A0A3Q0KEL2_SCHMA Loading...

2'-phosphotransferase

Catalyzes the last step of tRNA splicing, the transfer of the splice junction 2'-phosphate from ligated tRNA to NAD to produce ADP-ribose 1''-2'' cyclic phosphate.

AlphaFold DB , UniProt , Accession A0A3Q0KEL2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 301 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
1M39.2Very low41.2Very low245 Ų245108.6 Ų108.6100%1.20767%0.669SS**  0125.50-73178.7-179.400107.7
2S40.8Very low42.2Very low108 Ų108108.8 Ų108.876%0.75565%0.653SS**  trans-61.6130.9-165.5-178.60000112.6T4S2-T4 VanDerWaalsContact C-N 3.32Å; S2-T4 PolarHBondContact O-N 2.86Å
3T39.1Very low42.9Very low134 Ų134114.7 Ų114.782%0.82266%0.657SS**  trans-68.985.3171.350.10000109.3G5T3-G5 PolarHBondContact O-N 2.96Å
4T39.9Very low43.5Very low129 Ų129117.6 Ų117.679%0.79166%0.658SS**  trans-72.577.7158.954.20000107.1S2 D6S2-T4 VanDerWaalsContact C-N 3.32Å; S2-T4 PolarHBondContact O-N 2.86Å; T4-D6 PolarHBondContact O-N 3.46Å; T4-D6 VanDerWaalsContact O-N 3.16Å
5G39Very low44.7Very low64 Ų64112.5 Ų112.566%0.6663%0.634SS**  trans-55.7118.4166.200000107.8T3 A7T3-G5 PolarHBondContact O-N 2.96Å; G5-A7 PolarHBondContact O-N 3.01Å
6D44.6Very low46Very low67 Ų67110.3 Ų110.336%0.35862%0.619SS.*  trans-59.188.4-174.5-172.6-3.3000111.1T4 S8 K9 T10T4-D6 PolarHBondContact O-N 3.46Å; T4-D6 VanDerWaalsContact O-N 3.16Å; D6-S8 PolarHBondContact O-N 2.95Å; D6-S8 VanDerWaalsContact O-N 3.09Å; D6-S8 VanDerWaalsContact OD1-CB 3.3Å; D6-S8 WeakPolarHBondContact OD1-CB 3.42Å; D6-S8 PolarHBondContact OD1-N 3.12Å; D6-S8 PolarHBondContact OD1-OG 2.82Å; D6-K9 HydrophobicContact CB-CB 4.27Å; D6-K9 HydrophobicContact CB-CD 4.14Å; D6-K9 HydrophobicContact CB-CG 4.34Å; D6-K9 PolarHBondContact O-N 3.38Å; D6-K9 PolarHBondContact OD1-N 3.46Å; D6-K9 WeakPolarHBondContact OD2-CD 3.35Å; D6-K9 WeakPolarHBondContact OD2-CE 3.48Å; D6-K9 WeakPolarHBondContact OD2-CG 3.46Å; D6-K9 IonicContact OD2-NZ 3.15Å; D6-T10 PolarHBondContact O-N 2.95Å; D6-T10 PolarHBondContact O-OG1 3.48Å
7A39.8Very low47.8Very low74 Ų74108.5 Ų108.561%0.61261%0.608SS**Hα-helixtrans-55.8-25.2177.800000111.9G5 T10 S11G5-A7 PolarHBondContact O-N 3.01Å; A7-T10 PolarHBondContact O-N 3.06Å; A7-S11 WeakPolarHBondContact O-CB 3.41Å; A7-S11 PolarHBondContact O-N 3.48Å
8S43.4Very low49.9Very low64 Ų64106.1 Ų106.145%0.44859%0.588SS.*Hα-helixtrans-67-39.3176.589.20000112D6 K12D6-S8 PolarHBondContact O-N 2.95Å; D6-S8 VanDerWaalsContact O-N 3.09Å; D6-S8 VanDerWaalsContact OD1-CB 3.3Å; D6-S8 WeakPolarHBondContact OD1-CB 3.42Å; D6-S8 PolarHBondContact OD1-N 3.12Å; D6-S8 PolarHBondContact OD1-OG 2.82Å; S8-K12 WeakPolarHBondContact O-CB 3.48Å; S8-K12 WeakPolarHBondContact O-CG 3.2Å; S8-K12 PolarHBondContact O-N 3.45Å
9K40.4Very low51.7Low148 Ų148104.4 Ų104.464%0.64357%0.572SS**Hα-helixtrans-67.2-41.1175.9-83.3175.7-171.61680111.9D6 R13D6-K9 HydrophobicContact CB-CB 4.27Å; D6-K9 HydrophobicContact CB-CD 4.14Å; D6-K9 HydrophobicContact CB-CG 4.34Å; D6-K9 PolarHBondContact O-N 3.38Å; D6-K9 PolarHBondContact OD1-N 3.46Å; D6-K9 WeakPolarHBondContact OD2-CD 3.35Å; D6-K9 WeakPolarHBondContact OD2-CE 3.48Å; D6-K9 WeakPolarHBondContact OD2-CG 3.46Å; D6-K9 IonicContact OD2-NZ 3.15Å; K9-R13 WeakPolarHBondContact O-CB 3.48Å; K9-R13 PolarHBondContact O-N 3.37Å
10T38.5Very low53.3Low83 Ų83102.9 Ų102.951%0.50956%0.561SS.*Hα-helixtrans-67-41.2179-2.30000111.4D6 A7 R13 K14D6-T10 PolarHBondContact O-N 2.95Å; D6-T10 PolarHBondContact O-OG1 3.48Å; A7-T10 PolarHBondContact O-N 3.06Å; T10-R13 PolarHBondContact O-N 3.09Å; T10-K14 WeakPolarHBondContact O-CG 3.49Å; T10-K14 PolarHBondContact O-N 3.01Å
11S48.6Very low55Low79 Ų79103.7 Ų103.755%0.55256%0.556SS**Hα-helixtrans-60.4-51.2174.2-178.70000111.9A7 R13 K14 S15A7-S11 WeakPolarHBondContact O-CB 3.41Å; A7-S11 PolarHBondContact O-N 3.48Å; S11-R13 VanDerWaalsContact C-N 3.32Å; S11-R13 PolarHBondContact O-N 3.27Å; S11-K14 PolarHBondContact O-N 3.4Å; S11-S15 PolarHBondContact O-N 3.16Å
12K52.9Low57.6Low111 Ų11192 Ų9248%0.48350%0.498SS..Hα-helixtrans-62.4-35.9179.2-74.9-175.2177.7-168.50113.1S8 S15 L16S8-K12 WeakPolarHBondContact O-CB 3.48Å; S8-K12 WeakPolarHBondContact O-CG 3.2Å; S8-K12 PolarHBondContact O-N 3.45Å; K12-S15 WeakPolarHBondContact CA-OG 3.32Å; K12-S15 PolarHBondContact O-N 3.19Å; K12-S15 PolarHBondContact O-OG 3.06Å; K12-L16 WeakPolarHBondContact O-CD1 3.13Å; K12-L16 PolarHBondContact O-N 3.22Å; K12-L16 VanDerWaalsContact O-N 3.08Å
13R51.2Low60Low185 Ų18586.9 Ų86.970%0.69846%0.462SS*.Hα-helixtrans-69.4-42.5176.8-165.7172.7-175.7173.21.9111.8K9 T10 S11 S15 L16 D17K9-R13 WeakPolarHBondContact O-CB 3.48Å; K9-R13 PolarHBondContact O-N 3.37Å; T10-R13 PolarHBondContact O-N 3.09Å; S11-R13 VanDerWaalsContact C-N 3.32Å; S11-R13 PolarHBondContact O-N 3.27Å; R13-S15 VanDerWaalsContact C-N 3.28Å; R13-S15 PolarHBondContact O-N 2.91Å; R13-L16 PolarHBondContact O-N 3.05Å; R13-D17 PolarHBondContact O-N 3.04Å; R13-D17 VanDerWaalsContact O-N 3.11Å
14K51.9Low62.6Low155 Ų15583.2 Ų83.267%0.67444%0.437SS*.Hα-helixtrans-60.4-37.1174.6-76.1-177.3178.6-176.60112.1T10 S11 R18T10-K14 WeakPolarHBondContact O-CG 3.49Å; T10-K14 PolarHBondContact O-N 3.01Å; S11-K14 PolarHBondContact O-N 3.4Å; K14-R18 PolarHBondContact O-N 3.48Å
15S61.5Low65.2Low42 Ų4278.1 Ų78.129%0.29441%0.405SS..Hα-helixtrans-69.8-41.3176.565.60000112.5S11 K12 R13 D17 R18 Y19S11-S15 PolarHBondContact O-N 3.16Å; K12-S15 WeakPolarHBondContact CA-OG 3.32Å; K12-S15 PolarHBondContact O-N 3.19Å; K12-S15 PolarHBondContact O-OG 3.06Å; R13-S15 VanDerWaalsContact C-N 3.28Å; R13-S15 PolarHBondContact O-N 2.91Å; S15-D17 PolarHBondContact O-N 2.74Å; S15-R18 PolarHBondContact O-N 3.23Å; S15-Y19 VanDerWaalsContact O-CD2 3.31Å; S15-Y19 WeakPolarHBondContact O-CD2 3.41Å; S15-Y19 PolarHBondContact O-N 2.91Å
16L64.4Low67.9Low77 Ų7775.1 Ų75.140%0.40337%0.374SS..Hα-helixtrans-58.9-47.2175.9-83.9154.6000112.1K12 R13 R18 Y19 E20K12-L16 WeakPolarHBondContact O-CD1 3.13Å; K12-L16 PolarHBondContact O-N 3.22Å; K12-L16 VanDerWaalsContact O-N 3.08Å; R13-L16 PolarHBondContact O-N 3.05Å; L16-R18 VanDerWaalsContact C-N 3.26Å; L16-R18 PolarHBondContact O-N 2.65Å; L16-Y19 PolarHBondContact O-N 3.33Å; L16-E20 PolarHBondContact O-N 3.13Å
17D77.1Confident70.2Confident80 Ų8073.9 Ų73.943%0.42837%0.366SS..Hα-helixtrans-62.8-35178.3-70.4-10.8000111.6R13 S15 R21R13-D17 PolarHBondContact O-N 3.04Å; R13-D17 VanDerWaalsContact O-N 3.11Å; S15-D17 PolarHBondContact O-N 2.74Å; D17-R21 WeakPolarHBondContact O-CG 3.47Å; D17-R21 PolarHBondContact O-N 3.28Å; D17-R21 VanDerWaalsContact O-N 3.13Å; D17-R21 PolarHBondContact O-NH1 3.01Å; D17-R21 VanDerWaalsContact O-NH1 3.12Å
18R85.6Confident72.8Confident65 Ų6574.3 Ų74.325%0.24536%0.355CS..Hα-helixtrans-69.2-49.1176.6-179.6170.4172.783.84.2111.9K14 S15 L16 E20 R21 I22 E62 E68K14-R18 PolarHBondContact O-N 3.48Å; S15-R18 PolarHBondContact O-N 3.23Å; L16-R18 VanDerWaalsContact C-N 3.26Å; L16-R18 PolarHBondContact O-N 2.65Å; R18-E20 PolarHBondContact O-N 2.77Å; R18-R21 PolarHBondContact O-N 2.84Å; R18-R21 VanDerWaalsContact O-N 3.14Å; R18-I22 HydrophobicContact CG-CD1 3.89Å; R18-I22 HydrophobicContact CG-CG1 4.49Å; R18-I22 WeakPolarHBondContact O-CG1 3.38Å; R18-I22 PolarHBondContact O-N 3.36Å; R18-E62 VanDerWaalsContact CZ-O 3.25Å; R18-E62 PolarHBondContact NH1-O 2.84Å; R18-E62 PolarHBondContact NH2-O 3.43Å; R18-E68 IonicContact CZ-OE1 3.87Å; R18-E68 IonicContact CZ-OE2 2.75Å; R18-E68 IonicContact NE-OE1 2.78Å; R18-E68 PolarHBondContact NE-OE1 2.83Å; R18-E68 IonicContact NE-OE2 3.39Å; R18-E68 IonicContact NH2-OE1 2.77Å; R18-E68 PolarHBondContact NH2-OE1 3.35Å; R18-E68 IonicContact NH2-OE2 3.25Å; R18-E68 PolarHBondContact NH2-OE2 2.91Å
19Y83.8Confident75.3Confident74 Ų7471.2 Ų71.229%0.2933%0.334SS..Hα-helixtrans-61.3-36.2177.8-66.1-37.3000112.3S15 L16 G23 E68 D71 V72S15-Y19 VanDerWaalsContact O-CD2 3.31Å; S15-Y19 WeakPolarHBondContact O-CD2 3.41Å; S15-Y19 PolarHBondContact O-N 2.91Å; L16-Y19 PolarHBondContact O-N 3.33Å; Y19-G23 PolarHBondContact O-N 3.29Å; Y19-E68 HydrophobicContact CE1-CG 4.37Å; Y19-D71 HydrophobicContact CE1-CB 4.47Å; Y19-V72 HydrophobicContact CD1-CG2 3.73Å; Y19-V72 HydrophobicContact CG-CG2 4.32Å
20E84.3Confident77.8Confident73 Ų7365.1 Ų65.134%0.34131%0.308SS..Hα-helixtrans-64.2-46.5173.9-175174173.300111.8L16 R18 I22 G23 N24 K137L16-E20 PolarHBondContact O-N 3.13Å; R18-E20 PolarHBondContact O-N 2.77Å; E20-I22 PolarHBondContact O-N 3.05Å; E20-G23 PolarHBondContact O-N 3.08Å; E20-N24 WeakPolarHBondContact O-CB 3.32Å; E20-N24 PolarHBondContact O-N 2.97Å; E20-N24 PolarHBondContact O-ND2 3.14Å; E20-K137 VanDerWaalsContact CD-NZ 3.31Å; E20-K137 IonicContact OE1-NZ 3.99Å; E20-K137 PolarHBondContact OE1-NZ 3.47Å; E20-K137 IonicContact OE2-NZ 2.82Å; E20-K137 PolarHBondContact OE2-NZ 2.92Å
21R89.6Confident80.4Confident121 Ų12166.8 Ų66.846%0.45731%0.309SS..Hα-helixtrans-57.9-48.2176.9-77-169.5-57.5-82.32.6111.9D17 R18 N24 L25D17-R21 WeakPolarHBondContact O-CG 3.47Å; D17-R21 PolarHBondContact O-N 3.28Å; D17-R21 VanDerWaalsContact O-N 3.13Å; D17-R21 PolarHBondContact O-NH1 3.01Å; D17-R21 VanDerWaalsContact O-NH1 3.12Å; R18-R21 PolarHBondContact O-N 2.84Å; R18-R21 VanDerWaalsContact O-N 3.14Å; R21-N24 PolarHBondContact O-N 3.13Å; R21-L25 WeakPolarHBondContact O-CB 3.46Å; R21-L25 PolarHBondContact O-N 3.18Å
22I92.2Very high82.3Confident0 Ų064.8 Ų64.80%030%0.3CS..Hα-helixtrans-65.7-41.2179.7-62.7173.9000110.7R18 E20 N24 L25 L26 E68 I69 V72R18-I22 HydrophobicContact CG-CD1 3.89Å; R18-I22 HydrophobicContact CG-CG1 4.49Å; R18-I22 WeakPolarHBondContact O-CG1 3.38Å; R18-I22 PolarHBondContact O-N 3.36Å; E20-I22 PolarHBondContact O-N 3.05Å; I22-N24 PolarHBondContact O-N 3.26Å; I22-L25 PolarHBondContact O-N 3.37Å; I22-L26 WeakPolarHBondContact O-CB 3.48Å; I22-L26 PolarHBondContact O-N 3.34Å; I22-E68 HydrophobicContact CD1-CG 3.6Å; I22-E68 WeakPolarHBondContact CD1-OE1 3.5Å; I22-E68 WeakPolarHBondContact CD1-OE2 3.42Å; I22-I69 HydrophobicContact CG2-CD1 3.78Å; I22-V72 HydrophobicContact CB-CG2 3.96Å; I22-V72 HydrophobicContact CG2-CG2 3.82Å
23G92.8Very high83.9Confident0 Ų066.4 Ų66.40%031%0.307CS..Hα-helixtrans-60.4-43.5174.400000112.4Y19 E20 L25 L26 E27 R80 F81Y19-G23 PolarHBondContact O-N 3.29Å; E20-G23 PolarHBondContact O-N 3.08Å; G23-L25 VanDerWaalsContact C-N 3.33Å; G23-L25 PolarHBondContact O-N 3.24Å; G23-L26 PolarHBondContact O-N 3.2Å; G23-E27 WeakPolarHBondContact O-CB 3.3Å; G23-E27 PolarHBondContact O-N 2.55Å; G23-R80 PolarHBondContact O-NH1 3.38Å; G23-F81 VanDerWaalsContact O-CZ 3.26Å; G23-F81 WeakPolarHBondContact O-CZ 3.45Å
24N92.6Very high85.4Confident56 Ų5658.6 Ų58.630%0.29928%0.279SS..Hα-helixtrans-67.5-34.5176.9-67.4-17.6000112.3E20 R21 I22 Q28 R80E20-N24 WeakPolarHBondContact O-CB 3.32Å; E20-N24 PolarHBondContact O-N 2.97Å; E20-N24 PolarHBondContact O-ND2 3.14Å; R21-N24 PolarHBondContact O-N 3.13Å; I22-N24 PolarHBondContact O-N 3.26Å; N24-Q28 WeakPolarHBondContact O-CG 3.31Å; N24-Q28 PolarHBondContact O-N 3.47Å; N24-Q28 VanDerWaalsContact O-N 3.11Å; N24-Q28 PolarHBondContact O-NE2 3.46Å; N24-R80 PolarHBondContact OD1-NH1 3.25Å
25L94.3Very high86.8Confident23 Ų2354.2 Ų54.212%0.1226%0.261CS..Hα-helixtrans-66.7-45.5173.6-175.365.1000111.2R21 I22 G23 E27 Q28 F29 L34 E58 F59 E62R21-L25 WeakPolarHBondContact O-CB 3.46Å; R21-L25 PolarHBondContact O-N 3.18Å; I22-L25 PolarHBondContact O-N 3.37Å; G23-L25 VanDerWaalsContact C-N 3.33Å; G23-L25 PolarHBondContact O-N 3.24Å; L25-E27 VanDerWaalsContact C-N 3.33Å; L25-E27 PolarHBondContact O-N 3.11Å; L25-Q28 PolarHBondContact O-N 2.98Å; L25-F29 PolarHBondContact O-N 2.79Å; L25-L34 HydrophobicContact CD1-CD1 3.5Å; L25-L34 HydrophobicContact CG-CD1 4.4Å; L25-E58 HydrophobicContact CD1-CB 3.81Å; L25-E58 HydrophobicContact CD2-CB 4.15Å; L25-E58 HydrophobicContact CG-CB 4.5Å; L25-F59 HydrophobicContact CB-CZ 4.47Å; L25-F59 HydrophobicContact CD2-CD1 3.9Å; L25-F59 HydrophobicContact CD2-CD2 3.93Å; L25-F59 HydrophobicContact CD2-CE1 4Å; L25-F59 HydrophobicContact CD2-CE2 4.05Å; L25-F59 HydrophobicContact CD2-CG 3.87Å; L25-F59 HydrophobicContact CD2-CZ 4.09Å; L25-F59 HydrophobicContact CG-CD1 4.47Å; L25-F59 HydrophobicContact CG-CD2 4.25Å; L25-F59 HydrophobicContact CG-CE1 4.08Å; L25-F59 HydrophobicContact CG-CE2 3.86Å; L25-F59 HydrophobicContact CG-CZ 3.77Å; L25-E62 HydrophobicContact CD2-CG 4.24Å
26L95.7Very high87.5Confident0 Ų058.9 Ų58.90%028%0.278CS..Hα-helixtrans-59.4-42175-175.461.1000112.1I22 G23 F29 L30 I53 F59 I69 V73 F81 V88I22-L26 WeakPolarHBondContact O-CB 3.48Å; I22-L26 PolarHBondContact O-N 3.34Å; G23-L26 PolarHBondContact O-N 3.2Å; L26-F29 PolarHBondContact O-N 3.49Å; L26-L30 HydrophobicContact CD1-CD1 3.89Å; L26-L30 HydrophobicContact CD1-CG 4.13Å; L26-L30 HydrophobicContact CD2-CD1 4.48Å; L26-L30 HydrophobicContact CG-CD1 3.77Å; L26-L30 HydrophobicContact CG-CG 4.4Å; L26-L30 WeakPolarHBondContact O-CB 3.38Å; L26-L30 VanDerWaalsContact O-CG 3.24Å; L26-L30 WeakPolarHBondContact O-CG 3.45Å; L26-L30 PolarHBondContact O-N 2.98Å; L26-I53 HydrophobicContact CD1-CD1 4.04Å; L26-I53 HydrophobicContact CD1-CG2 4.27Å; L26-F59 HydrophobicContact CB-CE1 4.37Å; L26-F59 HydrophobicContact CB-CZ 4.44Å; L26-F59 HydrophobicContact CD1-CE1 4.4Å; L26-F59 HydrophobicContact CD1-CZ 4.35Å; L26-I69 HydrophobicContact CD2-CG2 4.18Å; L26-V73 HydrophobicContact CD2-CG2 3.96Å; L26-F81 HydrophobicContact CB-CE1 4.45Å; L26-F81 HydrophobicContact CB-CZ 4.2Å; L26-F81 HydrophobicContact CD2-CD1 4.21Å; L26-F81 HydrophobicContact CD2-CD2 4.06Å; L26-F81 HydrophobicContact CD2-CE1 4.27Å; L26-F81 HydrophobicContact CD2-CE2 4.11Å; L26-F81 HydrophobicContact CD2-CG 4.12Å; L26-F81 HydrophobicContact CD2-CZ 4.22Å; L26-F81 HydrophobicContact CG-CD1 4.34Å; L26-F81 HydrophobicContact CG-CE1 4.08Å; L26-F81 HydrophobicContact CG-CZ 4.21Å; L26-V88 HydrophobicContact CD1-CG1 4.27Å; L26-V88 HydrophobicContact CD2-CG2 4.35Å
27E94.4Very high87.8Confident41 Ų4159.4 Ų59.419%0.19228%0.281CS..Hα-helixtrans-62.5-43.6174.9-172.6176.4177.900112.6G23 L25 F29 L30 K31 R80 F81 L90G23-E27 WeakPolarHBondContact O-CB 3.3Å; G23-E27 PolarHBondContact O-N 2.55Å; L25-E27 VanDerWaalsContact C-N 3.33Å; L25-E27 PolarHBondContact O-N 3.11Å; E27-F29 VanDerWaalsContact C-N 3.35Å; E27-L30 PolarHBondContact O-N 3.19Å; E27-K31 HydrophobicContact CG-CD 3.98Å; E27-K31 HydrophobicContact CG-CG 4.45Å; E27-K31 VanDerWaalsContact O-CB 3.31Å; E27-K31 WeakPolarHBondContact O-CB 3.19Å; E27-K31 VanDerWaalsContact O-CG 3.27Å; E27-K31 WeakPolarHBondContact O-CG 3.38Å; E27-K31 PolarHBondContact O-N 3.21Å; E27-K31 VanDerWaalsContact OE1-CE 3.26Å; E27-K31 WeakPolarHBondContact OE1-CE 3.47Å; E27-K31 IonicContact OE1-NZ 3.74Å; E27-K31 PolarHBondContact OE1-NZ 3.11Å; E27-R80 WeakPolarHBondContact OE2-CD 3.08Å; E27-R80 IonicContact OE2-CZ 3.13Å; E27-R80 IonicContact OE2-NE 3.78Å; E27-R80 IonicContact OE2-NH1 2.74Å; E27-R80 PolarHBondContact OE2-NH1 3.38Å; E27-F81 HydrophobicContact CB-CE1 3.99Å; E27-F81 HydrophobicContact CB-CZ 3.9Å; E27-L90 HydrophobicContact CG-CD1 4.38Å
28Q93.9Very high87.7Confident83 Ų8360 Ų6039%0.38828%0.281SS..Hα-helixtrans-61.8-44.3177.2-74.4173.175.300111.6N24 L25 K31 K33 L34N24-Q28 WeakPolarHBondContact O-CG 3.31Å; N24-Q28 PolarHBondContact O-N 3.47Å; N24-Q28 VanDerWaalsContact O-N 3.11Å; N24-Q28 PolarHBondContact O-NE2 3.46Å; L25-Q28 PolarHBondContact O-N 2.98Å; Q28-K31 PolarHBondContact O-N 2.56Å; Q28-K33 HydrophobicContact CB-CB 4.49Å; Q28-K33 WeakPolarHBondContact O-CB 3.1Å; Q28-K33 PolarHBondContact O-N 3.32Å; Q28-L34 HydrophobicContact CB-CD1 4.13Å; Q28-L34 HydrophobicContact CB-CG 4.36Å
