G4LZZ3_SCHMA Loading...

Neuronal calcium sensor, putative

AlphaFold DB , UniProt , Accession G4LZZ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 191 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
1M38.1Very low54.4Low246 Ų246141 Ų141100%1.21274%0.743SS**  0112.70-76165.7171.700107.3N3M1-N3 PolarHBondContact O-N 3.45Å
2G34Very low57.5Low78 Ų78132.7 Ų132.780%0.80471%0.705SS**  trans-75.9119-173.300000111.3F4G2-F4 PolarHBondContact O-N 2.9Å; G2-F4 VanDerWaalsContact O-N 3.09Å
3N41.5Very low60.2Low156 Ų156139.7 Ų139.783%0.83472%0.716SS**  trans-68.1103.8166.6-90.2-3.2000108.4M1 V5M1-N3 PolarHBondContact O-N 3.45Å; N3-V5 VanDerWaalsContact C-N 3.28Å; N3-V5 PolarHBondContact O-N 3.09Å
4F39.2Very low62.7Low213 Ų213141.2 Ų141.293%0.93472%0.718SS**  trans-62.693.3162.9-111.4-95.2000108G2 G6G2-F4 PolarHBondContact O-N 2.9Å; G2-F4 VanDerWaalsContact O-N 3.09Å; F4-G6 PolarHBondContact O-N 3.26Å
5V48.2Very low64.7Low117 Ų117135.1 Ų135.171%0.70969%0.688SS**  trans-76.8104.9165.9-176.50000105.4N3N3-V5 VanDerWaalsContact C-N 3.28Å; N3-V5 PolarHBondContact O-N 3.09Å
6G48.1Very low66.6Low44 Ų44128.1 Ų128.145%0.45465%0.652SS.*  trans-52.5163.3173.400000111.7F4 R8F4-G6 PolarHBondContact O-N 3.26Å; G6-R8 PolarHBondContact O-N 3.04Å
7P51.7Low68.3Low131 Ų131124.6 Ų124.685%0.85164%0.639SS**  trans-51.5120.8-178.321.1-31.4000109.6K9P7-K9 PolarHBondContact O-N 2.93Å
8R57.6Low69.9Low207 Ų207121.9 Ų121.978%0.78162%0.622SS**  trans-51.4112.3176.9-80.1-177.3171.9164.8-2.2107.7G6 K10G6-R8 PolarHBondContact O-N 3.04Å; R8-K10 PolarHBondContact O-N 3.41Å
9K69Low71.2Confident131 Ų131115.5 Ų115.557%0.5759%0.589SS**PPolyproline II helixtrans-50.3128.4167.6-78.7-178178.3172.50106.2P7 Y34 S43P7-K9 PolarHBondContact O-N 2.93Å; K9-Y34 PolarHBondContact O-OH 3.22Å; K9-S43 PolarHBondContact NZ-O 3.19Å; K9-S43 VanDerWaalsContact NZ-O 3.15Å
10K81.4Confident72.4Confident193 Ų193115.1 Ų115.184%0.83958%0.583SS**PPolyproline II helixtrans-93.7141.1174.1-70.7-178.2179.7175.10107R8 S12 Y34R8-K10 PolarHBondContact O-N 3.41Å; K10-S12 PolarHBondContact O-N 3.15Å; K10-Y34 VanDerWaalsContact C-OH 3.28Å
11L90Very high73.5Confident35 Ų35116.4 Ų116.418%0.18359%0.587CS.*PPolyproline II helixtrans-57.2124168.9-177.962.2000108.7D15 L16 I30 Y34 F85L11-D15 HydrophobicContact CD1-CB 3.74Å; L11-L16 HydrophobicContact CD2-CB 4.09Å; L11-L16 HydrophobicContact CD2-CD1 3.91Å; L11-L16 HydrophobicContact CD2-CG 4.5Å; L11-L16 HydrophobicContact CG-CB 4.3Å; L11-I30 HydrophobicContact CD2-CG2 3.7Å; L11-Y34 HydrophobicContact CB-CD1 3.99Å; L11-Y34 HydrophobicContact CB-CD2 3.98Å; L11-Y34 HydrophobicContact CB-CE1 3.94Å; L11-Y34 HydrophobicContact CB-CE2 3.93Å; L11-Y34 HydrophobicContact CB-CG 3.99Å; L11-Y34 HydrophobicContact CD1-CD2 4Å; L11-Y34 HydrophobicContact CD1-CE2 4.06Å; L11-Y34 HydrophobicContact CD2-CG 4.44Å; L11-Y34 HydrophobicContact CG-CD2 4.4Å; L11-Y34 VanDerWaalsContact N-CZ 3.33Å; L11-Y34 PolarHBondContact N-OH 3.21Å; L11-F85 HydrophobicContact CD1-CD1 3.66Å; L11-F85 HydrophobicContact CD1-CE1 3.91Å; L11-F85 HydrophobicContact CD2-CE1 4.14Å
12S91.7Very high76.1Confident41 Ų41108.4 Ų108.429%0.28755%0.549SS..PPolyproline II helixtrans-65.9157.1-178.680.20000110.5K10 E14 D15 L16K10-S12 PolarHBondContact O-N 3.15Å; S12-E14 PolarHBondContact O-N 2.87Å; S12-D15 WeakPolarHBondContact CB-OD2 3.25Å; S12-D15 WeakPolarHBondContact OG-CB 3.37Å; S12-D15 PolarHBondContact OG-N 3.25Å; S12-D15 PolarHBondContact OG-OD2 3.07Å; S12-L16 WeakPolarHBondContact O-CB 3.37Å; S12-L16 PolarHBondContact O-N 3.25Å; S12-L16 VanDerWaalsContact O-N 3.15Å
13R92.7Very high78.8Confident224 Ų224105.3 Ų105.385%0.84552%0.515SS*.Hα-helixtrans-67.2-32.3175.4-67.9-179.279.41672.3111T17R13-T17 WeakPolarHBondContact O-CB 3.4Å; R13-T17 PolarHBondContact O-N 3.14Å; R13-T17 PolarHBondContact O-OG1 3.27Å
14E94Very high81.1Confident161 Ų161104 Ų10475%0.75250%0.504SS*.Hα-helixtrans-66.8-52.9178.9-70.1166.6-16300110.7S12 L16 T17 F18S12-E14 PolarHBondContact O-N 2.87Å; E14-L16 VanDerWaalsContact C-N 3.27Å; E14-L16 PolarHBondContact O-N 2.73Å; E14-T17 PolarHBondContact O-N 3.15Å; E14-T17 VanDerWaalsContact O-N 3.11Å; E14-F18 WeakPolarHBondContact O-CB 3.49Å; E14-F18 PolarHBondContact O-N 2.92Å
15D93.8Very high83.6Confident49 Ų4995.6 Ų95.626%0.26247%0.467SS..Hα-helixtrans-60.3-39.8177.1-62.2-41.9000111.4L11 S12 T17 F18 L19L11-D15 HydrophobicContact CD1-CB 3.74Å; S12-D15 WeakPolarHBondContact CB-OD2 3.25Å; S12-D15 WeakPolarHBondContact OG-CB 3.37Å; S12-D15 PolarHBondContact OG-N 3.25Å; S12-D15 PolarHBondContact OG-OD2 3.07Å; D15-T17 PolarHBondContact O-N 3.44Å; D15-F18 PolarHBondContact O-N 3.03Å; D15-L19 VanDerWaalsContact O-CB 3.29Å; D15-L19 WeakPolarHBondContact O-CB 3.22Å; D15-L19 WeakPolarHBondContact O-CG 3.26Å; D15-L19 PolarHBondContact O-N 2.82Å
16L95.3Very high85.8Confident23 Ų2393.4 Ų93.412%0.1245%0.454CS..Hα-helixtrans-65.4-38.7177.6-178.660.9000112.5L11 S12 E14 K20 K27 I30L11-L16 HydrophobicContact CD2-CB 4.09Å; L11-L16 HydrophobicContact CD2-CD1 3.91Å; L11-L16 HydrophobicContact CD2-CG 4.5Å; L11-L16 HydrophobicContact CG-CB 4.3Å; S12-L16 WeakPolarHBondContact O-CB 3.37Å; S12-L16 PolarHBondContact O-N 3.25Å; S12-L16 VanDerWaalsContact O-N 3.15Å; E14-L16 VanDerWaalsContact C-N 3.27Å; E14-L16 PolarHBondContact O-N 2.73Å; L16-K20 VanDerWaalsContact O-CG 3.26Å; L16-K20 WeakPolarHBondContact O-CG 3.37Å; L16-K20 PolarHBondContact O-N 3.45Å; L16-K27 HydrophobicContact CD1-CG 4.24Å; L16-K27 HydrophobicContact CD2-CD 4.36Å; L16-K27 HydrophobicContact CD2-CG 4.16Å; L16-I30 HydrophobicContact CD1-CB 3.99Å; L16-I30 HydrophobicContact CD1-CD1 4.02Å; L16-I30 HydrophobicContact CD1-CG2 3.66Å
17T95.5Very high88.1Confident69 Ų6996.6 Ų96.642%0.42346%0.455SS..Hα-helixtrans-67.6-49.9176-63.80000109.9R13 E14 D15 L19 K20 E21R13-T17 WeakPolarHBondContact O-CB 3.4Å; R13-T17 PolarHBondContact O-N 3.14Å; R13-T17 PolarHBondContact O-OG1 3.27Å; E14-T17 PolarHBondContact O-N 3.15Å; E14-T17 VanDerWaalsContact O-N 3.11Å; D15-T17 PolarHBondContact O-N 3.44Å; T17-L19 PolarHBondContact O-N 3.46Å; T17-K20 WeakPolarHBondContact O-CB 3.39Å; T17-K20 PolarHBondContact O-N 3.03Å; T17-K20 VanDerWaalsContact O-N 3.1Å; T17-E21 WeakPolarHBondContact CG2-OE1 3.36Å; T17-E21 WeakPolarHBondContact O-CG 3.39Å; T17-E21 PolarHBondContact O-N 3.17Å; T17-E21 VanDerWaalsContact O-N 3.14Å
18F95.9Very high90.2Very high76 Ų7699.1 Ų99.133%0.33345%0.447SS..Hα-helixtrans-54.9-49.6178176.1-88.7000112E14 D15 K20 E21 N22 K86 L90E14-F18 WeakPolarHBondContact O-CB 3.49Å; E14-F18 PolarHBondContact O-N 2.92Å; D15-F18 PolarHBondContact O-N 3.03Å; F18-K20 VanDerWaalsContact C-N 3.28Å; F18-K20 PolarHBondContact O-N 2.81Å; F18-E21 PolarHBondContact O-N 3.09Å; F18-N22 WeakPolarHBondContact CD2-ND2 3.36Å; F18-N22 HydrophobicContact CE1-CB 4.25Å; F18-N22 WeakPolarHBondContact CE2-ND2 3.39Å; F18-N22 HydrophobicContact CZ-CB 4.26Å; F18-N22 WeakPolarHBondContact O-CB 3.48Å; F18-N22 PolarHBondContact O-N 3.3Å; F18-N22 PolarHBondContact O-ND2 3.38Å; F18-K86 HydrophobicContact CD1-CD 3.59Å; F18-K86 HydrophobicContact CD1-CG 3.83Å; F18-K86 HydrophobicContact CE1-CD 3.75Å; F18-K86 HydrophobicContact CE1-CG 3.85Å; F18-K86 HydrophobicContact CG-CD 4.36Å; F18-L90 HydrophobicContact CE1-CD1 4.03Å; F18-L90 HydrophobicContact CE1-CD2 4.2Å; F18-L90 HydrophobicContact CE1-CG 4.45Å; F18-L90 HydrophobicContact CZ-CD1 4.48Å
19L96Very high92Very high0 Ų092.5 Ų92.50%043%0.426CS..Hα-helixtrans-64.3-32.1-179.9-72.9169.1000112.5D15 T17 E21 T23 I30 F85 K86 L89 L90D15-L19 VanDerWaalsContact O-CB 3.29Å; D15-L19 WeakPolarHBondContact O-CB 3.22Å; D15-L19 WeakPolarHBondContact O-CG 3.26Å; D15-L19 PolarHBondContact O-N 2.82Å; T17-L19 PolarHBondContact O-N 3.46Å; L19-E21 VanDerWaalsContact C-N 3.29Å; L19-T23 HydrophobicContact CD2-CG2 4.17Å; L19-T23 WeakPolarHBondContact O-CB 3.39Å; L19-T23 PolarHBondContact O-N 3.33Å; L19-T23 VanDerWaalsContact O-N 3.1Å; L19-T23 PolarHBondContact O-OG1 3.16Å; L19-I30 HydrophobicContact CB-CD1 3.81Å; L19-I30 HydrophobicContact CB-CG1 4.4Å; L19-I30 HydrophobicContact CB-CG2 4.43Å; L19-I30 HydrophobicContact CD1-CG2 3.92Å; L19-F85 HydrophobicContact CD1-CD1 4.02Å; L19-F85 HydrophobicContact CD1-CE1 3.68Å; L19-K86 HydrophobicContact CD2-CB 4.45Å; L19-K86 HydrophobicContact CD2-CG 3.96Å; L19-K86 HydrophobicContact CG-CG 4.28Å; L19-L89 HydrophobicContact CB-CD2 4.42Å; L19-L89 HydrophobicContact CD1-CD2 3.89Å; L19-L89 HydrophobicContact CD2-CB 4Å; L19-L89 HydrophobicContact CD2-CD2 4.07Å; L19-L89 HydrophobicContact CD2-CG 4.39Å; L19-L89 HydrophobicContact CG-CD2 4.35Å; L19-L90 HydrophobicContact CD2-CG 4.37Å
20K95.2Very high93.3Very high107 Ų10786.3 Ų86.347%0.46540%0.398SS..Hα-helixtrans-69.9-27.9174.3-76.5178.767.9-109.70113.2L16 T17 F18 K27 I30L16-K20 VanDerWaalsContact O-CG 3.26Å; L16-K20 WeakPolarHBondContact O-CG 3.37Å; L16-K20 PolarHBondContact O-N 3.45Å; T17-K20 WeakPolarHBondContact O-CB 3.39Å; T17-K20 PolarHBondContact O-N 3.03Å; T17-K20 VanDerWaalsContact O-N 3.1Å; F18-K20 VanDerWaalsContact C-N 3.28Å; F18-K20 PolarHBondContact O-N 2.81Å; K20-K27 HydrophobicContact CD-CB 4.04Å; K20-I30 HydrophobicContact CB-CD1 4.39Å; K20-I30 HydrophobicContact CG-CD1 3.52Å
21E94.8Very high93.9Very high143 Ų14382.1 Ų82.167%0.66838%0.38SS*.Hα-helixtrans-87.3-25.9-178.3-71.5170.5179.500111.9T17 F18 L19T17-E21 WeakPolarHBondContact CG2-OE1 3.36Å; T17-E21 WeakPolarHBondContact O-CG 3.39Å; T17-E21 PolarHBondContact O-N 3.17Å; T17-E21 VanDerWaalsContact O-N 3.14Å; F18-E21 PolarHBondContact O-N 3.09Å; L19-E21 VanDerWaalsContact C-N 3.29Å
22N92.4Very high94.1Very high79 Ų7986 Ų8642%0.42240%0.398SS..Hα-helixtrans-115.88.1-172.7-63.3-88000113.8F18 L90F18-N22 WeakPolarHBondContact CD2-ND2 3.36Å; F18-N22 HydrophobicContact CE1-CB 4.25Å; F18-N22 WeakPolarHBondContact CE2-ND2 3.39Å; F18-N22 HydrophobicContact CZ-CB 4.26Å; F18-N22 WeakPolarHBondContact O-CB 3.48Å; F18-N22 PolarHBondContact O-N 3.3Å; F18-N22 PolarHBondContact O-ND2 3.38Å; N22-L90 HydrophobicContact CB-CD2 4.19Å
23T91.8Very high94.3Very high12 Ų1288.8 Ų88.87%0.07440%0.402CS..SBendtrans-139.9163.3174.274.70000110.8L19 F25 L90 N93L19-T23 HydrophobicContact CD2-CG2 4.17Å; L19-T23 WeakPolarHBondContact O-CB 3.39Å; L19-T23 PolarHBondContact O-N 3.33Å; L19-T23 VanDerWaalsContact O-N 3.1Å; L19-T23 PolarHBondContact O-OG1 3.16Å; T23-F25 HydrophobicContact CG2-CD2 4.34Å; T23-F25 PolarHBondContact O-N 3.09Å; T23-F25 WeakPolarHBondContact OG1-CD2 3.42Å; T23-F25 PolarHBondContact OG1-N 3.26Å; T23-L90 HydrophobicContact CG2-CD2 3.97Å; T23-N93 WeakPolarHBondContact CA-OD1 3.45Å; T23-N93 WeakPolarHBondContact CB-OD1 3.4Å; T23-N93 HydrophobicContact CG2-CB 3.89Å
24H88.5Confident94.4Very high130 Ų13079.3 Ų79.360%0.60237%0.366SS*.SBendtrans-79.87.4173.5-55.5-56.8000113.3N93H24-N93 PolarHBondContact CD2-OD1 2.92Å; H24-N93 PolarHBondContact N-OD1 3.08Å
25F92.7Very high94.4Very high36 Ų3676.9 Ų76.916%0.15836%0.359CS..  trans-85.2132.8-176.9-64.3-62000113.1T23 Q29 I30 W33 L89 I92 N93T23-F25 HydrophobicContact CG2-CD2 4.34Å; T23-F25 PolarHBondContact O-N 3.09Å; T23-F25 WeakPolarHBondContact OG1-CD2 3.42Å; T23-F25 PolarHBondContact OG1-N 3.26Å; F25-Q29 HydrophobicContact CB-CB 4.15Å; F25-Q29 HydrophobicContact CD1-CB 4.01Å; F25-Q29 HydrophobicContact CG-CB 4.47Å; F25-I30 HydrophobicContact CB-CD1 4.35Å; F25-I30 HydrophobicContact CB-CG1 3.67Å; F25-W33 AromaticContact CE1-NE1 3.65Å; F25-W33 AromaticContact CZ-NE1 3.86Å; F25-L89 HydrophobicContact CD2-CD1 3.73Å; F25-L89 HydrophobicContact CD2-CD2 3.98Å; F25-L89 HydrophobicContact CD2-CG 3.74Å; F25-L89 HydrophobicContact CE2-CD1 3.56Å; F25-L89 HydrophobicContact CE2-CG 3.88Å; F25-L89 HydrophobicContact CZ-CD1 4.27Å; F25-I92 HydrophobicContact CE2-CG2 4.45Å; F25-I92 HydrophobicContact CZ-CG2 4.01Å; F25-N93 HydrophobicContact CE2-CB 4.07Å
26T94.3Very high94.4Very high71 Ų7175.3 Ų75.344%0.43635%0.354SS..  trans-66.8156.7168.264.80000111.2R28 Q29 I30T26-R28 PolarHBondContact O-N 3.21Å; T26-Q29 PolarHBondContact O-N 2.93Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.31Å; T26-Q29 PolarHBondContact OG1-N 2.8Å; T26-Q29 PolarHBondContact OG1-OE1 2.93Å; T26-I30 WeakPolarHBondContact O-CG1 3.41Å; T26-I30 PolarHBondContact O-N 3.41Å
27K95.4Very high94.2Very high111 Ų11174.7 Ų74.748%0.48335%0.35SS..Hα-helixtrans-48-34.9171.3-177.8171.1177.8177.20113.3L16 K20 K31L16-K27 HydrophobicContact CD1-CG 4.24Å; L16-K27 HydrophobicContact CD2-CD 4.36Å; L16-K27 HydrophobicContact CD2-CG 4.16Å; K20-K27 HydrophobicContact CD-CB 4.04Å; K27-K31 WeakPolarHBondContact O-CG 3.42Å; K27-K31 PolarHBondContact O-N 2.95Å
28R95.6Very high94.1Very high183 Ų18372.7 Ų72.769%0.69134%0.336SS*.Hα-helixtrans-71.2-46.8178.8-176.2177.366.8179.8-1.2111.1T26 K31 Q32T26-R28 PolarHBondContact O-N 3.21Å; R28-K31 PolarHBondContact O-N 3.45Å; R28-Q32 WeakPolarHBondContact O-CG 3.42Å; R28-Q32 PolarHBondContact O-N 3.23Å
29Q95.1Very high93.9Very high69 Ų6977.6 Ų77.632%0.32235%0.353SS..Hα-helixtrans-62.8-44.6177.6-74.9160.5-55.200111.5F25 T26 K31 Q32 W33F25-Q29 HydrophobicContact CB-CB 4.15Å; F25-Q29 HydrophobicContact CD1-CB 4.01Å; F25-Q29 HydrophobicContact CG-CB 4.47Å; T26-Q29 PolarHBondContact O-N 2.93Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.31Å; T26-Q29 PolarHBondContact OG1-N 2.8Å; T26-Q29 PolarHBondContact OG1-OE1 2.93Å; Q29-K31 VanDerWaalsContact C-N 3.29Å; Q29-K31 PolarHBondContact O-N 3.23Å; Q29-Q32 WeakPolarHBondContact O-CB 3.38Å; Q29-Q32 PolarHBondContact O-N 3.32Å; Q29-W33 PolarHBondContact O-N 3.2Å
30I96.4Very high93.6Very high0 Ų082.3 Ų82.30%038%0.378CS..Hα-helixtrans-56-45.5177-62.7166000110.6L11 L16 L19 K20 F25 T26 Q32 W33 Y34 F85 L89L11-I30 HydrophobicContact CD2-CG2 3.7Å; L16-I30 HydrophobicContact CD1-CB 3.99Å; L16-I30 HydrophobicContact CD1-CD1 4.02Å; L16-I30 HydrophobicContact CD1-CG2 3.66Å; L19-I30 HydrophobicContact CB-CD1 3.81Å; L19-I30 HydrophobicContact CB-CG1 4.4Å; L19-I30 HydrophobicContact CB-CG2 4.43Å; L19-I30 HydrophobicContact CD1-CG2 3.92Å; K20-I30 HydrophobicContact CB-CD1 4.39Å; K20-I30 HydrophobicContact CG-CD1 3.52Å; F25-I30 HydrophobicContact CB-CD1 4.35Å; F25-I30 HydrophobicContact CB-CG1 3.67Å; T26-I30 WeakPolarHBondContact O-CG1 3.41Å; T26-I30 PolarHBondContact O-N 3.41Å; I30-Q32 VanDerWaalsContact C-N 3.34Å; I30-Q32 PolarHBondContact O-N 3.01Å; I30-W33 PolarHBondContact O-N 2.99Å; I30-Y34 WeakPolarHBondContact O-CB 3.41Å; I30-Y34 PolarHBondContact O-N 2.72Å; I30-F85 HydrophobicContact CG2-CE1 3.95Å; I30-F85 HydrophobicContact CG2-CZ 4.23Å; I30-F85 WeakPolarHBondContact O-CZ 3.45Å; I30-L89 HydrophobicContact CB-CD2 4.18Å; I30-L89 HydrophobicContact CG1-CD2 3.8Å; I30-L89 HydrophobicContact CG2-CD2 3.93Å
31K94.9Very high93.4Very high106 Ų10677.9 Ų77.946%0.46136%0.361SS..Hα-helixtrans-65.2-34.7176.9-74.2-177.9174.1-166.10113.3K27 R28 Q29 N35K27-K31 WeakPolarHBondContact O-CG 3.42Å; K27-K31 PolarHBondContact O-N 2.95Å; R28-K31 PolarHBondContact O-N 3.45Å; Q29-K31 VanDerWaalsContact C-N 3.29Å; Q29-K31 PolarHBondContact O-N 3.23Å; K31-N35 VanDerWaalsContact O-CG 3.22Å; K31-N35 PolarHBondContact O-N 3.34Å; K31-N35 VanDerWaalsContact O-N 3.09Å; K31-N35 PolarHBondContact O-ND2 2.84Å
32Q94.9Very high93.2Very high117 Ų11776.2 Ų76.255%0.54736%0.362SS..Hα-helixtrans-66.4-48.1176.1-73.9170.8-31.100110.8R28 Q29 I30 Y34 N35 G36R28-Q32 WeakPolarHBondContact O-CG 3.42Å; R28-Q32 PolarHBondContact O-N 3.23Å; Q29-Q32 WeakPolarHBondContact O-CB 3.38Å; Q29-Q32 PolarHBondContact O-N 3.32Å; I30-Q32 VanDerWaalsContact C-N 3.34Å; I30-Q32 PolarHBondContact O-N 3.01Å; Q32-Y34 VanDerWaalsContact C-N 3.32Å; Q32-Y34 PolarHBondContact O-N 3.32Å; Q32-N35 PolarHBondContact O-N 3.45Å; Q32-G36 PolarHBondContact O-N 3.43Å; Q32-G36 VanDerWaalsContact O-N 3.09Å
