104-F459 WeakPolarHBondContact O-CD2 3.43Å; S105-F459 VanDerWaalsContact O-CE2 3.24Å; S105-F459 WeakPolarHBondContact O-CE2 3.17Å; K108-F459 HydrophobicContact CB-CE2 3.94Å; K108-F459 HydrophobicContact CB-CZ 3.87Å; K108-F459 HydrophobicContact CD-CE2 4.45Å; K108-F459 HydrophobicContact CD-CZ 4.15Å; I109-F459 HydrophobicContact CG1-CE2 4.48Å; I109-F459 HydrophobicContact CG2-CZ 4.37Å; P455-F459 WeakPolarHBondContact O-CB 3.34Å; P455-F459 PolarHBondContact O-N 2.77Å; A457-F459 PolarHBondContact O-N 3.19Å; F459-T463 VanDerWaalsContact O-CB 3.28Å; F459-T463 WeakPolarHBondContact O-CB 3.36Å; F459-T463 PolarHBondContact O-N 3.04Å; F459-T463 PolarHBondContact O-OG1 2.65Å
460A98.4Very high98.3Very high22 Ų2238 Ų3818%0.18220%0.196CC..Hα-helixtrans-64.3-45.6175.100000111.9V456 A457 T463 R464V456-A460 WeakPolarHBondContact O-CB 3.47Å; V456-A460 PolarHBondContact O-N 2.89Å; A457-A460 PolarHBondContact O-N 2.88Å; A460-T463 PolarHBondContact O-N 3.36Å; A460-R464 WeakPolarHBondContact O-CG 3.34Å; A460-R464 PolarHBondContact O-N 3.4Å
461M98.8Very high98.1Very high2 Ų238.6 Ų38.61%0.0120%0.199CC..Hα-helixtrans-59.2-51.6174175.7-164.472.500111.2L385 Y387 W418 L441 V443 A457 A458 T463 R464 F465 Y471L385-M461 HydrophobicContact CD2-CG 4.06Å; L385-M461 HydrophobicContact CD2-SD 4.14Å; Y387-M461 HydrophobicContact CD1-CE 3.83Å; Y387-M461 HydrophobicContact CD1-SD 4.11Å; Y387-M461 HydrophobicContact CD2-CE 3.62Å; Y387-M461 HydrophobicContact CD2-SD 3.85Å; Y387-M461 HydrophobicContact CE1-CE 3.93Å; Y387-M461 HydrophobicContact CE2-CE 3.73Å; Y387-M461 HydrophobicContact CG-CE 3.67Å; Y387-M461 HydrophobicContact CG-SD 3.59Å; Y387-M461 VanDerWaalsContact CG-SD 3.59Å; W418-M461 HydrophobicContact CH2-CB 4.13Å; W418-M461 HydrophobicContact CZ3-CB 4.41Å; L441-M461 HydrophobicContact CD1-CG 4.3Å; L441-M461 HydrophobicContact CD2-CG 4.28Å; L441-M461 HydrophobicContact CD2-SD 3.71Å; V443-M461 HydrophobicContact CG2-SD 4.28Å; A457-M461 WeakPolarHBondContact O-CB 3.21Å; A457-M461 PolarHBondContact O-N 3.12Å; A458-M461 PolarHBondContact O-N 3.22Å; M461-T463 VanDerWaalsContact C-N 3.32Å; M461-T463 PolarHBondContact O-N 3.33Å; M461-R464 PolarHBondContact O-N 3.47Å; M461-F465 WeakPolarHBondContact O-CB 3.43Å; M461-F465 PolarHBondContact O-N 3.31Å; M461-Y471 HydrophobicContact CG-CE1 4.48Å