29F94.7Very high87.6Confident0 Ų066.3 Ų66.30%031%0.31CS..Hα-helixtrans-59.1-52.8174.3170.6-100.5000111.8L25 L26 E27 K31 G32 L34 Q35 F40 F48 I53 L56 F59L25-F29 PolarHBondContact O-N 2.79Å; L26-F29 PolarHBondContact O-N 3.49Å; E27-F29 VanDerWaalsContact C-N 3.35Å; F29-K31 PolarHBondContact O-N 3.35Å; F29-G32 PolarHBondContact O-N 3.12Å; F29-L34 HydrophobicContact CB-CB 4.26Å; F29-L34 HydrophobicContact CB-CD1 4.35Å; F29-L34 HydrophobicContact CD2-CB 4.17Å; F29-Q35 HydrophobicContact CD2-CG 3.91Å; F29-Q35 HydrophobicContact CE2-CG 3.5Å; F29-Q35 VanDerWaalsContact CE2-CG 3.5Å; F29-Q35 HydrophobicContact CZ-CG 4.06Å; F29-Q35 PolarHBondContact O-NE2 3.05Å; F29-F40 AromaticContact CE2-CE1 3.81Å; F29-F40 HydrophobicContact CE2-CE1 3.81Å; F29-F40 AromaticContact CE2-CE2 3.84Å; F29-F40 HydrophobicContact CE2-CE2 3.84Å; F29-F40 AromaticContact CE2-CZ 3.34Å; F29-F40 HydrophobicContact CE2-CZ 3.34Å; F29-F40 HydrophobicContact CZ-CD1 4.24Å; F29-F40 AromaticContact CZ-CE1 3.77Å; F29-F40 HydrophobicContact CZ-CE1 3.77Å; F29-F40 HydrophobicContact CZ-CE2 4.17Å; F29-F40 AromaticContact CZ-CZ 3.73Å; F29-F40 HydrophobicContact CZ-CZ 3.73Å; F29-F48 HydrophobicContact CE1-CB 4Å; F29-F48 AromaticContact CE1-CD1 3.94Å; F29-F48 HydrophobicContact CE1-CD1 3.94Å; F29-F48 HydrophobicContact CE1-CD2 4.08Å; F29-F48 HydrophobicContact CE1-CE1 4.44Å; F29-F48 AromaticContact CE1-CG 3.73Å; F29-F48 HydrophobicContact CE1-CG 3.73Å; F29-F48 HydrophobicContact CZ-CB 4.43Å; F29-F48 AromaticContact CZ-CD1 3.64Å; F29-F48 HydrophobicContact CZ-CD1 3.64Å; F29-F48 AromaticContact CZ-CE1 3.97Å; F29-F48 HydrophobicContact CZ-CE1 3.97Å; F29-F48 AromaticContact CZ-CG 3.95Å; F29-F48 HydrophobicContact CZ-CG 3.95Å; F29-I53 HydrophobicContact CD1-CD1 3.91Å; F29-I53 HydrophobicContact CD1-CG1 3.97Å; F29-I53 HydrophobicContact CD1-CG2 4.21Å; F29-I53 HydrophobicContact CE1-CD1 3.58Å; F29-I53 HydrophobicContact CE1-CG1 3.45Å; F29-I53 VanDerWaalsContact CE1-CG1 3.45Å; F29-I53 HydrophobicContact CE1-CG2 4.49Å; F29-I53 HydrophobicContact CZ-CD1 4.5Å; F29-I53 HydrophobicContact CZ-CG1 3.92Å; F29-L56 HydrophobicContact CD2-CD1 3.45Å; F29-L56 VanDerWaalsContact CD2-CD1 3.45Å; F29-L56 HydrophobicContact CE2-CD1 3.52Å; F29-L56 HydrophobicContact CG-CD1 4.32Å; F29-L56 HydrophobicContact CZ-CD1 4.43Å; F29-F59 HydrophobicContact CB-CE2 4.04Å; F29-F59 HydrophobicContact CB-CZ 4.07Å; F29-F59 HydrophobicContact CG-CE2 4.41Å
30L93.8Very high87.9Confident19 Ų1964.3 Ų64.310%0.09930%0.303CS..Hα-helixtrans-68.6-18.3-177-66.2169.9000113.2L26 E27 G32 F48 F81 V88 L90L26-L30 HydrophobicContact CD1-CD1 3.89Å; L26-L30 HydrophobicContact CD1-CG 4.13Å; L26-L30 HydrophobicContact CD2-CD1 4.48Å; L26-L30 HydrophobicContact CG-CD1 3.77Å; L26-L30 HydrophobicContact CG-CG 4.4Å; L26-L30 WeakPolarHBondContact O-CB 3.38Å; L26-L30 VanDerWaalsContact O-CG 3.24Å; L26-L30 WeakPolarHBondContact O-CG 3.45Å; L26-L30 PolarHBondContact O-N 2.98Å; E27-L30 PolarHBondContact O-N 3.19Å; L30-G32 VanDerWaalsContact C-N 3.28Å; L30-F48 HydrophobicContact CD2-CD2 3.68Å; L30-F48 HydrophobicContact CD2-CE2 4.32Å; L30-F48 HydrophobicContact CD2-CG 4.42Å; L30-F81 HydrophobicContact CD1-CD1 3.56Å; L30-F81 HydrophobicContact CD1-CE1 3.84Å; L30-V88 HydrophobicContact CD1-CG2 4.4Å; L30-L90 HydrophobicContact CB-CB 4.03Å; L30-L90 HydrophobicContact CD1-CB 4.49Å
31K92.2Very high88.4Confident119 Ų11963.8 Ų63.852%0.51730%0.304SS..THydrogen-bonded Turntrans-84.25.5169.3-74.6179.5172.1174.70113.7E27 Q28 F29 K33 L90E27-K31 HydrophobicContact CG-CD 3.98Å; E27-K31 HydrophobicContact CG-CG 4.45Å; E27-K31 VanDerWaalsContact O-CB 3.31Å; E27-K31 WeakPolarHBondContact O-CB 3.19Å; E27-K31 VanDerWaalsContact O-CG 3.27Å; E27-K31 WeakPolarHBondContact O-CG 3.38Å; E27-K31 PolarHBondContact O-N 3.21Å; E27-K31 VanDerWaalsContact OE1-CE 3.26Å; E27-K31 WeakPolarHBondContact OE1-CE 3.47Å; E27-K31 IonicContact OE1-NZ 3.74Å; E27-K31 PolarHBondContact OE1-NZ 3.11Å; Q28-K31 PolarHBondContact O-N 2.56Å; F29-K31 PolarHBondContact O-N 3.35Å; K31-K33 PolarHBondContact O-N 3.49Å; K31-L90 HydrophobicContact CG-CD2 3.91Å
32G89.4Confident88.4Confident37 Ų3765.6 Ų65.638%0.38132%0.323SS..THydrogen-bonded Turntrans86.6-4.7177.600000115.3F29 L30 L34 Q35F29-G32 PolarHBondContact O-N 3.12Å; L30-G32 VanDerWaalsContact C-N 3.28Å; G32-L34 VanDerWaalsContact C-N 3.28Å; G32-L34 PolarHBondContact O-N 3.14Å; G32-Q35 PolarHBondContact O-N 3.3Å
33K86.2Confident88.3Confident144 Ų14467.3 Ų67.363%0.62633%0.332SS*.THydrogen-bonded Turntrans-69.4-24.9-173.6-62-173.2174.9-173.10113.5Q28 K31Q28-K33 HydrophobicContact CB-CB 4.49Å; Q28-K33 WeakPolarHBondContact O-CB 3.1Å; Q28-K33 PolarHBondContact O-N 3.32Å; K31-K33 PolarHBondContact O-N 3.49Å
34L82.3Confident88.1Confident21 Ų2171.2 Ų71.211%0.1136%0.357CS..THydrogen-bonded Turntrans-116.616.5-177-53.9177000113.1L25 Q28 F29 G32 H36 E58L25-L34 HydrophobicContact CD1-CD1 3.5Å; L25-L34 HydrophobicContact CG-CD1 4.4Å; Q28-L34 HydrophobicContact CB-CD1 4.13Å; Q28-L34 HydrophobicContact CB-CG 4.36Å; F29-L34 HydrophobicContact CB-CB 4.26Å; F29-L34 HydrophobicContact CB-CD1 4.35Å; F29-L34 HydrophobicContact CD2-CB 4.17Å; G32-L34 VanDerWaalsContact C-N 3.28Å; G32-L34 PolarHBondContact O-N 3.14Å; L34-H36 VanDerWaalsContact C-N 3.29Å; L34-H36 PolarHBondContact O-N 3.15Å; L34-E58 HydrophobicContact CD1-CB 4.47Å; L34-E58 HydrophobicContact CD1-CG 4.27Å; L34-E58 HydrophobicContact CD2-CG 4.39Å
35Q81.7Confident87.9Confident63 Ų6374 Ų7429%0.29437%0.372SS..  trans-88.711.2-177.6-67.3178.619.800113.5F29 G32 F40F29-Q35 HydrophobicContact CD2-CG 3.91Å; F29-Q35 HydrophobicContact CE2-CG 3.5Å; F29-Q35 VanDerWaalsContact CE2-CG 3.5Å; F29-Q35 HydrophobicContact CZ-CG 4.06Å; F29-Q35 PolarHBondContact O-NE2 3.05Å; G32-Q35 PolarHBondContact O-N 3.3Å; Q35-F40 HydrophobicContact CB-CE2 4.16Å; Q35-F40 HydrophobicContact CG-CE2 4.23Å
36H76.1Confident87.6Confident140 Ų14075 Ų7565%0.64839%0.389SS*.SBendtrans-84.5-13.2-168.458.2-81.3000114.9L34L34-H36 VanDerWaalsContact C-N 3.29Å; L34-H36 PolarHBondContact O-N 3.15Å
37I70.3Confident87.6Confident89 Ų8975.2 Ų75.246%0.45639%0.39SS..SBendtrans-105.3-12.3-168.5-52.2174000112.6P57I37-P57 HydrophobicContact CD1-CG 4.45Å
38H74.7Confident87.7Confident92 Ų9274.8 Ų74.843%0.42639%0.387SS..  trans-144.2143.4-165.9-154.374000112.6F40 L56H38-F40 HydrophobicContact CB-CE1 4.16Å; H38-F40 HydrophobicContact CB-CE2 3.99Å; H38-F40 HydrophobicContact CB-CZ 3.7Å; H38-F40 AromaticContact CD2-CE1 3.96Å; H38-F40 WeakPolarHBondContact O-CD2 3.27Å; H38-F40 VanDerWaalsContact O-CE2 3.27Å; H38-F40 WeakPolarHBondContact O-CE2 3.37Å; H38-L56 HydrophobicContact CB-CD2 3.91Å
39K84.5Confident87.7Confident197 Ų19772.9 Ų72.986%0.85738%0.379SS*.  trans-89.6112.6169.6-174.1178.5-179.7-178.90108.2
40F90.7Very high87.8Confident32 Ų3272.9 Ų72.914%0.1438%0.379CS..  trans-87.8158.5179.9-59.5-81.4000111.6F29 Q35 H38 D42 F48 E52 L56F29-F40 AromaticContact CE2-CE1 3.81Å; F29-F40 HydrophobicContact CE2-CE1 3.81Å; F29-F40 AromaticContact CE2-CE2 3.84Å; F29-F40 HydrophobicContact CE2-CE2 3.84Å; F29-F40 AromaticContact CE2-CZ 3.34Å; F29-F40 HydrophobicContact CE2-CZ 3.34Å; F29-F40 HydrophobicContact CZ-CD1 4.24Å; F29-F40 AromaticContact CZ-CE1 3.77Å; F29-F40 HydrophobicContact CZ-CE1 3.77Å; F29-F40 HydrophobicContact CZ-CE2 4.17Å; F29-F40 AromaticContact CZ-CZ 3.73Å; F29-F40 HydrophobicContact CZ-CZ 3.73Å; Q35-F40 HydrophobicContact CB-CE2 4.16Å; Q35-F40 HydrophobicContact CG-CE2 4.23Å; H38-F40 HydrophobicContact CB-CE1 4.16Å; H38-F40 HydrophobicContact CB-CE2 3.99Å; H38-F40 HydrophobicContact CB-CZ 3.7Å; H38-F40 AromaticContact CD2-CE1 3.96Å; H38-F40 WeakPolarHBondContact O-CD2 3.27Å; H38-F40 VanDerWaalsContact O-CE2 3.27Å; H38-F40 WeakPolarHBondContact O-CE2 3.37Å; F40-D42 PolarHBondContact O-N 3.44Å; F40-F48 HydrophobicContact CB-CD1 3.97Å; F40-F48 HydrophobicContact CB-CE1 4.05Å; F40-F48 HydrophobicContact CD1-CD1 4.2Å; F40-F48 HydrophobicContact CD2-CD1 4.42Å; F40-F48 HydrophobicContact CD2-CE1 4.08Å; F40-F48 AromaticContact CG-CD1 3.92Å; F40-F48 HydrophobicContact CG-CD1 3.92Å; F40-F48 AromaticContact CG-CE1 3.99Å; F40-F48 HydrophobicContact CG-CE1 3.99Å; F40-E52 WeakPolarHBondContact CA-OE2 3.33Å; F40-E52 HydrophobicContact CD1-CB 3.93Å; F40-E52 HydrophobicContact CE1-CB 4.35Å; F40-L56 HydrophobicContact CE1-CD1 4.26Å; F40-L56 HydrophobicContact CE1-CD2 4.27Å; F40-L56 HydrophobicContact CE1-CG 4.45Å; F40-L56 HydrophobicContact CZ-CD1 3.99Å; F40-L56 HydrophobicContact CZ-CD2 3.87Å; F40-L56 HydrophobicContact CZ-CG 4.34Å
41T93.6Very high87.9Confident62 Ų6276.2 Ų76.238%0.3840%0.397SS..  trans-60.9127.6168.4-66.50000109.6L43 L49 E52T41-L43 HydrophobicContact CG2-CD2 3.97Å; T41-L43 HydrophobicContact CG2-CG 4.13Å; T41-L43 PolarHBondContact O-N 3.48Å; T41-L49 HydrophobicContact CG2-CD1 4.28Å; T41-E52 VanDerWaalsContact CB-OE1 3.31Å; T41-E52 WeakPolarHBondContact CB-OE1 3.41Å; T41-E52 PolarHBondContact N-OE1 3Å; T41-E52 VanDerWaalsContact N-OE1 3.13Å; T41-E52 PolarHBondContact N-OE2 3.21Å; T41-E52 PolarHBondContact OG1-OE1 3.29Å
42D90.3Very high88Confident159 Ų15972.1 Ų72.185%0.8538%0.38SS*.  trans-71.7110.5176.3-172.921.8000109.8F40F40-D42 PolarHBondContact O-N 3.44Å
43L91Very high88.2Confident37 Ų3770.3 Ų70.319%0.19436%0.362CS..  trans-120.1142.9179.5-66178.9000110.3T41 Y47 L49 K87T41-L43 HydrophobicContact CG2-CD2 3.97Å; T41-L43 HydrophobicContact CG2-CG 4.13Å; T41-L43 PolarHBondContact O-N 3.48Å; L43-Y47 WeakPolarHBondContact CB-O 3.34Å; L43-L49 HydrophobicContact CD1-CD2 3.93Å; L43-L49 HydrophobicContact CD1-CG 3.94Å; L43-K87 HydrophobicContact CD1-CB 4.07Å; L43-K87 HydrophobicContact CD1-CD 4.12Å
44P88.2Confident88.6Confident81 Ų8164.5 Ų64.553%0.52634%0.337SS..G310 helixtrans-66.5161.6179.428.8-35.9000112.1G46 Y47P44-G46 PolarHBondContact O-N 3.45Å; P44-Y47 WeakPolarHBondContact O-CD2 3.39Å; P44-Y47 PolarHBondContact O-N 2.88Å
45D87Confident89.1Confident114 Ų11468.3 Ų68.361%0.6135%0.354SS*.G310 helixtrans57.127.2173.6-41.7-50.2000115.9Y47 R89D45-Y47 HydrophobicContact CB-CD2 4.18Å; D45-Y47 HydrophobicContact CB-CE2 4.33Å; D45-R89 WeakPolarHBondContact O-CD 3.36Å; D45-R89 PolarHBondContact O-NH1 3.24Å
46G89.6Confident89.6Confident46 Ų4665.5 Ų65.547%0.47434%0.341SS..G310 helixtrans73.223.6175.800000114.5P44 R89P44-G46 PolarHBondContact O-N 3.45Å; G46-R89 WeakPolarHBondContact O-CB 3.17Å
47Y94.6Very high90.3Very high4 Ų462.3 Ų62.32%0.01633%0.333CS..  trans-79.7153.7174.2-82-81.2000112.4L43 P44 D45 S82 R84 K87 V88 R89L43-Y47 WeakPolarHBondContact CB-O 3.34Å; P44-Y47 WeakPolarHBondContact O-CD2 3.39Å; P44-Y47 PolarHBondContact O-N 2.88Å; D45-Y47 HydrophobicContact CB-CD2 4.18Å; D45-Y47 HydrophobicContact CB-CE2 4.33Å; Y47-S82 PolarHBondContact OH-OG 3.03Å; Y47-R84 HydrophobicContact CE1-CB 4.28Å; Y47-R84 HydrophobicContact CE1-CG 4.35Å; Y47-R84 VanDerWaalsContact OH-CD 3.32Å; Y47-R84 WeakPolarHBondContact OH-CD 3.37Å; Y47-R84 WeakPolarHBondContact OH-CG 3.42Å; Y47-R84 PolarHBondContact OH-NE 2.91Å; Y47-K87 HydrophobicContact CD1-CB 3.84Å; Y47-K87 HydrophobicContact CD1-CD 3.84Å; Y47-K87 HydrophobicContact CD1-CG 3.59Å; Y47-K87 HydrophobicContact CD2-CD 4.29Å; Y47-K87 HydrophobicContact CE1-CG 4.16Å; Y47-K87 HydrophobicContact CG-CB 4.3Å; Y47-K87 HydrophobicContact CG-CD 3.71Å; Y47-K87 HydrophobicContact CG-CG 4.02Å; Y47-V88 WeakPolarHBondContact CA-O 3.39Å; Y47-R89 HydrophobicContact CD1-CB 3.85Å; Y47-R89 HydrophobicContact CD1-CG 3.96Å; Y47-R89 HydrophobicContact CD2-CG 4.39Å; Y47-R89 HydrophobicContact CE1-CB 4.07Å; Y47-R89 HydrophobicContact CE1-CG 3.65Å; Y47-R89 VanDerWaalsContact CE2-CD 3.47Å; Y47-R89 HydrophobicContact CE2-CG 4.11Å; Y47-R89 HydrophobicContact CG-CB 4.08Å; Y47-R89 HydrophobicContact CG-CG 4.32Å; Y47-R89 PolarHBondContact OH-NE 3.3Å
48F96Very high91.4Very high31 Ų3160.3 Ų60.314%0.13632%0.322CS..EExtended strand (participates in β ladder)trans-132.7146.3171.5-70.5-92.3000109.5F29 L30 F40 I53 K87 V88F29-F48 HydrophobicContact CE1-CB 4Å; F29-F48 AromaticContact CE1-CD1 3.94Å; F29-F48 HydrophobicContact CE1-CD1 3.94Å; F29-F48 HydrophobicContact CE1-CD2 4.08Å; F29-F48 HydrophobicContact CE1-CE1 4.44Å; F29-F48 AromaticContact CE1-CG 3.73Å; F29-F48 HydrophobicContact CE1-CG 3.73Å; F29-F48 HydrophobicContact CZ-CB 4.43Å; F29-F48 AromaticContact CZ-CD1 3.64Å; F29-F48 HydrophobicContact CZ-CD1 3.64Å; F29-F48 AromaticContact CZ-CE1 3.97Å; F29-F48 HydrophobicContact CZ-CE1 3.97Å; F29-F48 AromaticContact CZ-CG 3.95Å; F29-F48 HydrophobicContact CZ-CG 3.95Å; L30-F48 HydrophobicContact CD2-CD2 3.68Å; L30-F48 HydrophobicContact CD2-CE2 4.32Å; L30-F48 HydrophobicContact CD2-CG 4.42Å; F40-F48 HydrophobicContact CB-CD1 3.97Å; F40-F48 HydrophobicContact CB-CE1 4.05Å; F40-F48 HydrophobicContact CD1-CD1 4.2Å; F40-F48 HydrophobicContact CD2-CD1 4.42Å; F40-F48 HydrophobicContact CD2-CE1 4.08Å; F40-F48 AromaticContact CG-CD1 3.92Å; F40-F48 HydrophobicContact CG-CD1 3.92Å; F40-F48 AromaticContact CG-CE1 3.99Å; F40-F48 HydrophobicContact CG-CE1 3.99Å; F48-I53 HydrophobicContact CB-CD1 3.89Å; F48-I53 HydrophobicContact CB-CG1 4.2Å; F48-K87 CarbonylContact O-C 3.54Å; F48-K87 WeakPolarHBondContact O-CA 3.42Å; F48-K87 WeakPolarHBondContact O-CB 3.21Å; F48-V88 PolarHBondContact N-O 3.46Å; F48-V88 PolarHBondContact O-N 2.83Å
49L95.9Very high92.3Very high43 Ų4355.9 Ų55.923%0.22530%0.302CS..EExtended strand (participates in β ladder)trans-70.8128.8173.7-67.7178.5000109.8T41 L43 D51 E52 I53T41-L49 HydrophobicContact CG2-CD1 4.28Å; L43-L49 HydrophobicContact CD1-CD2 3.93Å; L43-L49 HydrophobicContact CD1-CG 3.94Å; L49-D51 PolarHBondContact O-N 3.36Å; L49-E52 HydrophobicContact CB-CB 4.31Å; L49-E52 HydrophobicContact CB-CG 3.93Å; L49-E52 HydrophobicContact CD1-CG 4.33Å; L49-E52 PolarHBondContact O-N 2.83Å; L49-E52 VanDerWaalsContact O-N 3.11Å; L49-I53 WeakPolarHBondContact O-CG1 3.21Å; L49-I53 PolarHBondContact O-N 2.89Å
50I96.1Very high92.7Very high0 Ų051.7 Ų51.70%028%0.283CS..Hα-helixtrans-61-39179.7-65169.1000110.3E52 I53 I54 Y66 I69 I70 V83 S86 V88I50-E52 PolarHBondContact O-N 3.43Å; I50-I53 PolarHBondContact O-N 3.4Å; I50-I53 VanDerWaalsContact O-N 3.11Å; I50-I54 HydrophobicContact CG2-CG2 4.28Å; I50-I54 PolarHBondContact O-N 3.02Å; I50-Y66 HydrophobicContact CB-CD2 3.69Å; I50-Y66 HydrophobicContact CB-CE2 3.69Å; I50-Y66 HydrophobicContact CD1-CD2 4.49Å; I50-Y66 HydrophobicContact CD1-CE2 3.95Å; I50-Y66 HydrophobicContact CG1-CE2 4.38Å; I50-Y66 HydrophobicContact CG2-CD2 3.41Å; I50-Y66 VanDerWaalsContact CG2-CD2 3.41Å; I50-Y66 HydrophobicContact CG2-CE2 3.9Å; I50-Y66 HydrophobicContact CG2-CG 3.97Å; I50-I69 HydrophobicContact CD1-CG2 4.12Å; I50-I69 HydrophobicContact CG1-CG2 4.06Å; I50-I69 HydrophobicContact CG2-CB 3.82Å; I50-I69 HydrophobicContact CG2-CG1 4.08Å; I50-I69 HydrophobicContact CG2-CG2 3.89Å; I50-I70 HydrophobicContact CD1-CD1 3.42Å; I50-I70 VanDerWaalsContact CD1-CD1 3.42Å; I50-I70 HydrophobicContact CD1-CG1 4.32Å; I50-V83 HydrophobicContact CD1-CG2 4.06Å; I50-S86 PolarHBondContact N-O 3.41Å; I50-V88 HydrophobicContact CD1-CB 4.46Å; I50-V88 HydrophobicContact CG1-CB 4.14Å; I50-V88 HydrophobicContact CG1-CG1 3.86Å
51D95.2Very high92.7Very high89 Ų8958 Ų5848%0.47631%0.311SS..Hα-helixtrans-61.4-27.5177.9-69.5-40.7000113.3L49 I54 Q55 Y66L49-D51 PolarHBondContact O-N 3.36Å; D51-I54 WeakPolarHBondContact O-CG1 3.38Å; D51-Q55 VanDerWaalsContact O-CG 3.31Å; D51-Q55 WeakPolarHBondContact O-CG 3.31Å; D51-Y66 WeakPolarHBondContact OD1-CD2 3.24Å
52E94.2Very high92.5Very high33 Ų3357.7 Ų57.715%0.15431%0.305CS..Hα-helixtrans-80.4-39174.1-64.8-179.5160.400111.4F40 T41 L49 I50 I54 Q55F40-E52 WeakPolarHBondContact CA-OE2 3.33Å; F40-E52 HydrophobicContact CD1-CB 3.93Å; F40-E52 HydrophobicContact CE1-CB 4.35Å; T41-E52 VanDerWaalsContact CB-OE1 3.31Å; T41-E52 WeakPolarHBondContact CB-OE1 3.41Å; T41-E52 PolarHBondContact N-OE1 3Å; T41-E52 VanDerWaalsContact N-OE1 3.13Å; T41-E52 PolarHBondContact N-OE2 3.21Å; T41-E52 PolarHBondContact OG1-OE1 3.29Å; L49-E52 HydrophobicContact CB-CB 4.31Å; L49-E52 HydrophobicContact CB-CG 3.93Å; L49-E52 HydrophobicContact CD1-CG 4.33Å; L49-E52 PolarHBondContact O-N 2.83Å; L49-E52 VanDerWaalsContact O-N 3.11Å; I50-E52 PolarHBondContact O-N 3.43Å; E52-I54 PolarHBondContact O-N 3.2Å; E52-Q55 PolarHBondContact O-N 3.5Å