33W94.6Very high93.1Very high98 Ų9875.7 Ų75.737%0.37136%0.364SS..Hα-helixtrans-57-44.6172.8-81.2115.8000112F25 Q29 I30 N35 G36 F37 F85 F88 L89 I92F25-W33 AromaticContact CE1-NE1 3.65Å; F25-W33 AromaticContact CZ-NE1 3.86Å; Q29-W33 PolarHBondContact O-N 3.2Å; I30-W33 PolarHBondContact O-N 2.99Å; W33-N35 VanDerWaalsContact C-N 3.34Å; W33-N35 PolarHBondContact O-N 3.45Å; W33-G36 PolarHBondContact O-N 2.88Å; W33-F37 WeakPolarHBondContact O-CB 3.21Å; W33-F37 PolarHBondContact O-N 3.42Å; W33-F85 HydrophobicContact CB-CE2 3.94Å; W33-F85 HydrophobicContact CB-CZ 3.97Å; W33-F88 HydrophobicContact CD2-CE1 4.49Å; W33-F88 AromaticContact CE3-CE1 3.69Å; W33-F88 HydrophobicContact CE3-CE1 3.69Å; W33-F88 AromaticContact CE3-CZ 3.97Å; W33-F88 HydrophobicContact CE3-CZ 3.97Å; W33-F88 HydrophobicContact CZ3-CE1 4.02Å; W33-F88 AromaticContact CZ3-CZ 3.8Å; W33-F88 HydrophobicContact CZ3-CZ 3.8Å; W33-L89 HydrophobicContact CB-CD1 3.86Å; W33-L89 HydrophobicContact CD2-CD1 4.15Å; W33-L89 HydrophobicContact CG-CD1 3.62Å; W33-I92 HydrophobicContact CH2-CG2 4.21Å; W33-I92 HydrophobicContact CZ2-CG2 3.91Å
34Y95.1Very high93.1Very high26 Ų2675.6 Ų75.610%0.10237%0.366CS..Hα-helixtrans-58.4-45.3178-172.6-106.5000112.4K9 K10 L11 I30 Q32 G36 F37 I38 F85K9-Y34 PolarHBondContact O-OH 3.22Å; K10-Y34 VanDerWaalsContact C-OH 3.28Å; L11-Y34 HydrophobicContact CB-CD1 3.99Å; L11-Y34 HydrophobicContact CB-CD2 3.98Å; L11-Y34 HydrophobicContact CB-CE1 3.94Å; L11-Y34 HydrophobicContact CB-CE2 3.93Å; L11-Y34 HydrophobicContact CB-CG 3.99Å; L11-Y34 HydrophobicContact CD1-CD2 4Å; L11-Y34 HydrophobicContact CD1-CE2 4.06Å; L11-Y34 HydrophobicContact CD2-CG 4.44Å; L11-Y34 HydrophobicContact CG-CD2 4.4Å; L11-Y34 VanDerWaalsContact N-CZ 3.33Å; L11-Y34 PolarHBondContact N-OH 3.21Å; I30-Y34 WeakPolarHBondContact O-CB 3.41Å; I30-Y34 PolarHBondContact O-N 2.72Å; Q32-Y34 VanDerWaalsContact C-N 3.32Å; Q32-Y34 PolarHBondContact O-N 3.32Å; Y34-G36 VanDerWaalsContact C-N 3.33Å; Y34-G36 PolarHBondContact O-N 3.2Å; Y34-F37 PolarHBondContact O-N 3.32Å; Y34-I38 HydrophobicContact CD1-CG1 4.15Å; Y34-I38 HydrophobicContact CD2-CG1 4.29Å; Y34-I38 HydrophobicContact CE1-CD1 4.49Å; Y34-I38 HydrophobicContact CE1-CG1 3.74Å; Y34-I38 HydrophobicContact CE2-CD1 4.04Å; Y34-I38 HydrophobicContact CE2-CG1 3.91Å; Y34-I38 HydrophobicContact CG-CG1 4.42Å; Y34-I38 WeakPolarHBondContact O-CG1 3.27Å; Y34-I38 PolarHBondContact O-N 3.44Å; Y34-F85 VanDerWaalsContact CA-CZ 3.48Å; Y34-F85 HydrophobicContact CD2-CB 4.16Å; Y34-F85 AromaticContact CD2-CD1 3.47Å; Y34-F85 HydrophobicContact CD2-CD1 3.47Å; Y34-F85 VanDerWaalsContact CD2-CD1 3.47Å; Y34-F85 AromaticContact CD2-CD2 3.86Å; Y34-F85 HydrophobicContact CD2-CD2 3.86Å; Y34-F85 AromaticContact CD2-CE1 3.73Å; Y34-F85 HydrophobicContact CD2-CE1 3.73Å; Y34-F85 HydrophobicContact CD2-CE2 4.13Å; Y34-F85 AromaticContact CD2-CG 3.51Å; Y34-F85 HydrophobicContact CD2-CG 3.51Å; Y34-F85 HydrophobicContact CD2-CZ 4.05Å; Y34-F85 HydrophobicContact CE2-CB 4.23Å; Y34-F85 HydrophobicContact CE2-CD1 4.13Å; Y34-F85 HydrophobicContact CE2-CG 4.07Å; Y34-F85 HydrophobicContact CG-CD1 4.46Å; Y34-F85 HydrophobicContact CG-CE1 4.31Å; Y34-F85 HydrophobicContact CG-CZ 4.37Å; Y34-F85 VanDerWaalsContact N-CE2 3.28Å; Y34-F85 VanDerWaalsContact N-CZ 3.32Å
35N93.7Very high93.3Very high110 Ų11072.6 Ų72.659%0.58835%0.352SS*.Hα-helixtrans-64.2-38.9178.5-69.3-26.7000112K31 Q32 W33 R39K31-N35 VanDerWaalsContact O-CG 3.22Å; K31-N35 PolarHBondContact O-N 3.34Å; K31-N35 VanDerWaalsContact O-N 3.09Å; K31-N35 PolarHBondContact O-ND2 2.84Å; Q32-N35 PolarHBondContact O-N 3.45Å; W33-N35 VanDerWaalsContact C-N 3.34Å; W33-N35 PolarHBondContact O-N 3.45Å; N35-R39 WeakPolarHBondContact O-CB 3.09Å; N35-R39 PolarHBondContact O-N 3.3Å; N35-R39 VanDerWaalsContact O-N 3.15Å
36G93.4Very high93.3Very high16 Ų1671.8 Ų71.817%0.16535%0.35CS..Hα-helixtrans-64.4-47.8173.400000111.8Q32 W33 Y34 I38 R39 D40Q32-G36 PolarHBondContact O-N 3.43Å; Q32-G36 VanDerWaalsContact O-N 3.09Å; W33-G36 PolarHBondContact O-N 2.88Å; Y34-G36 VanDerWaalsContact C-N 3.33Å; Y34-G36 PolarHBondContact O-N 3.2Å; G36-I38 PolarHBondContact O-N 3.02Å; G36-R39 WeakPolarHBondContact O-CB 3Å; G36-R39 PolarHBondContact O-N 3.07Å; G36-R39 VanDerWaalsContact O-N 3.14Å; G36-D40 PolarHBondContact O-N 3.33Å
37F92.7Very high93.3Very high10 Ų1070.3 Ų70.34%0.04434%0.342CS..Hα-helixtrans-61.2-44.8-179.8-172.2-95.2000112.5W33 Y34 R39 D40 C41 L46 F85 F88W33-F37 WeakPolarHBondContact O-CB 3.21Å; W33-F37 PolarHBondContact O-N 3.42Å; Y34-F37 PolarHBondContact O-N 3.32Å; F37-R39 VanDerWaalsContact C-N 3.31Å; F37-R39 PolarHBondContact O-N 3.35Å; F37-D40 PolarHBondContact O-N 2.91Å; F37-C41 HydrophobicContact CE1-CB 4.3Å; F37-C41 HydrophobicContact CZ-CB 4.44Å; F37-C41 WeakPolarHBondContact O-CA 3.42Å; F37-C41 WeakPolarHBondContact O-CB 3.36Å; F37-C41 PolarHBondContact O-N 3.26Å; F37-L46 HydrophobicContact CE2-CB 4.03Å; F37-L46 HydrophobicContact CZ-CB 4.01Å; F37-F85 HydrophobicContact CB-CD2 3.68Å; F37-F85 HydrophobicContact CB-CE2 4.05Å; F37-F85 HydrophobicContact CD1-CB 3.99Å; F37-F85 AromaticContact CD1-CD2 3.9Å; F37-F85 HydrophobicContact CD1-CD2 3.9Å; F37-F85 HydrophobicContact CD1-CG 4.42Å; F37-F85 HydrophobicContact CD2-CD2 4.36Å; F37-F85 HydrophobicContact CE1-CB 4.04Å; F37-F85 AromaticContact CG-CD2 3.74Å; F37-F85 HydrophobicContact CG-CD2 3.74Å; F37-F88 HydrophobicContact CD2-CB 4.16Å; F37-F88 AromaticContact CD2-CD1 3.64Å; F37-F88 HydrophobicContact CD2-CD1 3.64Å; F37-F88 HydrophobicContact CD2-CD2 4.2Å; F37-F88 HydrophobicContact CD2-CE1 4.07Å; F37-F88 AromaticContact CD2-CG 3.71Å; F37-F88 HydrophobicContact CD2-CG 3.71Å; F37-F88 HydrophobicContact CE2-CB 3.72Å; F37-F88 HydrophobicContact CE2-CD1 4.09Å; F37-F88 HydrophobicContact CE2-CD2 4.08Å; F37-F88 AromaticContact CE2-CG 3.68Å; F37-F88 HydrophobicContact CE2-CG 3.68Å; F37-F88 HydrophobicContact CG-CD1 4.42Å; F37-F88 HydrophobicContact CZ-CB 4.39Å
38I93.4Very high93.1Very high26 Ų2668.6 Ų68.613%0.13333%0.334CS..Hα-helixtrans-69.8-28.8177-63-60.3000112.1Y34 G36 C41 P42Y34-I38 HydrophobicContact CD1-CG1 4.15Å; Y34-I38 HydrophobicContact CD2-CG1 4.29Å; Y34-I38 HydrophobicContact CE1-CD1 4.49Å; Y34-I38 HydrophobicContact CE1-CG1 3.74Å; Y34-I38 HydrophobicContact CE2-CD1 4.04Å; Y34-I38 HydrophobicContact CE2-CG1 3.91Å; Y34-I38 HydrophobicContact CG-CG1 4.42Å; Y34-I38 WeakPolarHBondContact O-CG1 3.27Å; Y34-I38 PolarHBondContact O-N 3.44Å; G36-I38 PolarHBondContact O-N 3.02Å; I38-C41 CarbonylContact O-C 3.45Å; I38-P42 VanDerWaalsContact O-CA 3.25Å; I38-P42 WeakPolarHBondContact O-CA 3.02Å
39R91.9Very high92.9Very high179 Ų17966.9 Ų66.968%0.67533%0.332SS*.Hα-helixtrans-65.4-43.1173.3-179.5-167.565.6-153.6-8110.7N35 G36 F37N35-R39 WeakPolarHBondContact O-CB 3.09Å; N35-R39 PolarHBondContact O-N 3.3Å; N35-R39 VanDerWaalsContact O-N 3.15Å; G36-R39 WeakPolarHBondContact O-CB 3Å; G36-R39 PolarHBondContact O-N 3.07Å; G36-R39 VanDerWaalsContact O-N 3.14Å; F37-R39 VanDerWaalsContact C-N 3.31Å; F37-R39 PolarHBondContact O-N 3.35Å
40D88.5Confident92.7Very high100 Ų10068 Ų6854%0.53534%0.336SS..Hα-helixtrans-87.5-28.5-174-57.1-15.9000111.7G36 F37G36-D40 PolarHBondContact O-N 3.33Å; F37-D40 PolarHBondContact O-N 2.91Å
41C90.5Very high92.4Very high14 Ų1468.8 Ų68.810%0.09534%0.339CS..  trans-126.379.1174.9-620000110.9F37 I38 S43 G44F37-C41 HydrophobicContact CE1-CB 4.3Å; F37-C41 HydrophobicContact CZ-CB 4.44Å; F37-C41 WeakPolarHBondContact O-CA 3.42Å; F37-C41 WeakPolarHBondContact O-CB 3.36Å; F37-C41 PolarHBondContact O-N 3.26Å; I38-C41 CarbonylContact O-C 3.45Å; C41-S43 PolarHBondContact O-N 2.95Å; C41-G44 PolarHBondContact O-N 3.2Å
42P91.1Very high92.2Very high107 Ų10765 Ų6570%0.69532%0.324SS*.THydrogen-bonded Turntrans-58.2-21.8-176.2-27.636.2000115.8I38 G44I38-P42 VanDerWaalsContact O-CA 3.25Å; I38-P42 WeakPolarHBondContact O-CA 3.02Å; P42-G44 PolarHBondContact O-N 3.3Å
43S90.7Very high91.9Very high68 Ų6863.7 Ų63.748%0.47632%0.318SS..THydrogen-bonded Turntrans-67.7-20.117353.80000113.6K9 C41 Q45K9-S43 PolarHBondContact NZ-O 3.19Å; K9-S43 VanDerWaalsContact NZ-O 3.15Å; C41-S43 PolarHBondContact O-N 2.95Å; S43-Q45 PolarHBondContact OG-N 3.19Å; S43-Q45 PolarHBondContact OG-O 3.5Å; S43-Q45 VanDerWaalsContact OG-O 3.07Å
44G92Very high91.4Very high11 Ų1162.4 Ų62.411%0.11332%0.321CS..SBendtrans80.516-16800000114.2C41 P42C41-G44 PolarHBondContact O-N 3.2Å; P42-G44 PolarHBondContact O-N 3.3Å
45Q93.1Very high90.7Very high67 Ų6764.3 Ų64.331%0.31333%0.328SS..EExtended strand (participates in β ladder)trans-143.6135.9-179.7-71.1179.3-47.900110.8S43 R82 I83S43-Q45 PolarHBondContact OG-N 3.19Å; S43-Q45 PolarHBondContact OG-O 3.5Å; S43-Q45 VanDerWaalsContact OG-O 3.07Å; Q45-R82 HydrophobicContact CB-CB 4.21Å; Q45-R82 HydrophobicContact CG-CB 4.45Å; Q45-I83 WeakPolarHBondContact CA-O 3.47Å
46L92.8Very high90.4Very high19 Ų1961.3 Ų61.310%0.09932%0.316CS..EExtended strand (participates in β ladder)trans-92.5117.6173.6178.164.4000109.6F37 K50 F51 I83F37-L46 HydrophobicContact CE2-CB 4.03Å; F37-L46 HydrophobicContact CZ-CB 4.01Å; L46-K50 HydrophobicContact CD1-CB 3.76Å; L46-K50 HydrophobicContact CD1-CG 3.63Å; L46-F51 HydrophobicContact CD2-CB 4.37Å; L46-F51 HydrophobicContact CD2-CD2 3.86Å; L46-F51 HydrophobicContact CG-CB 4.43Å; L46-I83 HydrophobicContact CB-CB 4.24Å; L46-I83 PolarHBondContact N-O 3.37Å; L46-I83 PolarHBondContact O-N 3.2Å
47S92.6Very high89.9Confident39 Ų3963.4 Ų63.427%0.27334%0.337SS..EExtended strand (participates in β ladder)trans-77.3150.217665.70000111.8K49 K50 F51S47-K49 VanDerWaalsContact C-N 3.27Å; S47-K49 PolarHBondContact O-N 2.97Å; S47-K50 PolarHBondContact O-N 3.41Å; S47-K50 WeakPolarHBondContact OG-CB 3.33Å; S47-K50 PolarHBondContact OG-N 3.3Å; S47-F51 PolarHBondContact O-N 3.43Å
48K92.5Very high89.3Confident75 Ų7570.3 Ų70.333%0.32637%0.368SS..Hα-helixtrans-49.2-44.3171.8-174.8176.7178-179.20113.6K50 F51 I52 T69 F72K48-K50 PolarHBondContact O-N 2.95Å; K48-F51 WeakPolarHBondContact O-CB 3.34Å; K48-F51 PolarHBondContact O-N 2.78Å; K48-I52 HydrophobicContact CG-CD1 3.86Å; K48-I52 WeakPolarHBondContact O-CG1 3.21Å; K48-I52 PolarHBondContact O-N 3.24Å; K48-T69 WeakPolarHBondContact CE-OG1 3.35Å; K48-T69 PolarHBondContact NZ-OG1 3.27Å; K48-F72 VanDerWaalsContact CA-CE2 3.41Å; K48-F72 HydrophobicContact CB-CD1 4.34Å; K48-F72 HydrophobicContact CB-CD2 4.06Å; K48-F72 HydrophobicContact CB-CE1 4.17Å; K48-F72 HydrophobicContact CB-CE2 3.88Å; K48-F72 HydrophobicContact CB-CG 4.28Å; K48-F72 HydrophobicContact CB-CZ 3.92Å; K48-F72 HydrophobicContact CG-CD1 4.43Å; K48-F72 HydrophobicContact CG-CD2 4.25Å; K48-F72 HydrophobicContact CG-CG 4.18Å
49K91.8Very high88.6Confident148 Ų14872.5 Ų72.564%0.64338%0.376SS*.Hα-helixtrans-56.1-49.5176.3-178.8179.7177.2-179.90111.8S47 F51 I52 E53S47-K49 VanDerWaalsContact C-N 3.27Å; S47-K49 PolarHBondContact O-N 2.97Å; K49-F51 VanDerWaalsContact C-N 3.31Å; K49-F51 PolarHBondContact O-N 2.9Å; K49-I52 PolarHBondContact O-N 3.48Å; K49-E53 VanDerWaalsContact CE-OE1 3.22Å; K49-E53 WeakPolarHBondContact CE-OE1 3.36Å; K49-E53 WeakPolarHBondContact O-CG 3.3Å; K49-E53 PolarHBondContact O-N 2.83Å
50K90.2Very high88.1Confident91 Ų9168.3 Ų68.340%0.39637%0.372SS..Hα-helixtrans-65.5-36179.8-172.857.2177174.50112.3L46 S47 K48 E53 V54L46-K50 HydrophobicContact CD1-CB 3.76Å; L46-K50 HydrophobicContact CD1-CG 3.63Å; S47-K50 PolarHBondContact O-N 3.41Å; S47-K50 WeakPolarHBondContact OG-CB 3.33Å; S47-K50 PolarHBondContact OG-N 3.3Å; K48-K50 PolarHBondContact O-N 2.95Å; K50-E53 VanDerWaalsContact CD-OE2 3.26Å; K50-E53 WeakPolarHBondContact CD-OE2 3.29Å; K50-E53 IonicContact NZ-OE2 2.72Å; K50-E53 PolarHBondContact NZ-OE2 2.86Å; K50-E53 VanDerWaalsContact NZ-OE2 3.16Å; K50-E53 PolarHBondContact O-N 2.63Å; K50-V54 WeakPolarHBondContact O-CG2 3.14Å; K50-V54 PolarHBondContact O-N 2.75Å
51F90.1Very high87.8Confident17 Ų1770.2 Ų70.28%0.07538%0.382CS..Hα-helixtrans-61.4-49.1174.2-174.4-96.4000111.4L46 S47 K48 K49 E53 V54 Y55 C68 V71 F72 F75 I83L46-F51 HydrophobicContact CD2-CB 4.37Å; L46-F51 HydrophobicContact CD2-CD2 3.86Å; L46-F51 HydrophobicContact CG-CB 4.43Å; S47-F51 PolarHBondContact O-N 3.43Å; K48-F51 WeakPolarHBondContact O-CB 3.34Å; K48-F51 PolarHBondContact O-N 2.78Å; K49-F51 VanDerWaalsContact C-N 3.31Å; K49-F51 PolarHBondContact O-N 2.9Å; F51-E53 PolarHBondContact O-N 2.86Å; F51-V54 PolarHBondContact O-N 3.42Å; F51-Y55 HydrophobicContact CD1-CD2 4.28Å; F51-Y55 HydrophobicContact CD1-CE2 4.5Å; F51-Y55 HydrophobicContact CD2-CE2 4.38Å; F51-Y55 AromaticContact CE1-CD2 3.84Å; F51-Y55 HydrophobicContact CE1-CD2 3.84Å; F51-Y55 AromaticContact CE1-CE2 3.73Å; F51-Y55 HydrophobicContact CE1-CE2 3.73Å; F51-Y55 HydrophobicContact CE2-CD2 4.19Å; F51-Y55 AromaticContact CE2-CE2 3.61Å; F51-Y55 HydrophobicContact CE2-CE2 3.61Å; F51-Y55 AromaticContact CZ-CD2 3.79Å; F51-Y55 HydrophobicContact CZ-CD2 3.79Å; F51-Y55 AromaticContact CZ-CE2 3.21Å; F51-Y55 HydrophobicContact CZ-CE2 3.21Å; F51-Y55 AromaticContact CZ-CZ 3.88Å; F51-Y55 PolarHBondContact O-N 3.11Å; F51-C68 HydrophobicContact CD1-CB 4.03Å; F51-C68 HydrophobicContact CE1-CB 4.04Å; F51-V71 HydrophobicContact CE1-CB 4.15Å; F51-V71 HydrophobicContact CE1-CG1 3.92Å; F51-V71 HydrophobicContact CZ-CB 4.26Å; F51-V71 HydrophobicContact CZ-CG1 3.52Å; F51-F72 HydrophobicContact CB-CD2 3.96Å; F51-F72 HydrophobicContact CB-CE2 4.3Å; F51-F72 HydrophobicContact CD1-CB 4.33Å; F51-F72 HydrophobicContact CD1-CD2 4.11Å; F51-F72 HydrophobicContact CE1-CB 4.49Å; F51-F72 AromaticContact CG-CD2 3.95Å; F51-F72 HydrophobicContact CG-CD2 3.95Å; F51-F75 HydrophobicContact CZ-CE2 4.41Å; F51-I83 HydrophobicContact CD2-CD1 4.42Å
52I90.2Very high87.5Confident26 Ų2670.8 Ų70.813%0.13339%0.391CS..Hα-helixtrans-60.4-43.4175.9-66.1159.8000111.4K48 K49 V54 Y55 S56 E65 C68K48-I52 HydrophobicContact CG-CD1 3.86Å; K48-I52 WeakPolarHBondContact O-CG1 3.21Å; K48-I52 PolarHBondContact O-N 3.24Å; K49-I52 PolarHBondContact O-N 3.48Å; I52-V54 VanDerWaalsContact C-N 3.27Å; I52-V54 PolarHBondContact O-N 3.5Å; I52-Y55 PolarHBondContact O-N 3.01Å; I52-S56 VanDerWaalsContact O-CB 3.31Å; I52-S56 WeakPolarHBondContact O-CB 3.09Å; I52-S56 PolarHBondContact O-N 2.95Å; I52-S56 PolarHBondContact O-OG 3.48Å; I52-E65 HydrophobicContact CD1-CG 4.15Å; I52-E65 HydrophobicContact CG2-CB 4.39Å; I52-C68 HydrophobicContact CB-CB 4.47Å; I52-C68 HydrophobicContact CG1-CB 3.61Å
53E89.2Confident87.4Confident90 Ų9069.1 Ų69.142%0.42138%0.376SS..Hα-helixtrans-56.4-40.3177.3-77.2173.1-16700112.4K49 K50 F51 G57K49-E53 VanDerWaalsContact CE-OE1 3.22Å; K49-E53 WeakPolarHBondContact CE-OE1 3.36Å; K49-E53 WeakPolarHBondContact O-CG 3.3Å; K49-E53 PolarHBondContact O-N 2.83Å; K50-E53 VanDerWaalsContact CD-OE2 3.26Å; K50-E53 WeakPolarHBondContact CD-OE2 3.29Å; K50-E53 IonicContact NZ-OE2 2.72Å; K50-E53 PolarHBondContact NZ-OE2 2.86Å; K50-E53 VanDerWaalsContact NZ-OE2 3.16Å; K50-E53 PolarHBondContact O-N 2.63Å; F51-E53 PolarHBondContact O-N 2.86Å; E53-G57 PolarHBondContact O-N 2.83Å
54V84Confident87.3Confident72 Ų7266 Ų6644%0.43635%0.354SS..Hα-helixtrans-67.3-50.3179.1170.80000110.6K50 F51 I52 S56 G57 F58K50-V54 WeakPolarHBondContact O-CG2 3.14Å; K50-V54 PolarHBondContact O-N 2.75Å; F51-V54 PolarHBondContact O-N 3.42Å; I52-V54 VanDerWaalsContact C-N 3.27Å; I52-V54 PolarHBondContact O-N 3.5Å; V54-S56 PolarHBondContact O-N 3.31Å; V54-G57 PolarHBondContact O-N 2.87Å; V54-F58 HydrophobicContact CG1-CD2 4.46Å; V54-F58 HydrophobicContact CG1-CE2 3.83Å; V54-F58 WeakPolarHBondContact O-CD2 3.49Å