462F98.9Very high98.1Very high4 Ų440.4 Ų40.42%0.01821%0.208CC..Hα-helixtrans-57.3-45.2177.6175.3-108.3000111.6V68 W106 I109 A110 M112 A458 R464 F465 I466V68-F462 HydrophobicContact CG1-CE2 4.19Å; V68-F462 HydrophobicContact CG1-CZ 4.46Å; V68-F462 HydrophobicContact CG2-CE2 4.45Å; V68-F462 HydrophobicContact CG2-CZ 4.17Å; W106-F462 HydrophobicContact CB-CD1 3.89Å; W106-F462 HydrophobicContact CB-CE1 3.58Å; W106-F462 HydrophobicContact CB-CZ 3.95Å; W106-F462 AromaticContact CD1-CD1 3.96Å; W106-F462 HydrophobicContact CD2-CB 4.1Å; W106-F462 AromaticContact CD2-CD1 3.88Å; W106-F462 HydrophobicContact CD2-CD1 3.88Å; W106-F462 AromaticContact CD2-CD2 3.63Å; W106-F462 HydrophobicContact CD2-CD2 3.63Å; W106-F462 HydrophobicContact CD2-CE1 4.18Å; W106-F462 AromaticContact CD2-CE2 3.94Å; W106-F462 HydrophobicContact CD2-CE2 3.94Å; W106-F462 AromaticContact CD2-CG 3.59Å; W106-F462 HydrophobicContact CD2-CG 3.59Å; W106-F462 HydrophobicContact CD2-CZ 4.2Å; W106-F462 AromaticContact CE2-CG 3.8Å; W106-F462 HydrophobicContact CE3-CD1 4.41Å; W106-F462 AromaticContact CE3-CD2 3.45Å; W106-F462 HydrophobicContact CE3-CD2 3.45Å; W106-F462 VanDerWaalsContact CE3-CD2 3.45Å; W106-F462 HydrophobicContact CE3-CE1 4.44Å; W106-F462 AromaticContact CE3-CE2 3.48Å; W106-F462 HydrophobicContact CE3-CE2 3.48Å; W106-F462 VanDerWaalsContact CE3-CE2 3.48Å; W106-F462 AromaticContact CE3-CG 3.94Å; W106-F462 HydrophobicContact CE3-CG 3.94Å; W106-F462 AromaticContact CE3-CZ 3.99Å; W106-F462 HydrophobicContact CE3-CZ 3.99Å; W106-F462 HydrophobicContact CG-CB 4.44Å; W106-F462 AromaticContact CG-CD1 3.62Å; W106-F462 HydrophobicContact CG-CD1 3.62Å; W106-F462 HydrophobicContact CG-CD2 4.26Å; W106-F462 AromaticContact CG-CE1 3.83Å; W106-F462 HydrophobicContact CG-CE1 3.83Å; W106-F462 HydrophobicContact CG-CE2 4.43Å; W106-F462 AromaticContact CG-CG 3.85Å; W106-F462 HydrophobicContact CG-CG 3.85Å; W106-F462 HydrophobicContact CG-CZ 4.22Å; W106-F462 HydrophobicContact CH2-CD2 4.16Å; W106-F462 HydrophobicContact CZ2-CB 4.07Å; W106-F462 HydrophobicContact CZ2-CD2 4.29Å; W106-F462 HydrophobicContact CZ2-CG 4.33Å; W106-F462 AromaticContact CZ3-CD2 3.74Å; W106-F462 HydrophobicContact CZ3-CD2 3.74Å; W106-F462 AromaticContact CZ3-CE2 3.98Å; W106-F462 HydrophobicContact CZ3-CE2 3.98Å; W106-F462 HydrophobicContact CZ3-CG 4.46Å; W106-F462 WeakPolarHBondContact O-CE1 3.39Å; I109-F462 HydrophobicContact CD1-CD1 3.96Å; I109-F462 HydrophobicContact CD1-CE1 3.87Å; I109-F462 HydrophobicContact CG1-CD1 4.21Å; I109-F462 HydrophobicContact CG1-CE1 3.73Å; A110-F462 HydrophobicContact CB-CE1 4.25Å; A110-F462 HydrophobicContact CB-CZ 3.91Å; M112-F462 HydrophobicContact SD-CZ 4.08Å; A458-F462 VanDerWaalsContact O-CB 3.27Å; A458-F462 WeakPolarHBondContact O-CB 3.3Å; A458-F462 PolarHBondContact O-N 2.9Å; F462-R464 