53I94.6Very high92.5Very high0 Ų057.2 Ų57.20%030%0.297CS..Hα-helixtrans-60.9-47.2179.5-62.1174.1000110.8L26 F29 F48 L49 I50 Q55 L56 F59 V88L26-I53 HydrophobicContact CD1-CD1 4.04Å; L26-I53 HydrophobicContact CD1-CG2 4.27Å; F29-I53 HydrophobicContact CD1-CD1 3.91Å; F29-I53 HydrophobicContact CD1-CG1 3.97Å; F29-I53 HydrophobicContact CD1-CG2 4.21Å; F29-I53 HydrophobicContact CE1-CD1 3.58Å; F29-I53 HydrophobicContact CE1-CG1 3.45Å; F29-I53 VanDerWaalsContact CE1-CG1 3.45Å; F29-I53 HydrophobicContact CE1-CG2 4.49Å; F29-I53 HydrophobicContact CZ-CD1 4.5Å; F29-I53 HydrophobicContact CZ-CG1 3.92Å; F48-I53 HydrophobicContact CB-CD1 3.89Å; F48-I53 HydrophobicContact CB-CG1 4.2Å; L49-I53 WeakPolarHBondContact O-CG1 3.21Å; L49-I53 PolarHBondContact O-N 2.89Å; I50-I53 PolarHBondContact O-N 3.4Å; I50-I53 VanDerWaalsContact O-N 3.11Å; I53-Q55 PolarHBondContact O-N 3.31Å; I53-Q55 VanDerWaalsContact O-N 3.12Å; I53-L56 VanDerWaalsContact O-CB 3.32Å; I53-L56 WeakPolarHBondContact O-CB 3.47Å; I53-L56 WeakPolarHBondContact O-CG 3.26Å; I53-L56 PolarHBondContact O-N 2.87Å; I53-F59 HydrophobicContact CG2-CD1 3.92Å; I53-F59 HydrophobicContact CG2-CD2 3.97Å; I53-F59 HydrophobicContact CG2-CE1 3.57Å; I53-F59 HydrophobicContact CG2-CE2 3.6Å; I53-F59 HydrophobicContact CG2-CG 4.1Å; I53-F59 HydrophobicContact CG2-CZ 3.38Å; I53-V88 HydrophobicContact CD1-CG1 3.45Å; I53-V88 VanDerWaalsContact CD1-CG1 3.45Å
54I94Very high92.6Very high22 Ų2256 Ų5611%0.11329%0.292CS..THydrogen-bonded Turntrans-67.4-12.7-17865.3178.2000112.8I50 D51 E52 L56 K60 I69I50-I54 HydrophobicContact CG2-CG2 4.28Å; I50-I54 PolarHBondContact O-N 3.02Å; D51-I54 WeakPolarHBondContact O-CG1 3.38Å; E52-I54 PolarHBondContact O-N 3.2Å; I54-L56 VanDerWaalsContact C-N 3.32Å; I54-K60 WeakPolarHBondContact O-CG 3.31Å; I54-I69 HydrophobicContact CG2-CG1 3.9Å
55Q92.8Very high92.8Very high100 Ų10055.6 Ų55.647%0.46729%0.288SS..THydrogen-bonded Turntrans-79.4-14.9174.1-63.7-53.2-42.800113.8D51 E52 I53 K60D51-Q55 VanDerWaalsContact O-CG 3.31Å; D51-Q55 WeakPolarHBondContact O-CG 3.31Å; E52-Q55 PolarHBondContact O-N 3.5Å; I53-Q55 PolarHBondContact O-N 3.31Å; I53-Q55 VanDerWaalsContact O-N 3.12Å; Q55-K60 WeakPolarHBondContact O-CD 3.15Å; Q55-K60 WeakPolarHBondContact O-CE 3.32Å; Q55-K60 PolarHBondContact O-NZ 3.11Å
56L92.1Very high93.1Very high4 Ų453.3 Ų53.32%0.02127%0.271CS..SBendtrans-66.6143.3-178.4-65.9173.7000111.8F29 H38 F40 I53 I54 E58 F59 K60F29-L56 HydrophobicContact CD2-CD1 3.45Å; F29-L56 VanDerWaalsContact CD2-CD1 3.45Å; F29-L56 HydrophobicContact CE2-CD1 3.52Å; F29-L56 HydrophobicContact CG-CD1 4.32Å; F29-L56 HydrophobicContact CZ-CD1 4.43Å; H38-L56 HydrophobicContact CB-CD2 3.91Å; F40-L56 HydrophobicContact CE1-CD1 4.26Å; F40-L56 HydrophobicContact CE1-CD2 4.27Å; F40-L56 HydrophobicContact CE1-CG 4.45Å; F40-L56 HydrophobicContact CZ-CD1 3.99Å; F40-L56 HydrophobicContact CZ-CD2 3.87Å; F40-L56 HydrophobicContact CZ-CG 4.34Å; I53-L56 VanDerWaalsContact O-CB 3.32Å; I53-L56 WeakPolarHBondContact O-CB 3.47Å; I53-L56 WeakPolarHBondContact O-CG 3.26Å; I53-L56 PolarHBondContact O-N 2.87Å; I54-L56 VanDerWaalsContact C-N 3.32Å; L56-E58 PolarHBondContact O-N 3.25Å; L56-E58 VanDerWaalsContact O-N 3.13Å; L56-F59 HydrophobicContact CB-CD2 3.95Å; L56-F59 HydrophobicContact CD1-CD2 4.23Å; L56-F59 HydrophobicContact CD1-CE2 4.2Å; L56-F59 PolarHBondContact O-N 3.46Å; L56-K60 PolarHBondContact O-N 2.87Å
57P92.2Very high93.1Very high74 Ų7456.4 Ų56.448%0.48128%0.277SS..Hα-helixtrans-52-38.6-177.5-27.635.2000113.9I37 K61I37-P57 HydrophobicContact CD1-CG 4.45Å; P57-K61 WeakPolarHBondContact O-CB 3.31Å; P57-K61 PolarHBondContact O-N 3.48Å
58E91.9Very high92.9Very high46 Ų4657.3 Ų57.322%0.21528%0.281CS..Hα-helixtrans-67.4-39.2-179.1-5786.4162.100112.1L25 L34 L56 E62L25-E58 HydrophobicContact CD1-CB 3.81Å; L25-E58 HydrophobicContact CD2-CB 4.15Å; L25-E58 HydrophobicContact CG-CB 4.5Å; L34-E58 HydrophobicContact CD1-CB 4.47Å; L34-E58 HydrophobicContact CD1-CG 4.27Å; L34-E58 HydrophobicContact CD2-CG 4.39Å; L56-E58 PolarHBondContact O-N 3.25Å; L56-E58 VanDerWaalsContact O-N 3.13Å; E58-E62 PolarHBondContact O-N 2.76Å
59F93.5Very high92.8Very high0 Ų055.9 Ų55.90%028%0.275CS..Hα-helixtrans-77.7-36.7177.6-71.5-98.5000111.7L25 L26 F29 I53 L56 K61 E62 H63 C64 I69L25-F59 HydrophobicContact CB-CZ 4.47Å; L25-F59 HydrophobicContact CD2-CD1 3.9Å; L25-F59 HydrophobicContact CD2-CD2 3.93Å; L25-F59 HydrophobicContact CD2-CE1 4Å; L25-F59 HydrophobicContact CD2-CE2 4.05Å; L25-F59 HydrophobicContact CD2-CG 3.87Å; L25-F59 HydrophobicContact CD2-CZ 4.09Å; L25-F59 HydrophobicContact CG-CD1 4.47Å; L25-F59 HydrophobicContact CG-CD2 4.25Å; L25-F59 HydrophobicContact CG-CE1 4.08Å; L25-F59 HydrophobicContact CG-CE2 3.86Å; L25-F59 HydrophobicContact CG-CZ 3.77Å; L26-F59 HydrophobicContact CB-CE1 4.37Å; L26-F59 HydrophobicContact CB-CZ 4.44Å; L26-F59 HydrophobicContact CD1-CE1 4.4Å; L26-F59 HydrophobicContact CD1-CZ 4.35Å; F29-F59 HydrophobicContact CB-CE2 4.04Å; F29-F59 HydrophobicContact CB-CZ 4.07Å; F29-F59 HydrophobicContact CG-CE2 4.41Å; I53-F59 HydrophobicContact CG2-CD1 3.92Å; I53-F59 HydrophobicContact CG2-CD2 3.97Å; I53-F59 HydrophobicContact CG2-CE1 3.57Å; I53-F59 HydrophobicContact CG2-CE2 3.6Å; I53-F59 HydrophobicContact CG2-CG 4.1Å; I53-F59 HydrophobicContact CG2-CZ 3.38Å; L56-F59 HydrophobicContact CB-CD2 3.95Å; L56-F59 HydrophobicContact CD1-CD2 4.23Å; L56-F59 HydrophobicContact CD1-CE2 4.2Å; L56-F59 PolarHBondContact O-N 3.46Å; F59-K61 VanDerWaalsContact C-N 3.31Å; F59-K61 PolarHBondContact O-N 2.77Å; F59-E62 PolarHBondContact O-N 3.37Å; F59-H63 PolarHBondContact O-N 2.58Å; F59-C64 HydrophobicContact CB-CB 4.19Å; F59-C64 HydrophobicContact CD1-CB 4.18Å; F59-C64 PolarHBondContact O-N 3.36Å; F59-I69 HydrophobicContact CD1-CD1 4.08Å; F59-I69 HydrophobicContact CE1-CD1 3.9Å
60K92.8Very high92.5Very high108 Ų10855 Ų5547%0.4727%0.271SS..Hα-helixtrans-60.8-40.1172.1-75.8-171.5173.3169.80112I54 Q55 L56 E62 H63I54-K60 WeakPolarHBondContact O-CG 3.31Å; Q55-K60 WeakPolarHBondContact O-CD 3.15Å; Q55-K60 WeakPolarHBondContact O-CE 3.32Å; Q55-K60 PolarHBondContact O-NZ 3.11Å; L56-K60 PolarHBondContact O-N 2.87Å; K60-E62 VanDerWaalsContact C-N 3.25Å; K60-E62 PolarHBondContact O-N 2.89Å; K60-H63 WeakPolarHBondContact O-CA 3.27Å; K60-H63 PolarHBondContact O-N 3.49Å
61K91.4Very high92.1Very high166 Ų16658.1 Ų58.172%0.72229%0.287SS*.Hα-helixtrans-61.2-34.5176.6-176.7179.5177.3-177.70112.5P57 F59 H63P57-K61 WeakPolarHBondContact O-CB 3.31Å; P57-K61 PolarHBondContact O-N 3.48Å; F59-K61 VanDerWaalsContact C-N 3.31Å; F59-K61 PolarHBondContact O-N 2.77Å; K61-H63 VanDerWaalsContact C-N 3.27Å
62E89.5Confident91.8Very high54 Ų5454 Ų5425%0.25227%0.265SS..THydrogen-bonded Turntrans-82.9-2.5174.5-67.9-63.9145.600112.9R18 L25 E58 F59 K60 C64R18-E62 VanDerWaalsContact CZ-O 3.25Å; R18-E62 PolarHBondContact NH1-O 2.84Å; R18-E62 PolarHBondContact NH2-O 3.43Å; L25-E62 HydrophobicContact CD2-CG 4.24Å; E58-E62 PolarHBondContact O-N 2.76Å; F59-E62 PolarHBondContact O-N 3.37Å; K60-E62 VanDerWaalsContact C-N 3.25Å; K60-E62 PolarHBondContact O-N 2.89Å; E62-C64 VanDerWaalsContact CB-SG 3.56Å; E62-C64 PolarHBondContact O-N 3.34Å
63H90.9Very high91.6Very high149 Ų14953.1 Ų53.169%0.6926%0.262SS*.THydrogen-bonded Turntrans54.736.7-171.8-54.6-70.8000113F59 K60 K61 T65F59-H63 PolarHBondContact O-N 2.58Å; K60-H63 WeakPolarHBondContact O-CA 3.27Å; K60-H63 PolarHBondContact O-N 3.49Å; K61-H63 VanDerWaalsContact C-N 3.27Å; H63-T65 PolarHBondContact O-N 3.13Å
64C92.5Very high91.1Very high12 Ų1258.1 Ų58.18%0.08129%0.285CS..  trans-65.3132.4-179.4-68.50000111.3F59 E62 E68F59-C64 HydrophobicContact CB-CB 4.19Å; F59-C64 HydrophobicContact CD1-CB 4.18Å; F59-C64 PolarHBondContact O-N 3.36Å; E62-C64 VanDerWaalsContact CB-SG 3.56Å; E62-C64 PolarHBondContact O-N 3.34Å; C64-E68 WeakPolarHBondContact CA-OE2 3.31Å
65T93.2Very high90.3Very high72 Ų7259.3 Ų59.344%0.44229%0.292SS..  trans-102165.917268.90000111.3H63 D67 E68 I69H63-T65 PolarHBondContact O-N 3.13Å; T65-D67 VanDerWaalsContact C-N 3.35Å; T65-E68 PolarHBondContact O-N 2.95Å; T65-E68 WeakPolarHBondContact OG1-CB 3.45Å; T65-E68 PolarHBondContact OG1-N 3.25Å; T65-E68 VanDerWaalsContact OG1-N 3.14Å; T65-I69 PolarHBondContact O-N 3.11Å; T65-I69 VanDerWaalsContact O-N 3.15Å
66Y92.4Very high89.9Confident66 Ų6655.2 Ų55.226%0.25927%0.273SS..Hα-helixtrans-55.2-51172.5177.9-80.3000111.2I50 D51 E68 I69 I70 G85 S86I50-Y66 HydrophobicContact CB-CD2 3.69Å; I50-Y66 HydrophobicContact CB-CE2 3.69Å; I50-Y66 HydrophobicContact CD1-CD2 4.49Å; I50-Y66 HydrophobicContact CD1-CE2 3.95Å; I50-Y66 HydrophobicContact CG1-CE2 4.38Å; I50-Y66 HydrophobicContact CG2-CD2 3.41Å; I50-Y66 VanDerWaalsContact CG2-CD2 3.41Å; I50-Y66 HydrophobicContact CG2-CE2 3.9Å; I50-Y66 HydrophobicContact CG2-CG 3.97Å; D51-Y66 WeakPolarHBondContact OD1-CD2 3.24Å; Y66-E68 PolarHBondContact O-N 3.07Å; Y66-I69 WeakPolarHBondContact O-CB 3.49Å; Y66-I69 PolarHBondContact O-N 3.08Å; Y66-I69 VanDerWaalsContact O-N 3.08Å; Y66-I70 HydrophobicContact CD1-CG1 3.88Å; Y66-I70 HydrophobicContact CE1-CD1 3.89Å; Y66-I70 HydrophobicContact CE1-CG1 3.49Å; Y66-I70 VanDerWaalsContact CE1-CG1 3.49Å; Y66-I70 WeakPolarHBondContact O-CG1 3.42Å; Y66-I70 PolarHBondContact O-N 3.31Å; Y66-I70 VanDerWaalsContact O-N 3.07Å; Y66-G85 PolarHBondContact OH-O 2.92Å; Y66-S86 VanDerWaalsContact OH-CA 3.27Å; Y66-S86 WeakPolarHBondContact OH-CA 3.48Å
67D89.3Confident89Confident112 Ų11255.7 Ų55.760%0.59928%0.278SS*.Hα-helixtrans-62-35.2-179-66-34.1000111.8T65 I69 I70 D71T65-D67 VanDerWaalsContact C-N 3.35Å; D67-I69 VanDerWaalsContact C-N 3.35Å; D67-I69 PolarHBondContact O-N 3.25Å; D67-I70 WeakPolarHBondContact O-CB 3.24Å; D67-I70 PolarHBondContact O-N 2.94Å; D67-D71 WeakPolarHBondContact O-CB 3.23Å; D67-D71 PolarHBondContact O-N 2.83Å
68E91Very high88.4Confident23 Ų2355.7 Ų55.711%0.10727%0.273CS..Hα-helixtrans-66.5-35.8176.1-173.3164.2-143.200112.6R18 Y19 I22 C64 T65 Y66 D71 V72R18-E68 IonicContact CZ-OE1 3.87Å; R18-E68 IonicContact CZ-OE2 2.75Å; R18-E68 IonicContact NE-OE1 2.78Å; R18-E68 PolarHBondContact NE-OE1 2.83Å; R18-E68 IonicContact NE-OE2 3.39Å; R18-E68 IonicContact NH2-OE1 2.77Å; R18-E68 PolarHBondContact NH2-OE1 3.35Å; R18-E68 IonicContact NH2-OE2 3.25Å; R18-E68 PolarHBondContact NH2-OE2 2.91Å; Y19-E68 HydrophobicContact CE1-CG 4.37Å; I22-E68 HydrophobicContact CD1-CG 3.6Å; I22-E68 WeakPolarHBondContact CD1-OE1 3.5Å; I22-E68 WeakPolarHBondContact CD1-OE2 3.42Å; C64-E68 WeakPolarHBondContact CA-OE2 3.31Å; T65-E68 PolarHBondContact O-N 2.95Å; T65-E68 WeakPolarHBondContact OG1-CB 3.45Å; T65-E68 PolarHBondContact OG1-N 3.25Å; T65-E68 VanDerWaalsContact OG1-N 3.14Å; Y66-E68 PolarHBondContact O-N 3.07Å; E68-D71 PolarHBondContact O-N 2.85Å; E68-V72 WeakPolarHBondContact O-CB 3.46Å; E68-V72 WeakPolarHBondContact O-CG2 3.47Å; E68-V72 PolarHBondContact O-N 3.48Å
69I93.5Very high87.8Confident0 Ų055 Ų550%027%0.27CS..Hα-helixtrans-65.1-42.9171.5-64.2-64.7000110.6I22 L26 I50 I54 F59 T65 Y66 D67 D71 V72 V73I22-I69 HydrophobicContact CG2-CD1 3.78Å; L26-I69 HydrophobicContact CD2-CG2 4.18Å; I50-I69 HydrophobicContact CD1-CG2 4.12Å; I50-I69 HydrophobicContact CG1-CG2 4.06Å; I50-I69 HydrophobicContact CG2-CB 3.82Å; I50-I69 HydrophobicContact CG2-CG1 4.08Å; I50-I69 HydrophobicContact CG2-CG2 3.89Å; I54-I69 HydrophobicContact CG2-CG1 3.9Å; F59-I69 HydrophobicContact CD1-CD1 4.08Å; F59-I69 HydrophobicContact CE1-CD1 3.9Å; T65-I69 PolarHBondContact O-N 3.11Å; T65-I69 VanDerWaalsContact O-N 3.15Å; Y66-I69 WeakPolarHBondContact O-CB 3.49Å; Y66-I69 PolarHBondContact O-N 3.08Å; Y66-I69 VanDerWaalsContact O-N 3.08Å; D67-I69 VanDerWaalsContact C-N 3.35Å; D67-I69 PolarHBondContact O-N 3.25Å; I69-D71 VanDerWaalsContact C-N 3.34Å; I69-D71 PolarHBondContact O-N 3.44Å; I69-V72 PolarHBondContact O-N 3.19Å; I69-V73 HydrophobicContact CG2-CG2 4.44Å; I69-V73 VanDerWaalsContact O-CG2 3.27Å; I69-V73 WeakPolarHBondContact O-CG2 3.27Å; I69-V73 PolarHBondContact O-N 3.37Å
70I90.1Very high87.5Confident26 Ų2656.3 Ų56.313%0.13328%0.275CS..Hα-helixtrans-58.7-47.5175.8-62.5-60.2000110.6I50 Y66 D67 V73 H74 V83I50-I70 HydrophobicContact CD1-CD1 3.42Å; I50-I70 VanDerWaalsContact CD1-CD1 3.42Å; I50-I70 HydrophobicContact CD1-CG1 4.32Å; Y66-I70 HydrophobicContact CD1-CG1 3.88Å; Y66-I70 HydrophobicContact CE1-CD1 3.89Å; Y66-I70 HydrophobicContact CE1-CG1 3.49Å; Y66-I70 VanDerWaalsContact CE1-CG1 3.49Å; Y66-I70 WeakPolarHBondContact O-CG1 3.42Å; Y66-I70 PolarHBondContact O-N 3.31Å; Y66-I70 VanDerWaalsContact O-N 3.07Å; D67-I70 WeakPolarHBondContact O-CB 3.24Å; D67-I70 PolarHBondContact O-N 2.94Å; I70-V73 PolarHBondContact O-N 3.46Å; I70-H74 WeakPolarHBondContact CG2-CE1 3.4Å; I70-H74 VanDerWaalsContact CG2-ND1 3.35Å; I70-H74 WeakPolarHBondContact CG2-ND1 3.27Å; I70-H74 WeakPolarHBondContact O-CB 3.49Å; I70-H74 PolarHBondContact O-N 2.95Å; I70-H74 PolarHBondContact O-ND1 3.4Å; I70-V83 HydrophobicContact CD1-CG2 3.6Å
71D86.9Confident87.5Confident65 Ų6551.4 Ų51.435%0.34825%0.254SS..Hα-helixtrans-62.6-44.4178.6-78.1-15.1000111.8Y19 D67 E68 I69 V73 H74 N75Y19-D71 HydrophobicContact CE1-CB 4.47Å; D67-D71 WeakPolarHBondContact O-CB 3.23Å; D67-D71 PolarHBondContact O-N 2.83Å; E68-D71 PolarHBondContact O-N 2.85Å; I69-D71 VanDerWaalsContact C-N 3.34Å; I69-D71 PolarHBondContact O-N 3.44Å; D71-V73 VanDerWaalsContact C-N 3.32Å; D71-V73 PolarHBondContact O-N 2.9Å; D71-H74 PolarHBondContact O-N 3.47Å; D71-N75 VanDerWaalsContact O-CB 3.23Å; D71-N75 WeakPolarHBondContact O-CB 3.26Å; D71-N75 PolarHBondContact O-N 3.43Å; D71-N75 PolarHBondContact O-ND2 3.09Å
72V89.8Confident87.5Confident3 Ų344.7 Ų44.72%0.01823%0.228CC..Hα-helixtrans-58.9-45.2175164.50000110.6Y19 I22 E68 I69 N75 D76Y19-V72 HydrophobicContact CD1-CG2 3.73Å; Y19-V72 HydrophobicContact CG-CG2 4.32Å; I22-V72 HydrophobicContact CB-CG2 3.96Å; I22-V72 HydrophobicContact CG2-CG2 3.82Å; E68-V72 WeakPolarHBondContact O-CB 3.46Å; E68-V72 WeakPolarHBondContact O-CG2 3.47Å; E68-V72 PolarHBondContact O-N 3.48Å; I69-V72 PolarHBondContact O-N 3.19Å; V72-N75 PolarHBondContact O-N 2.8Å; V72-D76 WeakPolarHBondContact O-CA 3.49Å; V72-D76 VanDerWaalsContact O-CB 3.24Å; V72-D76 WeakPolarHBondContact O-CB 3.43Å; V72-D76 PolarHBondContact O-N 2.88Å
73V90Very high87.6Confident14 Ų1443.6 Ų43.69%0.08523%0.225CC..Hα-helixtrans-66.6-43.5-179.9172.60000111.8L26 I69 I70 D71 N75 F81 V83 V88L26-V73 HydrophobicContact CD2-CG2 3.96Å; I69-V73 HydrophobicContact CG2-CG2 4.44Å; I69-V73 VanDerWaalsContact O-CG2 3.27Å; I69-V73 WeakPolarHBondContact O-CG2 3.27Å; I69-V73 PolarHBondContact O-N 3.37Å; I70-V73 PolarHBondContact O-N 3.46Å; D71-V73 VanDerWaalsContact C-N 3.32Å; D71-V73 PolarHBondContact O-N 2.9Å; V73-N75 VanDerWaalsContact C-N 3.29Å; V73-N75 PolarHBondContact O-N 2.96Å; V73-F81 HydrophobicContact CB-CB 4.31Å; V73-F81 HydrophobicContact CG1-CB 3.83Å; V73-F81 HydrophobicContact CG2-CB 3.79Å; V73-F81 HydrophobicContact CG2-CD2 4.15Å; V73-F81 HydrophobicContact CG2-CG 4.21Å; V73-V83 HydrophobicContact CB-CB 4.43Å; V73-V83 HydrophobicContact CB-CG1 4.46Å; V73-V83 HydrophobicContact CG1-CB 3.78Å; V73-V83 HydrophobicContact CG1-CG1 3.73Å; V73-V88 HydrophobicContact CG2-CG2 3.74Å
74H82.9Confident87.4Confident105 Ų10542.1 Ų42.149%0.48621%0.214SC..Hα-helixtrans-69.1-29.1179.6-70.9149000113I70 D71 W109I70-H74 WeakPolarHBondContact CG2-CE1 3.4Å; I70-H74 VanDerWaalsContact CG2-ND1 3.35Å; I70-H74 WeakPolarHBondContact CG2-ND1 3.27Å; I70-H74 WeakPolarHBondContact O-CB 3.49Å; I70-H74 PolarHBondContact O-N 2.95Å; I70-H74 PolarHBondContact O-ND1 3.4Å; D71-H74 PolarHBondContact O-N 3.47Å; H74-W109 PolarHBondContact O-NE1 3.38Å
75N78.2Confident87.1Confident47 Ų4744.5 Ų44.525%0.25124%0.24SC..Hα-helixtrans-103.63.9-177.7-60.9-60.7000114.2D71 V72 V73 A77 W109 N117D71-N75 VanDerWaalsContact O-CB 3.23Å; D71-N75 WeakPolarHBondContact O-CB 3.26Å; D71-N75 PolarHBondContact O-N 3.43Å; D71-N75 PolarHBondContact O-ND2 3.09Å; V72-N75 PolarHBondContact O-N 2.8Å; V73-N75 VanDerWaalsContact C-N 3.29Å; V73-N75 PolarHBondContact O-N 2.96Å; N75-A77 PolarHBondContact O-N 3.15Å; N75-W109 HydrophobicContact CB-CZ2 4.39Å; N75-N117 VanDerWaalsContact CG-ND2 3.31Å; N75-N117 PolarHBondContact OD1-ND2 3.35Å
76D83.3Confident87Confident14 Ų1443.7 Ų43.78%0.07524%0.237CC..  trans-70.996.3175.5-17853.5000110.2V72 L78 L79 R80 F81V72-D76 WeakPolarHBondContact O-CA 3.49Å; V72-D76 VanDerWaalsContact O-CB 3.24Å; V72-D76 WeakPolarHBondContact O-CB 3.43Å; V72-D76 PolarHBondContact O-N 2.88Å; D76-L78 PolarHBondContact O-N 3Å; D76-L78 VanDerWaalsContact O-N 3.15Å; D76-L79 WeakPolarHBondContact O-CA 3.48Å; D76-L79 PolarHBondContact O-N 3.33Å; D76-L79 PolarHBondContact OD2-N 3.22Å; D76-L79 VanDerWaalsContact OD2-N 3.09Å; D76-R80 IonicContact OD1-CZ 2.71Å; D76-R80 IonicContact OD1-NE 2.76Å; D76-R80 PolarHBondContact OD1-NE 2.73Å; D76-R80 IonicContact OD1-NH2 3.63Å; D76-R80 PolarHBondContact OD1-NH2 3.41Å; D76-R80 VanDerWaalsContact OD2-CB 3.27Å; D76-R80 WeakPolarHBondContact OD2-CB 3.27Å; D76-R80 WeakPolarHBondContact OD2-CG 3.47Å; D76-R80 PolarHBondContact OD2-N 3.03Å; D76-R80 IonicContact OD2-NE 3.96Å; D76-R80 PolarHBondContact OD2-NE 2.63Å; D76-F81 HydrophobicContact CB-CD2 4.14Å; D76-F81 HydrophobicContact CB-CE2 4.39Å