55Y80.6Confident87.3Confident66 Ų6670.5 Ų70.526%0.25937%0.372SS..Hα-helixtrans-64.2-40.1179.7-91.8-99.3000113F51 I52 G57 F58 F59 C68F51-Y55 HydrophobicContact CD1-CD2 4.28Å; F51-Y55 HydrophobicContact CD1-CE2 4.5Å; F51-Y55 HydrophobicContact CD2-CE2 4.38Å; F51-Y55 AromaticContact CE1-CD2 3.84Å; F51-Y55 HydrophobicContact CE1-CD2 3.84Å; F51-Y55 AromaticContact CE1-CE2 3.73Å; F51-Y55 HydrophobicContact CE1-CE2 3.73Å; F51-Y55 HydrophobicContact CE2-CD2 4.19Å; F51-Y55 AromaticContact CE2-CE2 3.61Å; F51-Y55 HydrophobicContact CE2-CE2 3.61Å; F51-Y55 AromaticContact CZ-CD2 3.79Å; F51-Y55 HydrophobicContact CZ-CD2 3.79Å; F51-Y55 AromaticContact CZ-CE2 3.21Å; F51-Y55 HydrophobicContact CZ-CE2 3.21Å; F51-Y55 AromaticContact CZ-CZ 3.88Å; F51-Y55 PolarHBondContact O-N 3.11Å; I52-Y55 PolarHBondContact O-N 3.01Å; Y55-G57 PolarHBondContact O-N 2.97Å; Y55-F58 PolarHBondContact O-N 2.86Å; Y55-F59 HydrophobicContact CD1-CE2 4.43Å; Y55-F59 PolarHBondContact O-N 3.15Å; Y55-C68 WeakPolarHBondContact CB-SG 3.43Å; Y55-C68 VanDerWaalsContact CG-SG 3.52Å
56S86.2Confident87.2Confident46 Ų4673 Ų7332%0.32238%0.382SS..Hα-helixtrans-62.4-26177.2-53.80000112I52 V54 F58 F59I52-S56 VanDerWaalsContact O-CB 3.31Å; I52-S56 WeakPolarHBondContact O-CB 3.09Å; I52-S56 PolarHBondContact O-N 2.95Å; I52-S56 PolarHBondContact O-OG 3.48Å; V54-S56 PolarHBondContact O-N 3.31Å; S56-F58 VanDerWaalsContact C-N 3.32Å; S56-F59 CarbonylContact O-C 3.38Å
57G84.4Confident87.1Confident60 Ų6073.4 Ų73.462%0.61938%0.383SS*.Hα-helixtrans-70.1-24.3172.700000114.3E53 V54 Y55E53-G57 PolarHBondContact O-N 2.83Å; V54-G57 PolarHBondContact O-N 2.87Å; Y55-G57 PolarHBondContact O-N 2.97Å
58F80.6Confident87.1Confident156 Ų15671.5 Ų71.568%0.68437%0.37SS*.Hα-helixtrans-87.2-28.2176-67.7-73.3000113V54 Y55 S56 P60V54-F58 HydrophobicContact CG1-CD2 4.46Å; V54-F58 HydrophobicContact CG1-CE2 3.83Å; V54-F58 WeakPolarHBondContact O-CD2 3.49Å; Y55-F58 PolarHBondContact O-N 2.86Å; S56-F58 VanDerWaalsContact C-N 3.32Å; F58-P60 VanDerWaalsContact O-CD 3.27Å; F58-P60 WeakPolarHBondContact O-CD 3.3Å
59F78.7Confident87.1Confident71 Ų7170 Ų7031%0.31137%0.367SS..  trans-119.664.9179.8-59.9-83.1000110.4Y55 S56 D61 G62 M134 L135Y55-F59 HydrophobicContact CD1-CE2 4.43Å; Y55-F59 PolarHBondContact O-N 3.15Å; S56-F59 CarbonylContact O-C 3.38Å; F59-D61 PolarHBondContact O-N 3.31Å; F59-G62 PolarHBondContact O-N 3.02Å; F59-M134 HydrophobicContact CB-CG 4.2Å; F59-M134 HydrophobicContact CD1-CG 4.23Å; F59-M134 HydrophobicContact CD2-CG 4.02Å; F59-M134 HydrophobicContact CD2-SD 3.97Å; F59-M134 HydrophobicContact CE1-CE 4.38Å; F59-M134 HydrophobicContact CE2-CE 4.35Å; F59-M134 HydrophobicContact CE2-CG 4.48Å; F59-M134 HydrophobicContact CE2-SD 3.92Å; F59-M134 HydrophobicContact CG-CG 3.89Å; F59-M134 HydrophobicContact CG-SD 4.39Å; F59-M134 HydrophobicContact CZ-CE 4.14Å; F59-M134 HydrophobicContact CZ-SD 4.3Å; F59-L135 HydrophobicContact CE1-CD2 4.22Å
60P80.9Confident87.2Confident92 Ų9263.4 Ų63.460%0.59734%0.339SS*.THydrogen-bonded Turntrans-65.2-26-172.727.7-36.1000113.4F58F58-P60 VanDerWaalsContact O-CD 3.27Å; F58-P60 WeakPolarHBondContact O-CD 3.3Å
61D82.2Confident87.3Confident139 Ų13959.1 Ų59.174%0.74332%0.32SS*.THydrogen-bonded Turntrans-89.3-7.6-175.7-56.4-46.6000113.2F59F59-D61 PolarHBondContact O-N 3.31Å
62G84.6Confident87.4Confident27 Ų2758.7 Ų58.728%0.27832%0.318SS..SBendtrans-118.1-172.5177.800000113.2F59 M134F59-G62 PolarHBondContact O-N 3.02Å; G62-M134 WeakPolarHBondContact CA-O 3.46Å
63N88.5Confident87.5Confident72 Ų7260.5 Ų60.539%0.38532%0.323SS..  trans-119.698.4173-178.7-6.7000110.2E65 S133 M134N63-E65 VanDerWaalsContact C-N 3.29Å; N63-E65 PolarHBondContact O-N 3.25Å; N63-E65 WeakPolarHBondContact OD1-CB 3.4Å; N63-E65 PolarHBondContact OD1-N 2.99Å; N63-S133 PolarHBondContact N-O 3.13Å; N63-S133 CarbonylContact O-C 3.44Å; N63-S133 PolarHBondContact O-OG 2.82Å; N63-M134 WeakPolarHBondContact O-CA 3.26Å; N63-M134 PolarHBondContact O-N 3.19Å
64A88Confident87.7Confident1 Ų156.5 Ų56.51%0.00831%0.305CS..  trans-77-6.9179.900000114.1K66 F67 C68 M134A64-K66 PolarHBondContact O-N 3.26Å; A64-F67 PolarHBondContact O-N 2.85Å; A64-C68 WeakPolarHBondContact O-CB 3.2Å; A64-C68 PolarHBondContact O-N 2.99Å; A64-C68 PolarHBondContact O-SG 3.36Å; A64-M134 HydrophobicContact CB-CG 3.88Å; A64-M134 HydrophobicContact CB-SD 4.33Å
65E92Very high88Confident107 Ų10753.8 Ų53.850%0.529%0.287SS..Hα-helixtrans-57.8-45.3-170-179.3174.5-167.600113.3I52 N63 T69I52-E65 HydrophobicContact CD1-CG 4.15Å; I52-E65 HydrophobicContact CG2-CB 4.39Å; N63-E65 VanDerWaalsContact C-N 3.29Å; N63-E65 PolarHBondContact O-N 3.25Å; N63-E65 WeakPolarHBondContact OD1-CB 3.4Å; N63-E65 PolarHBondContact OD1-N 2.99Å; E65-T69 PolarHBondContact O-N 2.95Å; E65-T69 PolarHBondContact O-OG1 3.32Å
66K92.1Very high88.7Confident118 Ų11851.1 Ų51.151%0.51328%0.277SS..Hα-helixtrans-66.9-49.4179.5-68.2-176178.3-178.80111A64 C68 T69 H70 A130A64-K66 PolarHBondContact O-N 3.26Å; K66-C68 VanDerWaalsContact C-N 3.34Å; K66-C68 PolarHBondContact O-N 3.02Å; K66-T69 WeakPolarHBondContact O-CA 3.22Å; K66-T69 VanDerWaalsContact O-CB 3.24Å; K66-T69 WeakPolarHBondContact O-CB 3.4Å; K66-T69 PolarHBondContact O-N 3.29Å; K66-H70 PolarHBondContact O-CD2 3Å; K66-H70 PolarHBondContact O-N 2.96Å; K66-A130 HydrophobicContact CB-CB 3.76Å
67F90.7Very high88.8Confident28 Ų2854.5 Ų54.512%0.12329%0.287CS..Hα-helixtrans-61-45.8179.5-176.7-102000111.2A64 T69 H70 V71 M110 A130 I131 M134A64-F67 PolarHBondContact O-N 2.85Å; F67-T69 PolarHBondContact O-N 3.07Å; F67-H70 PolarHBondContact O-N 3.06Å; F67-H70 VanDerWaalsContact O-N 3.11Å; F67-V71 HydrophobicContact CD1-CG2 3.86Å; F67-V71 HydrophobicContact CE1-CG2 3.49Å; F67-V71 VanDerWaalsContact CE1-CG2 3.49Å; F67-V71 HydrophobicContact CE2-CG2 4.4Å; F67-V71 HydrophobicContact CG-CG2 4.49Å; F67-V71 HydrophobicContact CZ-CG2 3.79Å; F67-V71 WeakPolarHBondContact O-CG2 3.42Å; F67-V71 PolarHBondContact O-N 2.76Å; F67-M110 HydrophobicContact CE2-SD 3.86Å; F67-M110 HydrophobicContact CZ-SD 4.17Å; F67-A130 HydrophobicContact CB-CB 4.22Å; F67-I131 HydrophobicContact CD2-CG1 3.7Å; F67-I131 HydrophobicContact CE2-CD1 4.34Å; F67-I131 HydrophobicContact CE2-CG1 3.71Å; F67-M134 HydrophobicContact CB-CB 4.21Å; F67-M134 HydrophobicContact CB-SD 3.98Å; F67-M134 HydrophobicContact CD1-CE 3.85Å; F67-M134 HydrophobicContact CD1-SD 3.28Å; F67-M134 WeakPolarHBondContact CD1-SD 3.37Å; F67-M134 HydrophobicContact CE1-CE 3.98Å; F67-M134 HydrophobicContact CE1-SD 3.9Å; F67-M134 HydrophobicContact CG-CE 4.15Å; F67-M134 HydrophobicContact CG-SD 3.75Å; F67-M134 HydrophobicContact CZ-CE 4.43Å
68C91.6Very high89.1Confident0 Ų056.3 Ų56.30%028%0.282CS..Hα-helixtrans-58.4-31.2174.2-70.80000112.9F51 I52 Y55 A64 K66 F72F51-C68 HydrophobicContact CD1-CB 4.03Å; F51-C68 HydrophobicContact CE1-CB 4.04Å; I52-C68 HydrophobicContact CB-CB 4.47Å; I52-C68 HydrophobicContact CG1-CB 3.61Å; Y55-C68 WeakPolarHBondContact CB-SG 3.43Å; Y55-C68 VanDerWaalsContact CG-SG 3.52Å; A64-C68 WeakPolarHBondContact O-CB 3.2Å; A64-C68 PolarHBondContact O-N 2.99Å; A64-C68 PolarHBondContact O-SG 3.36Å; K66-C68 VanDerWaalsContact C-N 3.34Å; K66-C68 PolarHBondContact O-N 3.02Å; C68-F72 WeakPolarHBondContact O-CB 3.38Å; C68-F72 PolarHBondContact O-N 3.43Å
69T93.2Very high89.6Confident42 Ų4254.9 Ų54.926%0.25828%0.281SS..Hα-helixtrans-65-45.3176.4-67.20000111.5K48 E65 K66 F67 F72 R73K48-T69 WeakPolarHBondContact CE-OG1 3.35Å; K48-T69 PolarHBondContact NZ-OG1 3.27Å; E65-T69 PolarHBondContact O-N 2.95Å; E65-T69 PolarHBondContact O-OG1 3.32Å; K66-T69 WeakPolarHBondContact O-CA 3.22Å; K66-T69 VanDerWaalsContact O-CB 3.24Å; K66-T69 WeakPolarHBondContact O-CB 3.4Å; K66-T69 PolarHBondContact O-N 3.29Å; F67-T69 PolarHBondContact O-N 3.07Å; T69-F72 PolarHBondContact O-N 2.82Å; T69-R73 PolarHBondContact O-N 3.12Å
70H93.2Very high90.3Very high11 Ų1154.1 Ų54.15%0.05129%0.285CS..Hα-helixtrans-68.2-44.1177.1-60.7-66.9000111.7K66 F67 F72 R73 T74 M110 E126 I127K66-H70 PolarHBondContact O-CD2 3Å; K66-H70 PolarHBondContact O-N 2.96Å; F67-H70 PolarHBondContact O-N 3.06Å; F67-H70 VanDerWaalsContact O-N 3.11Å; H70-F72 VanDerWaalsContact C-N 3.33Å; H70-F72 PolarHBondContact O-N 2.94Å; H70-R73 WeakPolarHBondContact O-CB 3.44Å; H70-R73 PolarHBondContact O-N 3.27Å; H70-T74 PolarHBondContact O-N 2.97Å; H70-T74 VanDerWaalsContact O-N 3.16Å; H70-M110 HydrophobicContact CB-CG 4.06Å; H70-E126 IonicContact CE1-OE1 3.27Å; H70-E126 PolarHBondContact CE1-OE1 3.15Å; H70-E126 IonicContact NE2-OE1 3.93Å; H70-I127 HydrophobicContact CB-CD1 3.73Å; H70-I127 VanDerWaalsContact CD2-CD1 3.45Å; H70-I127 WeakPolarHBondContact CD2-CD1 3.47Å; H70-I127 WeakPolarHBondContact ND1-CD1 3.39Å
71V91.6Very high90.9Very high1 Ų151.7 Ų51.71%0.00628%0.276CS..Hα-helixtrans-58-48174.8175.70000110.7F51 F67 R73 T74 F75 W106 M110F51-V71 HydrophobicContact CE1-CB 4.15Å; F51-V71 HydrophobicContact CE1-CG1 3.92Å; F51-V71 HydrophobicContact CZ-CB 4.26Å; F51-V71 HydrophobicContact CZ-CG1 3.52Å; F67-V71 HydrophobicContact CD1-CG2 3.86Å; F67-V71 HydrophobicContact CE1-CG2 3.49Å; F67-V71 VanDerWaalsContact CE1-CG2 3.49Å; F67-V71 HydrophobicContact CE2-CG2 4.4Å; F67-V71 HydrophobicContact CG-CG2 4.49Å; F67-V71 HydrophobicContact CZ-CG2 3.79Å; F67-V71 WeakPolarHBondContact O-CG2 3.42Å; F67-V71 PolarHBondContact O-N 2.76Å; V71-R73 VanDerWaalsContact C-N 3.32Å; V71-R73 PolarHBondContact O-N 3.33Å; V71-T74 PolarHBondContact O-N 3.11Å; V71-T74 VanDerWaalsContact O-N 3.12Å; V71-T74 PolarHBondContact O-OG1 3.35Å; V71-F75 HydrophobicContact CG1-CD2 3.89Å; V71-F75 HydrophobicContact CG1-CE2 3.33Å; V71-F75 HydrophobicContact CG1-CZ 3.91Å; V71-F75 PolarHBondContact O-N 2.79Å; V71-W106 HydrophobicContact CG1-CZ2 4.31Å; V71-M110 HydrophobicContact CG2-CE 3.78Å; V71-M110 HydrophobicContact CG2-SD 4.17Å
72F92.7Very high91.5Very high8 Ų850.6 Ų50.64%0.03526%0.262CS..Hα-helixtrans-58.5-43.8179.3-169.5-82.5000111.8K48 F51 C68 T69 H70 T74 F75 D76 I83K48-F72 VanDerWaalsContact CA-CE2 3.41Å; K48-F72 HydrophobicContact CB-CD1 4.34Å; K48-F72 HydrophobicContact CB-CD2 4.06Å; K48-F72 HydrophobicContact CB-CE1 4.17Å; K48-F72 HydrophobicContact CB-CE2 3.88Å; K48-F72 HydrophobicContact CB-CG 4.28Å; K48-F72 HydrophobicContact CB-CZ 3.92Å; K48-F72 HydrophobicContact CG-CD1 4.43Å; K48-F72 HydrophobicContact CG-CD2 4.25Å; K48-F72 HydrophobicContact CG-CG 4.18Å; F51-F72 HydrophobicContact CB-CD2 3.96Å; F51-F72 HydrophobicContact CB-CE2 4.3Å; F51-F72 HydrophobicContact CD1-CB 4.33Å; F51-F72 HydrophobicContact CD1-CD2 4.11Å; F51-F72 HydrophobicContact CE1-CB 4.49Å; F51-F72 AromaticContact CG-CD2 3.95Å; F51-F72 HydrophobicContact CG-CD2 3.95Å; C68-F72 WeakPolarHBondContact O-CB 3.38Å; C68-F72 PolarHBondContact O-N 3.43Å; T69-F72 PolarHBondContact O-N 2.82Å; H70-F72 VanDerWaalsContact C-N 3.33Å; H70-F72 PolarHBondContact O-N 2.94Å; F72-T74 VanDerWaalsContact C-N 3.29Å; F72-T74 PolarHBondContact O-N 2.75Å; F72-F75 PolarHBondContact O-N 3.26Å; F72-F75 VanDerWaalsContact O-N 3.11Å; F72-D76 HydrophobicContact CD1-CB 4.07Å; F72-D76 HydrophobicContact CE1-CB 3.84Å; F72-D76 WeakPolarHBondContact O-CB 3.36Å; F72-D76 PolarHBondContact O-N 2.9Å; F72-I83 HydrophobicContact CD2-CD1 3.43Å; F72-I83 VanDerWaalsContact CD2-CD1 3.43Å; F72-I83 HydrophobicContact CD2-CG1 4.02Å; F72-I83 HydrophobicContact CE1-CG1 4.34Å; F72-I83 HydrophobicContact CE2-CB 4.35Å; F72-I83 HydrophobicContact CE2-CD1 3.47Å; F72-I83 VanDerWaalsContact CE2-CD1 3.47Å; F72-I83 HydrophobicContact CE2-CG1 3.59Å; F72-I83 HydrophobicContact CG-CD1 4.09Å; F72-I83 HydrophobicContact CZ-CD1 4.15Å; F72-I83 HydrophobicContact CZ-CG1 3.78Å
73R93.4Very high92Very high64 Ų6449.4 Ų49.424%0.24225%0.249CC..Hα-helixtrans-56.3-42.6176.3-175.1-167.670.2-143.6-3.2111.8T69 H70 V71 F75 Q109 M110 D112 I113T69-R73 PolarHBondContact O-N 3.12Å; H70-R73 WeakPolarHBondContact O-CB 3.44Å; H70-R73 PolarHBondContact O-N 3.27Å; V71-R73 VanDerWaalsContact C-N 3.32Å; V71-R73 PolarHBondContact O-N 3.33Å; R73-F75 PolarHBondContact O-N 3.29Å; R73-Q109 PolarHBondContact NH2-O 3.36Å; R73-M110 PolarHBondContact NH2-O 3.23Å; R73-D112 PolarHBondContact NH2-O 3.06Å; R73-I113 VanDerWaalsContact CZ-CA 3.49Å; R73-I113 VanDerWaalsContact CZ-O 3.27Å; R73-I113 VanDerWaalsContact NH1-CG2 3.3Å; R73-I113 PolarHBondContact NH1-O 3.16Å
74T92Very high92.2Very high6 Ų647.8 Ų47.84%0.03724%0.241CC..Hα-helixtrans-68.4-21.8-179.163.20000113.9H70 V71 F72 K77 W106 Q109 M110H70-T74 PolarHBondContact O-N 2.97Å; H70-T74 VanDerWaalsContact O-N 3.16Å; V71-T74 PolarHBondContact O-N 3.11Å; V71-T74 VanDerWaalsContact O-N 3.12Å; V71-T74 PolarHBondContact O-OG1 3.35Å; F72-T74 VanDerWaalsContact C-N 3.29Å; F72-T74 PolarHBondContact O-N 2.75Å; T74-K77 WeakPolarHBondContact O-CD 3.41Å; T74-K77 WeakPolarHBondContact O-CE 3.4Å; T74-K77 PolarHBondContact O-NZ 3.14Å; T74-W106 PolarHBondContact OG1-NE1 2.91Å; T74-Q109 HydrophobicContact CG2-CB 4.4Å; T74-Q109 WeakPolarHBondContact CG2-O 3.4Å; T74-M110 HydrophobicContact CG2-CB 3.95Å; T74-M110 HydrophobicContact CG2-CG 4.34Å
75F91.7Very high92.6Very high15 Ų1548.3 Ų48.37%0.06624%0.243CC..Hα-helixtrans-96.4-32.8179.4-61.8-27.1000113.8F51 V71 F72 R73 K77 I83 E87 A91 T95 W106F51-F75 HydrophobicContact CZ-CE2 4.41Å; V71-F75 HydrophobicContact CG1-CD2 3.89Å; V71-F75 HydrophobicContact CG1-CE2 3.33Å; V71-F75 HydrophobicContact CG1-CZ 3.91Å; V71-F75 PolarHBondContact O-N 2.79Å; F72-F75 PolarHBondContact O-N 3.26Å; F72-F75 VanDerWaalsContact O-N 3.11Å; R73-F75 PolarHBondContact O-N 3.29Å; F75-K77 PolarHBondContact O-N 2.87Å; F75-I83 HydrophobicContact CB-CD1 3.73Å; F75-I83 HydrophobicContact CB-CG1 4.14Å; F75-I83 HydrophobicContact CD2-CD1 4.22Å; F75-E87 WeakPolarHBondContact O-CB 3.5Å; F75-E87 WeakPolarHBondContact O-CG 3.4Å; F75-A91 HydrophobicContact CB-CB 4.37Å; F75-A91 HydrophobicContact CD1-CB 3.39Å; F75-A91 HydrophobicContact CD2-CB 3.65Å; F75-A91 HydrophobicContact CE1-CB 3.38Å; F75-A91 HydrophobicContact CE2-CB 3.64Å; F75-A91 HydrophobicContact CG-CB 3.54Å; F75-A91 HydrophobicContact CZ-CB 3.52Å; F75-T95 HydrophobicContact CZ-CG2 3.92Å; F75-W106 AromaticContact CD1-NE1 3.99Å; F75-W106 AromaticContact CE1-CE2 3.75Å; F75-W106 HydrophobicContact CE1-CZ2 4.01Å; F75-W106 AromaticContact CE1-NE1 3.26Å; F75-W106 VanDerWaalsContact CE1-NE1 3.26Å; F75-W106 AromaticContact CZ-CE2 3.91Å; F75-W106 AromaticContact CZ-CZ2 3.68Å; F75-W106 HydrophobicContact CZ-CZ2 3.68Å; F75-W106 AromaticContact CZ-NE1 3.87Å
76D93.9Very high92.7Very high9 Ų946.4 Ų46.45%0.04823%0.233CC..  trans-74.271.1173.8-175.514.1000110.1F72 D78 N79 S80 G81 I83F72-D76 HydrophobicContact CD1-CB 4.07Å; F72-D76 HydrophobicContact CE1-CB 3.84Å; F72-D76 WeakPolarHBondContact O-CB 3.36Å; F72-D76 PolarHBondContact O-N 2.9Å; D76-D78 PolarHBondContact O-N 3.41Å; D76-N79 PolarHBondContact O-N 2.97Å; D76-N79 VanDerWaalsContact O-N 3.12Å; D76-N79 WeakPolarHBondContact OD1-CA 3.47Å; D76-N79 PolarHBondContact OD1-N 2.91Å; D76-S80 PolarHBondContact OD1-N 3.16Å; D76-S80 PolarHBondContact OD1-OG 3.48Å; D76-G81 WeakPolarHBondContact OD2-CA 3.24Å; D76-G81 PolarHBondContact OD2-N 3.12Å; D76-I83 HydrophobicContact CB-CG1 4.48Å
77K89.5Confident92.8Very high118 Ų11841.1 Ų41.151%0.51321%0.21SC..THydrogen-bonded Turntrans-66.1-27.5-172.7-68.6-54.1-166.7-166.90112.2T74 F75 E87T74-K77 WeakPolarHBondContact O-CD 3.41Å; T74-K77 WeakPolarHBondContact O-CE 3.4Å; T74-K77 PolarHBondContact O-NZ 3.14Å; F75-K77 PolarHBondContact O-N 2.87Å; K77-E87 PolarHBondContact N-OE1 3.14Å
78D91Very high93Very high97 Ų9741.7 Ų41.752%0.51921%0.212SC..THydrogen-bonded Turntrans-92.30.8176.476.72.3000114.1D76 S80 E87D76-D78 PolarHBondContact O-N 3.41Å; D78-S80 PolarHBondContact O-N 3.41Å; D78-S80 WeakPolarHBondContact OD1-CB 3.45Å; D78-S80 PolarHBondContact OD1-N 3.11Å; D78-S80 PolarHBondContact OD1-OG 3.35Å; D78-E87 PolarHBondContact N-OE1 3.28Å
79N91Very high93.1Very high126 Ų12641.7 Ų41.767%0.67421%0.212SC*.  trans54.231.9-177.5-62.7-66.9000113.5D76 G81D76-N79 PolarHBondContact O-N 2.97Å; D76-N79 VanDerWaalsContact O-N 3.12Å; D76-N79 WeakPolarHBondContact OD1-CA 3.47Å; D76-N79 PolarHBondContact OD1-N 2.91Å; N79-G81 PolarHBondContact O-N 2.93Å