VanDerWaalsContact C-N 3.34Å; F462-R464 PolarHBondContact O-N 3.46Å; F462-F465 WeakPolarHBondContact O-CB 3.34Å; F462-F465 PolarHBondContact O-N 2.83Å; F462-I466 HydrophobicContact CD1-CG1 4.37Å; F462-I466 HydrophobicContact CD2-CG1 3.98Å; F462-I466 HydrophobicContact CE1-CG1 3.99Å; F462-I466 HydrophobicContact CE2-CD1 3.79Å; F462-I466 HydrophobicContact CE2-CG1 3.56Å; F462-I466 HydrophobicContact CG-CG1 4.38Å; F462-I466 HydrophobicContact CZ-CD1 3.98Å; F462-I466 HydrophobicContact CZ-CG1 3.57Å; F462-I466 WeakPolarHBondContact O-CB 3.39Å; F462-I466 WeakPolarHBondContact O-CG1 3.43Å; F462-I466 PolarHBondContact O-N 3.16Å
463T98.7Very high98.1Very high21 Ų2139.5 Ų39.513%0.12920%0.2CC..Hα-helixtrans-58.9-44.2177-62.80000112.1I109 F459 A460 M461 K467I109-T463 HydrophobicContact CD1-CG2 4.1Å; F459-T463 VanDerWaalsContact O-CB 3.28Å; F459-T463 WeakPolarHBondContact O-CB 3.36Å; F459-T463 PolarHBondContact O-N 3.04Å; F459-T463 PolarHBondContact O-OG1 2.65Å; A460-T463 PolarHBondContact O-N 3.36Å; M461-T463 VanDerWaalsContact C-N 3.32Å; M461-T463 PolarHBondContact O-N 3.33Å; T463-K467 HydrophobicContact CG2-CD 3.83Å; T463-K467 HydrophobicContact CG2-CG 4.44Å; T463-K467 VanDerWaalsContact O-CB 3.26Å; T463-K467 WeakPolarHBondContact O-CB 3.42Å; T463-K467 WeakPolarHBondContact O-CG 3.34Å; T463-K467 PolarHBondContact O-N 2.9Å
464R98.7Very high98.1Very high48 Ų4838.6 Ų38.618%0.18119%0.194CC..Hα-helixtrans-68.8-38.9178.6-70.7169.4179.6159.92.4111.9R383 V419 A460 M461 F462 K468 Q469 P470 Y471R383-R464 PolarHBondContact NH2-O 2.92Å; V419-R464 VanDerWaalsContact O-CZ 3.23Å; V419-R464 PolarHBondContact O-NH1 3.42Å; V419-R464 PolarHBondContact O-NH2 3.15Å; A460-R464 WeakPolarHBondContact O-CG 3.34Å; A460-R464 PolarHBondContact O-N 3.4Å; M461-R464 PolarHBondContact O-N 3.47Å; F462-R464 VanDerWaalsContact C-N 3.34Å; F462-R464 PolarHBondContact O-N 3.46Å; R464-K468 PolarHBondContact O-N 2.9Å; R464-K468 VanDerWaalsContact O-N 3.12Å; R464-Q469 HydrophobicContact CB-CB 4.18Å; R464-Q469 HydrophobicContact CG-CB 4.2Å; R464-Q469 PolarHBondContact O-N 3.04Å; R464-P470 WeakPolarHBondContact CD-O 3.46Å; R464-Y471 HydrophobicContact CB-CD1 4.25Å; R464-Y471 PolarHBondContact NH1-OXT 2.82Å