77A74.1Confident87.1Confident14 Ų1443.2 Ų43.212%0.11624%0.236CC..THydrogen-bonded Turntrans-68-12.9-179.200000113.6N75 L79 W109 P138N75-A77 PolarHBondContact O-N 3.15Å; A77-L79 VanDerWaalsContact C-N 3.26Å; A77-W109 HydrophobicContact CB-CE3 3.89Å; A77-W109 HydrophobicContact CB-CH2 3.86Å; A77-W109 HydrophobicContact CB-CZ3 3.5Å; A77-P138 HydrophobicContact CB-CB 3.86Å; A77-P138 HydrophobicContact CB-CG 3.22Å
78L79.4Confident87.4Confident73 Ų7337.9 Ų37.938%0.38221%0.208SC..THydrogen-bonded Turntrans-78-11.8168-63.3179.9000112.9D76 R80 P138D76-L78 PolarHBondContact O-N 3Å; D76-L78 VanDerWaalsContact O-N 3.15Å; L78-R80 HydrophobicContact CB-CG 3.81Å; L78-R80 PolarHBondContact O-N 3.42Å; L78-P138 HydrophobicContact CD2-CB 4.25Å
79L79.8Confident87.6Confident31 Ų3138.5 Ų38.516%0.16221%0.209CC..  trans54.934178.9-57.2175.3000113.3D76 A77 F81 K91 K105 K106 W109D76-L79 WeakPolarHBondContact O-CA 3.48Å; D76-L79 PolarHBondContact O-N 3.33Å; D76-L79 PolarHBondContact OD2-N 3.22Å; D76-L79 VanDerWaalsContact OD2-N 3.09Å; A77-L79 VanDerWaalsContact C-N 3.26Å; L79-F81 VanDerWaalsContact C-N 3.33Å; L79-F81 PolarHBondContact O-N 3.31Å; L79-K91 WeakPolarHBondContact O-CD 3.35Å; L79-K91 PolarHBondContact O-NZ 3.5Å; L79-K105 HydrophobicContact CD1-CB 3.57Å; L79-K106 HydrophobicContact CD1-CG 4.24Å; L79-W109 HydrophobicContact CD2-CB 4.35Å; L79-W109 HydrophobicContact CD2-CG 4.31Å
80R87.7Confident87.5Confident28 Ų2840.9 Ų40.911%0.10622%0.222CC..  trans-64.2-36.2-178.9-64.7174.2-73.5-178.1-4.8112.4G23 N24 E27 D76 L78 L90 K91G23-R80 PolarHBondContact O-NH1 3.38Å; N24-R80 PolarHBondContact OD1-NH1 3.25Å; E27-R80 WeakPolarHBondContact OE2-CD 3.08Å; E27-R80 IonicContact OE2-CZ 3.13Å; E27-R80 IonicContact OE2-NE 3.78Å; E27-R80 IonicContact OE2-NH1 2.74Å; E27-R80 PolarHBondContact OE2-NH1 3.38Å; D76-R80 IonicContact OD1-CZ 2.71Å; D76-R80 IonicContact OD1-NE 2.76Å; D76-R80 PolarHBondContact OD1-NE 2.73Å; D76-R80 IonicContact OD1-NH2 3.63Å; D76-R80 PolarHBondContact OD1-NH2 3.41Å; D76-R80 VanDerWaalsContact OD2-CB 3.27Å; D76-R80 WeakPolarHBondContact OD2-CB 3.27Å; D76-R80 WeakPolarHBondContact OD2-CG 3.47Å; D76-R80 PolarHBondContact OD2-N 3.03Å; D76-R80 IonicContact OD2-NE 3.96Å; D76-R80 PolarHBondContact OD2-NE 2.63Å; L78-R80 HydrophobicContact CB-CG 3.81Å; L78-R80 PolarHBondContact O-N 3.42Å; R80-L90 HydrophobicContact CB-CD1 4.2Å; R80-K91 WeakPolarHBondContact O-CB 3.49Å; R80-K91 PolarHBondContact O-N 3.33Å
81F92.7Very high87.4Confident5 Ų542.3 Ų42.32%0.02223%0.227CC..EExtended strand (participates in β ladder)trans-108.5158.1-167.3-45.7-60.5000113.3G23 L26 E27 L30 V73 D76 L79 V88 R89 L90 K91G23-F81 VanDerWaalsContact O-CZ 3.26Å; G23-F81 WeakPolarHBondContact O-CZ 3.45Å; L26-F81 HydrophobicContact CB-CE1 4.45Å; L26-F81 HydrophobicContact CB-CZ 4.2Å; L26-F81 HydrophobicContact CD2-CD1 4.21Å; L26-F81 HydrophobicContact CD2-CD2 4.06Å; L26-F81 HydrophobicContact CD2-CE1 4.27Å; L26-F81 HydrophobicContact CD2-CE2 4.11Å; L26-F81 HydrophobicContact CD2-CG 4.12Å; L26-F81 HydrophobicContact CD2-CZ 4.22Å; L26-F81 HydrophobicContact CG-CD1 4.34Å; L26-F81 HydrophobicContact CG-CE1 4.08Å; L26-F81 HydrophobicContact CG-CZ 4.21Å; E27-F81 HydrophobicContact CB-CE1 3.99Å; E27-F81 HydrophobicContact CB-CZ 3.9Å; L30-F81 HydrophobicContact CD1-CD1 3.56Å; L30-F81 HydrophobicContact CD1-CE1 3.84Å; V73-F81 HydrophobicContact CB-CB 4.31Å; V73-F81 HydrophobicContact CG1-CB 3.83Å; V73-F81 HydrophobicContact CG2-CB 3.79Å; V73-F81 HydrophobicContact CG2-CD2 4.15Å; V73-F81 HydrophobicContact CG2-CG 4.21Å; D76-F81 HydrophobicContact CB-CD2 4.14Å; D76-F81 HydrophobicContact CB-CE2 4.39Å; L79-F81 VanDerWaalsContact C-N 3.33Å; L79-F81 PolarHBondContact O-N 3.31Å; F81-V88 HydrophobicContact CB-CG2 4.19Å; F81-R89 WeakPolarHBondContact CA-O 3.47Å; F81-L90 HydrophobicContact CD1-CD1 4.12Å; F81-L90 HydrophobicContact CE1-CD1 4Å; F81-K91 WeakPolarHBondContact O-CE 3.35Å; F81-K91 PolarHBondContact O-NZ 2.89Å
82S91.3Very high87.2Confident25 Ų2541.1 Ų41.118%0.17522%0.223CC..EExtended strand (participates in β ladder)trans-128.7122.9168.8174.90000108.4Y47 V88 R89Y47-S82 PolarHBondContact OH-OG 3.03Å; S82-V88 CarbonylContact O-C 3.57Å; S82-V88 WeakPolarHBondContact O-CA 3.45Å; S82-R89 PolarHBondContact N-O 3.36Å; S82-R89 PolarHBondContact O-N 3.32Å
83V91.7Very high86.3Confident31 Ų3145.7 Ų45.719%0.18825%0.252CS..EExtended strand (participates in β ladder)trans-105.6143.4172.4680000110.8I50 I70 V73 K87I50-V83 HydrophobicContact CD1-CG2 4.06Å; I70-V83 HydrophobicContact CD1-CG2 3.6Å; V73-V83 HydrophobicContact CB-CB 4.43Å; V73-V83 HydrophobicContact CB-CG1 4.46Å; V73-V83 HydrophobicContact CG1-CB 3.78Å; V73-V83 HydrophobicContact CG1-CG1 3.73Å; V83-K87 CarbonylContact C-O 3.56Å; V83-K87 WeakPolarHBondContact CA-O 3.41Å; V83-K87 WeakPolarHBondContact CG2-O 3.27Å
84R86.3Confident85.1Confident119 Ų11951 Ų5145%0.44928%0.276SS..EExtended strand (participates in β ladder)trans-144.5107.1172.5-71.6-168.8180-174.81.9109.3Y47 S86 K87Y47-R84 HydrophobicContact CE1-CB 4.28Å; Y47-R84 HydrophobicContact CE1-CG 4.35Å; Y47-R84 VanDerWaalsContact OH-CD 3.32Å; Y47-R84 WeakPolarHBondContact OH-CD 3.37Å; Y47-R84 WeakPolarHBondContact OH-CG 3.42Å; Y47-R84 PolarHBondContact OH-NE 2.91Å; R84-S86 PolarHBondContact O-N 3.26Å; R84-K87 HydrophobicContact CB-CG 4.44Å; R84-K87 PolarHBondContact N-O 3.2Å; R84-K87 WeakPolarHBondContact O-CG 3.28Å; R84-K87 PolarHBondContact O-N 3.15Å
85G84.5Confident84.3Confident62 Ų6250.1 Ų50.164%0.63928%0.275SS*.THydrogen-bonded Turntrans58.3-129.4-173.800000110.2Y66 K87Y66-G85 PolarHBondContact OH-O 2.92Å; G85-K87 VanDerWaalsContact C-N 3.28Å; G85-K87 PolarHBondContact O-N 3.35Å
86S91.8Very high83.8Confident54 Ų5449.9 Ų49.938%0.37827%0.274SS..THydrogen-bonded Turntrans-82.58.5-178.857.10000115.9I50 Y66 R84I50-S86 PolarHBondContact N-O 3.41Å; Y66-S86 VanDerWaalsContact OH-CA 3.27Å; Y66-S86 WeakPolarHBondContact OH-CA 3.48Å; R84-S86 PolarHBondContact O-N 3.26Å
87K94.8Very high83.3Confident56 Ų5657 Ų5724%0.24330%0.304CS..EExtended strand (participates in β ladder)trans-124.8144-17659.4179.2-176.8-177.30114L43 Y47 F48 V83 R84 G85L43-K87 HydrophobicContact CD1-CB 4.07Å; L43-K87 HydrophobicContact CD1-CD 4.12Å; Y47-K87 HydrophobicContact CD1-CB 3.84Å; Y47-K87 HydrophobicContact CD1-CD 3.84Å; Y47-K87 HydrophobicContact CD1-CG 3.59Å; Y47-K87 HydrophobicContact CD2-CD 4.29Å; Y47-K87 HydrophobicContact CE1-CG 4.16Å; Y47-K87 HydrophobicContact CG-CB 4.3Å; Y47-K87 HydrophobicContact CG-CD 3.71Å; Y47-K87 HydrophobicContact CG-CG 4.02Å; F48-K87 CarbonylContact O-C 3.54Å; F48-K87 WeakPolarHBondContact O-CA 3.42Å; F48-K87 WeakPolarHBondContact O-CB 3.21Å; V83-K87 CarbonylContact C-O 3.56Å; V83-K87 WeakPolarHBondContact CA-O 3.41Å; V83-K87 WeakPolarHBondContact CG2-O 3.27Å; R84-K87 HydrophobicContact CB-CG 4.44Å; R84-K87 PolarHBondContact N-O 3.2Å; R84-K87 WeakPolarHBondContact O-CG 3.28Å; R84-K87 PolarHBondContact O-N 3.15Å; G85-K87 VanDerWaalsContact C-N 3.28Å; G85-K87 PolarHBondContact O-N 3.35Å
88V96.3Very high83.8Confident0 Ų060.3 Ų60.30%032%0.319CS..EExtended strand (participates in β ladder)trans-127148.4179.665.10000111.1L26 L30 Y47 F48 I50 I53 V73 F81 S82L26-V88 HydrophobicContact CD1-CG1 4.27Å; L26-V88 HydrophobicContact CD2-CG2 4.35Å; L30-V88 HydrophobicContact CD1-CG2 4.4Å; Y47-V88 WeakPolarHBondContact CA-O 3.39Å; F48-V88 PolarHBondContact N-O 3.46Å; F48-V88 PolarHBondContact O-N 2.83Å; I50-V88 HydrophobicContact CD1-CB 4.46Å; I50-V88 HydrophobicContact CG1-CB 4.14Å; I50-V88 HydrophobicContact CG1-CG1 3.86Å; I53-V88 HydrophobicContact CD1-CG1 3.45Å; I53-V88 VanDerWaalsContact CD1-CG1 3.45Å; V73-V88 HydrophobicContact CG2-CG2 3.74Å; F81-V88 HydrophobicContact CB-CG2 4.19Å; S82-V88 CarbonylContact O-C 3.57Å; S82-V88 WeakPolarHBondContact O-CA 3.45Å
89R94.2Very high84Confident37 Ų3761.1 Ų61.114%0.1433%0.329CS..EExtended strand (participates in β ladder)trans-141.7162.6171.468.6173.8179.9-179.13.5112.2D45 G46 Y47 F81 S82D45-R89 WeakPolarHBondContact O-CD 3.36Å; D45-R89 PolarHBondContact O-NH1 3.24Å; G46-R89 WeakPolarHBondContact O-CB 3.17Å; Y47-R89 HydrophobicContact CD1-CB 3.85Å; Y47-R89 HydrophobicContact CD1-CG 3.96Å; Y47-R89 HydrophobicContact CD2-CG 4.39Å; Y47-R89 HydrophobicContact CE1-CB 4.07Å; Y47-R89 HydrophobicContact CE1-CG 3.65Å; Y47-R89 VanDerWaalsContact CE2-CD 3.47Å; Y47-R89 HydrophobicContact CE2-CG 4.11Å; Y47-R89 HydrophobicContact CG-CB 4.08Å; Y47-R89 HydrophobicContact CG-CG 4.32Å; Y47-R89 PolarHBondContact OH-NE 3.3Å; F81-R89 WeakPolarHBondContact CA-O 3.47Å; S82-R89 PolarHBondContact N-O 3.36Å; S82-R89 PolarHBondContact O-N 3.32Å
90L92.8Very high84.4Confident50 Ų5061.2 Ų61.226%0.26233%0.33SS..EExtended strand (participates in β ladder)trans-72137.3163-166.269.3000108.8E27 L30 K31 R80 F81 P92E27-L90 HydrophobicContact CG-CD1 4.38Å; L30-L90 HydrophobicContact CB-CB 4.03Å; L30-L90 HydrophobicContact CD1-CB 4.49Å; K31-L90 HydrophobicContact CG-CD2 3.91Å; R80-L90 HydrophobicContact CB-CD1 4.2Å; F81-L90 HydrophobicContact CD1-CD1 4.12Å; F81-L90 HydrophobicContact CE1-CD1 4Å; L90-P92 WeakPolarHBondContact O-CD 3.31Å
91K88Confident84.3Confident55 Ų5563 Ų6324%0.23934%0.343CS..PPolyproline II helixtrans-67.7127.3173.8-71.1-163.4-174.6107.40108.9L79 R80 F81L79-K91 WeakPolarHBondContact O-CD 3.35Å; L79-K91 PolarHBondContact O-NZ 3.5Å; R80-K91 WeakPolarHBondContact O-CB 3.49Å; R80-K91 PolarHBondContact O-N 3.33Å; F81-K91 WeakPolarHBondContact O-CE 3.35Å; F81-K91 PolarHBondContact O-NZ 2.89Å
92P81.3Confident83.9Confident40 Ų4064.9 Ų64.926%0.2635%0.353SS..PPolyproline II helixtrans-57.4142.7177.314.4-26.7000111.4L90 E94 L95L90-P92 WeakPolarHBondContact O-CD 3.31Å; P92-E94 WeakPolarHBondContact CB-OE2 3.36Å; P92-E94 PolarHBondContact O-N 3.44Å; P92-E94 VanDerWaalsContact O-N 3.1Å; P92-L95 HydrophobicContact CG-CD1 3.58Å; P92-L95 HydrophobicContact CG-CG 4.02Å; P92-L95 PolarHBondContact O-N 2.95Å; P92-L95 VanDerWaalsContact O-N 3.08Å
93P70.4Confident83.9Confident99 Ų9964.1 Ų64.164%0.64335%0.348SS*.G310 helixtrans-53.5-32.2179.3-2533.9000112.9L95 N96P93-L95 PolarHBondContact O-N 3.22Å; P93-N96 CarbonylContact O-C 3.6Å; P93-N96 PolarHBondContact O-N 3.15Å; P93-N96 VanDerWaalsContact O-N 3.08Å
94E66.4Low83.9Confident126 Ų12663.6 Ų63.659%0.58935%0.345SS*.G310 helixtrans-62.2-27.9-178.4-59.371.7-149.800113.2P92 N96P92-E94 WeakPolarHBondContact CB-OE2 3.36Å; P92-E94 PolarHBondContact O-N 3.44Å; P92-E94 VanDerWaalsContact O-N 3.1Å; E94-N96 PolarHBondContact O-N 3.43Å
95L66Low84Confident87 Ų8761.6 Ų61.646%0.45534%0.34SS..G310 helixtrans-72.1-12.8178.4-78.4169.6000113.5P92 P93 K105P92-L95 HydrophobicContact CG-CD1 3.58Å; P92-L95 HydrophobicContact CG-CG 4.02Å; P92-L95 PolarHBondContact O-N 2.95Å; P92-L95 VanDerWaalsContact O-N 3.08Å; P93-L95 PolarHBondContact O-N 3.22Å; L95-K105 PolarHBondContact O-NZ 3.45Å
96N67.5Low84.3Confident42 Ų4260.4 Ų60.423%0.22532%0.317CS..G310 helixtrans-136.541.5-168.2-72.1-18.6000111.2P93 E94 I102 K105P93-N96 CarbonylContact O-C 3.6Å; P93-N96 PolarHBondContact O-N 3.15Å; P93-N96 VanDerWaalsContact O-N 3.08Å; E94-N96 PolarHBondContact O-N 3.43Å; N96-I102 HydrophobicContact CB-CD1 3.95Å; N96-I102 HydrophobicContact CB-CG1 3.81Å; N96-I102 WeakPolarHBondContact O-CD1 3.46Å; N96-K105 PolarHBondContact OD1-NZ 2.94Å
97K71.9Confident84.4Confident164 Ų16457.8 Ų57.871%0.71330%0.299SS*.  trans-77-39.8177.7-70-172.4176.2-176.70113.2P99K97-P99 WeakPolarHBondContact O-CD 3.13Å
98D84Confident84.3Confident82 Ų8256 Ų5644%0.43930%0.295SS..  trans-84.7117-176.4-177.4-20.8000110.7D100 V101 I102D98-D100 VanDerWaalsContact C-N 3.25Å; D98-D100 PolarHBondContact O-N 3.26Å; D98-D100 WeakPolarHBondContact OD1-CB 3.39Å; D98-D100 PolarHBondContact OD1-N 3.31Å; D98-V101 HydrophobicContact CB-CB 3.95Å; D98-V101 HydrophobicContact CB-CG2 3.76Å; D98-V101 PolarHBondContact O-N 3.19Å; D98-I102 WeakPolarHBondContact O-CG1 3.08Å; D98-I102 PolarHBondContact O-N 3.35Å
99P85Confident84.1Confident90 Ų9057.3 Ų57.358%0.58430%0.299SS*.Hα-helixtrans-55.5-36.6178.6-2535.1000113.9K97 I102 L103K97-P99 WeakPolarHBondContact O-CD 3.13Å; P99-I102 PolarHBondContact O-N 3.26Å; P99-L103 WeakPolarHBondContact O-CB 3.44Å; P99-L103 PolarHBondContact O-N 2.87Å
100D88.2Confident84Confident33 Ų3355.5 Ų55.518%0.17629%0.293CS..Hα-helixtrans-73.6-35.2-178.5-79.25.9000110.7D98 L103 S104 R149 V150D98-D100 VanDerWaalsContact C-N 3.25Å; D98-D100 PolarHBondContact O-N 3.26Å; D98-D100 WeakPolarHBondContact OD1-CB 3.39Å; D98-D100 PolarHBondContact OD1-N 3.31Å; D100-L103 PolarHBondContact O-N 2.92Å; D100-S104 WeakPolarHBondContact O-CB 3.4Å; D100-S104 PolarHBondContact O-N 3.39Å; D100-R149 IonicContact OD1-CZ 3.23Å; D100-R149 IonicContact OD1-NE 2.98Å; D100-R149 PolarHBondContact OD1-NE 2.86Å; D100-R149 VanDerWaalsContact OD1-NE 3.15Å; D100-R149 IonicContact OD1-NH2 3.35Å; D100-R149 PolarHBondContact OD1-NH2 2.88Å; D100-R149 WeakPolarHBondContact OD2-CD 3.47Å; D100-R149 IonicContact OD2-CZ 2.65Å; D100-R149 IonicContact OD2-NE 3.22Å; D100-R149 PolarHBondContact OD2-NE 3.07Å; D100-R149 IonicContact OD2-NH2 3.65Å; D100-V150 HydrophobicContact CB-CG2 3.74Å
101V84.8Confident84.2Confident65 Ų6553.1 Ų53.139%0.39428%0.28SS..Hα-helixtrans-65.1-40.4171.3174.10000111D98 K105D98-V101 HydrophobicContact CB-CB 3.95Å; D98-V101 HydrophobicContact CB-CG2 3.76Å; D98-V101 PolarHBondContact O-N 3.19Å; V101-K105 HydrophobicContact CG1-CD 4.45Å; V101-K105 WeakPolarHBondContact O-CG 3.49Å; V101-K105 PolarHBondContact O-N 2.94Å
102I85.4Confident84.5Confident45 Ų4551.1 Ų51.123%0.23127%0.271CS..Hα-helixtrans-63.8-50.5176.2-63.3164.6000110.2N96 D98 P99 S104 K105 K106N96-I102 HydrophobicContact CB-CD1 3.95Å; N96-I102 HydrophobicContact CB-CG1 3.81Å; N96-I102 WeakPolarHBondContact O-CD1 3.46Å; D98-I102 WeakPolarHBondContact O-CG1 3.08Å; D98-I102 PolarHBondContact O-N 3.35Å; P99-I102 PolarHBondContact O-N 3.26Å; I102-S104 VanDerWaalsContact C-N 3.32Å; I102-S104 PolarHBondContact O-N 3.33Å; I102-K105 WeakPolarHBondContact O-CB 3.48Å; I102-K105 PolarHBondContact O-N 2.86Å; I102-K105 VanDerWaalsContact O-N 3.11Å; I102-K106 HydrophobicContact CG2-CD 4.35Å; I102-K106 WeakPolarHBondContact O-CG 3.45Å; I102-K106 PolarHBondContact O-N 2.79Å
103L91.1Very high84.9Confident10 Ų1051.7 Ų51.75%0.05227%0.27CS..Hα-helixtrans-60.1-43.4178.4176.455.7000110.9P99 D100 K105 K106 L107 F139 V142 D146 I147 V150P99-L103 WeakPolarHBondContact O-CB 3.44Å; P99-L103 PolarHBondContact O-N 2.87Å; D100-L103 PolarHBondContact O-N 2.92Å; L103-K105 VanDerWaalsContact C-N 3.3Å; L103-K105 PolarHBondContact O-N 2.8Å; L103-K106 WeakPolarHBondContact O-CB 3.5Å; L103-K106 PolarHBondContact O-N 3.46Å; L103-K106 VanDerWaalsContact O-N 3.14Å; L103-L107 HydrophobicContact CD1-CD1 4.35Å; L103-L107 HydrophobicContact CD1-CG 4.15Å; L103-L107 HydrophobicContact CG-CD1 4.2Å; L103-L107 HydrophobicContact CG-CG 4.46Å; L103-L107 WeakPolarHBondContact O-CB 3.28Å; L103-L107 WeakPolarHBondContact O-CG 3.43Å; L103-L107 PolarHBondContact O-N 3.36Å; L103-F139 HydrophobicContact CD1-CD1 3.84Å; L103-F139 HydrophobicContact CD1-CE1 3.69Å; L103-V142 HydrophobicContact CD1-CG1 3.86Å; L103-V142 HydrophobicContact CD1-CG2 4.05Å; L103-V142 HydrophobicContact CD2-CG1 3.77Å; L103-D146 HydrophobicContact CD2-CB 3.73Å; L103-I147 HydrophobicContact CD2-CG1 4.45Å; L103-V150 HydrophobicContact CB-CG2 4.1Å; L103-V150 HydrophobicContact CD2-CB 4.39Å; L103-V150 HydrophobicContact CD2-CG2 3.75Å; L103-V150 HydrophobicContact CG-CG2 3.99Å