80S93.3Very high93Very high55 Ų5541.5 Ų41.539%0.38521%0.209SC..SBendtrans-74.5-7178.767.30000113.4D76 D78 R82D76-S80 PolarHBondContact OD1-N 3.16Å; D76-S80 PolarHBondContact OD1-OG 3.48Å; D78-S80 PolarHBondContact O-N 3.41Å; D78-S80 WeakPolarHBondContact OD1-CB 3.45Å; D78-S80 PolarHBondContact OD1-N 3.11Å; D78-S80 PolarHBondContact OD1-OG 3.35Å; S80-R82 PolarHBondContact OG-N 2.71Å; S80-R82 PolarHBondContact OG-O 2.96Å
81G93.3Very high92.9Very high41 Ų4141.2 Ų41.242%0.42321%0.209SC..SBendtrans76.112.1-172.400000112.7D76 N79D76-G81 WeakPolarHBondContact OD2-CA 3.24Å; D76-G81 PolarHBondContact OD2-N 3.12Å; N79-G81 PolarHBondContact O-N 2.93Å
82R94Very high92.7Very high117 Ų11742.9 Ų42.944%0.44222%0.218SC..EExtended strand (participates in β ladder)trans-146.2135.7-173.3-62.4-175.7-172.7-77.8-4.2108.9Q45 S80Q45-R82 HydrophobicContact CB-CB 4.21Å; Q45-R82 HydrophobicContact CG-CB 4.45Å; S80-R82 PolarHBondContact OG-N 2.71Å; S80-R82 PolarHBondContact OG-O 2.96Å
83I94.6Very high92.6Very high2 Ų242.9 Ų42.91%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-88.2116.8173-68.6168.9000108.4Q45 L46 F51 F72 F75 D76 E87 F88Q45-I83 WeakPolarHBondContact CA-O 3.47Å; L46-I83 HydrophobicContact CB-CB 4.24Å; L46-I83 PolarHBondContact N-O 3.37Å; L46-I83 PolarHBondContact O-N 3.2Å; F51-I83 HydrophobicContact CD2-CD1 4.42Å; F72-I83 HydrophobicContact CD2-CD1 3.43Å; F72-I83 VanDerWaalsContact CD2-CD1 3.43Å; F72-I83 HydrophobicContact CD2-CG1 4.02Å; F72-I83 HydrophobicContact CE1-CG1 4.34Å; F72-I83 HydrophobicContact CE2-CB 4.35Å; F72-I83 HydrophobicContact CE2-CD1 3.47Å; F72-I83 VanDerWaalsContact CE2-CD1 3.47Å; F72-I83 HydrophobicContact CE2-CG1 3.59Å; F72-I83 HydrophobicContact CG-CD1 4.09Å; F72-I83 HydrophobicContact CZ-CD1 4.15Å; F72-I83 HydrophobicContact CZ-CG1 3.78Å; F75-I83 HydrophobicContact CB-CD1 3.73Å; F75-I83 HydrophobicContact CB-CG1 4.14Å; F75-I83 HydrophobicContact CD2-CD1 4.22Å; D76-I83 HydrophobicContact CB-CG1 4.48Å; I83-E87 WeakPolarHBondContact CA-OE2 3.24Å; I83-E87 HydrophobicContact CG2-CB 3.84Å; I83-F88 HydrophobicContact CG2-CB 3.79Å
84D94.4Very high92.2Very high38 Ų3841.8 Ų41.820%0.20322%0.217CC..EExtended strand (participates in β ladder)trans-77.5176.8171.183.918.3000112K86 E87 F88D84-K86 VanDerWaalsContact C-N 3.31Å; D84-K86 PolarHBondContact O-N 3.34Å; D84-K86 WeakPolarHBondContact OD1-CA 3.35Å; D84-K86 VanDerWaalsContact OD1-CB 3.3Å; D84-K86 WeakPolarHBondContact OD1-CB 3.33Å; D84-K86 PolarHBondContact OD1-N 2.98Å; D84-E87 PolarHBondContact N-OE2 3.32Å; D84-E87 PolarHBondContact OD1-N 3.05Å; D84-F88 VanDerWaalsContact O-CB 3.3Å; D84-F88 WeakPolarHBondContact O-CB 3.45Å; D84-F88 PolarHBondContact O-N 3.1Å
85F94.8Very high91.7Very high11 Ų1143.8 Ų43.85%0.04823%0.229CC..Hα-helixtrans-64.7-35.3-178.8175.6-107.1000113.6L11 L19 I30 W33 Y34 F37 F88 L89L11-F85 HydrophobicContact CD1-CD1 3.66Å; L11-F85 HydrophobicContact CD1-CE1 3.91Å; L11-F85 HydrophobicContact CD2-CE1 4.14Å; L19-F85 HydrophobicContact CD1-CD1 4.02Å; L19-F85 HydrophobicContact CD1-CE1 3.68Å; I30-F85 HydrophobicContact CG2-CE1 3.95Å; I30-F85 HydrophobicContact CG2-CZ 4.23Å; I30-F85 WeakPolarHBondContact O-CZ 3.45Å; W33-F85 HydrophobicContact CB-CE2 3.94Å; W33-F85 HydrophobicContact CB-CZ 3.97Å; Y34-F85 VanDerWaalsContact CA-CZ 3.48Å; Y34-F85 HydrophobicContact CD2-CB 4.16Å; Y34-F85 AromaticContact CD2-CD1 3.47Å; Y34-F85 HydrophobicContact CD2-CD1 3.47Å; Y34-F85 VanDerWaalsContact CD2-CD1 3.47Å; Y34-F85 AromaticContact CD2-CD2 3.86Å; Y34-F85 HydrophobicContact CD2-CD2 3.86Å; Y34-F85 AromaticContact CD2-CE1 3.73Å; Y34-F85 HydrophobicContact CD2-CE1 3.73Å; Y34-F85 HydrophobicContact CD2-CE2 4.13Å; Y34-F85 AromaticContact CD2-CG 3.51Å; Y34-F85 HydrophobicContact CD2-CG 3.51Å; Y34-F85 HydrophobicContact CD2-CZ 4.05Å; Y34-F85 HydrophobicContact CE2-CB 4.23Å; Y34-F85 HydrophobicContact CE2-CD1 4.13Å; Y34-F85 HydrophobicContact CE2-CG 4.07Å; Y34-F85 HydrophobicContact CG-CD1 4.46Å; Y34-F85 HydrophobicContact CG-CE1 4.31Å; Y34-F85 HydrophobicContact CG-CZ 4.37Å; Y34-F85 VanDerWaalsContact N-CE2 3.28Å; Y34-F85 VanDerWaalsContact N-CZ 3.32Å; F37-F85 HydrophobicContact CB-CD2 3.68Å; F37-F85 HydrophobicContact CB-CE2 4.05Å; F37-F85 HydrophobicContact CD1-CB 3.99Å; F37-F85 AromaticContact CD1-CD2 3.9Å; F37-F85 HydrophobicContact CD1-CD2 3.9Å; F37-F85 HydrophobicContact CD1-CG 4.42Å; F37-F85 HydrophobicContact CD2-CD2 4.36Å; F37-F85 HydrophobicContact CE1-CB 4.04Å; F37-F85 AromaticContact CG-CD2 3.74Å; F37-F85 HydrophobicContact CG-CD2 3.74Å; F85-F88 HydrophobicContact CD2-CD1 4.28Å; F85-F88 HydrophobicContact CE2-CD1 4.32Å; F85-L89 HydrophobicContact CE1-CD2 4.29Å; F85-L89 HydrophobicContact CZ-CB 4.43Å; F85-L89 HydrophobicContact CZ-CD2 4.01Å; F85-L89 WeakPolarHBondContact O-CB 3.42Å; F85-L89 PolarHBondContact O-N 2.6Å
86K94.5Very high91.1Very high67 Ų6747.4 Ų47.429%0.29126%0.256SS..Hα-helixtrans-69-46.8-178.3176.1-177.165.8-169.20109.4F18 L19 D84 L89 L90F18-K86 HydrophobicContact CD1-CD 3.59Å; F18-K86 HydrophobicContact CD1-CG 3.83Å; F18-K86 HydrophobicContact CE1-CD 3.75Å; F18-K86 HydrophobicContact CE1-CG 3.85Å; F18-K86 HydrophobicContact CG-CD 4.36Å; L19-K86 HydrophobicContact CD2-CB 4.45Å; L19-K86 HydrophobicContact CD2-CG 3.96Å; L19-K86 HydrophobicContact CG-CG 4.28Å; D84-K86 VanDerWaalsContact C-N 3.31Å; D84-K86 PolarHBondContact O-N 3.34Å; D84-K86 WeakPolarHBondContact OD1-CA 3.35Å; D84-K86 VanDerWaalsContact OD1-CB 3.3Å; D84-K86 WeakPolarHBondContact OD1-CB 3.33Å; D84-K86 PolarHBondContact OD1-N 2.98Å; K86-L89 PolarHBondContact O-N 3.38Å; K86-L90 HydrophobicContact CG-CD1 4.42Å; K86-L90 WeakPolarHBondContact O-CG 3.43Å; K86-L90 PolarHBondContact O-N 2.93Å
87E95.1Very high90.3Very high7 Ų749.2 Ų49.23%0.03328%0.277CS..Hα-helixtrans-59.4-46.8174.1-70.5174.814300112F75 K77 D78 I83 D84 L89 L90 A91F75-E87 WeakPolarHBondContact O-CB 3.5Å; F75-E87 WeakPolarHBondContact O-CG 3.4Å; K77-E87 PolarHBondContact N-OE1 3.14Å; D78-E87 PolarHBondContact N-OE1 3.28Å; I83-E87 WeakPolarHBondContact CA-OE2 3.24Å; I83-E87 HydrophobicContact CG2-CB 3.84Å; D84-E87 PolarHBondContact N-OE2 3.32Å; D84-E87 PolarHBondContact OD1-N 3.05Å; E87-L89 VanDerWaalsContact C-N 3.32Å; E87-L89 PolarHBondContact O-N 2.98Å; E87-L90 PolarHBondContact O-N 2.91Å; E87-A91 WeakPolarHBondContact O-CB 3.5Å; E87-A91 PolarHBondContact O-N 2.98Å
88F93.7Very high89.6Confident40 Ų4044.1 Ų44.118%0.17526%0.258CS..Hα-helixtrans-56.1-45.6174.9169.1-101.3000112W33 F37 I83 D84 F85 A91 I92W33-F88 HydrophobicContact CD2-CE1 4.49Å; W33-F88 AromaticContact CE3-CE1 3.69Å; W33-F88 HydrophobicContact CE3-CE1 3.69Å; W33-F88 AromaticContact CE3-CZ 3.97Å; W33-F88 HydrophobicContact CE3-CZ 3.97Å; W33-F88 HydrophobicContact CZ3-CE1 4.02Å; W33-F88 AromaticContact CZ3-CZ 3.8Å; W33-F88 HydrophobicContact CZ3-CZ 3.8Å; F37-F88 HydrophobicContact CD2-CB 4.16Å; F37-F88 AromaticContact CD2-CD1 3.64Å; F37-F88 HydrophobicContact CD2-CD1 3.64Å; F37-F88 HydrophobicContact CD2-CD2 4.2Å; F37-F88 HydrophobicContact CD2-CE1 4.07Å; F37-F88 AromaticContact CD2-CG 3.71Å; F37-F88 HydrophobicContact CD2-CG 3.71Å; F37-F88 HydrophobicContact CE2-CB 3.72Å; F37-F88 HydrophobicContact CE2-CD1 4.09Å; F37-F88 HydrophobicContact CE2-CD2 4.08Å; F37-F88 AromaticContact CE2-CG 3.68Å; F37-F88 HydrophobicContact CE2-CG 3.68Å; F37-F88 HydrophobicContact CG-CD1 4.42Å; F37-F88 HydrophobicContact CZ-CB 4.39Å; I83-F88 HydrophobicContact CG2-CB 3.79Å; D84-F88 VanDerWaalsContact O-CB 3.3Å; D84-F88 WeakPolarHBondContact O-CB 3.45Å; D84-F88 PolarHBondContact O-N 3.1Å; F85-F88 HydrophobicContact CD2-CD1 4.28Å; F85-F88 HydrophobicContact CE2-CD1 4.32Å; F88-A91 WeakPolarHBondContact O-CB 3.33Å; F88-A91 PolarHBondContact O-N 2.91Å; F88-I92 HydrophobicContact CD2-CG1 4.36Å; F88-I92 HydrophobicContact CE1-CG1 4.12Å; F88-I92 HydrophobicContact CE2-CD1 4.06Å; F88-I92 HydrophobicContact CE2-CG1 3.86Å; F88-I92 HydrophobicContact CZ-CD1 4.13Å; F88-I92 HydrophobicContact CZ-CG1 3.72Å; F88-I92 WeakPolarHBondContact O-CG1 3.28Å; F88-I92 PolarHBondContact O-N 3.1Å
89L93.5Very high89.3Confident0 Ų042.9 Ų42.90%025%0.251CS..Hα-helixtrans-74.1-33.4-176.3-164.464.7000112.6L19 F25 I30 W33 F85 K86 E87 A91 I92 N93L19-L89 HydrophobicContact CB-CD2 4.42Å; L19-L89 HydrophobicContact CD1-CD2 3.89Å; L19-L89 HydrophobicContact CD2-CB 4Å; L19-L89 HydrophobicContact CD2-CD2 4.07Å; L19-L89 HydrophobicContact CD2-CG 4.39Å; L19-L89 HydrophobicContact CG-CD2 4.35Å; F25-L89 HydrophobicContact CD2-CD1 3.73Å; F25-L89 HydrophobicContact CD2-CD2 3.98Å; F25-L89 HydrophobicContact CD2-CG 3.74Å; F25-L89 HydrophobicContact CE2-CD1 3.56Å; F25-L89 HydrophobicContact CE2-CG 3.88Å; F25-L89 HydrophobicContact CZ-CD1 4.27Å; I30-L89 HydrophobicContact CB-CD2 4.18Å; I30-L89 HydrophobicContact CG1-CD2 3.8Å; I30-L89 HydrophobicContact CG2-CD2 3.93Å; W33-L89 HydrophobicContact CB-CD1 3.86Å; W33-L89 HydrophobicContact CD2-CD1 4.15Å; W33-L89 HydrophobicContact CG-CD1 3.62Å; F85-L89 HydrophobicContact CE1-CD2 4.29Å; F85-L89 HydrophobicContact CZ-CB 4.43Å; F85-L89 HydrophobicContact CZ-CD2 4.01Å; F85-L89 WeakPolarHBondContact O-CB 3.42Å; F85-L89 PolarHBondContact O-N 2.6Å; K86-L89 PolarHBondContact O-N 3.38Å; E87-L89 VanDerWaalsContact C-N 3.32Å; E87-L89 PolarHBondContact O-N 2.98Å; L89-A91 VanDerWaalsContact C-N 3.35Å; L89-I92 PolarHBondContact O-N 3.19Å; L89-N93 WeakPolarHBondContact O-CB 3.48Å; L89-N93 PolarHBondContact O-N 3.48Å
90L92.3Very high88.9Confident38 Ų3840.5 Ų40.520%0.19924%0.242CC..Hα-helixtrans-61.4-44.7170.3-72171.9000111F18 L19 N22 T23 K86 E87 I92 N93 I94F18-L90 HydrophobicContact CE1-CD1 4.03Å; F18-L90 HydrophobicContact CE1-CD2 4.2Å; F18-L90 HydrophobicContact CE1-CG 4.45Å; F18-L90 HydrophobicContact CZ-CD1 4.48Å; L19-L90 HydrophobicContact CD2-CG 4.37Å; N22-L90 HydrophobicContact CB-CD2 4.19Å; T23-L90 HydrophobicContact CG2-CD2 3.97Å; K86-L90 HydrophobicContact CG-CD1 4.42Å; K86-L90 WeakPolarHBondContact O-CG 3.43Å; K86-L90 PolarHBondContact O-N 2.93Å; E87-L90 PolarHBondContact O-N 2.91Å; L90-I92 PolarHBondContact O-N 2.96Å; L90-N93 WeakPolarHBondContact O-CB 3.4Å; L90-N93 PolarHBondContact O-N 3.49Å; L90-I94 WeakPolarHBondContact O-CG1 3.46Å; L90-I94 PolarHBondContact O-N 3.23Å; L90-I94 VanDerWaalsContact O-N 3.08Å
91A90Very high88.6Confident6 Ų642.9 Ų42.95%0.0525%0.247CC..Hα-helixtrans-55.6-52.6175.500000111.6F75 E87 F88 L89 N93 I94 T95F75-A91 HydrophobicContact CB-CB 4.37Å; F75-A91 HydrophobicContact CD1-CB 3.39Å; F75-A91 HydrophobicContact CD2-CB 3.65Å; F75-A91 HydrophobicContact CE1-CB 3.38Å; F75-A91 HydrophobicContact CE2-CB 3.64Å; F75-A91 HydrophobicContact CG-CB 3.54Å; F75-A91 HydrophobicContact CZ-CB 3.52Å; E87-A91 WeakPolarHBondContact O-CB 3.5Å; E87-A91 PolarHBondContact O-N 2.98Å; F88-A91 WeakPolarHBondContact O-CB 3.33Å; F88-A91 PolarHBondContact O-N 2.91Å; L89-A91 VanDerWaalsContact C-N 3.35Å; A91-N93 VanDerWaalsContact C-N 3.29Å; A91-N93 PolarHBondContact O-N 3.06Å; A91-I94 PolarHBondContact O-N 3.18Å; A91-T95 WeakPolarHBondContact O-CG2 3.42Å; A91-T95 PolarHBondContact O-N 3.27Å; A91-T95 PolarHBondContact O-OG1 3.34Å; A91-T95 VanDerWaalsContact O-OG1 3.06Å
92I89.1Confident88.2Confident35 Ų3543.9 Ų43.918%0.17924%0.241CC..Hα-helixtrans-60.7-38.3178-64-63.8000111.9F25 W33 F88 L89 L90 I94 S96F25-I92 HydrophobicContact CE2-CG2 4.45Å; F25-I92 HydrophobicContact CZ-CG2 4.01Å; W33-I92 HydrophobicContact CH2-CG2 4.21Å; W33-I92 HydrophobicContact CZ2-CG2 3.91Å; F88-I92 HydrophobicContact CD2-CG1 4.36Å; F88-I92 HydrophobicContact CE1-CG1 4.12Å; F88-I92 HydrophobicContact CE2-CD1 4.06Å; F88-I92 HydrophobicContact CE2-CG1 3.86Å; F88-I92 HydrophobicContact CZ-CD1 4.13Å; F88-I92 HydrophobicContact CZ-CG1 3.72Å; F88-I92 WeakPolarHBondContact O-CG1 3.28Å; F88-I92 PolarHBondContact O-N 3.1Å; L89-I92 PolarHBondContact O-N 3.19Å; L90-I92 PolarHBondContact O-N 2.96Å; I92-I94 VanDerWaalsContact C-N 3.33Å; I92-I94 PolarHBondContact O-N 3.43Å; I92-S96 VanDerWaalsContact O-CB 3.29Å; I92-S96 WeakPolarHBondContact O-CB 3.47Å; I92-S96 PolarHBondContact O-N 3.36Å
93N89Confident87.8Confident8 Ų842 Ų424%0.04324%0.236CC..Iπ-helixtrans-58.3-47.8177-176.379000110.9T23 H24 F25 L89 L90 A91 G97 G98T23-N93 WeakPolarHBondContact CA-OD1 3.45Å; T23-N93 WeakPolarHBondContact CB-OD1 3.4Å; T23-N93 HydrophobicContact CG2-CB 3.89Å; H24-N93 PolarHBondContact CD2-OD1 2.92Å; H24-N93 PolarHBondContact N-OD1 3.08Å; F25-N93 HydrophobicContact CE2-CB 4.07Å; L89-N93 WeakPolarHBondContact O-CB 3.48Å; L89-N93 PolarHBondContact O-N 3.48Å; L90-N93 WeakPolarHBondContact O-CB 3.4Å; L90-N93 PolarHBondContact O-N 3.49Å; A91-N93 VanDerWaalsContact C-N 3.29Å; A91-N93 PolarHBondContact O-N 3.06Å; N93-G97 CarbonylContact O-C 3.29Å; N93-G97 VanDerWaalsContact O-C 3.29Å; N93-G97 WeakPolarHBondContact O-CA 3.43Å; N93-G97 PolarHBondContact O-N 3.4Å; N93-G98 PolarHBondContact O-N 3.44Å
94I85.2Confident87.6Confident42 Ų4241.9 Ų41.922%0.21524%0.236CC..Iπ-helixtrans-68.6-52.1-178.9-63.6165.8000110.7L90 A91 I92 S96 G98 W106L90-I94 WeakPolarHBondContact O-CG1 3.46Å; L90-I94 PolarHBondContact O-N 3.23Å; L90-I94 VanDerWaalsContact O-N 3.08Å; A91-I94 PolarHBondContact O-N 3.18Å; I92-I94 VanDerWaalsContact C-N 3.33Å; I92-I94 PolarHBondContact O-N 3.43Å; I94-S96 PolarHBondContact O-N 3.06Å; I94-G98 WeakPolarHBondContact O-CA 3.39Å; I94-G98 PolarHBondContact O-N 3.24Å; I94-G98 VanDerWaalsContact O-N 3.16Å; I94-W106 HydrophobicContact CG2-CB 3.64Å; I94-W106 HydrophobicContact CG2-CD2 4.39Å; I94-W106 HydrophobicContact CG2-CG 3.93Å
95T81.6Confident87.4Confident47 Ų4742.4 Ų42.429%0.28824%0.237SC..Iπ-helixtrans-72.4-34.2-171.158.50000113F75 A91 W106F75-T95 HydrophobicContact CZ-CG2 3.92Å; A91-T95 WeakPolarHBondContact O-CG2 3.42Å; A91-T95 PolarHBondContact O-N 3.27Å; A91-T95 PolarHBondContact O-OG1 3.34Å; A91-T95 VanDerWaalsContact O-OG1 3.06Å; T95-W106 HydrophobicContact CG2-CH2 4.03Å; T95-W106 HydrophobicContact CG2-CZ2 4.16Å; T95-W106 HydrophobicContact CG2-CZ3 4.28Å
96S80.2Confident87.2Confident92 Ų9243.7 Ų43.764%0.64324%0.241SC*.Iπ-helixtrans-104.4-23.4-174.1-56.30000114.5I92 I94I92-S96 VanDerWaalsContact O-CB 3.29Å; I92-S96 WeakPolarHBondContact O-CB 3.47Å; I92-S96 PolarHBondContact O-N 3.36Å; I94-S96 PolarHBondContact O-N 3.06Å
97G76.1Confident87.1Confident47 Ų4740.6 Ų40.649%0.48523%0.229SC..Iπ-helixtrans-131.9-5.4-174.100000115N93N93-G97 CarbonylContact O-C 3.29Å; N93-G97 VanDerWaalsContact O-C 3.29Å; N93-G97 WeakPolarHBondContact O-CA 3.43Å; N93-G97 PolarHBondContact O-N 3.4Å
98G75.6Confident87.1Confident10 Ų1040.8 Ų40.810%0.10323%0.229CC..  trans-68146.5-177.700000111.5N93 I94 E102 K103N93-G98 PolarHBondContact O-N 3.44Å; I94-G98 WeakPolarHBondContact O-CA 3.39Å; I94-G98 PolarHBondContact O-N 3.24Å; I94-G98 VanDerWaalsContact O-N 3.16Å; G98-E102 WeakPolarHBondContact CA-OE2 3.46Å; G98-K103 WeakPolarHBondContact O-CE 3.46Å
99N84.1Confident87Confident72 Ų7242.2 Ų42.239%0.38524%0.236SC..  trans-67.5165.5170.673.255.9000110.3E101 E102 K103N99-E101 PolarHBondContact O-N 2.93Å; N99-E101 WeakPolarHBondContact OD1-CA 3.44Å; N99-E101 VanDerWaalsContact OD1-CB 3.24Å; N99-E101 WeakPolarHBondContact OD1-CB 3.29Å; N99-E101 PolarHBondContact OD1-N 3.03Å; N99-E102 PolarHBondContact N-OE2 3.48Å; N99-E102 VanDerWaalsContact ND2-CD 3.26Å; N99-E102 WeakPolarHBondContact ND2-CG 3.13Å; N99-E102 PolarHBondContact ND2-OE2 3.24Å; N99-E102 VanDerWaalsContact ND2-OE2 3.13Å; N99-E102 PolarHBondContact O-N 3.03Å; N99-E102 PolarHBondContact OD1-N 2.98Å; N99-K103 PolarHBondContact O-N 3.41Å; N99-K103 VanDerWaalsContact O-N 3.1Å
100P82.9Confident87Confident75 Ų7542.6 Ų42.649%0.48724%0.238SC..Hα-helixtrans-55-36.6-178.5-28.536.6000114.5K103 L104P100-K103 PolarHBondContact O-N 3.39Å; P100-L104 VanDerWaalsContact O-CG 3.31Å; P100-L104 WeakPolarHBondContact O-CG 3.29Å; P100-L104 PolarHBondContact O-N 3.02Å