465F98.8Very high98.1Very high1 Ų136.8 Ų36.80%0.00419%0.188CC..Hα-helixtrans-58.9-54173.4172.6-105.9000111.5Y162 A192 R383 L385 M461 F462 K468 Y471Y162-F465 HydrophobicContact CD1-CD1 4.28Å; Y162-F465 AromaticContact CD1-CE1 3.31Å; Y162-F465 HydrophobicContact CD1-CE1 3.31Å; Y162-F465 AromaticContact CD1-CZ 3.54Å; Y162-F465 HydrophobicContact CD1-CZ 3.54Å; Y162-F465 HydrophobicContact CE1-CD1 4.43Å; Y162-F465 AromaticContact CE1-CE1 3.76Å; Y162-F465 HydrophobicContact CE1-CE1 3.76Å; Y162-F465 AromaticContact CE1-CZ 3.88Å; Y162-F465 HydrophobicContact CE1-CZ 3.88Å; Y162-F465 HydrophobicContact CG-CE1 4.16Å; A192-F465 HydrophobicContact CB-CD1 4.33Å; A192-F465 HydrophobicContact CB-CE1 3.87Å; A192-F465 HydrophobicContact CB-CE2 4.18Å; A192-F465 HydrophobicContact CB-CZ 3.8Å; R383-F465 HydrophobicContact CB-CE2 4.36Å; R383-F465 WeakPolarHBondContact CD-O 3.42Å; R383-F465 HydrophobicContact CG-CD2 4.11Å; R383-F465 HydrophobicContact CG-CE2 3.92Å; R383-F465 PolarHBondContact NE-O 3.02Å; R383-F465 WeakPolarHBondContact O-CE2 3.3Å; L385-F465 HydrophobicContact CB-CD2 3.74Å; L385-F465 HydrophobicContact CB-CE2 3.81Å; L385-F465 HydrophobicContact CD2-CB 4.17Å; L385-F465 HydrophobicContact CD2-CD2 4.06Å; L385-F465 HydrophobicContact CD2-CG 4.22Å; M461-F465 WeakPolarHBondContact O-CB 3.43Å; M461-F465 PolarHBondContact O-N 3.31Å; F462-F465 WeakPolarHBondContact O-CB 3.34Å; F462-F465 PolarHBondContact O-N 2.83Å; F465-K468 PolarHBondContact O-N 3Å; F465-Y471 HydrophobicContact CB-CE1 4.22Å; F465-Y471 WeakPolarHBondContact CD2-OH 3.33Å
466I98.6Very high98Very high10 Ų1036.6 Ų36.65%0.05118%0.183CC..Hα-helixtrans-62.9-46.7-179.4-67.7-60.9000111.6P66 V68 I109 Y162 F462 K468P66-I466 HydrophobicContact CG-CG2 3.82Å; V68-I466 HydrophobicContact CG2-CD1 3.95Å; I109-I466 HydrophobicContact CD1-CB 4.31Å; I109-I466 HydrophobicContact CD1-CG2 4.4Å; Y162-I466 HydrophobicContact CD1-CD1 4.09Å; Y162-I466 HydrophobicContact CD2-CD1 3.72Å; Y162-I466 HydrophobicContact CE1-CD1 4.25Å; Y162-I466 HydrophobicContact CE2-CD1 3.93Å; Y162-I466 HydrophobicContact CG-CD1 3.8Å; Y162-I466 PolarHBondContact OH-O 3.34Å; F462-I466 HydrophobicContact CD1-CG1 4.37Å; F462-I466 HydrophobicContact CD2-CG1 3.98Å; F462-I466 HydrophobicContact CE1-CG1 3.99Å; F462-I466 HydrophobicContact CE2-CD1 3.79Å; F462-I466 HydrophobicContact CE2-CG1 3.56Å; F462-I466 HydrophobicContact CG-CG1 4.38Å; F462-I466 HydrophobicContact CZ-CD1 3.98Å; F462-I466 HydrophobicContact CZ-CG1 3.57Å; F462-I466 WeakPolarHBondContact O-CB 3.39Å; F462-I466 WeakPolarHBondContact O-CG1 3.43Å; F462-I466 PolarHBondContact O-N 3.16Å; I466-K468 PolarHBondContact O-N 3.28Å; I466-K468 VanDerWaalsContact O-N 3.14Å