104S90.9Very high85.7Confident20 Ų2047 Ų4714%0.1424%0.24CC..Hα-helixtrans-59.5-38.8174.9-170.20000112.2D100 I102 A108 Y159D100-S104 WeakPolarHBondContact O-CB 3.4Å; D100-S104 PolarHBondContact O-N 3.39Å; I102-S104 VanDerWaalsContact C-N 3.32Å; I102-S104 PolarHBondContact O-N 3.33Å; S104-A108 WeakPolarHBondContact O-CB 3.3Å; S104-A108 PolarHBondContact O-N 2.97Å; S104-Y159 PolarHBondContact O-OH 2.91Å; S104-Y159 PolarHBondContact OG-OH 2.84Å
105K88.2Confident86.9Confident76 Ų7641 Ų4133%0.3321%0.212SC..Hα-helixtrans-67.9-40.9174.2-71.1170.5-176.8169.50112.1L79 L95 N96 V101 I102 L103 A108 W109L79-K105 HydrophobicContact CD1-CB 3.57Å; L95-K105 PolarHBondContact O-NZ 3.45Å; N96-K105 PolarHBondContact OD1-NZ 2.94Å; V101-K105 HydrophobicContact CG1-CD 4.45Å; V101-K105 WeakPolarHBondContact O-CG 3.49Å; V101-K105 PolarHBondContact O-N 2.94Å; I102-K105 WeakPolarHBondContact O-CB 3.48Å; I102-K105 PolarHBondContact O-N 2.86Å; I102-K105 VanDerWaalsContact O-N 3.11Å; L103-K105 VanDerWaalsContact C-N 3.3Å; L103-K105 PolarHBondContact O-N 2.8Å; K105-A108 PolarHBondContact O-N 3.2Å; K105-W109 PolarHBondContact O-N 3Å
106K90.6Very high88.1Confident37 Ų3742 Ų4216%0.16121%0.214CC..Hα-helixtrans-61.9-45.4175.3-69.5177.6176.5179.30111.3L79 I102 L103 W109 I110 P138 F139L79-K106 HydrophobicContact CD1-CG 4.24Å; I102-K106 HydrophobicContact CG2-CD 4.35Å; I102-K106 WeakPolarHBondContact O-CG 3.45Å; I102-K106 PolarHBondContact O-N 2.79Å; L103-K106 WeakPolarHBondContact O-CB 3.5Å; L103-K106 PolarHBondContact O-N 3.46Å; L103-K106 VanDerWaalsContact O-N 3.14Å; K106-W109 PolarHBondContact O-N 2.84Å; K106-I110 PolarHBondContact O-N 3.26Å; K106-P138 WeakPolarHBondContact CD-O 3.26Å; K106-P138 WeakPolarHBondContact CE-O 3.2Å; K106-P138 PolarHBondContact NZ-O 3.25Å; K106-F139 HydrophobicContact CB-CE1 4.08Å; K106-F139 HydrophobicContact CB-CE2 4.41Å; K106-F139 HydrophobicContact CB-CZ 3.77Å
107L94.5Very high88.8Confident0 Ų043.3 Ų43.30%022%0.221CC..Hα-helixtrans-59.8-46.6173.6-73.6174.8000111.4L103 W109 I110 L111 F139 V150 Y159 I172L103-L107 HydrophobicContact CD1-CD1 4.35Å; L103-L107 HydrophobicContact CD1-CG 4.15Å; L103-L107 HydrophobicContact CG-CD1 4.2Å; L103-L107 HydrophobicContact CG-CG 4.46Å; L103-L107 WeakPolarHBondContact O-CB 3.28Å; L103-L107 WeakPolarHBondContact O-CG 3.43Å; L103-L107 PolarHBondContact O-N 3.36Å; L107-W109 VanDerWaalsContact C-N 3.27Å; L107-W109 PolarHBondContact O-N 3.4Å; L107-I110 WeakPolarHBondContact O-CG2 3.32Å; L107-I110 PolarHBondContact O-N 2.76Å; L107-L111 HydrophobicContact CB-CD1 4.15Å; L107-L111 HydrophobicContact CD2-CD1 4.49Å; L107-L111 WeakPolarHBondContact O-CB 3.38Å; L107-L111 WeakPolarHBondContact O-CD1 3.45Å; L107-L111 WeakPolarHBondContact O-CG 3.44Å; L107-L111 PolarHBondContact O-N 2.84Å; L107-F139 HydrophobicContact CD2-CE1 3.72Å; L107-F139 HydrophobicContact CD2-CZ 4.17Å; L107-F139 HydrophobicContact CG-CE1 4.1Å; L107-V150 HydrophobicContact CD1-CG1 3.89Å; L107-Y159 HydrophobicContact CB-CE1 4.48Å; L107-Y159 HydrophobicContact CB-CE2 4.09Å; L107-Y159 HydrophobicContact CD1-CD2 4.34Å; L107-Y159 HydrophobicContact CD1-CE2 4.25Å; L107-I172 HydrophobicContact CD1-CD1 4.35Å; L107-I172 HydrophobicContact CD2-CD1 4.28Å
108A92.5Very high89.4Confident19 Ų1937.4 Ų37.416%0.15720%0.199CC..Hα-helixtrans-57.4-42.2176.300000112.1S104 K105 R112 Y159S104-A108 WeakPolarHBondContact O-CB 3.3Å; S104-A108 PolarHBondContact O-N 2.97Å; K105-A108 PolarHBondContact O-N 3.2Å; A108-R112 WeakPolarHBondContact O-CB 3.41Å; A108-R112 WeakPolarHBondContact O-CD 3.26Å; A108-R112 VanDerWaalsContact O-CG 3.26Å; A108-R112 WeakPolarHBondContact O-CG 3.45Å; A108-R112 PolarHBondContact O-N 3.23Å; A108-Y159 WeakPolarHBondContact CB-OH 3.31Å; A108-Y159 PolarHBondContact N-OH 3.4Å
109W91.9Very high89.6Confident26 Ų2636.1 Ų36.110%0.09821%0.205CC..Hα-helixtrans-65-53.4179.2178.587.4000111.5H74 N75 A77 L79 K105 K106 L107 L111 R112 H113 G114 V118H74-W109 PolarHBondContact O-NE1 3.38Å; N75-W109 HydrophobicContact CB-CZ2 4.39Å; A77-W109 HydrophobicContact CB-CE3 3.89Å; A77-W109 HydrophobicContact CB-CH2 3.86Å; A77-W109 HydrophobicContact CB-CZ3 3.5Å; L79-W109 HydrophobicContact CD2-CB 4.35Å; L79-W109 HydrophobicContact CD2-CG 4.31Å; K105-W109 PolarHBondContact O-N 3Å; K106-W109 PolarHBondContact O-N 2.84Å; L107-W109 VanDerWaalsContact C-N 3.27Å; L107-W109 PolarHBondContact O-N 3.4Å; W109-L111 PolarHBondContact O-N 2.82Å; W109-R112 PolarHBondContact O-N 3.43Å; W109-H113 PolarHBondContact O-N 2.98Å; W109-G114 PolarHBondContact O-N 3.29Å; W109-V118 HydrophobicContact CH2-CG1 4.42Å
110I93.4Very high89.9Confident0 Ų033.1 Ų33.10%018%0.183CC..Iπ-helixtrans-67.2-38.9-176.2-168.369.4000112K106 L107 R112 A115 V118 M120 Y122 L128 L136 F139K106-I110 PolarHBondContact O-N 3.26Å; L107-I110 WeakPolarHBondContact O-CG2 3.32Å; L107-I110 PolarHBondContact O-N 2.76Å; I110-R112 VanDerWaalsContact C-N 3.31Å; I110-R112 PolarHBondContact O-N 2.87Å; I110-A115 PolarHBondContact O-N 3.06Å; I110-V118 HydrophobicContact CD1-CG1 4.47Å; I110-V118 HydrophobicContact CD1-CG2 3.53Å; I110-M120 HydrophobicContact CD1-CE 3.63Å; I110-M120 HydrophobicContact CG1-CE 3.61Å; I110-Y122 PolarHBondContact O-OH 2.95Å; I110-L128 HydrophobicContact CG1-CD1 4.21Å; I110-L136 HydrophobicContact CD1-CD1 3.92Å; I110-L136 HydrophobicContact CG1-CD1 4.18Å; I110-F139 HydrophobicContact CB-CE2 4.47Å; I110-F139 HydrophobicContact CB-CZ 4.49Å; I110-F139 HydrophobicContact CG2-CE2 4.2Å; I110-F139 HydrophobicContact CG2-CZ 3.8Å
111L95.9Very high90.2Very high0 Ų039.9 Ų39.90%021%0.211CC..Iπ-helixtrans-75.9-17.5-176.3-64.8169.6000113.5L107 W109 Y122 L128 I133 Y159 I172 A174 H178L107-L111 HydrophobicContact CB-CD1 4.15Å; L107-L111 HydrophobicContact CD2-CD1 4.49Å; L107-L111 WeakPolarHBondContact O-CB 3.38Å; L107-L111 WeakPolarHBondContact O-CD1 3.45Å; L107-L111 WeakPolarHBondContact O-CG 3.44Å; L107-L111 PolarHBondContact O-N 2.84Å; W109-L111 PolarHBondContact O-N 2.82Å; L111-Y122 VanDerWaalsContact C-OH 3.27Å; L111-Y122 VanDerWaalsContact O-CE1 3.25Å; L111-Y122 WeakPolarHBondContact O-CE1 3.39Å; L111-Y122 PolarHBondContact O-OH 3.49Å; L111-Y122 VanDerWaalsContact O-OH 3.13Å; L111-L128 HydrophobicContact CD2-CB 4.27Å; L111-L128 HydrophobicContact CD2-CD1 3.89Å; L111-L128 HydrophobicContact CD2-CG 4.27Å; L111-I133 HydrophobicContact CD2-CD1 4.21Å; L111-Y159 HydrophobicContact CD1-CD1 3.66Å; L111-Y159 HydrophobicContact CD1-CE1 4.02Å; L111-Y159 HydrophobicContact CD1-CG 4.3Å; L111-I172 HydrophobicContact CD1-CD1 4.17Å; L111-I172 HydrophobicContact CD1-CG1 4.02Å; L111-I172 HydrophobicContact CD2-CG2 3.82Å; L111-I172 WeakPolarHBondContact CD2-O 3.32Å; L111-A174 HydrophobicContact CB-CB 3.9Å; L111-H178 PolarHBondContact O-CE1 2.87Å; L111-H178 PolarHBondContact O-ND1 2.76Å
112R94.6Very high90.8Very high13 Ų1338.5 Ų38.55%0.04920%0.199CC..Iπ-helixtrans-114.5-23-174.5-62.6171.9-176.9-144-11114.5A108 W109 I110 Y122 A174 Q176 G177 H178 T179A108-R112 WeakPolarHBondContact O-CB 3.41Å; A108-R112 WeakPolarHBondContact O-CD 3.26Å; A108-R112 VanDerWaalsContact O-CG 3.26Å; A108-R112 WeakPolarHBondContact O-CG 3.45Å; A108-R112 PolarHBondContact O-N 3.23Å; W109-R112 PolarHBondContact O-N 3.43Å; I110-R112 VanDerWaalsContact C-N 3.31Å; I110-R112 PolarHBondContact O-N 2.87Å; R112-Y122 PolarHBondContact N-OH 3.48Å; R112-A174 HydrophobicContact CG-CB 3.82Å; R112-Q176 WeakPolarHBondContact CD-O 3.48Å; R112-Q176 VanDerWaalsContact CZ-OE1 3.29Å; R112-Q176 PolarHBondContact NE-O 2.71Å; R112-Q176 PolarHBondContact NH1-O 3.19Å; R112-Q176 PolarHBondContact NH2-O 2.63Å; R112-G177 WeakPolarHBondContact CB-O 3.22Å; R112-H178 WeakPolarHBondContact CA-ND1 3.01Å; R112-H178 CarbonylContact O-C 3.54Å; R112-H178 VanDerWaalsContact O-CA 3.29Å; R112-H178 WeakPolarHBondContact O-CA 3.08Å; R112-T179 PolarHBondContact O-N 2.92Å; R112-T179 PolarHBondContact O-OG1 3.37Å
113H90.1Very high91.2Very high52 Ų5239.4 Ų39.424%0.24120%0.202CC..Iπ-helixtrans-140.7-51.5-166.7-46.9-51.8000111.6W109 A115 Y122 G177 T179W109-H113 PolarHBondContact O-N 2.98Å; H113-A115 PolarHBondContact O-N 2.86Å; H113-Y122 PolarHBondContact N-OH 2.94Å; H113-G177 PolarHBondContact CE1-O 2.96Å; H113-T179 WeakPolarHBondContact CE1-CG2 3.16Å; H113-T179 WeakPolarHBondContact ND1-CB 3.5Å; H113-T179 WeakPolarHBondContact ND1-CG2 3.22Å; H113-T179 PolarHBondContact ND1-N 3.33Å; H113-T179 PolarHBondContact ND1-OG1 2.77Å
114G87.7Confident91.4Very high0 Ų042.7 Ų42.70%022%0.224CC..Iπ-helixtrans-87-2.9-160.100000117.2W109 E116 N117 V118W109-G114 PolarHBondContact O-N 3.29Å; G114-E116 PolarHBondContact O-N 2.75Å; G114-N117 WeakPolarHBondContact O-CB 3.32Å; G114-N117 PolarHBondContact O-N 2.87Å; G114-V118 PolarHBondContact O-N 3.21Å
115A91.5Very high91.5Very high0 Ų042 Ų420%022%0.22CC..THydrogen-bonded Turntrans-58.5-48.7-171.800000112.7I110 H113 N117 V118 G119 M120 Y122 L128I110-A115 PolarHBondContact O-N 3.06Å; H113-A115 PolarHBondContact O-N 2.86Å; A115-N117 VanDerWaalsContact C-N 3.31Å; A115-N117 PolarHBondContact O-N 3.2Å; A115-V118 VanDerWaalsContact O-CG2 3.27Å; A115-V118 WeakPolarHBondContact O-CG2 3.19Å; A115-V118 PolarHBondContact O-N 3.37Å; A115-G119 PolarHBondContact O-N 2.79Å; A115-M120 CarbonylContact C-O 3.41Å; A115-M120 HydrophobicContact CB-CB 4.28Å; A115-M120 WeakPolarHBondContact O-CA 3.42Å; A115-M120 WeakPolarHBondContact O-CB 3.48Å; A115-M120 PolarHBondContact O-N 2.82Å; A115-Y122 HydrophobicContact CB-CD2 4.18Å; A115-Y122 HydrophobicContact CB-CE1 4.02Å; A115-Y122 HydrophobicContact CB-CE2 3.52Å; A115-Y122 VanDerWaalsContact CB-CZ 3.45Å; A115-L128 HydrophobicContact CB-CD1 3.75Å; A115-L128 HydrophobicContact CB-CD2 3.9Å; A115-L128 HydrophobicContact CB-CG 4.46Å
116E89.7Confident91.9Very high107 Ų10738.3 Ų38.350%0.520%0.204SC..G310 helixtrans-67.1-33.6-177.5-61.6-173.416400112.4G114 V118 G119 M120G114-E116 PolarHBondContact O-N 2.75Å; E116-V118 PolarHBondContact O-N 3.03Å; E116-G119 PolarHBondContact O-N 3.12Å; E116-M120 WeakPolarHBondContact CA-O 3.31Å
117N83.3Confident92.2Very high71 Ų7137.3 Ų37.338%0.3820%0.199SC..G310 helixtrans-63.5-29.4178.1-63.559.6000112.5N75 G114 A115N75-N117 VanDerWaalsContact CG-ND2 3.31Å; N75-N117 PolarHBondContact OD1-ND2 3.35Å; G114-N117 WeakPolarHBondContact O-CB 3.32Å; G114-N117 PolarHBondContact O-N 2.87Å; A115-N117 VanDerWaalsContact C-N 3.31Å; A115-N117 PolarHBondContact O-N 3.2Å
118V84.5Confident92.4Very high40 Ų4037.4 Ų37.424%0.24220%0.2CC..G310 helixtrans-101.215.3175-56.40000112.5W109 I110 G114 A115 E116 M120 L136W109-V118 HydrophobicContact CH2-CG1 4.42Å; I110-V118 HydrophobicContact CD1-CG1 4.47Å; I110-V118 HydrophobicContact CD1-CG2 3.53Å; G114-V118 PolarHBondContact O-N 3.21Å; A115-V118 VanDerWaalsContact O-CG2 3.27Å; A115-V118 WeakPolarHBondContact O-CG2 3.19Å; A115-V118 PolarHBondContact O-N 3.37Å; E116-V118 PolarHBondContact O-N 3.03Å; V118-M120 VanDerWaalsContact C-N 3.31Å; V118-M120 HydrophobicContact CG2-CE 3.64Å; V118-M120 HydrophobicContact CG2-CG 4.17Å; V118-M120 PolarHBondContact O-N 2.93Å; V118-L136 HydrophobicContact CB-CD2 3.99Å; V118-L136 HydrophobicContact CG2-CD1 3.99Å; V118-L136 HydrophobicContact CG2-CD2 3.99Å
119G87.1Confident92.6Very high55 Ų5538.4 Ų38.457%0.56720%0.2SC*.THydrogen-bonded Turntrans75.614.4174.600000115A115 E116A115-G119 PolarHBondContact O-N 2.79Å; E116-G119 PolarHBondContact O-N 3.12Å
120M93Very high92.9Very high27 Ų2737.3 Ų37.313%0.13320%0.196CC..  trans-89155.5171-65.2-168.7-62.200110.7I110 A115 E116 V118 L128 K132 I133 L136I110-M120 HydrophobicContact CD1-CE 3.63Å; I110-M120 HydrophobicContact CG1-CE 3.61Å; A115-M120 CarbonylContact C-O 3.41Å; A115-M120 HydrophobicContact CB-CB 4.28Å; A115-M120 WeakPolarHBondContact O-CA 3.42Å; A115-M120 WeakPolarHBondContact O-CB 3.48Å; A115-M120 PolarHBondContact O-N 2.82Å; E116-M120 WeakPolarHBondContact CA-O 3.31Å; V118-M120 VanDerWaalsContact C-N 3.31Å; V118-M120 HydrophobicContact CG2-CE 3.64Å; V118-M120 HydrophobicContact CG2-CG 4.17Å; V118-M120 PolarHBondContact O-N 2.93Å; M120-L128 HydrophobicContact CB-CD2 4.29Å; M120-L128 HydrophobicContact CE-CD1 4Å; M120-K132 HydrophobicContact SD-CB 3.76Å; M120-I133 HydrophobicContact CE-CG1 4.11Å; M120-I133 HydrophobicContact SD-CG1 4.4Å; M120-L136 HydrophobicContact CE-CD1 3.78Å
121K94.1Very high93.1Very high174 Ų17440.1 Ų40.176%0.75721%0.211SC*.  trans-116.5145.8172-66.2-174.6178-175.20108.8L128K121-L128 VanDerWaalsContact O-CD2 3.26Å; K121-L128 WeakPolarHBondContact O-CD2 3.27Å
122Y95.8Very high93.1Very high37 Ų3744.7 Ų44.715%0.14523%0.231CC..PPolyproline II helixtrans-73.2130.6171-68.7-78.5000109.9I110 L111 R112 H113 A115 L128 V180 I182I110-Y122 PolarHBondContact O-OH 2.95Å; L111-Y122 VanDerWaalsContact C-OH 3.27Å; L111-Y122 VanDerWaalsContact O-CE1 3.25Å; L111-Y122 WeakPolarHBondContact O-CE1 3.39Å; L111-Y122 PolarHBondContact O-OH 3.49Å; L111-Y122 VanDerWaalsContact O-OH 3.13Å; R112-Y122 PolarHBondContact N-OH 3.48Å; H113-Y122 PolarHBondContact N-OH 2.94Å; A115-Y122 HydrophobicContact CB-CD2 4.18Å; A115-Y122 HydrophobicContact CB-CE1 4.02Å; A115-Y122 HydrophobicContact CB-CE2 3.52Å; A115-Y122 VanDerWaalsContact CB-CZ 3.45Å; Y122-L128 HydrophobicContact CD1-CD1 4.46Å; Y122-L128 HydrophobicContact CD1-CD2 3.77Å; Y122-L128 HydrophobicContact CD1-CG 3.97Å; Y122-L128 HydrophobicContact CE1-CD1 4Å; Y122-L128 HydrophobicContact CE1-CD2 4.1Å; Y122-L128 HydrophobicContact CE1-CG 4Å; Y122-L128 HydrophobicContact CG-CD2 4.26Å; Y122-V180 HydrophobicContact CD2-CG2 4.1Å; Y122-V180 HydrophobicContact CE2-CG2 3.54Å; Y122-I182 HydrophobicContact CD1-CD1 3.72Å; Y122-I182 HydrophobicContact CD2-CD1 3.51Å; Y122-I182 HydrophobicContact CE1-CD1 4.07Å; Y122-I182 HydrophobicContact CE2-CD1 3.9Å; Y122-I182 HydrophobicContact CG-CD1 3.41Å; Y122-I182 VanDerWaalsContact CG-CD1 3.41Å
123E95.4Very high93.2Very high63 Ų6344 Ų4429%0.29423%0.228SC..BIsolated β-bridgetrans-76.1159.6163.7-62-64.6113.700109.7G125 G126 Y127 Y129E123-G125 PolarHBondContact O-N 3.13Å; E123-G126 WeakPolarHBondContact O-CA 3.25Å; E123-G126 PolarHBondContact O-N 2.79Å; E123-Y127 PolarHBondContact N-O 3.08Å; E123-Y127 PolarHBondContact O-N 3.4Å; E123-Y129 HydrophobicContact CG-CE2 4.01Å
124P93.8Very high93.5Very high80 Ų8043.8 Ų43.852%0.51923%0.229SC..THydrogen-bonded Turntrans-48.6135.3176.5-28.535.3000112.2G126 Y127P124-G126 VanDerWaalsContact C-N 3.33Å; P124-Y127 WeakPolarHBondContact O-CD2 3.37Å
125G94Very high93.7Very high4 Ų450.3 Ų50.34%0.04126%0.259CS..THydrogen-bonded Turntrans84.41.6-172.600000114.9E123 R173 E183 G184E123-G125 PolarHBondContact O-N 3.13Å; G125-R173 WeakPolarHBondContact O-CD 3.18Å; G125-R173 PolarHBondContact O-NH1 2.91Å; G125-E183 PolarHBondContact N-O 2.87Å; G125-G184 WeakPolarHBondContact CA-O 3.43Å
126G96Very high93.7Very high0 Ų051.8 Ų51.80%027%0.267CS..THydrogen-bonded Turntrans83.224.3176.900000113.7E123 P124 R173E123-G126 WeakPolarHBondContact O-CA 3.25Å; E123-G126 PolarHBondContact O-N 2.79Å; P124-G126 VanDerWaalsContact C-N 3.33Å; G126-R173 WeakPolarHBondContact O-CB 3.33Å
127Y97.5Very high93.6Very high16 Ų1652.5 Ų52.56%0.06327%0.268CS..EExtended strand (participates in β ladder)trans-81147.5179.6-72.7-79.7000112E123 P124 E160 R171 I172 R173E123-Y127 PolarHBondContact N-O 3.08Å; E123-Y127 PolarHBondContact O-N 3.4Å; P124-Y127 WeakPolarHBondContact O-CD2 3.37Å; Y127-E160 PolarHBondContact OH-OE2 3.34Å; Y127-R171 HydrophobicContact CD1-CB 4.05Å; Y127-R171 HydrophobicContact CD1-CG 3.61Å; Y127-R171 HydrophobicContact CE1-CG 4.17Å; Y127-R171 HydrophobicContact CG-CB 4.35Å; Y127-R171 HydrophobicContact CG-CG 3.95Å; Y127-I172 CarbonylContact C-O 3.48Å; Y127-I172 WeakPolarHBondContact CA-O 3.33Å; Y127-R173 HydrophobicContact CD1-CB 3.63Å; Y127-R173 HydrophobicContact CD1-CG 3.74Å; Y127-R173 HydrophobicContact CE1-CB 3.95Å; Y127-R173 HydrophobicContact CE1-CG 3.48Å; Y127-R173 VanDerWaalsContact CE1-CG 3.48Å; Y127-R173 HydrophobicContact CE2-CG 4.42Å; Y127-R173 HydrophobicContact CG-CB 3.97Å; Y127-R173 HydrophobicContact CG-CG 4.3Å; Y127-R173 VanDerWaalsContact CZ-CD 3.44Å; Y127-R173 VanDerWaalsContact CZ-NE 3.32Å; Y127-R173 PolarHBondContact OH-NE 3.23Å