101E85.9Confident87.2Confident105 Ų10540.9 Ų40.949%0.49123%0.229SC..Hα-helixtrans-67.9-43.6179.3-167.4-178.5177.500111.4N99 K103 L104 E105 M171 M175N99-E101 PolarHBondContact O-N 2.93Å; N99-E101 WeakPolarHBondContact OD1-CA 3.44Å; N99-E101 VanDerWaalsContact OD1-CB 3.24Å; N99-E101 WeakPolarHBondContact OD1-CB 3.29Å; N99-E101 PolarHBondContact OD1-N 3.03Å; E101-K103 VanDerWaalsContact C-N 3.28Å; E101-K103 PolarHBondContact O-N 3.19Å; E101-L104 PolarHBondContact O-N 3.04Å; E101-E105 WeakPolarHBondContact O-CB 3.49Å; E101-E105 PolarHBondContact O-N 3.24Å; E101-M171 HydrophobicContact CB-CE 4.46Å; E101-M171 HydrophobicContact CG-CE 3.56Å; E101-M175 HydrophobicContact CB-CE 4.49Å
102E86.3Confident87.5Confident63 Ų6341.2 Ų41.229%0.29423%0.23SC..Hα-helixtrans-62-36.9175.5-70.5171.3141.400112.3G98 N99 W106G98-E102 WeakPolarHBondContact CA-OE2 3.46Å; N99-E102 PolarHBondContact N-OE2 3.48Å; N99-E102 VanDerWaalsContact ND2-CD 3.26Å; N99-E102 WeakPolarHBondContact ND2-CG 3.13Å; N99-E102 PolarHBondContact ND2-OE2 3.24Å; N99-E102 VanDerWaalsContact ND2-OE2 3.13Å; N99-E102 PolarHBondContact O-N 3.03Å; N99-E102 PolarHBondContact OD1-N 2.98Å; E102-W106 WeakPolarHBondContact O-CB 3.43Å; E102-W106 PolarHBondContact O-N 2.86Å
103K85.7Confident87.8Confident76 Ų7641.2 Ų41.233%0.3323%0.23SC..Hα-helixtrans-68.7-40.7176.1-70-176.1176.8-167.70112G98 N99 P100 E101 W106 A107G98-K103 WeakPolarHBondContact O-CE 3.46Å; N99-K103 PolarHBondContact O-N 3.41Å; N99-K103 VanDerWaalsContact O-N 3.1Å; P100-K103 PolarHBondContact O-N 3.39Å; E101-K103 VanDerWaalsContact C-N 3.28Å; E101-K103 PolarHBondContact O-N 3.19Å; K103-W106 PolarHBondContact O-N 2.64Å; K103-A107 WeakPolarHBondContact O-CB 3.45Å; K103-A107 PolarHBondContact O-N 3.45Å
104L89.2Confident88.1Confident1 Ų145.6 Ų45.61%0.00525%0.253CS..Hα-helixtrans-68.4-39.2176.4-70.8176.2000111.7P100 E101 W106 A107 Y108 M171 C174 M175 K181P100-L104 VanDerWaalsContact O-CG 3.31Å; P100-L104 WeakPolarHBondContact O-CG 3.29Å; P100-L104 PolarHBondContact O-N 3.02Å; E101-L104 PolarHBondContact O-N 3.04Å; L104-W106 VanDerWaalsContact C-N 3.31Å; L104-W106 PolarHBondContact O-N 2.81Å; L104-A107 WeakPolarHBondContact O-CB 3.24Å; L104-A107 PolarHBondContact O-N 3.08Å; L104-Y108 PolarHBondContact O-N 3.28Å; L104-M171 HydrophobicContact CB-CE 3.8Å; L104-M171 HydrophobicContact CB-SD 3.45Å; L104-M171 WeakPolarHBondContact CB-SD 3.38Å; L104-M171 HydrophobicContact CD1-CE 4.39Å; L104-M171 HydrophobicContact CD1-SD 4.46Å; L104-C174 HydrophobicContact CD1-CB 3.95Å; L104-C174 HydrophobicContact CD2-CB 3.52Å; L104-C174 HydrophobicContact CG-CB 4.37Å; L104-M175 HydrophobicContact CD1-CE 3.87Å; L104-M175 HydrophobicContact CD1-CG 3.88Å; L104-M175 HydrophobicContact CD1-SD 3.68Å; L104-K181 HydrophobicContact CD2-CG 4.36Å
105E91Very high88.5Confident49 Ų4946.2 Ų46.223%0.22927%0.27CS..Hα-helixtrans-59.5-43.8173.6-175.463.3-148.300111.6E101 Y108 Q109 R167E101-E105 WeakPolarHBondContact O-CB 3.49Å; E101-E105 PolarHBondContact O-N 3.24Å; E105-Y108 WeakPolarHBondContact O-CB 3.46Å; E105-Y108 PolarHBondContact O-N 2.84Å; E105-Q109 WeakPolarHBondContact O-CG 3.43Å; E105-Q109 PolarHBondContact O-N 3.38Å; E105-Q109 VanDerWaalsContact O-N 3.15Å; E105-R167 IonicContact OE1-NE 2.74Å; E105-R167 PolarHBondContact OE1-NE 3.33Å; E105-R167 IonicContact OE2-CZ 3.59Å; E105-R167 IonicContact OE2-NE 2.64Å; E105-R167 PolarHBondContact OE2-NE 2.95Å; E105-R167 IonicContact OE2-NH2 3.09Å; E105-R167 PolarHBondContact OE2-NH2 3.47Å
106W91.1Very high89.2Confident37 Ų3747.7 Ų47.714%0.1428%0.276CS..Hα-helixtrans-67.5-38.8175.4169.567.6000112.4V71 T74 F75 I94 T95 E102 K103 L104 Y108 Q109 M110V71-W106 HydrophobicContact CG1-CZ2 4.31Å; T74-W106 PolarHBondContact OG1-NE1 2.91Å; F75-W106 AromaticContact CD1-NE1 3.99Å; F75-W106 AromaticContact CE1-CE2 3.75Å; F75-W106 HydrophobicContact CE1-CZ2 4.01Å; F75-W106 AromaticContact CE1-NE1 3.26Å; F75-W106 VanDerWaalsContact CE1-NE1 3.26Å; F75-W106 AromaticContact CZ-CE2 3.91Å; F75-W106 AromaticContact CZ-CZ2 3.68Å; F75-W106 HydrophobicContact CZ-CZ2 3.68Å; F75-W106 AromaticContact CZ-NE1 3.87Å; I94-W106 HydrophobicContact CG2-CB 3.64Å; I94-W106 HydrophobicContact CG2-CD2 4.39Å; I94-W106 HydrophobicContact CG2-CG 3.93Å; T95-W106 HydrophobicContact CG2-CH2 4.03Å; T95-W106 HydrophobicContact CG2-CZ2 4.16Å; T95-W106 HydrophobicContact CG2-CZ3 4.28Å; E102-W106 WeakPolarHBondContact O-CB 3.43Å; E102-W106 PolarHBondContact O-N 2.86Å; K103-W106 PolarHBondContact O-N 2.64Å; L104-W106 VanDerWaalsContact C-N 3.31Å; L104-W106 PolarHBondContact O-N 2.81Å; W106-Y108 VanDerWaalsContact C-N 3.31Å; W106-Y108 PolarHBondContact O-N 3.07Å; W106-Q109 PolarHBondContact O-N 3.4Å; W106-M110 HydrophobicContact CD2-CE 4.32Å; W106-M110 HydrophobicContact CE3-CE 4.35Å; W106-M110 HydrophobicContact CH2-CE 3.22Å; W106-M110 HydrophobicContact CZ2-CE 3.12Å; W106-M110 HydrophobicContact CZ3-CE 3.85Å; W106-M110 PolarHBondContact O-N 2.98Å; W106-M110 VanDerWaalsContact O-N 3.08Å
107A91.6Very high89.9Confident3 Ų345.1 Ų45.13%0.02527%0.265CS..Hα-helixtrans-59.7-44.6173.500000110.6K103 L104 Q109 M110 Y111 F170 L185K103-A107 WeakPolarHBondContact O-CB 3.45Å; K103-A107 PolarHBondContact O-N 3.45Å; L104-A107 WeakPolarHBondContact O-CB 3.24Å; L104-A107 PolarHBondContact O-N 3.08Å; A107-Q109 VanDerWaalsContact C-N 3.34Å; A107-Q109 PolarHBondContact O-N 3.05Å; A107-M110 WeakPolarHBondContact O-CA 3.24Å; A107-M110 VanDerWaalsContact O-CB 3.24Å; A107-M110 WeakPolarHBondContact O-CB 3.35Å; A107-M110 PolarHBondContact O-N 2.91Å; A107-Y111 VanDerWaalsContact O-CD2 3.27Å; A107-Y111 WeakPolarHBondContact O-CD2 3.24Å; A107-Y111 PolarHBondContact O-N 2.91Å; A107-F170 HydrophobicContact CB-CE1 4.23Å; A107-F170 HydrophobicContact CB-CZ 4.17Å; A107-L185 HydrophobicContact CB-CD2 3.81Å
108Y93.9Very high90.9Very high11 Ų1144.6 Ų44.64%0.04325%0.252CS..Hα-helixtrans-53.6-49.3174.8-177.1-102.1000111.9L104 E105 W106 M110 Y111 D112 G117 T118 I119 L165 R167 F170L104-Y108 PolarHBondContact O-N 3.28Å; E105-Y108 WeakPolarHBondContact O-CB 3.46Å; E105-Y108 PolarHBondContact O-N 2.84Å; W106-Y108 VanDerWaalsContact C-N 3.31Å; W106-Y108 PolarHBondContact O-N 3.07Å; Y108-M110 PolarHBondContact O-N 3.44Å; Y108-Y111 PolarHBondContact O-N 3.47Å; Y108-Y111 VanDerWaalsContact O-N 3.08Å; Y108-D112 PolarHBondContact O-N 3.47Å; Y108-G117 PolarHBondContact OH-O 2.94Å; Y108-T118 WeakPolarHBondContact OH-CA 3.42Å; Y108-T118 PolarHBondContact OH-N 3.02Å; Y108-I119 HydrophobicContact CD2-CD1 3.4Å; Y108-I119 VanDerWaalsContact CD2-CD1 3.4Å; Y108-I119 HydrophobicContact CD2-CG1 4.08Å; Y108-I119 HydrophobicContact CE2-CD1 3.46Å; Y108-I119 VanDerWaalsContact CE2-CD1 3.46Å; Y108-I119 HydrophobicContact CE2-CG1 3.72Å; Y108-I119 HydrophobicContact CG-CD1 4.41Å; Y108-L165 PolarHBondContact OH-O 3.48Å; Y108-R167 HydrophobicContact CD1-CB 4.45Å; Y108-R167 HydrophobicContact CD1-CG 4.45Å; Y108-R167 HydrophobicContact CE1-CB 3.98Å; Y108-R167 HydrophobicContact CE1-CG 4.44Å; Y108-R167 HydrophobicContact CE2-CB 4.24Å; Y108-R167 PolarHBondContact OH-N 2.74Å; Y108-R167 VanDerWaalsContact OH-N 3.11Å; Y108-F170 HydrophobicContact CD2-CB 3.67Å; Y108-F170 AromaticContact CD2-CD1 3.84Å; Y108-F170 HydrophobicContact CD2-CD1 3.84Å; Y108-F170 HydrophobicContact CD2-CD2 4.28Å; Y108-F170 AromaticContact CD2-CG 3.67Å; Y108-F170 HydrophobicContact CD2-CG 3.67Å; Y108-F170 HydrophobicContact CE2-CB 4.01Å; Y108-F170 HydrophobicContact CE2-CG 4.43Å; Y108-F170 HydrophobicContact CG-CD1 4.38Å
109Q93.1Very high92Very high69 Ų6944.1 Ų44.132%0.32225%0.247SC..Hα-helixtrans-62.6-23.4176-67.3173.818.500113.9R73 T74 E105 W106 A107R73-Q109 PolarHBondContact NH2-O 3.36Å; T74-Q109 HydrophobicContact CG2-CB 4.4Å; T74-Q109 WeakPolarHBondContact CG2-O 3.4Å; E105-Q109 WeakPolarHBondContact O-CG 3.43Å; E105-Q109 PolarHBondContact O-N 3.38Å; E105-Q109 VanDerWaalsContact O-N 3.15Å; W106-Q109 PolarHBondContact O-N 3.4Å; A107-Q109 VanDerWaalsContact C-N 3.34Å; A107-Q109 PolarHBondContact O-N 3.05Å
110M93.5Very high92.6Very high8 Ų844.5 Ų44.54%0.03925%0.247CC..Hα-helixtrans-76.7-41174-168.5-175.5-54.700111.4F67 H70 V71 R73 T74 W106 A107 Y108 I127F67-M110 HydrophobicContact CE2-SD 3.86Å; F67-M110 HydrophobicContact CZ-SD 4.17Å; H70-M110 HydrophobicContact CB-CG 4.06Å; V71-M110 HydrophobicContact CG2-CE 3.78Å; V71-M110 HydrophobicContact CG2-SD 4.17Å; R73-M110 PolarHBondContact NH2-O 3.23Å; T74-M110 HydrophobicContact CG2-CB 3.95Å; T74-M110 HydrophobicContact CG2-CG 4.34Å; W106-M110 HydrophobicContact CD2-CE 4.32Å; W106-M110 HydrophobicContact CE3-CE 4.35Å; W106-M110 HydrophobicContact CH2-CE 3.22Å; W106-M110 HydrophobicContact CZ2-CE 3.12Å; W106-M110 HydrophobicContact CZ3-CE 3.85Å; W106-M110 PolarHBondContact O-N 2.98Å; W106-M110 VanDerWaalsContact O-N 3.08Å; A107-M110 WeakPolarHBondContact O-CA 3.24Å; A107-M110 VanDerWaalsContact O-CB 3.24Å; A107-M110 WeakPolarHBondContact O-CB 3.35Å; A107-M110 PolarHBondContact O-N 2.91Å; Y108-M110 PolarHBondContact O-N 3.44Å; M110-I127 HydrophobicContact CG-CD1 4.46Å; M110-I127 WeakPolarHBondContact O-CD1 3.47Å
111Y95.4Very high93.2Very high3 Ų344.1 Ų44.11%0.01224%0.235CC..Hα-helixtrans-73.4-37.4178.8-80.5-83.9000113.2A107 Y108 I113 I119 E123 M124 I127 I128 F170 L184A107-Y111 VanDerWaalsContact O-CD2 3.27Å; A107-Y111 WeakPolarHBondContact O-CD2 3.24Å; A107-Y111 PolarHBondContact O-N 2.91Å; Y108-Y111 PolarHBondContact O-N 3.47Å; Y108-Y111 VanDerWaalsContact O-N 3.08Å; Y111-I113 PolarHBondContact O-N 3.15Å; Y111-I113 VanDerWaalsContact O-N 3.09Å; Y111-I119 VanDerWaalsContact CB-CD1 3.48Å; Y111-I119 HydrophobicContact CG-CD1 4.45Å; Y111-E123 WeakPolarHBondContact O-CB 3.44Å; Y111-M124 HydrophobicContact CD1-CG 4.38Å; Y111-M124 HydrophobicContact CE1-CG 4.29Å; Y111-I127 HydrophobicContact CD1-CB 3.75Å; Y111-I127 HydrophobicContact CD1-CG1 3.83Å; Y111-I127 HydrophobicContact CD1-CG2 3.95Å; Y111-I127 HydrophobicContact CE1-CB 3.53Å; Y111-I127 HydrophobicContact CE1-CG1 4.15Å; Y111-I127 HydrophobicContact CE1-CG2 3.44Å; Y111-I127 VanDerWaalsContact CE1-CG2 3.44Å; Y111-I127 HydrophobicContact CE2-CG2 4.14Å; Y111-I127 HydrophobicContact CG-CG1 4.32Å; Y111-I127 HydrophobicContact CG-CG2 4.49Å; Y111-I128 HydrophobicContact CE1-CG1 4.47Å; Y111-F170 HydrophobicContact CD2-CE2 4.02Å; Y111-F170 AromaticContact CD2-CZ 3.99Å; Y111-F170 HydrophobicContact CD2-CZ 3.99Å; Y111-F170 HydrophobicContact CE2-CZ 4.43Å; Y111-F170 HydrophobicContact CG-CE2 4.37Å; Y111-L184 HydrophobicContact CD2-CD2 4.48Å; Y111-L184 HydrophobicContact CE1-CD2 3.72Å; Y111-L184 HydrophobicContact CE2-CB 4.28Å; Y111-L184 HydrophobicContact CE2-CD2 3.71Å; Y111-L184 VanDerWaalsContact OH-CD2 3.26Å; Y111-L184 WeakPolarHBondContact OH-CD2 3.41Å; Y111-L184 PolarHBondContact OH-O 3.02Å
112D96.6Very high93.8Very high12 Ų1243.6 Ų43.66%0.06424%0.24CC..  trans-71.997.5170.7178.5-0.7000108.5R73 Y108 G115 N116 G117 I119R73-D112 PolarHBondContact NH2-O 3.06Å; Y108-D112 PolarHBondContact O-N 3.47Å; D112-G115 WeakPolarHBondContact OD1-CA 3.48Å; D112-G115 PolarHBondContact OD1-N 2.77Å; D112-G115 WeakPolarHBondContact OD2-CA 3.11Å; D112-N116 PolarHBondContact OD1-N 2.87Å; D112-N116 VanDerWaalsContact OD1-N 3.14Å; D112-G117 VanDerWaalsContact OD2-CA 3.3Å; D112-G117 WeakPolarHBondContact OD2-CA 3.37Å; D112-G117 PolarHBondContact OD2-N 3.12Å; D112-I119 HydrophobicContact CB-CG1 4.21Å
113I96.1Very high94.3Very high35 Ų3541.1 Ų41.118%0.17923%0.228CC..SBendtrans-78.3-41.5-168-72.5-179.7000111.7R73 Y111 E123 E126 I127R73-I113 VanDerWaalsContact CZ-CA 3.49Å; R73-I113 VanDerWaalsContact CZ-O 3.27Å; R73-I113 VanDerWaalsContact NH1-CG2 3.3Å; R73-I113 PolarHBondContact NH1-O 3.16Å; Y111-I113 PolarHBondContact O-N 3.15Å; Y111-I113 VanDerWaalsContact O-N 3.09Å; I113-E123 VanDerWaalsContact CA-OE1 3.31Å; I113-E123 WeakPolarHBondContact CA-OE1 3.29Å; I113-E123 HydrophobicContact CB-CB 4.28Å; I113-E123 HydrophobicContact CB-CG 3.97Å; I113-E123 VanDerWaalsContact CB-OE1 3.29Å; I113-E123 WeakPolarHBondContact CB-OE1 3.43Å; I113-E123 HydrophobicContact CD1-CB 3.96Å; I113-E123 HydrophobicContact CD1-CG 4.32Å; I113-E123 HydrophobicContact CG1-CB 4.01Å; I113-E123 HydrophobicContact CG1-CG 4.26Å; I113-E123 PolarHBondContact N-OE1 3.11Å; I113-E126 HydrophobicContact CD1-CB 3.76Å; I113-E126 HydrophobicContact CD1-CG 3.8Å; I113-I127 HydrophobicContact CD1-CD1 4.03Å; I113-I127 HydrophobicContact CD1-CG1 4.31Å; I113-I127 HydrophobicContact CG1-CD1 4.16Å; I113-I127 HydrophobicContact CG1-CG1 4.48Å
114D94.7Very high94.7Very high100 Ų10037.5 Ų37.554%0.53521%0.213SC..SBendtrans-87.9-13.2-179.474.34.1000113.5N116 E123D114-N116 VanDerWaalsContact CG-ND2 3.35Å; D114-N116 WeakPolarHBondContact OD1-CB 3.35Å; D114-N116 PolarHBondContact OD1-N 3.14Å; D114-N116 PolarHBondContact OD1-ND2 2.86Å; D114-N116 PolarHBondContact OD2-ND2 2.93Å; D114-E123 PolarHBondContact N-OE1 3.04Å; D114-E123 VanDerWaalsContact N-OE1 3.1Å
115G93.9Very high95Very high56 Ų5638.4 Ų38.458%0.57722%0.218SC*.  trans77.223.5178.600000113.3D112 G117D112-G115 WeakPolarHBondContact OD1-CA 3.48Å; D112-G115 PolarHBondContact OD1-N 2.77Å; D112-G115 WeakPolarHBondContact OD2-CA 3.11Å; G115-G117 PolarHBondContact O-N 3.1Å
116N95.6Very high95.2Very high77 Ų7740.6 Ų40.641%0.41223%0.228SC..SBendtrans-77-8.2-177.473.128.6000113.3D112 D114 T118D112-N116 PolarHBondContact OD1-N 2.87Å; D112-N116 VanDerWaalsContact OD1-N 3.14Å; D114-N116 VanDerWaalsContact CG-ND2 3.35Å; D114-N116 WeakPolarHBondContact OD1-CB 3.35Å; D114-N116 PolarHBondContact OD1-N 3.14Å; D114-N116 PolarHBondContact OD1-ND2 2.86Å; D114-N116 PolarHBondContact OD2-ND2 2.93Å; N116-T118 WeakPolarHBondContact OD1-CA 3.31Å; N116-T118 PolarHBondContact OD1-N 3.41Å; N116-T118 PolarHBondContact OD1-O 3.49Å; N116-T118 PolarHBondContact OD1-OG1 2.82Å
117G96Very high95.3Very high39 Ų3938.9 Ų38.940%0.40222%0.222SC..SBendtrans92.99.417900000114.2Y108 D112 G115Y108-G117 PolarHBondContact OH-O 2.94Å; D112-G117 VanDerWaalsContact OD2-CA 3.3Å; D112-G117 WeakPolarHBondContact OD2-CA 3.37Å; D112-G117 PolarHBondContact OD2-N 3.12Å; G115-G117 PolarHBondContact O-N 3.1Å
118T97.4Very high95.3Very high36 Ų3639 Ų3922%0.22122%0.222CC..EExtended strand (participates in β ladder)trans-141.5151.5173.456.20000110.4Y108 N116 V164 L165Y108-T118 WeakPolarHBondContact OH-CA 3.42Å; Y108-T118 PolarHBondContact OH-N 3.02Å; N116-T118 WeakPolarHBondContact OD1-CA 3.31Å; N116-T118 PolarHBondContact OD1-N 3.41Å; N116-T118 PolarHBondContact OD1-O 3.49Å; N116-T118 PolarHBondContact OD1-OG1 2.82Å; T118-V164 HydrophobicContact CG2-CB 4.48Å; T118-V164 HydrophobicContact CG2-CG2 4.19Å; T118-L165 CarbonylContact C-O 3.57Å; T118-L165 WeakPolarHBondContact CA-O 3.12Å
119I97.6Very high95.2Very high0 Ų044 Ų440%024%0.24CC..EExtended strand (participates in β ladder)trans-99.9121176.3-57.5161.9000109.5Y108 Y111 D112 E123 M124 F154 V164 L165 F170Y108-I119 HydrophobicContact CD2-CD1 3.4Å; Y108-I119 VanDerWaalsContact CD2-CD1 3.4Å; Y108-I119 HydrophobicContact CD2-CG1 4.08Å; Y108-I119 HydrophobicContact CE2-CD1 3.46Å; Y108-I119 VanDerWaalsContact CE2-CD1 3.46Å; Y108-I119 HydrophobicContact CE2-CG1 3.72Å; Y108-I119 HydrophobicContact CG-CD1 4.41Å; Y111-I119 VanDerWaalsContact CB-CD1 3.48Å; Y111-I119 HydrophobicContact CG-CD1 4.45Å; D112-I119 HydrophobicContact CB-CG1 4.21Å; I119-E123 WeakPolarHBondContact CA-OE2 3.41Å; I119-E123 HydrophobicContact CG2-CB 4.38Å; I119-M124 HydrophobicContact CG2-CB 4.36Å; I119-F154 WeakPolarHBondContact O-CE2 3.38Å; I119-V164 WeakPolarHBondContact O-CA 3.47Å; I119-L165 HydrophobicContact CB-CB 4.18Å; I119-L165 PolarHBondContact N-O 3.1Å; I119-L165 PolarHBondContact O-N 2.79Å; I119-F170 HydrophobicContact CD1-CB 4.47Å; I119-F170 HydrophobicContact CD1-CD2 3.53Å; I119-F170 HydrophobicContact CD1-CE2 3.94Å; I119-F170 HydrophobicContact CD1-CG 4.12Å