467K98.1Very high98Very high116 Ų11637 Ų3750%0.50418%0.184SC..THydrogen-bonded Turntrans-78.46.3-178.9-66.1-176.8174.3173.90114.1T463 Q469T463-K467 HydrophobicContact CG2-CD 3.83Å; T463-K467 HydrophobicContact CG2-CG 4.44Å; T463-K467 VanDerWaalsContact O-CB 3.26Å; T463-K467 WeakPolarHBondContact O-CB 3.42Å; T463-K467 WeakPolarHBondContact O-CG 3.34Å; T463-K467 PolarHBondContact O-N 2.9Å; K467-Q469 HydrophobicContact CB-CG 3.89Å; K467-Q469 PolarHBondContact O-N 3.31Å
468K97.3Very high98Very high92 Ų9239.5 Ų39.540%0.420%0.196SC..THydrogen-bonded Turntrans54.834.9-178.4-56.9172.6-178.8166.90112.9E160 Y162 R383 R464 F465 I466E160-K468 IonicContact OE1-NZ 3.81Å; E160-K468 PolarHBondContact OE1-NZ 2.85Å; Y162-K468 VanDerWaalsContact OH-CE 3.3Å; Y162-K468 WeakPolarHBondContact OH-CE 3.36Å; R383-K468 PolarHBondContact NH1-O 3.46Å; R464-K468 PolarHBondContact O-N 2.9Å; R464-K468 VanDerWaalsContact O-N 3.12Å; F465-K468 PolarHBondContact O-N 3Å; I466-K468 PolarHBondContact O-N 3.28Å; I466-K468 VanDerWaalsContact O-N 3.14Å
469Q97.4Very high98Very high88 Ų8842.5 Ų42.541%0.41121%0.211SC..  trans-92.5156-180-64.4177.2-11.600111.7R383 R464 K467R383-Q469 PolarHBondContact NH2-O 3.5Å; R464-Q469 HydrophobicContact CB-CB 4.18Å; R464-Q469 HydrophobicContact CG-CB 4.2Å; R464-Q469 PolarHBondContact O-N 3.04Å; K467-Q469 HydrophobicContact CB-CG 3.89Å; K467-Q469 PolarHBondContact O-N 3.31Å
470P95.4Very high97.9Very high95 Ų9542.8 Ų42.862%0.61721%0.214SC*.  trans-58.8146.6169.4-22.233.7000111.8R464R464-P470 WeakPolarHBondContact CD-O 3.46Å
471Y95.5Very high97.8Very high14 Ų1444.6 Ų44.66%0.05522%0.216CC..  trans-750179.5-61.9-75000113.9R383 L385 R416 W418 V432 A439 L441 M461 R464 F465R383-Y471 PolarHBondContact NE-OH 3.36Å; R383-Y471 VanDerWaalsContact NH2-CZ 3.27Å; R383-Y471 PolarHBondContact NH2-OH 3.45Å; L385-Y471 HydrophobicContact CD1-CE1 4.22Å; L385-Y471 HydrophobicContact CD1-CE2 4.37Å; L385-Y471 HydrophobicContact CD2-CE1 4.08Å; R416-Y471 VanDerWaalsContact CZ-O 3.27Å; R416-Y471 PolarHBondContact NH1-O 2.81Å; R416-Y471 PolarHBondContact NH2-O 2.87Å; W418-Y471 WeakPolarHBondContact CB-OXT 3.33Å; V432-Y471 HydrophobicContact CG2-CD2 3.87Å; V432-Y471 HydrophobicContact CG2-CG 4.23Å; A439-Y471 HydrophobicContact CB-CD2 4.14Å; A439-Y471 HydrophobicContact CB-CE2 3.56Å; L441-Y471 HydrophobicContact CD1-CD1 3.75Å; L441-Y471 HydrophobicContact CD1-CE1 4.49Å; L441-Y471 HydrophobicContact CD1-CG 3.78Å; M461-Y471 HydrophobicContact CG-CE1 4.48Å; R464-Y471 HydrophobicContact CB-CD1 4.25Å; R464-Y471 PolarHBondContact NH1-OXT 2.82Å; F465-Y471 HydrophobicContact CB-CE1 4.22Å; F465-Y471 WeakPolarHBondContact CD2-OH 3.33Å

Retrieved 471 of 471 residues in 323.2 ms (Link to these results)

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