128L98.1Very high93.7Very high2 Ų250 Ų501%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-127.6144.9167.6-62.3176.5000108.5I110 L111 A115 M120 K121 Y122 I133 R171 I172I110-L128 HydrophobicContact CG1-CD1 4.21Å; L111-L128 HydrophobicContact CD2-CB 4.27Å; L111-L128 HydrophobicContact CD2-CD1 3.89Å; L111-L128 HydrophobicContact CD2-CG 4.27Å; A115-L128 HydrophobicContact CB-CD1 3.75Å; A115-L128 HydrophobicContact CB-CD2 3.9Å; A115-L128 HydrophobicContact CB-CG 4.46Å; M120-L128 HydrophobicContact CB-CD2 4.29Å; M120-L128 HydrophobicContact CE-CD1 4Å; K121-L128 VanDerWaalsContact O-CD2 3.26Å; K121-L128 WeakPolarHBondContact O-CD2 3.27Å; Y122-L128 HydrophobicContact CD1-CD1 4.46Å; Y122-L128 HydrophobicContact CD1-CD2 3.77Å; Y122-L128 HydrophobicContact CD1-CG 3.97Å; Y122-L128 HydrophobicContact CE1-CD1 4Å; Y122-L128 HydrophobicContact CE1-CD2 4.1Å; Y122-L128 HydrophobicContact CE1-CG 4Å; Y122-L128 HydrophobicContact CG-CD2 4.26Å; L128-I133 HydrophobicContact CB-CD1 3.88Å; L128-I133 HydrophobicContact CB-CG1 4.39Å; L128-I133 HydrophobicContact CD1-CD1 4.47Å; L128-R171 CarbonylContact O-C 3.59Å; L128-R171 VanDerWaalsContact O-CA 3.28Å; L128-R171 WeakPolarHBondContact O-CA 3.38Å; L128-I172 PolarHBondContact N-O 3.29Å; L128-I172 PolarHBondContact O-N 3.22Å
129Y97.9Very high94Very high39 Ų3948.2 Ų48.215%0.15325%0.245CC..EExtended strand (participates in β ladder)trans-72.7135178.6-67.7-71.7000112E123 D131 K132 I133 N164 N167 L169 R171E123-Y129 HydrophobicContact CG-CE2 4.01Å; Y129-D131 WeakPolarHBondContact CB-OD1 3.01Å; Y129-K132 PolarHBondContact O-N 3.21Å; Y129-I133 PolarHBondContact O-N 3.5Å; Y129-I133 VanDerWaalsContact O-N 3.15Å; Y129-N164 HydrophobicContact CE1-CB 4.06Å; Y129-N164 PolarHBondContact OH-ND2 3.47Å; Y129-N167 PolarHBondContact OH-ND2 3.25Å; Y129-L169 HydrophobicContact CD1-CB 3.77Å; Y129-L169 HydrophobicContact CD1-CD1 4.38Å; Y129-L169 HydrophobicContact CE1-CB 3.75Å; Y129-L169 HydrophobicContact CE1-CD1 4.28Å; Y129-R171 HydrophobicContact CD1-CB 4.13Å; Y129-R171 HydrophobicContact CE1-CB 4.48Å
130V98.1Very high94.1Very high4 Ų453.3 Ų53.32%0.02425%0.254CS..Hα-helixtrans-67.9-39-174.5175.50000111.3K132 I133 L134 L144 I147 L161 L170 I172V130-K132 VanDerWaalsContact C-N 3.28Å; V130-K132 PolarHBondContact O-N 3.41Å; V130-I133 PolarHBondContact O-N 3.13Å; V130-L134 HydrophobicContact CG1-CD1 3.97Å; V130-L134 HydrophobicContact CG1-CG 4.22Å; V130-L134 WeakPolarHBondContact O-CG 3.29Å; V130-L134 PolarHBondContact O-N 3.42Å; V130-L144 HydrophobicContact CG1-CD1 3.99Å; V130-I147 HydrophobicContact CG1-CD1 3.77Å; V130-L161 HydrophobicContact CG2-CD2 3.84Å; V130-L170 HydrophobicContact CB-CB 4.48Å; V130-L170 HydrophobicContact CB-CD2 4.32Å; V130-L170 HydrophobicContact CB-CG 4.48Å; V130-L170 HydrophobicContact CG1-CD2 4.46Å; V130-L170 HydrophobicContact CG2-CB 4.41Å; V130-L170 HydrophobicContact CG2-CD2 4.05Å; V130-L170 HydrophobicContact CG2-CG 3.99Å; V130-L170 PolarHBondContact N-O 3.08Å; V130-I172 HydrophobicContact CG2-CB 4.03Å; V130-I172 HydrophobicContact CG2-CG2 3.85Å
131D96.2Very high94Very high58 Ų5855.5 Ų55.531%0.3128%0.284SS..Hα-helixtrans-58.8-40.3176.472.2-49.8000111.6Y129 L134 Q135Y129-D131 WeakPolarHBondContact CB-OD1 3.01Å; D131-L134 PolarHBondContact O-N 3.28Å; D131-Q135 VanDerWaalsContact O-CG 3.31Å; D131-Q135 WeakPolarHBondContact O-CG 3.25Å; D131-Q135 PolarHBondContact O-N 3.45Å; D131-Q135 PolarHBondContact O-NE2 3.1Å
132K96.3Very high94Very high96 Ų9648.6 Ų48.642%0.41726%0.256SS..Hα-helixtrans-68.3-41.4177.3-58.2-54.2179.1-163.90112M120 Y129 V130 L134 Q135M120-K132 HydrophobicContact SD-CB 3.76Å; Y129-K132 PolarHBondContact O-N 3.21Å; V130-K132 VanDerWaalsContact C-N 3.28Å; V130-K132 PolarHBondContact O-N 3.41Å; K132-L134 VanDerWaalsContact C-N 3.34Å; K132-L134 PolarHBondContact O-N 3.19Å; K132-Q135 PolarHBondContact O-N 2.9Å
133I96.6Very high94Very high0 Ų054.1 Ų54.10%028%0.277CS..Hα-helixtrans-61.1-45175.1-69.4167.7000110.6L111 M120 L128 Y129 V130 Q135 L136 F139 I172L111-I133 HydrophobicContact CD2-CD1 4.21Å; M120-I133 HydrophobicContact CE-CG1 4.11Å; M120-I133 HydrophobicContact SD-CG1 4.4Å; L128-I133 HydrophobicContact CB-CD1 3.88Å; L128-I133 HydrophobicContact CB-CG1 4.39Å; L128-I133 HydrophobicContact CD1-CD1 4.47Å; Y129-I133 PolarHBondContact O-N 3.5Å; Y129-I133 VanDerWaalsContact O-N 3.15Å; V130-I133 PolarHBondContact O-N 3.13Å; I133-Q135 PolarHBondContact O-N 3.01Å; I133-L136 VanDerWaalsContact O-CB 3.28Å; I133-L136 WeakPolarHBondContact O-CB 3.22Å; I133-L136 WeakPolarHBondContact O-CG 3.38Å; I133-L136 PolarHBondContact O-N 3.32Å; I133-F139 HydrophobicContact CG2-CD1 3.69Å; I133-F139 HydrophobicContact CG2-CD2 3.86Å; I133-F139 HydrophobicContact CG2-CE1 3.64Å; I133-F139 HydrophobicContact CG2-CE2 3.82Å; I133-F139 HydrophobicContact CG2-CG 3.8Å; I133-F139 HydrophobicContact CG2-CZ 3.71Å; I133-F139 WeakPolarHBondContact O-CB 3.45Å; I133-I172 HydrophobicContact CD1-CG2 3.46Å; I133-I172 VanDerWaalsContact CD1-CG2 3.46Å
134L96Very high94Very high47 Ų4754.4 Ų54.425%0.24628%0.28CS..Hα-helixtrans-66.2-20.9-178.7-70178.3000113.6V130 D131 K132 L136 V142 I147V130-L134 HydrophobicContact CG1-CD1 3.97Å; V130-L134 HydrophobicContact CG1-CG 4.22Å; V130-L134 WeakPolarHBondContact O-CG 3.29Å; V130-L134 PolarHBondContact O-N 3.42Å; D131-L134 PolarHBondContact O-N 3.28Å; K132-L134 VanDerWaalsContact C-N 3.34Å; K132-L134 PolarHBondContact O-N 3.19Å; L134-L136 VanDerWaalsContact C-N 3.29Å; L134-V142 HydrophobicContact CD2-CB 4Å; L134-V142 HydrophobicContact CD2-CG1 3.85Å; L134-V142 WeakPolarHBondContact CD2-O 3.14Å; L134-I147 HydrophobicContact CD2-CD1 3.59Å; L134-I147 HydrophobicContact CD2-CG1 4.48Å; L134-I147 HydrophobicContact CG-CD1 4.05Å
135Q93.7Very high94.1Very high137 Ų13755.1 Ų55.164%0.6428%0.276SS*.THydrogen-bonded Turntrans-77.5-14.1173.2-71.3165.625.500113.2D131 K132 I133D131-Q135 VanDerWaalsContact O-CG 3.31Å; D131-Q135 WeakPolarHBondContact O-CG 3.25Å; D131-Q135 PolarHBondContact O-N 3.45Å; D131-Q135 PolarHBondContact O-NE2 3.1Å; K132-Q135 PolarHBondContact O-N 2.9Å; I133-Q135 PolarHBondContact O-N 3.01Å
136L90.9Very high94.1Very high31 Ų3156.4 Ų56.416%0.16228%0.282CS..SBendtrans-75136.2-179.5-55.5174.3000110.3I110 V118 M120 I133 L134 P138 F139 Q140I110-L136 HydrophobicContact CD1-CD1 3.92Å; I110-L136 HydrophobicContact CG1-CD1 4.18Å; V118-L136 HydrophobicContact CB-CD2 3.99Å; V118-L136 HydrophobicContact CG2-CD1 3.99Å; V118-L136 HydrophobicContact CG2-CD2 3.99Å; M120-L136 HydrophobicContact CE-CD1 3.78Å; I133-L136 VanDerWaalsContact O-CB 3.28Å; I133-L136 WeakPolarHBondContact O-CB 3.22Å; I133-L136 WeakPolarHBondContact O-CG 3.38Å; I133-L136 PolarHBondContact O-N 3.32Å; L134-L136 VanDerWaalsContact C-N 3.29Å; L136-P138 VanDerWaalsContact C-N 3.3Å; L136-P138 WeakPolarHBondContact O-CD 3.26Å; L136-P138 VanDerWaalsContact O-N 3.1Å; L136-F139 HydrophobicContact CB-CD2 4.06Å; L136-F139 HydrophobicContact CD1-CD2 4.31Å; L136-F139 HydrophobicContact CD1-CE2 4.38Å; L136-F139 CarbonylContact O-C 3.42Å; L136-F139 WeakPolarHBondContact O-CA 3.39Å; L136-F139 PolarHBondContact O-N 3.01Å; L136-Q140 PolarHBondContact O-N 3.14Å
137K86.5Confident94.1Very high122 Ų12256.4 Ų56.453%0.5328%0.282SS..G310 helixtrans-44.9-42176.4-175.3176.2-174.4166.30115.1E20 F139 Q140E20-K137 VanDerWaalsContact CD-NZ 3.31Å; E20-K137 IonicContact OE1-NZ 3.99Å; E20-K137 PolarHBondContact OE1-NZ 3.47Å; E20-K137 IonicContact OE2-NZ 2.82Å; E20-K137 PolarHBondContact OE2-NZ 2.92Å; K137-F139 PolarHBondContact O-N 3.42Å; K137-Q140 VanDerWaalsContact O-CB 3.32Å; K137-Q140 WeakPolarHBondContact O-CB 3.47Å; K137-Q140 PolarHBondContact O-N 2.95Å; K137-Q140 VanDerWaalsContact O-N 3.15Å
138P85.4Confident94Very high19 Ų1957.2 Ų57.212%0.12329%0.29CS..G310 helixtrans-64.7-19.7177.7-19.833.4000114.6A77 L78 K106 L136A77-P138 HydrophobicContact CB-CB 3.86Å; A77-P138 HydrophobicContact CB-CG 3.22Å; L78-P138 HydrophobicContact CD2-CB 4.25Å; K106-P138 WeakPolarHBondContact CD-O 3.26Å; K106-P138 WeakPolarHBondContact CE-O 3.2Å; K106-P138 PolarHBondContact NZ-O 3.25Å; L136-P138 VanDerWaalsContact C-N 3.3Å; L136-P138 WeakPolarHBondContact O-CD 3.26Å; L136-P138 VanDerWaalsContact O-N 3.1Å
139F91.8Very high93.7Very high2 Ų262 Ų621%0.00931%0.308CS..G310 helixtrans-1058.5179.3-66-95.1000112.2L103 K106 L107 I110 I133 L136 K137 G141 V142L103-F139 HydrophobicContact CD1-CD1 3.84Å; L103-F139 HydrophobicContact CD1-CE1 3.69Å; K106-F139 HydrophobicContact CB-CE1 4.08Å; K106-F139 HydrophobicContact CB-CE2 4.41Å; K106-F139 HydrophobicContact CB-CZ 3.77Å; L107-F139 HydrophobicContact CD2-CE1 3.72Å; L107-F139 HydrophobicContact CD2-CZ 4.17Å; L107-F139 HydrophobicContact CG-CE1 4.1Å; I110-F139 HydrophobicContact CB-CE2 4.47Å; I110-F139 HydrophobicContact CB-CZ 4.49Å; I110-F139 HydrophobicContact CG2-CE2 4.2Å; I110-F139 HydrophobicContact CG2-CZ 3.8Å; I133-F139 HydrophobicContact CG2-CD1 3.69Å; I133-F139 HydrophobicContact CG2-CD2 3.86Å; I133-F139 HydrophobicContact CG2-CE1 3.64Å; I133-F139 HydrophobicContact CG2-CE2 3.82Å; I133-F139 HydrophobicContact CG2-CG 3.8Å; I133-F139 HydrophobicContact CG2-CZ 3.71Å; I133-F139 WeakPolarHBondContact O-CB 3.45Å; L136-F139 HydrophobicContact CB-CD2 4.06Å; L136-F139 HydrophobicContact CD1-CD2 4.31Å; L136-F139 HydrophobicContact CD1-CE2 4.38Å; L136-F139 CarbonylContact O-C 3.42Å; L136-F139 WeakPolarHBondContact O-CA 3.39Å; L136-F139 PolarHBondContact O-N 3.01Å; K137-F139 PolarHBondContact O-N 3.42Å; F139-G141 PolarHBondContact O-N 3.34Å; F139-V142 HydrophobicContact CB-CB 4.37Å; F139-V142 HydrophobicContact CB-CG2 4.28Å; F139-V142 HydrophobicContact CD1-CG2 4.33Å; F139-V142 WeakPolarHBondContact O-CB 3.43Å; F139-V142 WeakPolarHBondContact O-CG2 3.44Å; F139-V142 PolarHBondContact O-N 2.9Å
140Q88.6Confident93.5Very high161 Ų16160.3 Ų60.375%0.75230%0.302SS*.THydrogen-bonded Turntrans-57.4128.4173.8-172.6177.6-9.100110.4L136 K137 V142L136-Q140 PolarHBondContact O-N 3.14Å; K137-Q140 VanDerWaalsContact O-CB 3.32Å; K137-Q140 WeakPolarHBondContact O-CB 3.47Å; K137-Q140 PolarHBondContact O-N 2.95Å; K137-Q140 VanDerWaalsContact O-N 3.15Å; Q140-V142 VanDerWaalsContact C-N 3.27Å; Q140-V142 PolarHBondContact O-N 3.35Å
141G91.3Very high93.2Very high74 Ų7461 Ų6176%0.76331%0.306SS*.THydrogen-bonded Turntrans83.5-8.9-176.100000114.9F139F139-G141 PolarHBondContact O-N 3.34Å
142V94.9Very high92.8Very high29 Ų2964.7 Ų64.718%0.17633%0.326CS..  trans-74.5133.2170.9179.90000108.5L103 L134 F139 Q140 D146 I147L103-V142 HydrophobicContact CD1-CG1 3.86Å; L103-V142 HydrophobicContact CD1-CG2 4.05Å; L103-V142 HydrophobicContact CD2-CG1 3.77Å; L134-V142 HydrophobicContact CD2-CB 4Å; L134-V142 HydrophobicContact CD2-CG1 3.85Å; L134-V142 WeakPolarHBondContact CD2-O 3.14Å; F139-V142 HydrophobicContact CB-CB 4.37Å; F139-V142 HydrophobicContact CB-CG2 4.28Å; F139-V142 HydrophobicContact CD1-CG2 4.33Å; F139-V142 WeakPolarHBondContact O-CB 3.43Å; F139-V142 WeakPolarHBondContact O-CG2 3.44Å; F139-V142 PolarHBondContact O-N 2.9Å; Q140-V142 VanDerWaalsContact C-N 3.27Å; Q140-V142 PolarHBondContact O-N 3.35Å; V142-D146 HydrophobicContact CG1-CB 4.01Å; V142-I147 HydrophobicContact CG1-CD1 4.41Å; V142-I147 HydrophobicContact CG1-CG1 3.96Å
143R95.3Very high92.1Very high152 Ų15263.2 Ų63.257%0.57433%0.328SS*.  trans-102.8164.5175-63.8168.532.9-178.4-11.8111.3E145 D146 I147R143-E145 VanDerWaalsContact CB-OE2 3.31Å; R143-E145 WeakPolarHBondContact CB-OE2 3.32Å; R143-E145 IonicContact CZ-OE2 2.87Å; R143-E145 IonicContact NE-OE2 2.61Å; R143-E145 PolarHBondContact NE-OE2 3.31Å; R143-E145 VanDerWaalsContact NH2-CD 3.32Å; R143-E145 IonicContact NH2-OE2 3.96Å; R143-E145 PolarHBondContact NH2-OE2 3.02Å; R143-E145 PolarHBondContact O-N 3.11Å; R143-D146 WeakPolarHBondContact CB-OD2 3.39Å; R143-D146 PolarHBondContact N-OD2 3.23Å; R143-D146 WeakPolarHBondContact O-CB 3.49Å; R143-D146 PolarHBondContact O-N 3Å; R143-I147 PolarHBondContact O-N 3.36Å
144L95.4Very high90.7Very high69 Ų6964.2 Ų64.236%0.36133%0.333SS..Hα-helixtrans-56.6-39.4174.3175.558.7000111.5V130 D146 I147 S148 L170V130-L144 HydrophobicContact CG1-CD1 3.99Å; L144-D146 PolarHBondContact O-N 2.69Å; L144-I147 PolarHBondContact O-N 3.26Å; L144-S148 PolarHBondContact O-N 2.87Å; L144-S148 PolarHBondContact O-OG 3.49Å; L144-L170 HydrophobicContact CD1-CD2 3.34Å; L144-L170 HydrophobicContact CD2-CD2 4.3Å; L144-L170 HydrophobicContact CG-CD2 4.45Å
145E95.5Very high89.3Confident95 Ų9568.9 Ų68.944%0.44436%0.358SS..Hα-helixtrans-65.4-29.1179.7-57.573.9-147.700112.1R143 R149R143-E145 VanDerWaalsContact CB-OE2 3.31Å; R143-E145 WeakPolarHBondContact CB-OE2 3.32Å; R143-E145 IonicContact CZ-OE2 2.87Å; R143-E145 IonicContact NE-OE2 2.61Å; R143-E145 PolarHBondContact NE-OE2 3.31Å; R143-E145 VanDerWaalsContact NH2-CD 3.32Å; R143-E145 IonicContact NH2-OE2 3.96Å; R143-E145 PolarHBondContact NH2-OE2 3.02Å; R143-E145 PolarHBondContact O-N 3.11Å; E145-R149 WeakPolarHBondContact O-CB 3.18Å; E145-R149 PolarHBondContact O-N 3.43Å
146D95.2Very high88.1Confident31 Ų3165.4 Ų65.417%0.16634%0.341CS..Hα-helixtrans-70.1-41.5175.1-57.8-46.6000111.2L103 V142 R143 L144 R149 V150L103-D146 HydrophobicContact CD2-CB 3.73Å; V142-D146 HydrophobicContact CG1-CB 4.01Å; R143-D146 WeakPolarHBondContact CB-OD2 3.39Å; R143-D146 PolarHBondContact N-OD2 3.23Å; R143-D146 WeakPolarHBondContact O-CB 3.49Å; R143-D146 PolarHBondContact O-N 3Å; L144-D146 PolarHBondContact O-N 2.69Å; D146-R149 PolarHBondContact O-N 3.18Å; D146-R149 IonicContact OD1-CZ 3.32Å; D146-R149 VanDerWaalsContact OD1-CZ 3.25Å; D146-R149 IonicContact OD1-NH1 2.76Å; D146-R149 PolarHBondContact OD1-NH1 2.78Å; D146-R149 IonicContact OD1-NH2 2.55Å; D146-R149 PolarHBondContact OD1-NH2 3.22Å; D146-V150 WeakPolarHBondContact O-CB 3.36Å; D146-V150 WeakPolarHBondContact O-CG2 3.08Å; D146-V150 PolarHBondContact O-N 3.28Å
147I95.8Very high87.6Confident0 Ų069.8 Ų69.80%036%0.359CS..Hα-helixtrans-63.8-48.8174.4-65.8178.7000109.8L103 V130 L134 V142 R143 L144 R149 V150 V151 L161 I172L103-I147 HydrophobicContact CD2-CG1 4.45Å; V130-I147 HydrophobicContact CG1-CD1 3.77Å; L134-I147 HydrophobicContact CD2-CD1 3.59Å; L134-I147 HydrophobicContact CD2-CG1 4.48Å; L134-I147 HydrophobicContact CG-CD1 4.05Å; V142-I147 HydrophobicContact CG1-CD1 4.41Å; V142-I147 HydrophobicContact CG1-CG1 3.96Å; R143-I147 PolarHBondContact O-N 3.36Å; L144-I147 PolarHBondContact O-N 3.26Å; I147-R149 VanDerWaalsContact C-N 3.29Å; I147-R149 PolarHBondContact O-N 2.9Å; I147-V150 PolarHBondContact O-N 2.82Å; I147-V151 HydrophobicContact CG2-CG2 4.2Å; I147-V151 WeakPolarHBondContact O-CB 3.49Å; I147-V151 WeakPolarHBondContact O-CG2 3.19Å; I147-V151 PolarHBondContact O-N 2.82Å; I147-L161 HydrophobicContact CG2-CD1 4.42Å; I147-L161 HydrophobicContact CG2-CD2 4.25Å; I147-I172 HydrophobicContact CG2-CD1 3.83Å
148S94.3Very high87.7Confident34 Ų3467 Ų6724%0.23835%0.345CS..Hα-helixtrans-57.8-43.1176.9-64.70000111.6L144 V151 N152L144-S148 PolarHBondContact O-N 2.87Å; L144-S148 PolarHBondContact O-OG 3.49Å; S148-V151 PolarHBondContact O-N 3.38Å; S148-N152 VanDerWaalsContact O-CB 3.29Å; S148-N152 WeakPolarHBondContact O-CB 3.48Å; S148-N152 PolarHBondContact O-N 3.28Å; S148-N152 PolarHBondContact O-ND2 3.41Å
149R93.1Very high88.1Confident102 Ų10266.4 Ų66.439%0.38534%0.34SS..Hα-helixtrans-60.3-50.9175.1-174.5174.964.1-109-2.2111.2D100 E145 D146 I147 V151 N152 S153D100-R149 IonicContact OD1-CZ 3.23Å; D100-R149 IonicContact OD1-NE 2.98Å; D100-R149 PolarHBondContact OD1-NE 2.86Å; D100-R149 VanDerWaalsContact OD1-NE 3.15Å; D100-R149 IonicContact OD1-NH2 3.35Å; D100-R149 PolarHBondContact OD1-NH2 2.88Å; D100-R149 WeakPolarHBondContact OD2-CD 3.47Å; D100-R149 IonicContact OD2-CZ 2.65Å; D100-R149 IonicContact OD2-NE 3.22Å; D100-R149 PolarHBondContact OD2-NE 3.07Å; D100-R149 IonicContact OD2-NH2 3.65Å; E145-R149 WeakPolarHBondContact O-CB 3.18Å; E145-R149 PolarHBondContact O-N 3.43Å; D146-R149 PolarHBondContact O-N 3.18Å; D146-R149 IonicContact OD1-CZ 3.32Å; D146-R149 VanDerWaalsContact OD1-CZ 3.25Å; D146-R149 IonicContact OD1-NH1 2.76Å; D146-R149 PolarHBondContact OD1-NH1 2.78Å; D146-R149 IonicContact OD1-NH2 2.55Å; D146-R149 PolarHBondContact OD1-NH2 3.22Å; I147-R149 VanDerWaalsContact C-N 3.29Å; I147-R149 PolarHBondContact O-N 2.9Å; R149-V151 VanDerWaalsContact C-N 3.28Å; R149-V151 PolarHBondContact O-N 3.18Å; R149-N152 PolarHBondContact O-N 2.92Å; R149-S153 VanDerWaalsContact O-CB 3.31Å; R149-S153 WeakPolarHBondContact O-CB 3.42Å; R149-S153 PolarHBondContact O-N 2.86Å; R149-S153 PolarHBondContact O-OG 2.85Å