120E97.4Very high95.1Very high79 Ų7940.7 Ų40.737%0.36923%0.225SC..EExtended strand (participates in β ladder)trans-85.9155.6172.3-58.2-177.1166.900111.8T122 E123 M124 V164E120-T122 PolarHBondContact O-N 3.09Å; E120-T122 PolarHBondContact OE2-OG1 2.88Å; E120-E123 HydrophobicContact CB-CG 4.12Å; E120-E123 PolarHBondContact N-OE2 3.42Å; E120-E123 WeakPolarHBondContact O-CB 3.3Å; E120-E123 PolarHBondContact O-N 3.11Å; E120-M124 PolarHBondContact O-N 3.08Å; E120-M124 VanDerWaalsContact O-N 3.08Å; E120-V164 HydrophobicContact CG-CG1 4.32Å
121R95.9Very high94.8Very high67 Ų6740.8 Ų40.825%0.25323%0.226SC..Hα-helixtrans-53.6-42177.5-69.2-179.4-178.4-86.5-3.9112.6E123 M124 V125 E151 F154 D155 D158R121-E123 VanDerWaalsContact C-N 3.27Å; R121-E123 PolarHBondContact O-N 3.38Å; R121-M124 PolarHBondContact O-N 3.35Å; R121-V125 VanDerWaalsContact O-CG2 3.29Å; R121-V125 WeakPolarHBondContact O-CG2 3.39Å; R121-V125 PolarHBondContact O-N 2.97Å; R121-E151 IonicContact CZ-OE1 2.69Å; R121-E151 IonicContact CZ-OE2 2.74Å; R121-E151 IonicContact NH1-OE1 3Å; R121-E151 PolarHBondContact NH1-OE1 2.87Å; R121-E151 IonicContact NH1-OE2 2.84Å; R121-E151 PolarHBondContact NH1-OE2 3.11Å; R121-F154 HydrophobicContact CB-CD2 4.27Å; R121-F154 HydrophobicContact CB-CE2 4.2Å; R121-F154 HydrophobicContact CG-CD1 3.82Å; R121-F154 HydrophobicContact CG-CD2 3.59Å; R121-F154 HydrophobicContact CG-CE1 3.73Å; R121-F154 HydrophobicContact CG-CE2 3.52Å; R121-F154 HydrophobicContact CG-CG 3.73Å; R121-F154 HydrophobicContact CG-CZ 3.57Å; R121-F154 VanDerWaalsContact N-CE2 3.34Å; R121-D155 IonicContact CZ-OD1 3.14Å; R121-D155 VanDerWaalsContact CZ-OD1 3.27Å; R121-D155 IonicContact NH1-OD1 2.78Å; R121-D155 PolarHBondContact NH1-OD1 2.93Å; R121-D155 IonicContact NH2-OD1 3.5Å; R121-D155 PolarHBondContact NH2-OD1 2.78Å; R121-D158 IonicContact NH2-OD2 2.9Å
122T96.9Very high94.4Very high95 Ų9542.5 Ų42.558%0.58323%0.233SC*.Hα-helixtrans-61.3-36.917834.10000112.5E120 E126E120-T122 PolarHBondContact O-N 3.09Å; E120-T122 PolarHBondContact OE2-OG1 2.88Å; T122-E126 PolarHBondContact O-N 3Å; T122-E126 VanDerWaalsContact O-N 3.11Å
123E97.5Very high94Very high11 Ų1143.6 Ų43.65%0.05124%0.241CC..Hα-helixtrans-71.9-42.6178.7-58.8-179.1121.800111.3Y111 I113 D114 I119 E120 R121 V125 E126 I127Y111-E123 WeakPolarHBondContact O-CB 3.44Å; I113-E123 VanDerWaalsContact CA-OE1 3.31Å; I113-E123 WeakPolarHBondContact CA-OE1 3.29Å; I113-E123 HydrophobicContact CB-CB 4.28Å; I113-E123 HydrophobicContact CB-CG 3.97Å; I113-E123 VanDerWaalsContact CB-OE1 3.29Å; I113-E123 WeakPolarHBondContact CB-OE1 3.43Å; I113-E123 HydrophobicContact CD1-CB 3.96Å; I113-E123 HydrophobicContact CD1-CG 4.32Å; I113-E123 HydrophobicContact CG1-CB 4.01Å; I113-E123 HydrophobicContact CG1-CG 4.26Å; I113-E123 PolarHBondContact N-OE1 3.11Å; D114-E123 PolarHBondContact N-OE1 3.04Å; D114-E123 VanDerWaalsContact N-OE1 3.1Å; I119-E123 WeakPolarHBondContact CA-OE2 3.41Å; I119-E123 HydrophobicContact CG2-CB 4.38Å; E120-E123 HydrophobicContact CB-CG 4.12Å; E120-E123 PolarHBondContact N-OE2 3.42Å; E120-E123 WeakPolarHBondContact O-CB 3.3Å; E120-E123 PolarHBondContact O-N 3.11Å; R121-E123 VanDerWaalsContact C-N 3.27Å; R121-E123 PolarHBondContact O-N 3.38Å; E123-V125 VanDerWaalsContact C-N 3.34Å; E123-V125 PolarHBondContact O-N 3.4Å; E123-E126 WeakPolarHBondContact O-CB 3.46Å; E123-E126 PolarHBondContact O-N 3.08Å; E123-E126 VanDerWaalsContact O-N 3.11Å; E123-I127 PolarHBondContact O-N 3.38Å; E123-I127 VanDerWaalsContact O-N 3.07Å
124M94.7Very high93.5Very high0 Ų042.2 Ų42.20%023%0.234CC..Hα-helixtrans-58.5-46.1174.5-174.5176.2-69.700112Y111 I119 E120 R121 E126 I127 I128 A150 I153 F154 L165Y111-M124 HydrophobicContact CD1-CG 4.38Å; Y111-M124 HydrophobicContact CE1-CG 4.29Å; I119-M124 HydrophobicContact CG2-CB 4.36Å; E120-M124 PolarHBondContact O-N 3.08Å; E120-M124 VanDerWaalsContact O-N 3.08Å; R121-M124 PolarHBondContact O-N 3.35Å; M124-E126 VanDerWaalsContact C-N 3.28Å; M124-E126 PolarHBondContact O-N 3.19Å; M124-I127 PolarHBondContact O-N 3.07Å; M124-I128 HydrophobicContact CG-CD1 3.78Å; M124-I128 HydrophobicContact CG-CG1 4.49Å; M124-I128 WeakPolarHBondContact O-CG1 3.26Å; M124-I128 PolarHBondContact O-N 2.89Å; M124-I128 HydrophobicContact SD-CD1 4.45Å; M124-A150 HydrophobicContact CG-CB 4.02Å; M124-A150 HydrophobicContact SD-CB 4.36Å; M124-I153 HydrophobicContact CE-CG2 3.9Å; M124-I153 HydrophobicContact SD-CB 3.88Å; M124-I153 HydrophobicContact SD-CG2 3.72Å; M124-F154 HydrophobicContact CB-CD2 4.4Å; M124-F154 HydrophobicContact CE-CB 4.27Å; M124-F154 HydrophobicContact CE-CD2 3.74Å; M124-F154 HydrophobicContact CE-CG 4.39Å; M124-F154 HydrophobicContact SD-CB 3.87Å; M124-F154 HydrophobicContact SD-CD2 3.98Å; M124-F154 HydrophobicContact SD-CG 4.43Å; M124-L165 HydrophobicContact CE-CD1 3.4Å; M124-L165 VanDerWaalsContact CE-CD1 3.4Å
125V94.7Very high92.9Very high20 Ų2039.7 Ų39.712%0.12122%0.22CC..Hα-helixtrans-58.6-41.6175.5172.80000111.2R121 E123 I128 R129 E147 A150R121-V125 VanDerWaalsContact O-CG2 3.29Å; R121-V125 WeakPolarHBondContact O-CG2 3.39Å; R121-V125 PolarHBondContact O-N 2.97Å; E123-V125 VanDerWaalsContact C-N 3.34Å; E123-V125 PolarHBondContact O-N 3.4Å; V125-I128 PolarHBondContact O-N 2.88Å; V125-R129 HydrophobicContact CG1-CG 4.25Å; V125-R129 WeakPolarHBondContact O-CB 3.27Å; V125-R129 VanDerWaalsContact O-CG 3.24Å; V125-R129 WeakPolarHBondContact O-CG 3.45Å; V125-R129 PolarHBondContact O-N 2.99Å; V125-E147 HydrophobicContact CG1-CG 4.05Å; V125-A150 HydrophobicContact CB-CB 4.19Å; V125-A150 HydrophobicContact CG2-CB 3.39Å
126E95.5Very high92.1Very high95 Ų9537.6 Ų37.644%0.44420%0.198SC..Hα-helixtrans-63.4-46.4-179.2-178.1164.6158.400112.2H70 I113 T122 E123 M124 R129 A130H70-E126 IonicContact CE1-OE1 3.27Å; H70-E126 PolarHBondContact CE1-OE1 3.15Å; H70-E126 IonicContact NE2-OE1 3.93Å; I113-E126 HydrophobicContact CD1-CB 3.76Å; I113-E126 HydrophobicContact CD1-CG 3.8Å; T122-E126 PolarHBondContact O-N 3Å; T122-E126 VanDerWaalsContact O-N 3.11Å; E123-E126 WeakPolarHBondContact O-CB 3.46Å; E123-E126 PolarHBondContact O-N 3.08Å; E123-E126 VanDerWaalsContact O-N 3.11Å; M124-E126 VanDerWaalsContact C-N 3.28Å; M124-E126 PolarHBondContact O-N 3.19Å; E126-R129 PolarHBondContact O-N 2.93Å; E126-A130 WeakPolarHBondContact O-CB 3.41Å; E126-A130 PolarHBondContact O-N 3.36Å
127I93.5Very high90.4Very high0 Ų040 Ų400%022%0.216CC..Hα-helixtrans-64.5-44.4176.8-59.8-52.9000111.3H70 M110 Y111 I113 E123 M124 R129 A130 I131H70-I127 HydrophobicContact CB-CD1 3.73Å; H70-I127 VanDerWaalsContact CD2-CD1 3.45Å; H70-I127 WeakPolarHBondContact CD2-CD1 3.47Å; H70-I127 WeakPolarHBondContact ND1-CD1 3.39Å; M110-I127 HydrophobicContact CG-CD1 4.46Å; M110-I127 WeakPolarHBondContact O-CD1 3.47Å; Y111-I127 HydrophobicContact CD1-CB 3.75Å; Y111-I127 HydrophobicContact CD1-CG1 3.83Å; Y111-I127 HydrophobicContact CD1-CG2 3.95Å; Y111-I127 HydrophobicContact CE1-CB 3.53Å; Y111-I127 HydrophobicContact CE1-CG1 4.15Å; Y111-I127 HydrophobicContact CE1-CG2 3.44Å; Y111-I127 VanDerWaalsContact CE1-CG2 3.44Å; Y111-I127 HydrophobicContact CE2-CG2 4.14Å; Y111-I127 HydrophobicContact CG-CG1 4.32Å; Y111-I127 HydrophobicContact CG-CG2 4.49Å; I113-I127 HydrophobicContact CD1-CD1 4.03Å; I113-I127 HydrophobicContact CD1-CG1 4.31Å; I113-I127 HydrophobicContact CG1-CD1 4.16Å; I113-I127 HydrophobicContact CG1-CG1 4.48Å; E123-I127 PolarHBondContact O-N 3.38Å; E123-I127 VanDerWaalsContact O-N 3.07Å; M124-I127 PolarHBondContact O-N 3.07Å; I127-R129 PolarHBondContact O-N 2.83Å; I127-A130 WeakPolarHBondContact O-CA 3.44Å; I127-A130 WeakPolarHBondContact O-CB 3.4Å; I127-A130 PolarHBondContact O-N 3.44Å; I127-I131 HydrophobicContact CG2-CD1 4Å; I127-I131 HydrophobicContact CG2-CG1 4.47Å; I127-I131 WeakPolarHBondContact O-CG1 3.37Å; I127-I131 PolarHBondContact O-N 2.85Å
128I91.1Very high88.6Confident5 Ų545.6 Ų45.63%0.02624%0.237CC..Hα-helixtrans-64.4-41.2179.8-67.6173.2000111Y111 M124 V125 A130 I131 Y132 P146 R149 A150 I153Y111-I128 HydrophobicContact CE1-CG1 4.47Å; M124-I128 HydrophobicContact CG-CD1 3.78Å; M124-I128 HydrophobicContact CG-CG1 4.49Å; M124-I128 WeakPolarHBondContact O-CG1 3.26Å; M124-I128 PolarHBondContact O-N 2.89Å; M124-I128 HydrophobicContact SD-CD1 4.45Å; V125-I128 PolarHBondContact O-N 2.88Å; I128-A130 VanDerWaalsContact C-N 3.27Å; I128-A130 PolarHBondContact O-N 3.44Å; I128-I131 PolarHBondContact O-N 3.23Å; I128-Y132 HydrophobicContact CG2-CD1 3.89Å; I128-Y132 HydrophobicContact CG2-CE1 3.66Å; I128-Y132 VanDerWaalsContact O-CD1 3.24Å; I128-Y132 WeakPolarHBondContact O-CD1 3.34Å; I128-Y132 PolarHBondContact O-N 3.44Å; I128-P146 HydrophobicContact CG2-CB 3.99Å; I128-R149 HydrophobicContact CD1-CG 4.38Å; I128-R149 HydrophobicContact CG2-CB 4.36Å; I128-R149 HydrophobicContact CG2-CG 4.3Å; I128-A150 VanDerWaalsContact CD1-CA 3.48Å; I128-A150 HydrophobicContact CD1-CB 3.71Å; I128-I153 HydrophobicContact CD1-CD1 3.89Å
129R91.7Very high86.4Confident116 Ų11649.5 Ų49.544%0.43826%0.256SS..Hα-helixtrans-59.1-40171.7-77.1174176.9151.7-0.6111.7V125 E126 I127 S133 P146 E147V125-R129 HydrophobicContact CG1-CG 4.25Å; V125-R129 WeakPolarHBondContact O-CB 3.27Å; V125-R129 VanDerWaalsContact O-CG 3.24Å; V125-R129 WeakPolarHBondContact O-CG 3.45Å; V125-R129 PolarHBondContact O-N 2.99Å; E126-R129 PolarHBondContact O-N 2.93Å; I127-R129 PolarHBondContact O-N 2.83Å; R129-S133 VanDerWaalsContact O-CB 3.24Å; R129-S133 WeakPolarHBondContact O-CB 3.31Å; R129-S133 PolarHBondContact O-N 3.19Å; R129-P146 HydrophobicContact CB-CB 4.39Å; R129-P146 HydrophobicContact CG-CB 3.53Å; R129-P146 HydrophobicContact CG-CG 4.02Å; R129-E147 IonicContact CZ-OE1 3.16Å; R129-E147 IonicContact NE-OE1 3.78Å; R129-E147 PolarHBondContact NE-OE1 3.24Å; R129-E147 IonicContact NH2-OE1 3.19Å; R129-E147 PolarHBondContact NH2-OE1 2.9Å
130A91.7Very high84.2Confident1 Ų150.9 Ų50.91%0.00827%0.265CS..Hα-helixtrans-65.5-39.8177.800000111.9K66 F67 E126 I127 I128 M134K66-A130 HydrophobicContact CB-CB 3.76Å; F67-A130 HydrophobicContact CB-CB 4.22Å; E126-A130 WeakPolarHBondContact O-CB 3.41Å; E126-A130 PolarHBondContact O-N 3.36Å; I127-A130 WeakPolarHBondContact O-CA 3.44Å; I127-A130 WeakPolarHBondContact O-CB 3.4Å; I127-A130 PolarHBondContact O-N 3.44Å; I128-A130 VanDerWaalsContact C-N 3.27Å; I128-A130 PolarHBondContact O-N 3.44Å; A130-M134 WeakPolarHBondContact O-CB 3.16Å; A130-M134 PolarHBondContact O-N 3.05Å
131I87.7Confident82.1Confident9 Ų952 Ų525%0.04629%0.288CS..Hα-helixtrans-64.1-49.7174.3-67167.3000110.6F67 I127 I128 S133 M134 L135 A186F67-I131 HydrophobicContact CD2-CG1 3.7Å; F67-I131 HydrophobicContact CE2-CD1 4.34Å; F67-I131 HydrophobicContact CE2-CG1 3.71Å; I127-I131 HydrophobicContact CG2-CD1 4Å; I127-I131 HydrophobicContact CG2-CG1 4.47Å; I127-I131 WeakPolarHBondContact O-CG1 3.37Å; I127-I131 PolarHBondContact O-N 2.85Å; I128-I131 PolarHBondContact O-N 3.23Å; I131-S133 VanDerWaalsContact C-N 3.29Å; I131-S133 PolarHBondContact O-N 3.1Å; I131-M134 WeakPolarHBondContact O-CB 3.33Å; I131-M134 PolarHBondContact O-N 2.98Å; I131-L135 HydrophobicContact CG2-CD1 3.88Å; I131-L135 HydrophobicContact CG2-CG 4.36Å; I131-L135 WeakPolarHBondContact O-CG 3.46Å; I131-L135 PolarHBondContact O-N 3.19Å; I131-A186 HydrophobicContact CG2-CB 4.01Å
132Y86.4Confident80.2Confident40 Ų4051.3 Ų51.316%0.15729%0.291CS..Hα-helixtrans-60.9-41.7179.6-82.643.7000111.1I128 M134 L135 G136 T140 P146I128-Y132 HydrophobicContact CG2-CD1 3.89Å; I128-Y132 HydrophobicContact CG2-CE1 3.66Å; I128-Y132 VanDerWaalsContact O-CD1 3.24Å; I128-Y132 WeakPolarHBondContact O-CD1 3.34Å; I128-Y132 PolarHBondContact O-N 3.44Å; Y132-M134 VanDerWaalsContact C-N 3.32Å; Y132-M134 PolarHBondContact O-N 3.01Å; Y132-L135 PolarHBondContact O-N 3.38Å; Y132-G136 PolarHBondContact O-N 3.42Å; Y132-T140 HydrophobicContact CD2-CG2 4.45Å; Y132-T140 HydrophobicContact CG-CG2 4.49Å; Y132-P146 HydrophobicContact CD2-CB 4.48Å; Y132-P146 HydrophobicContact CD2-CG 3.6Å; Y132-P146 HydrophobicContact CE2-CG 4.08Å; Y132-P146 HydrophobicContact CG-CG 3.98Å
133S87.9Confident78.9Confident34 Ų3455 Ų5524%0.23831%0.307CS..Hα-helixtrans-58.5-43.1172.9176.50000111.8N63 R129 I131N63-S133 PolarHBondContact N-O 3.13Å; N63-S133 CarbonylContact O-C 3.44Å; N63-S133 PolarHBondContact O-OG 2.82Å; R129-S133 VanDerWaalsContact O-CB 3.24Å; R129-S133 WeakPolarHBondContact O-CB 3.31Å; R129-S133 PolarHBondContact O-N 3.19Å; I131-S133 VanDerWaalsContact C-N 3.29Å; I131-S133 PolarHBondContact O-N 3.1Å
134M86Confident78.2Confident7 Ų757.5 Ų57.53%0.03432%0.32CS..Hα-helixtrans-67.9-39.1179.7-179.4179.572.300113F59 G62 N63 A64 F67 A130 I131 Y132 G136F59-M134 HydrophobicContact CB-CG 4.2Å; F59-M134 HydrophobicContact CD1-CG 4.23Å; F59-M134 HydrophobicContact CD2-CG 4.02Å; F59-M134 HydrophobicContact CD2-SD 3.97Å; F59-M134 HydrophobicContact CE1-CE 4.38Å; F59-M134 HydrophobicContact CE2-CE 4.35Å; F59-M134 HydrophobicContact CE2-CG 4.48Å; F59-M134 HydrophobicContact CE2-SD 3.92Å; F59-M134 HydrophobicContact CG-CG 3.89Å; F59-M134 HydrophobicContact CG-SD 4.39Å; F59-M134 HydrophobicContact CZ-CE 4.14Å; F59-M134 HydrophobicContact CZ-SD 4.3Å; G62-M134 WeakPolarHBondContact CA-O 3.46Å; N63-M134 WeakPolarHBondContact O-CA 3.26Å; N63-M134 PolarHBondContact O-N 3.19Å; A64-M134 HydrophobicContact CB-CG 3.88Å; A64-M134 HydrophobicContact CB-SD 4.33Å; F67-M134 HydrophobicContact CB-CB 4.21Å; F67-M134 HydrophobicContact CB-SD 3.98Å; F67-M134 HydrophobicContact CD1-CE 3.85Å; F67-M134 HydrophobicContact CD1-SD 3.28Å; F67-M134 WeakPolarHBondContact CD1-SD 3.37Å; F67-M134 HydrophobicContact CE1-CE 3.98Å; F67-M134 HydrophobicContact CE1-SD 3.9Å; F67-M134 HydrophobicContact CG-CE 4.15Å; F67-M134 HydrophobicContact CG-SD 3.75Å; F67-M134 HydrophobicContact CZ-CE 4.43Å; A130-M134 WeakPolarHBondContact O-CB 3.16Å; A130-M134 PolarHBondContact O-N 3.05Å; I131-M134 WeakPolarHBondContact O-CB 3.33Å; I131-M134 PolarHBondContact O-N 2.98Å; Y132-M134 VanDerWaalsContact C-N 3.32Å; Y132-M134 PolarHBondContact O-N 3.01Å; M134-G136 VanDerWaalsContact C-N 3.33Å
135L82.1Confident77.9Confident47 Ų4760.1 Ų60.125%0.24634%0.338CS..Hα-helixtrans-76-24-179.5-64.7175.7000112.5F59 I131 Y132 N139 T140F59-L135 HydrophobicContact CE1-CD2 4.22Å; I131-L135 HydrophobicContact CG2-CD1 3.88Å; I131-L135 HydrophobicContact CG2-CG 4.36Å; I131-L135 WeakPolarHBondContact O-CG 3.46Å; I131-L135 PolarHBondContact O-N 3.19Å; Y132-L135 PolarHBondContact O-N 3.38Å; L135-N139 HydrophobicContact CB-CB 4.46Å; L135-N139 WeakPolarHBondContact O-CB 3.48Å; L135-N139 PolarHBondContact O-ND2 3.24Å; L135-T140 HydrophobicContact CB-CG2 4.44Å; L135-T140 HydrophobicContact CD1-CG2 4.33Å
136G76Confident77.6Confident11 Ų1160.4 Ų60.411%0.11334%0.34CS..  trans81.5157.4-176.300000112.2Y132 M134 D138 N139Y132-G136 PolarHBondContact O-N 3.42Å; M134-G136 VanDerWaalsContact C-N 3.33Å; G136-D138 PolarHBondContact O-N 2.96Å; G136-N139 PolarHBondContact O-N 3.12Å
137T61.7Low77.5Confident129 Ų12959.4 Ų59.479%0.79134%0.336SS*.THydrogen-bonded Turntrans-67.4-19.7-173.849.30000114.1
138D56.8Low77.4Confident156 Ų15661.5 Ų61.583%0.83435%0.353SS*.THydrogen-bonded Turntrans-89.8-18.7-177.5-73.7-14.7000113.6G136G136-D138 PolarHBondContact O-N 2.96Å
139N52Low77.2Confident117 Ų11763.1 Ų63.163%0.62636%0.359SS*.THydrogen-bonded Turntrans-91.5-18.7-180-75.2-37.8000113.5L135 G136 A141L135-N139 HydrophobicContact CB-CB 4.46Å; L135-N139 WeakPolarHBondContact O-CB 3.48Å; L135-N139 PolarHBondContact O-ND2 3.24Å; G136-N139 PolarHBondContact O-N 3.12Å; N139-A141 PolarHBondContact O-N 3.47Å