150V92.2Very high88.2Confident3 Ų368 Ų682%0.01835%0.348CS..Hα-helixtrans-63.6-30.7179.3166.10000113.4D100 L103 L107 D146 I147 N154 Y159D100-V150 HydrophobicContact CB-CG2 3.74Å; L103-V150 HydrophobicContact CB-CG2 4.1Å; L103-V150 HydrophobicContact CD2-CB 4.39Å; L103-V150 HydrophobicContact CD2-CG2 3.75Å; L103-V150 HydrophobicContact CG-CG2 3.99Å; L107-V150 HydrophobicContact CD1-CG1 3.89Å; D146-V150 WeakPolarHBondContact O-CB 3.36Å; D146-V150 WeakPolarHBondContact O-CG2 3.08Å; D146-V150 PolarHBondContact O-N 3.28Å; I147-V150 PolarHBondContact O-N 2.82Å; V150-N154 WeakPolarHBondContact O-CB 3.42Å; V150-Y159 HydrophobicContact CG1-CD2 4.48Å; V150-Y159 HydrophobicContact CG1-CE2 4.22Å
151V92.2Very high88.5Confident18 Ų1862.5 Ų62.511%0.10932%0.323CS..Hα-helixtrans-72.9-44.5174.9173.20000110I147 S148 R149 Y159 L161 I172I147-V151 HydrophobicContact CG2-CG2 4.2Å; I147-V151 WeakPolarHBondContact O-CB 3.49Å; I147-V151 WeakPolarHBondContact O-CG2 3.19Å; I147-V151 PolarHBondContact O-N 2.82Å; S148-V151 PolarHBondContact O-N 3.38Å; R149-V151 VanDerWaalsContact C-N 3.28Å; R149-V151 PolarHBondContact O-N 3.18Å; V151-Y159 HydrophobicContact CG2-CD2 4.37Å; V151-L161 HydrophobicContact CB-CD1 4Å; V151-L161 HydrophobicContact CB-CG 4.42Å; V151-L161 HydrophobicContact CG1-CD1 4.11Å; V151-L161 HydrophobicContact CG1-CG 4.21Å; V151-L161 HydrophobicContact CG2-CD1 3.86Å; V151-L161 HydrophobicContact CG2-CG 3.97Å; V151-I172 HydrophobicContact CG2-CD1 3.75Å
152N87.9Confident88.7Confident136 Ų13660.6 Ų60.673%0.72730%0.298SS*.Hα-helixtrans-76-35.5-177.3-69.4-21000113.8S148 R149 N154S148-N152 VanDerWaalsContact O-CB 3.29Å; S148-N152 WeakPolarHBondContact O-CB 3.48Å; S148-N152 PolarHBondContact O-N 3.28Å; S148-N152 PolarHBondContact O-ND2 3.41Å; R149-N152 PolarHBondContact O-N 2.92Å; N152-N154 VanDerWaalsContact C-N 3.27Å; N152-N154 PolarHBondContact O-N 2.77Å
153S81Confident88.8Confident66 Ų6663.1 Ų63.146%0.46231%0.314SS..THydrogen-bonded Turntrans-84.82.6178.8690000113.3R149 D155R149-S153 VanDerWaalsContact O-CB 3.31Å; R149-S153 WeakPolarHBondContact O-CB 3.42Å; R149-S153 PolarHBondContact O-N 2.86Å; R149-S153 PolarHBondContact O-OG 2.85Å; S153-D155 PolarHBondContact O-N 3.15Å
154N67.9Low88.9Confident20 Ų2056.2 Ų56.211%0.10729%0.288CS..  trans-74.4102.1-175.5-153.8-70.8000111.2V150 N152 K156 K157 R158V150-N154 WeakPolarHBondContact O-CB 3.42Å; N152-N154 VanDerWaalsContact C-N 3.27Å; N152-N154 PolarHBondContact O-N 2.77Å; N154-K156 PolarHBondContact O-N 2.78Å; N154-K156 WeakPolarHBondContact OD1-CA 3.34Å; N154-K156 WeakPolarHBondContact OD1-CB 3.39Å; N154-K156 PolarHBondContact OD1-N 2.82Å; N154-K157 PolarHBondContact O-N 2.93Å; N154-K157 PolarHBondContact OD1-N 2.83Å; N154-K157 VanDerWaalsContact OD1-N 3.16Å; N154-R158 WeakPolarHBondContact OD1-CG 3.17Å; N154-R158 PolarHBondContact OD1-N 3.22Å
155D65.6Low88.8Confident146 Ų14658.2 Ų58.278%0.78131%0.305SS*.THydrogen-bonded Turntrans-49-35.3173.5-63.1-28.1000112.6S153 I237S153-D155 PolarHBondContact O-N 3.15Å; D155-I237 WeakPolarHBondContact O-CG2 3.36Å
156K68.8Low88.8Confident64 Ų6462.2 Ų62.228%0.27832%0.324SS..THydrogen-bonded Turntrans-88.8-1.7-177-65.6176.9177.5177.70113.7N154 R158 N267N154-K156 PolarHBondContact O-N 2.78Å; N154-K156 WeakPolarHBondContact OD1-CA 3.34Å; N154-K156 WeakPolarHBondContact OD1-CB 3.39Å; N154-K156 PolarHBondContact OD1-N 2.82Å; K156-R158 VanDerWaalsContact C-N 3.26Å; K156-R158 HydrophobicContact CB-CG 3.78Å; K156-R158 VanDerWaalsContact CD-NH2 3.3Å; K156-R158 PolarHBondContact O-N 2.9Å; K156-N267 PolarHBondContact O-ND2 3.35Å
157K81.6Confident88.7Confident123 Ų12364.3 Ų64.354%0.53534%0.335SS..  trans42.652-176.6-59-173.3179.4-175.90111.7N154 Y159 Y175 N267N154-K157 PolarHBondContact O-N 2.93Å; N154-K157 PolarHBondContact OD1-N 2.83Å; N154-K157 VanDerWaalsContact OD1-N 3.16Å; K157-Y159 VanDerWaalsContact C-N 3.34Å; K157-Y159 PolarHBondContact O-N 3.31Å; K157-Y175 WeakPolarHBondContact O-CD2 3.39Å; K157-Y175 WeakPolarHBondContact O-CE2 3.48Å; K157-N267 HydrophobicContact CB-CB 4.33Å; K157-N267 WeakPolarHBondContact O-CB 3.29Å; K157-N267 PolarHBondContact O-ND2 3.39Å
158R87.7Confident88.7Confident63 Ų6366.8 Ų66.824%0.23836%0.361CS..  trans-73.3-25.7-169.7-70.4174.8-177.5-111.710.4114.7N154 K156 A174 Y175N154-R158 WeakPolarHBondContact OD1-CG 3.17Å; N154-R158 PolarHBondContact OD1-N 3.22Å; K156-R158 VanDerWaalsContact C-N 3.26Å; K156-R158 HydrophobicContact CB-CG 3.78Å; K156-R158 VanDerWaalsContact CD-NH2 3.3Å; K156-R158 PolarHBondContact O-N 2.9Å; R158-A174 WeakPolarHBondContact O-CA 3.4Å; R158-Y175 PolarHBondContact O-N 3.12Å
159Y93.6Very high88.8Confident7 Ų769 Ų693%0.02737%0.369CS..EExtended strand (participates in β ladder)trans-126.3153.8-165.7-46.8-49.4000110.2S104 L107 A108 L111 V150 V151 K157 R173 A174S104-Y159 PolarHBondContact O-OH 2.91Å; S104-Y159 PolarHBondContact OG-OH 2.84Å; L107-Y159 HydrophobicContact CB-CE1 4.48Å; L107-Y159 HydrophobicContact CB-CE2 4.09Å; L107-Y159 HydrophobicContact CD1-CD2 4.34Å; L107-Y159 HydrophobicContact CD1-CE2 4.25Å; A108-Y159 WeakPolarHBondContact CB-OH 3.31Å; A108-Y159 PolarHBondContact N-OH 3.4Å; L111-Y159 HydrophobicContact CD1-CD1 3.66Å; L111-Y159 HydrophobicContact CD1-CE1 4.02Å; L111-Y159 HydrophobicContact CD1-CG 4.3Å; V150-Y159 HydrophobicContact CG1-CD2 4.48Å; V150-Y159 HydrophobicContact CG1-CE2 4.22Å; V151-Y159 HydrophobicContact CG2-CD2 4.37Å; K157-Y159 VanDerWaalsContact C-N 3.34Å; K157-Y159 PolarHBondContact O-N 3.31Å; Y159-R173 WeakPolarHBondContact CA-O 3.45Å; Y159-A174 HydrophobicContact CD1-CB 4.22Å; Y159-A174 HydrophobicContact CE1-CB 4.44Å
160E94.1Very high89.1Confident35 Ų3566.8 Ų66.816%0.16437%0.365CS..EExtended strand (participates in β ladder)trans-128127173.5-164.9-177-130.600108.1Y127 I172 R173 Y175 K266Y127-E160 PolarHBondContact OH-OE2 3.34Å; E160-I172 VanDerWaalsContact O-CA 3.29Å; E160-I172 WeakPolarHBondContact O-CA 3.21Å; E160-R173 HydrophobicContact CB-CG 4.08Å; E160-R173 PolarHBondContact N-O 3.3Å; E160-R173 VanDerWaalsContact N-O 3.12Å; E160-R173 PolarHBondContact O-N 3.31Å; E160-R173 IonicContact OE1-NH2 2.63Å; E160-R173 IonicContact OE2-CZ 2.77Å; E160-R173 IonicContact OE2-NE 3.83Å; E160-R173 PolarHBondContact OE2-NE 3.28Å; E160-R173 IonicContact OE2-NH2 2.81Å; E160-R173 PolarHBondContact OE2-NH2 3.45Å; E160-Y175 HydrophobicContact CB-CE1 3.77Å; E160-Y175 WeakPolarHBondContact CB-OH 3.47Å; E160-Y175 HydrophobicContact CG-CE1 4.25Å; E160-Y175 WeakPolarHBondContact CG-OH 3.47Å; E160-K266 IonicContact OE1-NZ 3.03Å; E160-K266 PolarHBondContact OE1-NZ 2.96Å
161L95.7Very high89.4Confident46 Ų4668.4 Ų68.424%0.24137%0.371CS..EExtended strand (participates in β ladder)trans-91.1138.1165-78.3165.8000108.7V130 I147 V151 L170 R171 I172V130-L161 HydrophobicContact CG2-CD2 3.84Å; I147-L161 HydrophobicContact CG2-CD1 4.42Å; I147-L161 HydrophobicContact CG2-CD2 4.25Å; V151-L161 HydrophobicContact CB-CD1 4Å; V151-L161 HydrophobicContact CB-CG 4.42Å; V151-L161 HydrophobicContact CG1-CD1 4.11Å; V151-L161 HydrophobicContact CG1-CG 4.21Å; V151-L161 HydrophobicContact CG2-CD1 3.86Å; V151-L161 HydrophobicContact CG2-CG 3.97Å; L161-L170 HydrophobicContact CD2-CD1 4.47Å; L161-L170 HydrophobicContact CD2-CD2 4.08Å; L161-L170 HydrophobicContact CD2-CG 4.15Å; L161-R171 WeakPolarHBondContact CA-O 3.42Å; L161-I172 HydrophobicContact CD2-CB 3.83Å; L161-I172 HydrophobicContact CD2-CD1 4.19Å; L161-I172 HydrophobicContact CD2-CG1 4.19Å; L161-I172 HydrophobicContact CG-CD1 4.48Å
162S95.5Very high89.6Confident34 Ų3467.6 Ų67.624%0.23837%0.366CS..EExtended strand (participates in β ladder)trans-149.2152.2178.6178.10000109.5R171S162-R171 PolarHBondContact N-O 3.39Å; S162-R171 WeakPolarHBondContact O-CG 3.21Å; S162-R171 PolarHBondContact O-N 3.19Å; S162-R171 VanDerWaalsContact O-O 3.08Å
163T97.3Very high90Very high82 Ų8261.5 Ų61.550%0.50333%0.333SS..EExtended strand (participates in β ladder)trans-89.5131.5169.5-56.10000108.7G168T163-G168 WeakPolarHBondContact CG2-O 3.22Å
164N96.5Very high90.7Very high6 Ų658.4 Ų58.43%0.03231%0.311CS..  trans-66.1125.1172.4178.3-54000108.9Y129 E166 N167 G168 L169Y129-N164 HydrophobicContact CE1-CB 4.06Å; Y129-N164 PolarHBondContact OH-ND2 3.47Å; N164-E166 VanDerWaalsContact C-N 3.28Å; N164-E166 PolarHBondContact O-N 3.35Å; N164-E166 WeakPolarHBondContact OD1-CB 3.39Å; N164-E166 PolarHBondContact OD1-N 3.27Å; N164-N167 VanDerWaalsContact CB-OD1 3.22Å; N164-N167 WeakPolarHBondContact CB-OD1 3.41Å; N164-N167 VanDerWaalsContact CG-OD1 3.28Å; N164-N167 PolarHBondContact OD1-N 2.92Å; N164-N167 PolarHBondContact OD1-OD1 2.99Å; N164-G168 VanDerWaalsContact O-CA 3.26Å; N164-G168 WeakPolarHBondContact O-CA 3.16Å; N164-G168 PolarHBondContact O-N 2.97Å; N164-L169 WeakPolarHBondContact CB-O 3.2Å; N164-L169 PolarHBondContact N-O 3.02Å
165P94.2Very high91.9Very high111 Ų11158.8 Ų58.872%0.72131%0.311SS*.THydrogen-bonded Turntrans-69.4-23.6-173.127.7-34.9000113.8
166E94.2Very high93.1Very high180 Ų18052.3 Ų52.384%0.84128%0.276SS*.THydrogen-bonded Turntrans-85.8-40.2-175.9-61.8178.2176.800112.2N164N164-E166 VanDerWaalsContact C-N 3.28Å; N164-E166 PolarHBondContact O-N 3.35Å; N164-E166 WeakPolarHBondContact OD1-CB 3.39Å; N164-E166 PolarHBondContact OD1-N 3.27Å
167N94.5Very high94.2Very high75 Ų7549.3 Ų49.340%0.40126%0.263SS..THydrogen-bonded Turntrans-118.7-1-174.267.722.2000114.9Y129 N164 L169Y129-N167 PolarHBondContact OH-ND2 3.25Å; N164-N167 VanDerWaalsContact CB-OD1 3.22Å; N164-N167 WeakPolarHBondContact CB-OD1 3.41Å; N164-N167 VanDerWaalsContact CG-OD1 3.28Å; N164-N167 PolarHBondContact OD1-N 2.92Å; N164-N167 PolarHBondContact OD1-OD1 2.99Å; N167-L169 HydrophobicContact CB-CG 4.47Å; N167-L169 PolarHBondContact O-N 2.89Å; N167-L169 VanDerWaalsContact O-N 3.12Å; N167-L169 VanDerWaalsContact OD1-CB 3.3Å; N167-L169 WeakPolarHBondContact OD1-CB 3.49Å; N167-L169 WeakPolarHBondContact OD1-CG 3.33Å; N167-L169 PolarHBondContact OD1-N 3.09Å
168G95.4Very high94.8Very high51 Ų5143.5 Ų43.553%0.52624%0.238SC..  trans69.64.4177.500000114.7T163 N164T163-G168 WeakPolarHBondContact CG2-O 3.22Å; N164-G168 VanDerWaalsContact O-CA 3.26Å; N164-G168 WeakPolarHBondContact O-CA 3.16Å; N164-G168 PolarHBondContact O-N 2.97Å
169L96.8Very high95Very high80 Ų8043 Ų4342%0.41924%0.242SC..  trans-79.8140.6-178.3-60.9179.4000111.3Y129 N164 N167Y129-L169 HydrophobicContact CD1-CB 3.77Å; Y129-L169 HydrophobicContact CD1-CD1 4.38Å; Y129-L169 HydrophobicContact CE1-CB 3.75Å; Y129-L169 HydrophobicContact CE1-CD1 4.28Å; N164-L169 WeakPolarHBondContact CB-O 3.2Å; N164-L169 PolarHBondContact N-O 3.02Å; N167-L169 HydrophobicContact CB-CG 4.47Å; N167-L169 PolarHBondContact O-N 2.89Å; N167-L169 VanDerWaalsContact O-N 3.12Å; N167-L169 VanDerWaalsContact OD1-CB 3.3Å; N167-L169 WeakPolarHBondContact OD1-CB 3.49Å; N167-L169 WeakPolarHBondContact OD1-CG 3.33Å; N167-L169 PolarHBondContact OD1-N 3.09Å
170L98.1Very high94.9Very high56 Ų5644.1 Ų44.129%0.29325%0.249SC..EExtended strand (participates in β ladder)trans-72.4131.1177.8-166.872.2000110.8V130 L144 L161V130-L170 HydrophobicContact CB-CB 4.48Å; V130-L170 HydrophobicContact CB-CD2 4.32Å; V130-L170 HydrophobicContact CB-CG 4.48Å; V130-L170 HydrophobicContact CG1-CD2 4.46Å; V130-L170 HydrophobicContact CG2-CB 4.41Å; V130-L170 HydrophobicContact CG2-CD2 4.05Å; V130-L170 HydrophobicContact CG2-CG 3.99Å; V130-L170 PolarHBondContact N-O 3.08Å; L144-L170 HydrophobicContact CD1-CD2 3.34Å; L144-L170 HydrophobicContact CD2-CD2 4.3Å; L144-L170 HydrophobicContact CG-CD2 4.45Å; L161-L170 HydrophobicContact CD2-CD1 4.47Å; L161-L170 HydrophobicContact CD2-CD2 4.08Å; L161-L170 HydrophobicContact CD2-CG 4.15Å
171R97.9Very high94.8Very high38 Ų3848.7 Ų48.714%0.14328%0.28CS..EExtended strand (participates in β ladder)trans-130.2154.7179.759.3177.8-176.4178.51.3111.2Y127 L128 Y129 L161 S162Y127-R171 HydrophobicContact CD1-CB 4.05Å; Y127-R171 HydrophobicContact CD1-CG 3.61Å; Y127-R171 HydrophobicContact CE1-CG 4.17Å; Y127-R171 HydrophobicContact CG-CB 4.35Å; Y127-R171 HydrophobicContact CG-CG 3.95Å; L128-R171 CarbonylContact O-C 3.59Å; L128-R171 VanDerWaalsContact O-CA 3.28Å; L128-R171 WeakPolarHBondContact O-CA 3.38Å; Y129-R171 HydrophobicContact CD1-CB 4.13Å; Y129-R171 HydrophobicContact CE1-CB 4.48Å; L161-R171 WeakPolarHBondContact CA-O 3.42Å; S162-R171 PolarHBondContact N-O 3.39Å; S162-R171 WeakPolarHBondContact O-CG 3.21Å; S162-R171 PolarHBondContact O-N 3.19Å; S162-R171 VanDerWaalsContact O-O 3.08Å
172I97.8Very high94.7Very high0 Ų047.4 Ų47.40%027%0.273CS..EExtended strand (participates in β ladder)trans-132.9144-179.8-174.4169.2000110.3L107 L111 Y127 L128 V130 I133 I147 V151 E160 L161L107-I172 HydrophobicContact CD1-CD1 4.35Å; L107-I172 HydrophobicContact CD2-CD1 4.28Å; L111-I172 HydrophobicContact CD1-CD1 4.17Å; L111-I172 HydrophobicContact CD1-CG1 4.02Å; L111-I172 HydrophobicContact CD2-CG2 3.82Å; L111-I172 WeakPolarHBondContact CD2-O 3.32Å; Y127-I172 CarbonylContact C-O 3.48Å; Y127-I172 WeakPolarHBondContact CA-O 3.33Å; L128-I172 PolarHBondContact N-O 3.29Å; L128-I172 PolarHBondContact O-N 3.22Å; V130-I172 HydrophobicContact CG2-CB 4.03Å; V130-I172 HydrophobicContact CG2-CG2 3.85Å; I133-I172 HydrophobicContact CD1-CG2 3.46Å; I133-I172 VanDerWaalsContact CD1-CG2 3.46Å; I147-I172 HydrophobicContact CG2-CD1 3.83Å; V151-I172 HydrophobicContact CG2-CD1 3.75Å; E160-I172 VanDerWaalsContact O-CA 3.29Å; E160-I172 WeakPolarHBondContact O-CA 3.21Å; L161-I172 HydrophobicContact CD2-CB 3.83Å; L161-I172 HydrophobicContact CD2-CD1 4.19Å; L161-I172 HydrophobicContact CD2-CG1 4.19Å; L161-I172 HydrophobicContact CG-CD1 4.48Å
173R96.4Very high94.6Very high9 Ų953.3 Ų53.33%0.03430%0.297CS..EExtended strand (participates in β ladder)trans-134.9164.8173.166.6175.2174.3175.20.6112.5G125 G126 Y127 Y159 E160 D186G125-R173 WeakPolarHBondContact O-CD 3.18Å; G125-R173 PolarHBondContact O-NH1 2.91Å; G126-R173 WeakPolarHBondContact O-CB 3.33Å; Y127-R173 HydrophobicContact CD1-CB 3.63Å; Y127-R173 HydrophobicContact CD1-CG 3.74Å; Y127-R173 HydrophobicContact CE1-CB 3.95Å; Y127-R173 HydrophobicContact CE1-CG 3.48Å; Y127-R173 VanDerWaalsContact CE1-CG 3.48Å; Y127-R173 HydrophobicContact CE2-CG 4.42Å; Y127-R173 HydrophobicContact CG-CB 3.97Å; Y127-R173 HydrophobicContact CG-CG 4.3Å; Y127-R173 VanDerWaalsContact CZ-CD 3.44Å; Y127-R173 VanDerWaalsContact CZ-NE 3.32Å; Y127-R173 PolarHBondContact OH-NE 3.23Å; Y159-R173 WeakPolarHBondContact CA-O 3.45Å; E160-R173 HydrophobicContact CB-CG 4.08Å; E160-R173 PolarHBondContact N-O 3.3Å; E160-R173 VanDerWaalsContact N-O 3.12Å; E160-R173 PolarHBondContact O-N 3.31Å; E160-R173 IonicContact OE1-NH2 2.63Å; E160-R173 IonicContact OE2-CZ 2.77Å; E160-R173 IonicContact OE2-NE 3.83Å; E160-R173 PolarHBondContact OE2-NE 3.28Å; E160-R173 IonicContact OE2-NH2 2.81Å; E160-R173 PolarHBondContact OE2-NH2 3.45Å; R173-D186 IonicContact CZ-OD2 2.76Å; R173-D186 VanDerWaalsContact NH1-CB 3.28Å; R173-D186 IonicContact NH1-OD2 3.69Å; R173-D186 IonicContact NH2-OD2 2.68Å; R173-D186 PolarHBondContact NH2-OD2 2.76Å
174A95.6Very high94.2Very high0 Ų052.1 Ų52.10%030%0.301CS..EExtended strand (participates in β ladder)trans-101.3137.5161.800000110.2L111 R112 R158 Y159 Q176 H178L111-A174 HydrophobicContact CB-CB 3.9Å; R112-A174 HydrophobicContact CG-CB 3.82Å; R158-A174 WeakPolarHBondContact O-CA 3.4Å; Y159-A174 HydrophobicContact CD1-CB 4.22Å; Y159-A174 HydrophobicContact CE1-CB 4.44Å; A174-Q176 VanDerWaalsContact C-N 3.28Å; A174-Q176 PolarHBondContact O-N 3.48Å; A174-H178 PolarHBondContact O-NE2 3.18Å; A174-H178 VanDerWaalsContact O-NE2 3.09Å
175Y91.9Very high94Very high29 Ų2953.2 Ų53.211%0.11431%0.306CS..SBendtrans-66.3-27.8179.5-64.8-56000114.1K157 R158 E160 K266 N267K157-Y175 WeakPolarHBondContact O-CD2 3.39Å; K157-Y175 WeakPolarHBondContact O-CE2 3.48Å; R158-Y175 PolarHBondContact O-N 3.12Å; E160-Y175 HydrophobicContact CB-CE1 3.77Å; E160-Y175 WeakPolarHBondContact CB-OH 3.47Å; E160-Y175 HydrophobicContact CG-CE1 4.25Å; E160-Y175 WeakPolarHBondContact CG-OH 3.47Å; Y175-K266 HydrophobicContact CD1-CB 3.73Å; Y175-K266 HydrophobicContact CD1-CD 4.06Å; Y175-K266 HydrophobicContact CD1-CG 4.4Å; Y175-K266 HydrophobicContact CD2-CB 4.49Å; Y175-K266 HydrophobicContact CE1-CB 3.63Å; Y175-K266 HydrophobicContact CE1-CD 3.47Å; Y175-K266 VanDerWaalsContact CE1-CD 3.47Å; Y175-K266 HydrophobicContact CE1-CG 4.15Å; Y175-K266 HydrophobicContact CE2-CB 4.4Å; Y175-K266 HydrophobicContact CG-CB 4.17Å; Y175-N267 HydrophobicContact CD2-CB 3.86Å; Y175-N267 HydrophobicContact CE2-CB 4.28Å