140T51.8Low77.2Confident30 Ų3057.7 Ų57.718%0.18434%0.339CS..  trans-92.591170.259.30000108.1Y132 L135 V142Y132-T140 HydrophobicContact CD2-CG2 4.45Å; Y132-T140 HydrophobicContact CG-CG2 4.49Å; L135-T140 HydrophobicContact CB-CG2 4.44Å; L135-T140 HydrophobicContact CD1-CG2 4.33Å; T140-V142 PolarHBondContact O-N 3Å
141A51.6Low77.3Confident103 Ų10361.5 Ų61.585%0.85136%0.357SS*.  trans-65.634.7161.300000111.8N139N139-A141 PolarHBondContact O-N 3.47Å
142V57.8Low77.4Confident51 Ų5164.2 Ų64.231%0.30937%0.369SS..  trans-110104.6-167.1-175.60000106.9T140 I144T140-V142 PolarHBondContact O-N 3Å; V142-I144 HydrophobicContact CG1-CB 4.02Å; V142-I144 HydrophobicContact CG1-CG1 4.44Å; V142-I144 PolarHBondContact O-N 2.97Å
143D69.7Low77.6Confident173 Ų17362.3 Ų62.393%0.92536%0.362SS*.  trans-66.58.7177.6-74.4-31.2000114
144I82.1Confident77.9Confident63 Ų6360.8 Ų60.832%0.32335%0.351SS..SBendtrans-112.8125.1-173.9-53.6179.9000108.4V142 A148 R149V142-I144 HydrophobicContact CG1-CB 4.02Å; V142-I144 HydrophobicContact CG1-CG1 4.44Å; V142-I144 PolarHBondContact O-N 2.97Å; I144-A148 HydrophobicContact CG2-CB 3.49Å; I144-A148 VanDerWaalsContact CG2-CB 3.49Å; I144-R149 HydrophobicContact CG2-CB 4.28Å
145S88.1Confident78.2Confident56 Ų5664.8 Ų64.839%0.39237%0.373SS..  trans-59.7151.3174.260.70000111.6E147 A148 R149S145-E147 WeakPolarHBondContact CB-OE2 3.44Å; S145-E147 PolarHBondContact O-N 3.21Å; S145-E147 VanDerWaalsContact O-N 3.07Å; S145-A148 PolarHBondContact O-N 2.97Å; S145-A148 VanDerWaalsContact O-N 3.12Å; S145-A148 VanDerWaalsContact OG-CB 3.31Å; S145-A148 WeakPolarHBondContact OG-CB 3.42Å; S145-A148 PolarHBondContact OG-N 3.2Å; S145-R149 PolarHBondContact O-N 3.36Å
146P88Confident78.6Confident25 Ų2567 Ų6716%0.16238%0.38CS..Hα-helixtrans-47.5-38.4173.3-2833.4000114.1I128 R129 Y132 R149 A150I128-P146 HydrophobicContact CG2-CB 3.99Å; R129-P146 HydrophobicContact CB-CB 4.39Å; R129-P146 HydrophobicContact CG-CB 3.53Å; R129-P146 HydrophobicContact CG-CG 4.02Å; Y132-P146 HydrophobicContact CD2-CB 4.48Å; Y132-P146 HydrophobicContact CD2-CG 3.6Å; Y132-P146 HydrophobicContact CE2-CG 4.08Å; Y132-P146 HydrophobicContact CG-CG 3.98Å; P146-R149 PolarHBondContact O-N 3.28Å; P146-A150 WeakPolarHBondContact O-CB 3.24Å; P146-A150 PolarHBondContact O-N 2.9Å
147E93.4Very high79.4Confident74 Ų7466.5 Ų66.535%0.34638%0.375SS..Hα-helixtrans-66.6-51.1-179.4-62.474.9-169.600111.6V125 R129 S145 R149 A150 E151V125-E147 HydrophobicContact CG1-CG 4.05Å; R129-E147 IonicContact CZ-OE1 3.16Å; R129-E147 IonicContact NE-OE1 3.78Å; R129-E147 PolarHBondContact NE-OE1 3.24Å; R129-E147 IonicContact NH2-OE1 3.19Å; R129-E147 PolarHBondContact NH2-OE1 2.9Å; S145-E147 WeakPolarHBondContact CB-OE2 3.44Å; S145-E147 PolarHBondContact O-N 3.21Å; S145-E147 VanDerWaalsContact O-N 3.07Å; E147-R149 VanDerWaalsContact C-N 3.26Å; E147-R149 PolarHBondContact O-N 3.16Å; E147-A150 WeakPolarHBondContact O-CB 3.4Å; E147-A150 PolarHBondContact O-N 3.49Å; E147-E151 PolarHBondContact O-N 2.86Å
148A91.1Very high81Confident45 Ų4561.1 Ų61.137%0.37234%0.341SS..Hα-helixtrans-63.1-34.2176.300000112I144 S145 E152I144-A148 HydrophobicContact CG2-CB 3.49Å; I144-A148 VanDerWaalsContact CG2-CB 3.49Å; S145-A148 PolarHBondContact O-N 2.97Å; S145-A148 VanDerWaalsContact O-N 3.12Å; S145-A148 VanDerWaalsContact OG-CB 3.31Å; S145-A148 WeakPolarHBondContact OG-CB 3.42Å; S145-A148 PolarHBondContact OG-N 3.2Å; A148-E152 WeakPolarHBondContact O-CB 3.43Å; A148-E152 PolarHBondContact O-N 3.43Å
149R88.3Confident82.6Confident38 Ų3859.4 Ų59.414%0.14333%0.328CS..Hα-helixtrans-67.2-43.5174-179.158.661.7113.83.5111.7I128 I144 S145 P146 E147 E151 E152 I153 M183I128-R149 HydrophobicContact CD1-CG 4.38Å; I128-R149 HydrophobicContact CG2-CB 4.36Å; I128-R149 HydrophobicContact CG2-CG 4.3Å; I144-R149 HydrophobicContact CG2-CB 4.28Å; S145-R149 PolarHBondContact O-N 3.36Å; P146-R149 PolarHBondContact O-N 3.28Å; E147-R149 VanDerWaalsContact C-N 3.26Å; E147-R149 PolarHBondContact O-N 3.16Å; R149-E151 VanDerWaalsContact C-N 3.35Å; R149-E152 PolarHBondContact O-N 2.74Å; R149-I153 HydrophobicContact CG-CD1 3.98Å; R149-I153 VanDerWaalsContact O-CG1 3.31Å; R149-I153 WeakPolarHBondContact O-CG1 3.31Å; R149-I153 PolarHBondContact O-N 2.87Å; R149-I153 VanDerWaalsContact O-N 3.14Å; R149-M183 VanDerWaalsContact NH1-CE 3.25Å; R149-M183 PolarHBondContact NH1-SD 2.76Å
150A91.9Very high84.6Confident2 Ų258.1 Ų58.12%0.01732%0.321CS..Hα-helixtrans-60.2-47.1175.800000111.1M124 V125 I128 P146 E147 E152 I153 F154M124-A150 HydrophobicContact CG-CB 4.02Å; M124-A150 HydrophobicContact SD-CB 4.36Å; V125-A150 HydrophobicContact CB-CB 4.19Å; V125-A150 HydrophobicContact CG2-CB 3.39Å; I128-A150 VanDerWaalsContact CD1-CA 3.48Å; I128-A150 HydrophobicContact CD1-CB 3.71Å; P146-A150 WeakPolarHBondContact O-CB 3.24Å; P146-A150 PolarHBondContact O-N 2.9Å; E147-A150 WeakPolarHBondContact O-CB 3.4Å; E147-A150 PolarHBondContact O-N 3.49Å; A150-E152 PolarHBondContact O-N 2.97Å; A150-I153 PolarHBondContact O-N 2.83Å; A150-F154 VanDerWaalsContact O-CB 3.31Å; A150-F154 WeakPolarHBondContact O-CB 3.2Å; A150-F154 PolarHBondContact O-N 3.46Å
151E92.7Very high86.7Confident82 Ų8259.5 Ų59.538%0.38334%0.342SS..Hα-helixtrans-61.8-43.5-179.5-165.467.8178.500111.9R121 E147 R149 I153 F154 D155R121-E151 IonicContact CZ-OE1 2.69Å; R121-E151 IonicContact CZ-OE2 2.74Å; R121-E151 IonicContact NH1-OE1 3Å; R121-E151 PolarHBondContact NH1-OE1 2.87Å; R121-E151 IonicContact NH1-OE2 2.84Å; R121-E151 PolarHBondContact NH1-OE2 3.11Å; E147-E151 PolarHBondContact O-N 2.86Å; R149-E151 VanDerWaalsContact C-N 3.35Å; E151-I153 VanDerWaalsContact C-N 3.34Å; E151-I153 PolarHBondContact O-N 2.62Å; E151-F154 PolarHBondContact O-N 3.23Å; E151-D155 WeakPolarHBondContact O-CB 3.33Å; E151-D155 PolarHBondContact O-N 3.21Å
152E89.6Confident88.8Confident65 Ų6559 Ų5930%0.30433%0.325SS..Hα-helixtrans-59.8-42.6176.3-172.3-167162.500112.4A148 R149 A150 K156A148-E152 WeakPolarHBondContact O-CB 3.43Å; A148-E152 PolarHBondContact O-N 3.43Å; R149-E152 PolarHBondContact O-N 2.74Å; A150-E152 PolarHBondContact O-N 2.97Å; E152-K156 WeakPolarHBondContact O-CD 3.49Å; E152-K156 VanDerWaalsContact O-CG 3.29Å; E152-K156 WeakPolarHBondContact O-CG 3.37Å; E152-K156 PolarHBondContact O-N 2.69Å; E152-K156 IonicContact OE1-NZ 3.74Å; E152-K156 PolarHBondContact OE1-NZ 3.5Å
153I90.3Very high90.7Very high1 Ų157.9 Ų57.91%0.00532%0.324CS..Hα-helixtrans-68.7-46.3179.2-68167.5000109.9M124 I128 R149 A150 E151 K156 M157 L180 M183 L184M124-I153 HydrophobicContact CE-CG2 3.9Å; M124-I153 HydrophobicContact SD-CB 3.88Å; M124-I153 HydrophobicContact SD-CG2 3.72Å; I128-I153 HydrophobicContact CD1-CD1 3.89Å; R149-I153 HydrophobicContact CG-CD1 3.98Å; R149-I153 VanDerWaalsContact O-CG1 3.31Å; R149-I153 WeakPolarHBondContact O-CG1 3.31Å; R149-I153 PolarHBondContact O-N 2.87Å; R149-I153 VanDerWaalsContact O-N 3.14Å; A150-I153 PolarHBondContact O-N 2.83Å; E151-I153 VanDerWaalsContact C-N 3.34Å; E151-I153 PolarHBondContact O-N 2.62Å; I153-K156 PolarHBondContact O-N 2.9Å; I153-M157 HydrophobicContact CG2-CE 4.16Å; I153-M157 HydrophobicContact CG2-SD 4.13Å; I153-M157 WeakPolarHBondContact O-CG 3.41Å; I153-M157 PolarHBondContact O-N 3.43Å; I153-L180 HydrophobicContact CB-CD2 4.22Å; I153-L180 HydrophobicContact CG1-CD2 3.83Å; I153-L180 HydrophobicContact CG2-CD2 4.14Å; I153-M183 HydrophobicContact CD1-CB 4.03Å; I153-M183 HydrophobicContact CD1-SD 4.2Å; I153-M183 HydrophobicContact CG1-SD 4.16Å; I153-L184 HydrophobicContact CD1-CD2 4.44Å; I153-L184 HydrophobicContact CG2-CD1 4.46Å; I153-L184 HydrophobicContact CG2-CD2 4.14Å; I153-L184 HydrophobicContact CG2-CG 4.42Å
154F93.9Very high92Very high1 Ų151.3 Ų51.30%0.00429%0.289CS..Hα-helixtrans-62.5-48.7-176.9-158.4-71.5000111.3I119 R121 M124 A150 E151 K156 M157 D158 G163 L165I119-F154 WeakPolarHBondContact O-CE2 3.38Å; R121-F154 HydrophobicContact CB-CD2 4.27Å; R121-F154 HydrophobicContact CB-CE2 4.2Å; R121-F154 HydrophobicContact CG-CD1 3.82Å; R121-F154 HydrophobicContact CG-CD2 3.59Å; R121-F154 HydrophobicContact CG-CE1 3.73Å; R121-F154 HydrophobicContact CG-CE2 3.52Å; R121-F154 HydrophobicContact CG-CG 3.73Å; R121-F154 HydrophobicContact CG-CZ 3.57Å; R121-F154 VanDerWaalsContact N-CE2 3.34Å; M124-F154 HydrophobicContact CB-CD2 4.4Å; M124-F154 HydrophobicContact CE-CB 4.27Å; M124-F154 HydrophobicContact CE-CD2 3.74Å; M124-F154 HydrophobicContact CE-CG 4.39Å; M124-F154 HydrophobicContact SD-CB 3.87Å; M124-F154 HydrophobicContact SD-CD2 3.98Å; M124-F154 HydrophobicContact SD-CG 4.43Å; A150-F154 VanDerWaalsContact O-CB 3.31Å; A150-F154 WeakPolarHBondContact O-CB 3.2Å; A150-F154 PolarHBondContact O-N 3.46Å; E151-F154 PolarHBondContact O-N 3.23Å; F154-K156 PolarHBondContact O-N 3.39Å; F154-M157 PolarHBondContact O-N 3.23Å; F154-D158 HydrophobicContact CD1-CB 3.8Å; F154-D158 HydrophobicContact CE1-CB 3.72Å; F154-D158 WeakPolarHBondContact O-CB 3.31Å; F154-D158 PolarHBondContact O-N 3.34Å; F154-G163 VanDerWaalsContact CZ-O 3.3Å; F154-G163 WeakPolarHBondContact CZ-O 3.29Å; F154-L165 HydrophobicContact CD1-CD2 4.27Å; F154-L165 HydrophobicContact CD1-CG 4.47Å; F154-L165 HydrophobicContact CD2-CD1 4.06Å; F154-L165 HydrophobicContact CD2-CG 4.11Å; F154-L165 HydrophobicContact CE1-CD2 4.08Å; F154-L165 HydrophobicContact CE1-CG 4.19Å; F154-L165 HydrophobicContact CE2-CD1 4.16Å; F154-L165 HydrophobicContact CE2-CG 3.77Å; F154-L165 HydrophobicContact CG-CD1 4.44Å; F154-L165 HydrophobicContact CG-CG 4.46Å; F154-L165 HydrophobicContact CZ-CD2 4.21Å; F154-L165 HydrophobicContact CZ-CG 3.83Å
155D92.6Very high92.7Very high92 Ų9248.3 Ų48.349%0.49227%0.274SS..Hα-helixtrans-64.3-24.5-179.4-73-6.6000113.2R121 E151R121-D155 IonicContact CZ-OD1 3.14Å; R121-D155 VanDerWaalsContact CZ-OD1 3.27Å; R121-D155 IonicContact NH1-OD1 2.78Å; R121-D155 PolarHBondContact NH1-OD1 2.93Å; R121-D155 IonicContact NH2-OD1 3.5Å; R121-D155 PolarHBondContact NH2-OD1 2.78Å; E151-D155 WeakPolarHBondContact O-CB 3.33Å; E151-D155 PolarHBondContact O-N 3.21Å
156K90.8Very high93.1Very high92 Ų9247.4 Ų47.440%0.427%0.266SS..Hα-helixtrans-78.2-27.8173.5-75.2174.5-176.2173.90113E152 I153 F154 L180E152-K156 WeakPolarHBondContact O-CD 3.49Å; E152-K156 VanDerWaalsContact O-CG 3.29Å; E152-K156 WeakPolarHBondContact O-CG 3.37Å; E152-K156 PolarHBondContact O-N 2.69Å; E152-K156 IonicContact OE1-NZ 3.74Å; E152-K156 PolarHBondContact OE1-NZ 3.5Å; I153-K156 PolarHBondContact O-N 2.9Å; F154-K156 PolarHBondContact O-N 3.39Å; K156-L180 HydrophobicContact CB-CD1 4.06Å; K156-L180 HydrophobicContact CD-CD1 4.32Å; K156-L180 HydrophobicContact CD-CD2 3.99Å; K156-L180 HydrophobicContact CD-CG 4.48Å
157M92.7Very high93.4Very high2 Ų250.3 Ų50.31%0.0127%0.274CS..Hα-helixtrans-96.5-31.6-175.7-68-170.4172.200113.3I153 F154 E159 L165 F170 L180 L184I153-M157 HydrophobicContact CG2-CE 4.16Å; I153-M157 HydrophobicContact CG2-SD 4.13Å; I153-M157 WeakPolarHBondContact O-CG 3.41Å; I153-M157 PolarHBondContact O-N 3.43Å; F154-M157 PolarHBondContact O-N 3.23Å; M157-E159 PolarHBondContact O-N 2.85Å; M157-L165 HydrophobicContact CB-CD1 3.79Å; M157-L165 HydrophobicContact CB-CD2 3.61Å; M157-L165 HydrophobicContact CB-CG 4.36Å; M157-L165 HydrophobicContact CG-CD1 4.49Å; M157-L165 HydrophobicContact SD-CD1 4.01Å; M157-F170 HydrophobicContact SD-CD2 4.18Å; M157-L180 HydrophobicContact CE-CB 3.88Å; M157-L180 HydrophobicContact CE-CD1 3.75Å; M157-L180 HydrophobicContact CE-CG 4.28Å; M157-L180 HydrophobicContact CG-CD1 4.18Å; M157-L184 HydrophobicContact CE-CD1 3.49Å; M157-L184 VanDerWaalsContact CE-CD1 3.49Å; M157-L184 HydrophobicContact SD-CD1 4.38Å
158D95.4Very high93.5Very high16 Ų1652.5 Ų52.59%0.08628%0.284CS..  trans-76.673.6179.6-176.16.2000110.1R121 F154 N160 G161 D162 G163 L165R121-D158 IonicContact NH2-OD2 2.9Å; F154-D158 HydrophobicContact CD1-CB 3.8Å; F154-D158 HydrophobicContact CE1-CB 3.72Å; F154-D158 WeakPolarHBondContact O-CB 3.31Å; F154-D158 PolarHBondContact O-N 3.34Å; D158-N160 PolarHBondContact O-N 3.48Å; D158-G161 PolarHBondContact O-N 3.07Å; D158-G161 VanDerWaalsContact OD1-CA 3.25Å; D158-G161 WeakPolarHBondContact OD1-CA 3.45Å; D158-G161 PolarHBondContact OD1-N 3.14Å; D158-G161 WeakPolarHBondContact OD2-CA 3.5Å; D158-D162 PolarHBondContact OD1-N 3.31Å; D158-G163 WeakPolarHBondContact OD2-CA 3.5Å; D158-G163 PolarHBondContact OD2-N 2.93Å; D158-G163 VanDerWaalsContact OD2-N 3.11Å; D158-L165 HydrophobicContact CB-CD2 3.63Å; D158-L165 VanDerWaalsContact N-CD2 3.3Å
159E91.1Very high93.7Very high120 Ų12051.2 Ų51.256%0.56127%0.271SS*.SBendtrans-63.9-29.6-176.2-65.7-172.3169.400112.5M157 K172M157-E159 PolarHBondContact O-N 2.85Å; E159-K172 VanDerWaalsContact OE1-CE 3.29Å; E159-K172 WeakPolarHBondContact OE1-CE 3.42Å; E159-K172 IonicContact OE1-NZ 2.67Å; E159-K172 PolarHBondContact OE1-NZ 3.01Å; E159-K172 IonicContact OE2-NZ 2.83Å; E159-K172 PolarHBondContact OE2-NZ 3.23Å
160N94.5Very high94Very high90 Ų9049.4 Ų49.448%0.48126%0.264SS..SBendtrans-93.1-19.6-173.983.842000112.4D158 D162 E169D158-N160 PolarHBondContact O-N 3.48Å; N160-D162 PolarHBondContact ND2-OD2 3.04Å; N160-D162 VanDerWaalsContact ND2-OD2 3.15Å; N160-D162 WeakPolarHBondContact OD1-CA 3.31Å; N160-D162 WeakPolarHBondContact OD1-CB 3.38Å; N160-D162 PolarHBondContact OD1-N 2.72Å; N160-D162 PolarHBondContact OD1-OD1 3.41Å; N160-D162 PolarHBondContact OD1-OD2 3.25Å; N160-E169 PolarHBondContact ND2-OE1 3.27Å
161G94.6Very high94Very high59 Ų5950.2 Ų50.261%0.60827%0.267SS*.  trans74.724.1176.300000114.6D158 G163D158-G161 PolarHBondContact O-N 3.07Å; D158-G161 VanDerWaalsContact OD1-CA 3.25Å; D158-G161 WeakPolarHBondContact OD1-CA 3.45Å; D158-G161 PolarHBondContact OD1-N 3.14Å; D158-G161 WeakPolarHBondContact OD2-CA 3.5Å; G161-G163 VanDerWaalsContact C-N 3.28Å
162D96.8Very high93.9Very high92 Ų9250 Ų5049%0.49227%0.265SS..SBendtrans-81.9-7.7179.569.313.6000113.1D158 N160 V164D158-D162 PolarHBondContact OD1-N 3.31Å; N160-D162 PolarHBondContact ND2-OD2 3.04Å; N160-D162 VanDerWaalsContact ND2-OD2 3.15Å; N160-D162 WeakPolarHBondContact OD1-CA 3.31Å; N160-D162 WeakPolarHBondContact OD1-CB 3.38Å; N160-D162 PolarHBondContact OD1-N 2.72Å; N160-D162 PolarHBondContact OD1-OD1 3.41Å; N160-D162 PolarHBondContact OD1-OD2 3.25Å; D162-V164 WeakPolarHBondContact OD1-CG2 3.47Å; D162-V164 PolarHBondContact OD1-N 3.32Å
163G96.2Very high94Very high28 Ų2847.4 Ų47.429%0.28926%0.256SS..SBendtrans86.48.8176.100000114.5F154 D158 G161F154-G163 VanDerWaalsContact CZ-O 3.3Å; F154-G163 WeakPolarHBondContact CZ-O 3.29Å; D158-G163 WeakPolarHBondContact OD2-CA 3.5Å; D158-G163 PolarHBondContact OD2-N 2.93Å; D158-G163 VanDerWaalsContact OD2-N 3.11Å; G161-G163 VanDerWaalsContact C-N 3.28Å
164V97.3Very high93.9Very high34 Ų3447.4 Ų47.421%0.20626%0.256CS..EExtended strand (participates in β ladder)trans-129.8153.9171.6-63.50000110.4T118 I119 E120 D162T118-V164 HydrophobicContact CG2-CB 4.48Å; T118-V164 HydrophobicContact CG2-CG2 4.19Å; I119-V164 WeakPolarHBondContact O-CA 3.47Å; E120-V164 HydrophobicContact CG-CG1 4.32Å; D162-V164 WeakPolarHBondContact OD1-CG2 3.47Å; D162-V164 PolarHBondContact OD1-N 3.32Å
165L97Very high93.5Very high0 Ų052.5 Ų52.50%028%0.281CS..EExtended strand (participates in β ladder)trans-103.3119.8169.6-56.2179.3000110Y108 T118 I119 M124 F154 M157 D158Y108-L165 PolarHBondContact OH-O 3.48Å; T118-L165 CarbonylContact C-O 3.57Å; T118-L165 WeakPolarHBondContact CA-O 3.12Å; I119-L165 HydrophobicContact CB-CB 4.18Å; I119-L165 PolarHBondContact N-O 3.1Å; I119-L165 PolarHBondContact O-N 2.79Å; M124-L165 HydrophobicContact CE-CD1 3.4Å; M124-L165 VanDerWaalsContact CE-CD1 3.4Å; F154-L165 HydrophobicContact CD1-CD2 4.27Å; F154-L165 HydrophobicContact CD1-CG 4.47Å; F154-L165 HydrophobicContact CD2-CD1 4.06Å; F154-L165 HydrophobicContact CD2-CG 4.11Å; F154-L165 HydrophobicContact CE1-CD2 4.08Å; F154-L165 HydrophobicContact CE1-CG 4.19Å; F154-L165 HydrophobicContact CE2-CD1 4.16Å; F154-L165 HydrophobicContact CE2-CG 3.77Å; F154-L165 HydrophobicContact CG-CD1 4.44Å; F154-L165 HydrophobicContact CG-CG 4.46Å; F154-L165 HydrophobicContact CZ-CD2 4.21Å; F154-L165 HydrophobicContact CZ-CG 3.83Å; M157-L165 HydrophobicContact CB-CD1 3.79Å; M157-L165 HydrophobicContact CB-CD2 3.61Å; M157-L165 HydrophobicContact CB-CG 4.36Å; M157-L165 HydrophobicContact CG-CD1 4.49Å; M157-L165 HydrophobicContact SD-CD1 4.01Å; D158-L165 HydrophobicContact CB-CD2 3.63Å; D158-L165 VanDerWaalsContact N-CD2 3.3Å
166T96.9Very high93.1Very high38 Ų3854.9 Ų54.923%0.23329%0.289CS..EExtended strand (participates in β ladder)trans-71.3163.8167.460.90000111.1E168 E169 F170T166-E168 PolarHBondContact O-N 3.26Å; T166-E169 WeakPolarHBondContact CB-OE2 3.39Å; T166-E169 WeakPolarHBondContact CG2-OE2 3.3Å; T166-E169 PolarHBondContact N-OE2 3Å; T166-E169 PolarHBondContact O-N 2.81Å; T166-E169 VanDerWaalsContact OG1-CD 3.29Å; T166-E169 WeakPolarHBondContact OG1-CG 3.47Å; T166-E169 PolarHBondContact OG1-N 2.84Å; T166-E169 PolarHBondContact OG1-OE2 2.78Å; T166-F170 PolarHBondContact O-N 2.94Å
167R95.2Very high92.7Very high85 Ų8552.7 Ų52.732%0.32128%0.282SS..Hα-helixtrans-53.6-45.2171.7-179.1-175.5174.3-80.1-11.9110.8E105 Y108 F170 M171E105-R167 IonicContact OE1-NE 2.74Å; E105-R167 PolarHBondContact OE1-NE 3.33Å; E105-R167 IonicContact OE2-CZ 3.59Å; E105-R167 IonicContact OE2-NE 2.64Å; E105-R167 PolarHBondContact OE2-NE 2.95Å; E105-R167 IonicContact OE2-NH2 3.09Å; E105-R167 PolarHBondContact OE2-NH2 3.47Å; Y108-R167 HydrophobicContact CD1-CB 4.45Å; Y108-R167 HydrophobicContact CD1-CG 4.45Å; Y108-R167 HydrophobicContact CE1-CB 3.98Å; Y108-R167 HydrophobicContact CE1-CG 4.44Å; Y108-R167 HydrophobicContact CE2-CB 4.24Å; Y108-R167 PolarHBondContact OH-N 2.74Å; Y108-R167 VanDerWaalsContact OH-N 3.11Å; R167-F170 PolarHBondContact O-N 2.84Å; R167-M171 HydrophobicContact CG-CG 4.21Å; R167-M171 WeakPolarHBondContact O-CB 3.14Å; R167-M171 WeakPolarHBondContact O-CG 3.45Å; R167-M171 PolarHBondContact O-N 2.68Å
168E94.6Very high92Very high120 Ų12057.3 Ų57.356%0.56132%0.315SS*.Hα-helixtrans-62.1-45.2-179.1-7165.4-144.700112T166 K172T166-E168 PolarHBondContact O-N 3.26Å; E168-K172 WeakPolarHBondContact O-CB 3.39Å; E168-K172 PolarHBondContact O-N 2.99Å
169E95.5Very high91Very high19 Ų1961.8 Ų61.89%0.08934%0.335CS..Hα-helixtrans-63.6-46.6177.1-76.9158.4154.800111.9N160 T166 M171 K172 G173N160-E169 PolarHBondContact ND2-OE1 3.27Å; T166-E169 WeakPolarHBondContact CB-OE2 3.39Å; T166-E169 WeakPolarHBondContact CG2-OE2 3.3Å; T166-E169 PolarHBondContact N-OE2 3Å; T166-E169 PolarHBondContact O-N 2.81Å; T166-E169 VanDerWaalsContact OG1-CD 3.29Å; T166-E169 WeakPolarHBondContact OG1-CG 3.47Å; T166-E169 PolarHBondContact OG1-N 2.84Å; T166-E169 PolarHBondContact OG1-OE2 2.78Å; E169-M171 PolarHBondContact O-N 2.85Å; E169-K172 PolarHBondContact O-N 3.22Å; E169-G173 PolarHBondContact O-N 2.97Å
170F93.9Very high90.2Very high0 Ų056.2 Ų56.20%031%0.309CS..Hα-helixtrans-60.9-46.8178.1-176.4-91.1000111.9A107 Y108 Y111 I119 M157 T166 R167 C174 L184A107-F170 HydrophobicContact CB-CE1 4.23Å; A107-F170 HydrophobicContact CB-CZ 4.17Å; Y108-F170 HydrophobicContact CD2-CB 3.67Å; Y108-F170 AromaticContact CD2-CD1 3.84Å; Y108-F170 HydrophobicContact CD2-CD1 3.84Å; Y108-F170 HydrophobicContact CD2-CD2 4.28Å; Y108-F170 AromaticContact CD2-CG 3.67Å; Y108-F170 HydrophobicContact CD2-CG 3.67Å; Y108-F170 HydrophobicContact CE2-CB 4.01Å; Y108-F170 HydrophobicContact CE2-CG 4.43Å; Y108-F170 HydrophobicContact CG-CD1 4.38Å; Y111-F170 HydrophobicContact CD2-CE2 4.02Å; Y111-F170 AromaticContact CD2-CZ 3.99Å; Y111-F170 HydrophobicContact CD2-CZ 3.99Å; Y111-F170 HydrophobicContact CE2-CZ 4.43Å; Y111-F170 HydrophobicContact CG-CE2 4.37Å; I119-F170 HydrophobicContact CD1-CB 4.47Å; I119-F170 HydrophobicContact CD1-CD2 3.53Å; I119-F170 HydrophobicContact CD1-CE2 3.94Å; I119-F170 HydrophobicContact CD1-CG 4.12Å; M157-F170 HydrophobicContact SD-CD2 4.18Å; T166-F170 PolarHBondContact O-N 2.94Å; R167-F170 PolarHBondContact O-N 2.84Å; F170-C174 WeakPolarHBondContact O-CB 3.32Å; F170-C174 PolarHBondContact O-N 3.41Å; F170-C174 PolarHBondContact O-SG 2.92Å; F170-L184 HydrophobicContact CE2-CD1 3.78Å; F170-L184 HydrophobicContact CE2-CD2 4.35Å; F170-L184 HydrophobicContact CZ-CD1 3.98Å
171M92.1Very high89.5Confident18 Ų1855 Ų559%0.08930%0.299CS..Hα-helixtrans-65.1-44.4-180-66.7-66.2-74.400111.1E101 L104 R167 E169 M175E101-M171 HydrophobicContact CB-CE 4.46Å; E101-M171 HydrophobicContact CG-CE 3.56Å; L104-M171 HydrophobicContact CB-CE 3.8Å; L104-M171 HydrophobicContact CB-SD 3.45Å; L104-M171 WeakPolarHBondContact CB-SD 3.38Å; L104-M171 HydrophobicContact CD1-CE 4.39Å; L104-M171 HydrophobicContact CD1-SD 4.46Å; R167-M171 HydrophobicContact CG-CG 4.21Å; R167-M171 WeakPolarHBondContact O-CB 3.14Å; R167-M171 WeakPolarHBondContact O-CG 3.45Å; R167-M171 PolarHBondContact O-N 2.68Å; E169-M171 PolarHBondContact O-N 2.85Å; M171-M175 WeakPolarHBondContact O-CB 3.06Å; M171-M175 WeakPolarHBondContact O-CG 3.4Å; M171-M175 PolarHBondContact O-N 3.47Å; M171-M175 VanDerWaalsContact O-N 3.07Å
172K91.7Very high88.6Confident78 Ų7852.8 Ų52.834%0.33928%0.276SS..Hα-helixtrans-61.3-51.5176.7-175.1-173.7176.2-165.10111E159 E168 E169 C174 M175 E176E159-K172 VanDerWaalsContact OE1-CE 3.29Å; E159-K172 WeakPolarHBondContact OE1-CE 3.42Å; E159-K172 IonicContact OE1-NZ 2.67Å; E159-K172 PolarHBondContact OE1-NZ 3.01Å; E159-K172 IonicContact OE2-NZ 2.83Å; E159-K172 PolarHBondContact OE2-NZ 3.23Å; E168-K172 WeakPolarHBondContact O-CB 3.39Å; E168-K172 PolarHBondContact O-N 2.99Å; E169-K172 PolarHBondContact O-N 3.22Å; K172-C174 PolarHBondContact O-N 2.92Å; K172-M175 PolarHBondContact O-N 2.85Å; K172-M175 VanDerWaalsContact O-N 3.08Å; K172-E176 WeakPolarHBondContact CE-OE1 3.29Å; K172-E176 WeakPolarHBondContact CE-OE2 3.46Å; K172-E176 HydrophobicContact CG-CG 4.26Å; K172-E176 WeakPolarHBondContact CG-OE1 3.49Å; K172-E176 WeakPolarHBondContact O-CB 3.44Å; K172-E176 WeakPolarHBondContact O-CG 3.22Å; K172-E176 PolarHBondContact O-N 3.2Å
173G90.4Very high87.2Confident10 Ų1050.1 Ų50.110%0.10326%0.261CS..Hα-helixtrans-57.9-44.1-179.900000112.9E169 M175 D177E169-G173 PolarHBondContact O-N 2.97Å; G173-M175 VanDerWaalsContact C-N 3.33Å; G173-M175 PolarHBondContact O-N 2.9Å; G173-D177 PolarHBondContact O-N 3.4Å; G173-D177 VanDerWaalsContact O-N 3.11Å
174C88.5Confident86Confident2 Ų249.1 Ų49.11%0.01425%0.249CC..Hα-helixtrans-69.7-26.8177-68.30000114.2L104 F170 K172 K181 L184L104-C174 HydrophobicContact CD1-CB 3.95Å; L104-C174 HydrophobicContact CD2-CB 3.52Å; L104-C174 HydrophobicContact CG-CB 4.37Å; F170-C174 WeakPolarHBondContact O-CB 3.32Å; F170-C174 PolarHBondContact O-N 3.41Å; F170-C174 PolarHBondContact O-SG 2.92Å; K172-C174 PolarHBondContact O-N 2.92Å; C174-K181 HydrophobicContact CB-CB 4.49Å; C174-K181 WeakPolarHBondContact O-CB 3.13Å; C174-L184 WeakPolarHBondContact SG-CD1 3.47Å
175M85.1Confident84.7Confident108 Ų10849.6 Ų49.653%0.53225%0.25SC..Hα-helixtrans-85.4-32.9-179.7-71.9-69.7-147.500112.2E101 L104 M171 K172 G173E101-M175 HydrophobicContact CB-CE 4.49Å; L104-M175 HydrophobicContact CD1-CE 3.87Å; L104-M175 HydrophobicContact CD1-CG 3.88Å; L104-M175 HydrophobicContact CD1-SD 3.68Å; M171-M175 WeakPolarHBondContact O-CB 3.06Å; M171-M175 WeakPolarHBondContact O-CG 3.4Å; M171-M175 PolarHBondContact O-N 3.47Å; M171-M175 VanDerWaalsContact O-N 3.07Å; K172-M175 PolarHBondContact O-N 2.85Å; K172-M175 VanDerWaalsContact O-N 3.08Å; G173-M175 VanDerWaalsContact C-N 3.33Å; G173-M175 PolarHBondContact O-N 2.9Å
176E84.8Confident82.9Confident141 Ų14151.9 Ų51.966%0.65927%0.268SS*.Hα-helixtrans-83.7-26.6-179.7-68.5-176.417800112.7K172K172-E176 WeakPolarHBondContact CE-OE1 3.29Å; K172-E176 WeakPolarHBondContact CE-OE2 3.46Å; K172-E176 HydrophobicContact CG-CG 4.26Å; K172-E176 WeakPolarHBondContact CG-OE1 3.49Å; K172-E176 WeakPolarHBondContact O-CB 3.44Å; K172-E176 WeakPolarHBondContact O-CG 3.22Å; K172-E176 PolarHBondContact O-N 3.2Å
177D82.4Confident81Confident46 Ų4655 Ų5525%0.24628%0.284CS..  trans-124.6104.2-178.6-170.2-30.8000111.3G173 Q179 L180 K181G173-D177 PolarHBondContact O-N 3.4Å; G173-D177 VanDerWaalsContact O-N 3.11Å; D177-Q179 PolarHBondContact O-N 3.42Å; D177-Q179 VanDerWaalsContact OD1-CA 3.29Å; D177-Q179 WeakPolarHBondContact OD1-CA 3.11Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.48Å; D177-Q179 PolarHBondContact OD1-N 3.29Å; D177-L180 HydrophobicContact CB-CB 3.9Å; D177-L180 HydrophobicContact CB-CD1 3.76Å; D177-L180 HydrophobicContact CB-CG 3.77Å; D177-L180 PolarHBondContact O-N 3.11Å; D177-L180 PolarHBondContact OD1-N 3.45Å; D177-L180 WeakPolarHBondContact OD2-CG 3.33Å; D177-K181 PolarHBondContact O-N 3.07Å
178S79.2Confident78.2Confident100 Ų10058.2 Ų58.270%0.69931%0.307SS*.Hα-helixtrans-64-27.3177.456.70000112.8A182S178-A182 WeakPolarHBondContact O-CB 3.02Å; S178-A182 PolarHBondContact O-N 2.91Å
179Q74.3Confident75.2Confident109 Ų10957 Ų5751%0.50931%0.31SS..Hα-helixtrans-71.6-45.6176-161.6-172.3-5.400109.8D177 K181 A182 M183D177-Q179 PolarHBondContact O-N 3.42Å; D177-Q179 VanDerWaalsContact OD1-CA 3.29Å; D177-Q179 WeakPolarHBondContact OD1-CA 3.11Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.48Å; D177-Q179 PolarHBondContact OD1-N 3.29Å; Q179-K181 VanDerWaalsContact C-N 3.29Å; Q179-K181 PolarHBondContact O-N 3.36Å; Q179-A182 PolarHBondContact O-N 3.34Å; Q179-M183 HydrophobicContact CG-CE 3.75Å; Q179-M183 VanDerWaalsContact NE2-CE 3.26Å; Q179-M183 WeakPolarHBondContact O-CB 3.46Å; Q179-M183 WeakPolarHBondContact O-CG 3.5Å; Q179-M183 PolarHBondContact O-N 3.15Å
180L74.2Confident72.3Confident4 Ų462.9 Ų62.92%0.02135%0.347CS..Hα-helixtrans-57.9-44.2173.8-73.2-177.9000111.4I153 K156 M157 D177 M183 L184I153-L180 HydrophobicContact CB-CD2 4.22Å; I153-L180 HydrophobicContact CG1-CD2 3.83Å; I153-L180 HydrophobicContact CG2-CD2 4.14Å; K156-L180 HydrophobicContact CB-CD1 4.06Å; K156-L180 HydrophobicContact CD-CD1 4.32Å; K156-L180 HydrophobicContact CD-CD2 3.99Å; K156-L180 HydrophobicContact CD-CG 4.48Å; M157-L180 HydrophobicContact CE-CB 3.88Å; M157-L180 HydrophobicContact CE-CD1 3.75Å; M157-L180 HydrophobicContact CE-CG 4.28Å; M157-L180 HydrophobicContact CG-CD1 4.18Å; D177-L180 HydrophobicContact CB-CB 3.9Å; D177-L180 HydrophobicContact CB-CD1 3.76Å; D177-L180 HydrophobicContact CB-CG 3.77Å; D177-L180 PolarHBondContact O-N 3.11Å; D177-L180 PolarHBondContact OD1-N 3.45Å; D177-L180 WeakPolarHBondContact OD2-CG 3.33Å; L180-M183 PolarHBondContact O-N 3.08Å; L180-L184 WeakPolarHBondContact O-CB 3.25Å; L180-L184 WeakPolarHBondContact O-CG 3.29Å; L180-L184 PolarHBondContact O-N 3.11Å
181K79.3Confident69.3Low63 Ų6375.3 Ų75.327%0.27441%0.405SS..Hα-helixtrans-59.9-47.6175.8-176178.4175.4-179.40112.6L104 C174 D177 Q179 M183 L184 L185L104-K181 HydrophobicContact CD2-CG 4.36Å; C174-K181 HydrophobicContact CB-CB 4.49Å; C174-K181 WeakPolarHBondContact O-CB 3.13Å; D177-K181 PolarHBondContact O-N 3.07Å; Q179-K181 VanDerWaalsContact C-N 3.29Å; Q179-K181 PolarHBondContact O-N 3.36Å; K181-M183 VanDerWaalsContact C-N 3.33Å; K181-M183 PolarHBondContact O-N 3.19Å; K181-L184 PolarHBondContact O-N 2.79Å; K181-L185 HydrophobicContact CD-CD1 4.46Å; K181-L185 HydrophobicContact CG-CD1 3.77Å; K181-L185 HydrophobicContact CG-CG 4.41Å; K181-L185 WeakPolarHBondContact O-CB 3.08Å; K181-L185 WeakPolarHBondContact O-CG 3.44Å; K181-L185 PolarHBondContact O-N 2.79Å
182A75.4Confident68.2Low14 Ų1478.2 Ų78.212%0.11642%0.421CS..Hα-helixtrans-61.6-43.2177.600000111.2S178 Q179 L184 L185 A186 P189S178-A182 WeakPolarHBondContact O-CB 3.02Å; S178-A182 PolarHBondContact O-N 2.91Å; Q179-A182 PolarHBondContact O-N 3.34Å; A182-L184 VanDerWaalsContact C-N 3.3Å; A182-L184 PolarHBondContact O-N 3.34Å; A182-L185 PolarHBondContact O-N 3.46Å; A182-A186 PolarHBondContact O-N 2.78Å; A182-A186 VanDerWaalsContact O-N 3.12Å; A182-P189 HydrophobicContact CB-CB 4.17Å
183M67Low67Low36 Ų3678.2 Ų78.218%0.17743%0.425CS..Hα-helixtrans-59.7-38.5176.5-71.5-174.1-171.600112.8R149 I153 Q179 L180 K181R149-M183 VanDerWaalsContact NH1-CE 3.25Å; R149-M183 PolarHBondContact NH1-SD 2.76Å; I153-M183 HydrophobicContact CD1-CB 4.03Å; I153-M183 HydrophobicContact CD1-SD 4.2Å; I153-M183 HydrophobicContact CG1-SD 4.16Å; Q179-M183 HydrophobicContact CG-CE 3.75Å; Q179-M183 VanDerWaalsContact NE2-CE 3.26Å; Q179-M183 WeakPolarHBondContact O-CB 3.46Å; Q179-M183 WeakPolarHBondContact O-CG 3.5Å; Q179-M183 PolarHBondContact O-N 3.15Å; L180-M183 PolarHBondContact O-N 3.08Å; K181-M183 VanDerWaalsContact C-N 3.33Å; K181-M183 PolarHBondContact O-N 3.19Å
184L72Confident65.7Low6 Ų681.9 Ų81.93%0.03144%0.443CS..Hα-helixtrans-80-35-177.6-74.2167.7000113.6Y111 I153 M157 F170 C174 L180 K181 A182Y111-L184 HydrophobicContact CD2-CD2 4.48Å; Y111-L184 HydrophobicContact CE1-CD2 3.72Å; Y111-L184 HydrophobicContact CE2-CB 4.28Å; Y111-L184 HydrophobicContact CE2-CD2 3.71Å; Y111-L184 VanDerWaalsContact OH-CD2 3.26Å; Y111-L184 WeakPolarHBondContact OH-CD2 3.41Å; Y111-L184 PolarHBondContact OH-O 3.02Å; I153-L184 HydrophobicContact CD1-CD2 4.44Å; I153-L184 HydrophobicContact CG2-CD1 4.46Å; I153-L184 HydrophobicContact CG2-CD2 4.14Å; I153-L184 HydrophobicContact CG2-CG 4.42Å; M157-L184 HydrophobicContact CE-CD1 3.49Å; M157-L184 VanDerWaalsContact CE-CD1 3.49Å; M157-L184 HydrophobicContact SD-CD1 4.38Å; F170-L184 HydrophobicContact CE2-CD1 3.78Å; F170-L184 HydrophobicContact CE2-CD2 4.35Å; F170-L184 HydrophobicContact CZ-CD1 3.98Å; C174-L184 WeakPolarHBondContact SG-CD1 3.47Å; L180-L184 WeakPolarHBondContact O-CB 3.25Å; L180-L184 WeakPolarHBondContact O-CG 3.29Å; L180-L184 PolarHBondContact O-N 3.11Å; K181-L184 PolarHBondContact O-N 2.79Å; A182-L184 VanDerWaalsContact C-N 3.3Å; A182-L184 PolarHBondContact O-N 3.34Å
185L69.1Low64.3Low45 Ų4586.6 Ų86.624%0.23647%0.468CS..Hα-helixtrans-91-5.8-175.6-64.4-179.3000113.7A107 K181 A182 D187A107-L185 HydrophobicContact CB-CD2 3.81Å; K181-L185 HydrophobicContact CD-CD1 4.46Å; K181-L185 HydrophobicContact CG-CD1 3.77Å; K181-L185 HydrophobicContact CG-CG 4.41Å; K181-L185 WeakPolarHBondContact O-CB 3.08Å; K181-L185 WeakPolarHBondContact O-CG 3.44Å; K181-L185 PolarHBondContact O-N 2.79Å; A182-L185 PolarHBondContact O-N 3.46Å; L185-D187 HydrophobicContact CB-CB 4.4Å; L185-D187 PolarHBondContact O-N 3.31Å; L185-D187 VanDerWaalsContact O-N 3.15Å
186A60.1Low63Low47 Ų4785.3 Ų85.339%0.38846%0.464SS..THydrogen-bonded Turntrans52.227.9-170.200000112.7I131 A182I131-A186 HydrophobicContact CG2-CB 4.01Å; A182-A186 PolarHBondContact O-N 2.78Å; A182-A186 VanDerWaalsContact O-N 3.12Å
187D56.7Low61.6Low104 Ų10481.6 Ų81.656%0.55645%0.451SS*.PPolyproline II helixtrans-85139.9169.3-90.1-22.4000107.9L185L185-D187 HydrophobicContact CB-CB 4.4Å; L185-D187 PolarHBondContact O-N 3.31Å; L185-D187 VanDerWaalsContact O-N 3.15Å
188D35.8Very low60.1Low152 Ų15284.1 Ų84.181%0.81347%0.466SS*.PPolyproline II helixtrans-58132168.8-76.3-38.6000108.8V190D188-V190 PolarHBondContact O-N 2.83Å; D188-V190 VanDerWaalsContact O-N 3.1Å
189P32.8Very low58.6Low95 Ų9582.9 Ų82.962%0.61745%0.448SS*.PPolyproline II helixtrans-57.9122.317222.6-29.4000108.3A182 E191A182-P189 HydrophobicContact CB-CB 4.17Å; P189-E191 PolarHBondContact O-N 2.67Å
190V33.7Very low57.3Low143 Ų14380.8 Ų80.887%0.86744%0.443SS*.  trans-67.7115.5171-174.50000106.6D188D188-V190 PolarHBondContact O-N 2.83Å; D188-V190 VanDerWaalsContact O-N 3.1Å
191E31.5Very low55.8Low260 Ų26087.7 Ų87.7100%1.21548%0.481SS*.  trans-53.40170.2-72.6-170.8161.700112.7P189P189-E191 PolarHBondContact O-N 2.67Å

Retrieved 191 of 191 residues in 286.9 ms (Link to these results)

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