176Q92Very high93.8Very high9 Ų951 Ų514%0.04229%0.289CS..SBendtrans-156175.7-175.251.771.8-7.100112.5R112 A174 H225 V269 L271R112-Q176 WeakPolarHBondContact CD-O 3.48Å; R112-Q176 VanDerWaalsContact CZ-OE1 3.29Å; R112-Q176 PolarHBondContact NE-O 2.71Å; R112-Q176 PolarHBondContact NH1-O 3.19Å; R112-Q176 PolarHBondContact NH2-O 2.63Å; A174-Q176 VanDerWaalsContact C-N 3.28Å; A174-Q176 PolarHBondContact O-N 3.48Å; Q176-H225 PolarHBondContact OE1-CE1 3.06Å; Q176-H225 PolarHBondContact OE1-ND1 3.15Å; Q176-V269 HydrophobicContact CG-CB 4.29Å; Q176-V269 HydrophobicContact CG-CG1 4.39Å; Q176-V269 HydrophobicContact CG-CG2 4.42Å; Q176-L271 HydrophobicContact CB-CD1 4.14Å; Q176-L271 HydrophobicContact CB-CD2 4.05Å
177G91Very high93.8Very high1 Ų144.3 Ų44.31%0.0126%0.258CS..  trans87.720167.200000115R112 H113 H225R112-G177 WeakPolarHBondContact CB-O 3.22Å; H113-G177 PolarHBondContact CE1-O 2.96Å; G177-H225 WeakPolarHBondContact CA-CE1 3.28Å; G177-H225 WeakPolarHBondContact CA-NE2 3.47Å
178H94.8Very high93.9Very high1 Ų143.3 Ų43.31%0.00526%0.26CS..  trans-66144.4176.5-57.7-66.8000111.5L111 R112 A174 V180 I182 R221 T222L111-H178 PolarHBondContact O-CE1 2.87Å; L111-H178 PolarHBondContact O-ND1 2.76Å; R112-H178 WeakPolarHBondContact CA-ND1 3.01Å; R112-H178 CarbonylContact O-C 3.54Å; R112-H178 VanDerWaalsContact O-CA 3.29Å; R112-H178 WeakPolarHBondContact O-CA 3.08Å; A174-H178 PolarHBondContact O-NE2 3.18Å; A174-H178 VanDerWaalsContact O-NE2 3.09Å; H178-V180 WeakPolarHBondContact CB-O 3.48Å; H178-I182 HydrophobicContact CB-CG1 4.09Å; H178-R221 WeakPolarHBondContact O-CA 3.46Å; H178-T222 PolarHBondContact O-N 3.08Å; H178-T222 PolarHBondContact O-OG1 3.5Å
179T91.7Very high94Very high52 Ų5244.9 Ų44.932%0.31926%0.256SS..SBendtrans-98-4.8165.551.30000112.3R112 H113 Q220 R221R112-T179 PolarHBondContact O-N 2.92Å; R112-T179 PolarHBondContact O-OG1 3.37Å; H113-T179 WeakPolarHBondContact CE1-CG2 3.16Å; H113-T179 WeakPolarHBondContact ND1-CB 3.5Å; H113-T179 WeakPolarHBondContact ND1-CG2 3.22Å; H113-T179 PolarHBondContact ND1-N 3.33Å; H113-T179 PolarHBondContact ND1-OG1 2.77Å; T179-Q220 WeakPolarHBondContact CA-O 3.48Å; T179-Q220 VanDerWaalsContact CB-O 3.31Å; T179-Q220 WeakPolarHBondContact CB-O 3.24Å; T179-Q220 HydrophobicContact CG2-CB 4.13Å; T179-Q220 VanDerWaalsContact CG2-O 3.25Å; T179-Q220 WeakPolarHBondContact CG2-O 3.43Å; T179-R221 HydrophobicContact CG2-CG 4.2Å
180V91.7Very high94.1Very high31 Ų3141.5 Ų41.519%0.18824%0.238CC..SBendtrans-115.4153.1174.4-60.90000109.3Y122 H178 I182 T222Y122-V180 HydrophobicContact CD2-CG2 4.1Å; Y122-V180 HydrophobicContact CE2-CG2 3.54Å; H178-V180 WeakPolarHBondContact CB-O 3.48Å; V180-I182 HydrophobicContact CG2-CD1 3.8Å; V180-I182 HydrophobicContact CG2-CG1 4.47Å; V180-I182 PolarHBondContact O-N 2.89Å; V180-T222 WeakPolarHBondContact O-CG2 3.48Å
181T91.8Very high93.9Very high132 Ų13246.1 Ų46.181%0.8126%0.259SS*.  trans-71.6127.9173.6-580000109.3
182I93.5Very high93.8Very high19 Ų1948.7 Ų48.710%0.09728%0.275CS..  trans-111.1121.5180-63-59.6000108.8Y122 H178 V180 L185Y122-I182 HydrophobicContact CD1-CD1 3.72Å; Y122-I182 HydrophobicContact CD2-CD1 3.51Å; Y122-I182 HydrophobicContact CE1-CD1 4.07Å; Y122-I182 HydrophobicContact CE2-CD1 3.9Å; Y122-I182 HydrophobicContact CG-CD1 3.41Å; Y122-I182 VanDerWaalsContact CG-CD1 3.41Å; H178-I182 HydrophobicContact CB-CG1 4.09Å; V180-I182 HydrophobicContact CG2-CD1 3.8Å; V180-I182 HydrophobicContact CG2-CG1 4.47Å; V180-I182 PolarHBondContact O-N 2.89Å; I182-L185 HydrophobicContact CB-CB 4.32Å; I182-L185 HydrophobicContact CB-CD1 4.44Å; I182-L185 HydrophobicContact CG2-CB 4.11Å; I182-L185 HydrophobicContact CG2-CD1 4.08Å
183E92.7Very high93.7Very high157 Ų15749.4 Ų49.473%0.73428%0.28SS*.THydrogen-bonded Turntrans-68.2139.8172.4-173.7179.2178.300110.9G125 L185G125-E183 PolarHBondContact N-O 2.87Å; E183-L185 PolarHBondContact O-N 3.24Å
184G90.4Very high93.6Very high57 Ų5754.9 Ų54.959%0.58831%0.306SS*.THydrogen-bonded Turntrans64.922.2175.500000114.3G125 D186G125-G184 WeakPolarHBondContact CA-O 3.43Å; G184-D186 PolarHBondContact O-N 2.61Å
185L90.7Very high93.6Very high29 Ų2960.1 Ų60.115%0.15233%0.334CS..  trans-57.9128.8176.7-170.467.6000110I182 E183 I187I182-L185 HydrophobicContact CB-CB 4.32Å; I182-L185 HydrophobicContact CB-CD1 4.44Å; I182-L185 HydrophobicContact CG2-CB 4.11Å; I182-L185 HydrophobicContact CG2-CD1 4.08Å; E183-L185 PolarHBondContact O-N 3.24Å; L185-I187 VanDerWaalsContact C-N 3.3Å; L185-I187 HydrophobicContact CD2-CD1 4.23Å; L185-I187 HydrophobicContact CD2-CG2 4.14Å; L185-I187 HydrophobicContact CG-CG2 4.15Å; L185-I187 PolarHBondContact O-N 2.99Å
186D91.8Very high93.7Very high65 Ų6561.2 Ų61.235%0.34834%0.338SS..  trans-82.276.3-173.9-171.50.7000110.4R173 G184 K266R173-D186 IonicContact CZ-OD2 2.76Å; R173-D186 VanDerWaalsContact NH1-CB 3.28Å; R173-D186 IonicContact NH1-OD2 3.69Å; R173-D186 IonicContact NH2-OD2 2.68Å; R173-D186 PolarHBondContact NH2-OD2 2.76Å; G184-D186 PolarHBondContact O-N 2.61Å; D186-K266 WeakPolarHBondContact OD2-CD 3.47Å; D186-K266 WeakPolarHBondContact OD2-CE 3.14Å; D186-K266 IonicContact OD2-NZ 3.32Å; D186-K266 PolarHBondContact OD2-NZ 2.89Å
187I93.7Very high93.7Very high39 Ų3965.3 Ų65.320%0.237%0.365CS..EExtended strand (participates in β ladder)trans-128.4136.7174.559.1174.2000108.8L185 Y263 I264 L271L185-I187 VanDerWaalsContact C-N 3.3Å; L185-I187 HydrophobicContact CD2-CD1 4.23Å; L185-I187 HydrophobicContact CD2-CG2 4.14Å; L185-I187 HydrophobicContact CG-CG2 4.15Å; L185-I187 PolarHBondContact O-N 2.99Å; I187-Y263 HydrophobicContact CD1-CD1 4.05Å; I187-Y263 HydrophobicContact CD1-CD2 4.34Å; I187-Y263 HydrophobicContact CD1-CG 3.86Å; I187-Y263 HydrophobicContact CG1-CD1 4.21Å; I187-Y263 HydrophobicContact CG1-CG 4.37Å; I187-I264 WeakPolarHBondContact CA-O 3.31Å; I187-L271 HydrophobicContact CG2-CD1 3.74Å
188A96.3Very high93.8Very high54 Ų5466.9 Ų66.945%0.44638%0.375SS..EExtended strand (participates in β ladder)trans-100.5139-179.700000110.2Y263 I264A188-Y263 CarbonylContact O-C 3.59Å; A188-Y263 WeakPolarHBondContact O-CA 3.3Å; A188-Y263 WeakPolarHBondContact O-CB 3.37Å; A188-I264 HydrophobicContact CB-CG2 3.95Å; A188-I264 PolarHBondContact N-O 2.97Å; A188-I264 PolarHBondContact O-N 3.07Å
189L97.9Very high93.8Very high84 Ų8466.9 Ų66.944%0.4438%0.375SS..EExtended strand (participates in β ladder)trans-64.3137.1171.4-173.970.3000109.1E191 K261 Y263L189-E191 PolarHBondContact O-N 2.93Å; L189-K261 HydrophobicContact CD1-CB 4.06Å; L189-K261 HydrophobicContact CD1-CG 4.3Å; L189-Y263 HydrophobicContact CB-CD1 4.28Å; L189-Y263 HydrophobicContact CB-CE1 4.3Å; L189-Y263 HydrophobicContact CD1-CD1 4.12Å; L189-Y263 HydrophobicContact CD1-CE1 3.75Å
190I97.9Very high94Very high9 Ų964.4 Ų64.45%0.04636%0.36CS..  trans-81.6107.3171.8-63.5177.9000107.8Y196 L252 I256 F262 I264 I270I190-Y196 HydrophobicContact CB-CE2 4.36Å; I190-Y196 HydrophobicContact CD1-CD2 3.87Å; I190-Y196 HydrophobicContact CD1-CE2 3.82Å; I190-Y196 HydrophobicContact CD1-CG 4.33Å; I190-Y196 HydrophobicContact CG1-CD2 4.25Å; I190-Y196 HydrophobicContact CG1-CE2 3.82Å; I190-Y196 HydrophobicContact CG2-CD2 3.64Å; I190-Y196 HydrophobicContact CG2-CE2 3.72Å; I190-L252 HydrophobicContact CG2-CD2 4.46Å; I190-I256 HydrophobicContact CG2-CD1 4.27Å; I190-F262 HydrophobicContact CB-CB 4.47Å; I190-F262 HydrophobicContact CD1-CB 4.08Å; I190-F262 PolarHBondContact N-O 2.86Å; I190-I264 HydrophobicContact CD1-CB 4.28Å; I190-I264 HydrophobicContact CG1-CB 4.14Å; I190-I264 HydrophobicContact CG1-CG2 4.39Å; I190-I270 HydrophobicContact CD1-CG1 4.14Å; I190-I270 HydrophobicContact CD1-CG2 4.02Å
191E95Very high94.2Very high154 Ų15464.8 Ų64.872%0.7236%0.359SS*.  trans-89.3-36.9179-62.5-174.1145.200112.4L189 P193L189-E191 PolarHBondContact O-N 2.93Å; E191-P193 WeakPolarHBondContact O-CD 3.29Å
192N95.7Very high94.3Very high92 Ų9259.3 Ų59.349%0.49233%0.33SS..  trans-110.396.3179-53.6-55.5000109.5E194 D195N192-E194 PolarHBondContact O-N 2.82Å; N192-D195 WeakPolarHBondContact O-CB 3.44Å; N192-D195 PolarHBondContact O-N 3.09Å
193P95.4Very high94.3Very high14 Ų1458.7 Ų58.79%0.09133%0.327CS..G310 helixtrans-61.9-21.918022.2-31.3000113.9E191 D195 Y196 L252 I253 I256E191-P193 WeakPolarHBondContact O-CD 3.29Å; P193-D195 PolarHBondContact O-N 3.42Å; P193-Y196 CarbonylContact O-C 3.47Å; P193-Y196 PolarHBondContact O-N 3.31Å; P193-L252 HydrophobicContact CB-CD2 3.8Å; P193-L252 HydrophobicContact CB-CG 4Å; P193-I253 HydrophobicContact CB-CG1 3.74Å; P193-I253 HydrophobicContact CG-CG1 3.86Å; P193-I256 HydrophobicContact CB-CD1 4.08Å
194E95.3Very high94.3Very high124 Ų12452.6 Ų52.658%0.57930%0.297SS*.G310 helixtrans-62.1-25176.2-66.277.4-168.400113N192 Y196N192-E194 PolarHBondContact O-N 2.82Å; E194-Y196 PolarHBondContact O-N 2.83Å
195D94Very high94.4Very high110 Ų11053.7 Ų53.759%0.58829%0.286SS*.G310 helixtrans-66.1-16.3174.8-66.6-21.4000112.2N192 P193 P197N192-D195 WeakPolarHBondContact O-CB 3.44Å; N192-D195 PolarHBondContact O-N 3.09Å; P193-D195 PolarHBondContact O-N 3.42Å; D195-P197 WeakPolarHBondContact O-CD 3.4Å
196Y93.8Very high94.4Very high52 Ų5259.4 Ų59.420%0.20431%0.305CS..  trans-126.968.2-177.4-56.2-83.8000111I190 P193 E194 T198 P228 I264 I270I190-Y196 HydrophobicContact CB-CE2 4.36Å; I190-Y196 HydrophobicContact CD1-CD2 3.87Å; I190-Y196 HydrophobicContact CD1-CE2 3.82Å; I190-Y196 HydrophobicContact CD1-CG 4.33Å; I190-Y196 HydrophobicContact CG1-CD2 4.25Å; I190-Y196 HydrophobicContact CG1-CE2 3.82Å; I190-Y196 HydrophobicContact CG2-CD2 3.64Å; I190-Y196 HydrophobicContact CG2-CE2 3.72Å; P193-Y196 CarbonylContact O-C 3.47Å; P193-Y196 PolarHBondContact O-N 3.31Å; E194-Y196 PolarHBondContact O-N 2.83Å; Y196-T198 PolarHBondContact O-N 2.87Å; Y196-T198 VanDerWaalsContact O-N 3.16Å; Y196-P228 HydrophobicContact CD1-CB 4.33Å; Y196-I264 HydrophobicContact CE1-CD1 3.73Å; Y196-I264 HydrophobicContact CE1-CG1 4.1Å; Y196-I264 WeakPolarHBondContact OH-CG1 3.39Å; Y196-I270 HydrophobicContact CD1-CD1 3.69Å; Y196-I270 HydrophobicContact CD1-CG1 4.27Å; Y196-I270 HydrophobicContact CE1-CD1 4.41Å; Y196-I270 HydrophobicContact CG-CD1 4.06Å
197P92.1Very high94.5Very high95 Ų9559.4 Ų59.462%0.61731%0.305SS*.SBendtrans-62.7-28-174.225.5-35.2000113.1D195 R286D195-P197 WeakPolarHBondContact O-CD 3.4Å; P197-R286 PolarHBondContact O-NH1 2.98Å
198T93.2Very high94.5Very high35 Ų3558.1 Ų58.122%0.21530%0.298CS..  trans-115.2122.7176-61.70000109.5Y196 I200 P228 Y249Y196-T198 PolarHBondContact O-N 2.87Å; Y196-T198 VanDerWaalsContact O-N 3.16Å; T198-I200 HydrophobicContact CG2-CG2 3.72Å; T198-P228 CarbonylContact O-C 3.06Å; T198-P228 WeakPolarHBondContact O-CA 3.44Å; T198-Y249 HydrophobicContact CG2-CD1 4.27Å; T198-Y249 HydrophobicContact CG2-CE1 3.85Å
199V95.9Very high94.4Very high1 Ų160.8 Ų60.81%0.00631%0.305CS..  trans-131.1118.5170.6-178.80000107.8F226 A227 I250 L252 I270V199-F226 HydrophobicContact CG1-CB 3.52Å; V199-F226 HydrophobicContact CG1-CD1 4.07Å; V199-F226 HydrophobicContact CG1-CD2 4.48Å; V199-F226 HydrophobicContact CG1-CG 3.78Å; V199-A227 WeakPolarHBondContact CA-O 3.12Å; V199-I250 HydrophobicContact CB-CB 4.21Å; V199-I250 HydrophobicContact CG1-CB 4.12Å; V199-I250 HydrophobicContact CG1-CG1 4.32Å; V199-I250 PolarHBondContact O-N 2.99Å; V199-L252 HydrophobicContact CG2-CB 4Å; V199-L252 HydrophobicContact CG2-CD1 4.38Å; V199-L252 HydrophobicContact CG2-CD2 3.86Å; V199-L252 HydrophobicContact CG2-CG 4.29Å; V199-I270 HydrophobicContact CB-CD1 4.42Å; V199-I270 HydrophobicContact CG1-CD1 4.14Å; V199-I270 HydrophobicContact CG1-CG2 4.23Å; V199-I270 HydrophobicContact CG2-CD1 3.65Å
200I95.8Very high94.3Very high0 Ų059.5 Ų59.50%030%0.303CS..EExtended strand (participates in β ladder)trans-129.8148.2-172.964.2169.7000113.5T198 F226 A227 G229 E230 M240 I247 I248 Y249T198-I200 HydrophobicContact CG2-CG2 3.72Å; I200-F226 CarbonylContact O-C 3.55Å; I200-F226 WeakPolarHBondContact O-CA 3.44Å; I200-F226 WeakPolarHBondContact O-CB 3.33Å; I200-A227 HydrophobicContact CD1-CB 4.37Å; I200-A227 HydrophobicContact CG1-CB 3.81Å; I200-A227 PolarHBondContact N-O 3.18Å; I200-A227 PolarHBondContact O-N 3.36Å; I200-G229 VanDerWaalsContact CD1-C 3.4Å; I200-G229 WeakPolarHBondContact CD1-O 3.34Å; I200-E230 HydrophobicContact CD1-CB 4.27Å; I200-E230 HydrophobicContact CD1-CG 3.73Å; I200-M240 HydrophobicContact CD1-CE 3.47Å; I200-M240 VanDerWaalsContact CD1-CE 3.47Å; I200-I247 HydrophobicContact CB-CG2 3.86Å; I200-I247 HydrophobicContact CD1-CG2 3.86Å; I200-I247 HydrophobicContact CG1-CG2 4.45Å; I200-I247 HydrophobicContact CG2-CG2 3.99Å; I200-I248 CarbonylContact C-O 3.56Å; I200-I248 WeakPolarHBondContact CA-O 3.11Å; I200-Y249 HydrophobicContact CG2-CD1 3.55Å; I200-Y249 HydrophobicContact CG2-CD2 4.12Å; I200-Y249 HydrophobicContact CG2-CE1 3.64Å; I200-Y249 HydrophobicContact CG2-CE2 4.19Å; I200-Y249 HydrophobicContact CG2-CG 3.83Å
201H95.7Very high94.3Very high38 Ų3859.9 Ų59.918%0.17631%0.305CS..EExtended strand (participates in β ladder)trans-117.4129.6169.9-174.285.3000110.7L216 H225 F226 I248H201-L216 HydrophobicContact CB-CD1 3.67Å; H201-L216 VanDerWaalsContact CD2-CD2 3.42Å; H201-L216 WeakPolarHBondContact CD2-CD2 3.35Å; H201-H225 PolarHBondContact ND1-O 2.84Å; H201-F226 HydrophobicContact CB-CD1 3.8Å; H201-F226 HydrophobicContact CB-CE1 4.01Å; H201-I248 HydrophobicContact CB-CB 4.44Å; H201-I248 PolarHBondContact N-O 3.06Å; H201-I248 PolarHBondContact O-N 2.8Å
202G93.8Very high94.3Very high18 Ų1854.1 Ų54.119%0.18628%0.276CS..EExtended strand (participates in β ladder)trans-95.4126.3174.100000112.7M240 I246G202-M240 WeakPolarHBondContact CA-SD 3.32Å; G202-I246 WeakPolarHBondContact CA-O 3.26Å
203T94Very high94.3Very high5 Ų556.5 Ų56.53%0.03128%0.283CS..EExtended strand (participates in β ladder)trans-134.7-173177.8-164.20000111.9N207 I211 E245 I246 I248T203-N207 PolarHBondContact OG1-ND2 3.34Å; T203-I211 HydrophobicContact CG2-CD1 3.83Å; T203-I211 WeakPolarHBondContact OG1-CD1 3.45Å; T203-E245 PolarHBondContact O-N 2.72Å; T203-I246 HydrophobicContact CG2-CB 3.83Å; T203-I246 HydrophobicContact CG2-CG2 4.05Å; T203-I246 PolarHBondContact N-O 3.46Å; T203-I246 PolarHBondContact O-N 2.75Å; T203-I246 VanDerWaalsContact O-N 3.12Å; T203-I248 HydrophobicContact CG2-CD1 3.97Å
204Y93Very high94.3Very high30 Ų3060.2 Ų60.212%0.11830%0.299CS..  trans-117.5153.7-179-60.1-80.7000110.1R206 N207 R241 S243 E245Y204-R206 PolarHBondContact O-N 2.99Å; Y204-N207 PolarHBondContact O-N 2.94Å; Y204-R241 WeakPolarHBondContact OH-CD 3.24Å; Y204-R241 PolarHBondContact OH-NH1 2.83Å; Y204-S243 WeakPolarHBondContact CE1-O 3.19Å; Y204-S243 PolarHBondContact OH-OG 3.25Å; Y204-E245 VanDerWaalsContact CA-OE2 3.23Å; Y204-E245 WeakPolarHBondContact CA-OE2 3.39Å; Y204-E245 VanDerWaalsContact CB-OE2 3.27Å; Y204-E245 WeakPolarHBondContact CB-OE2 3.44Å; Y204-E245 HydrophobicContact CD1-CG 4.21Å; Y204-E245 WeakPolarHBondContact CD1-OE2 3.38Å
205F92.5Very high94.4Very high80 Ų8054.5 Ų54.535%0.35127%0.273SS..Hα-helixtrans-54.2-41.5-179.6-88.2-68.4000112.8N207 W208 E245 I246 Q290 L297F205-N207 PolarHBondContact O-N 3.46Å; F205-W208 VanDerWaalsContact O-CB 3.29Å; F205-W208 WeakPolarHBondContact O-CB 3.48Å; F205-W208 PolarHBondContact O-N 2.95Å; F205-E245 HydrophobicContact CD2-CB 3.68Å; F205-E245 HydrophobicContact CD2-CG 4.27Å; F205-E245 HydrophobicContact CE2-CB 3.91Å; F205-E245 PolarHBondContact N-OE2 3.37Å; F205-I246 HydrophobicContact CD1-CD1 3.61Å; F205-I246 HydrophobicContact CD1-CG1 4.1Å; F205-I246 HydrophobicContact CE1-CD1 3.79Å; F205-I246 HydrophobicContact CE1-CG1 3.96Å; F205-I246 HydrophobicContact CE2-CG1 4.46Å; F205-I246 HydrophobicContact CG-CD1 4.13Å; F205-I246 HydrophobicContact CG-CG1 4.38Å; F205-I246 HydrophobicContact CZ-CD1 4.46Å; F205-I246 HydrophobicContact CZ-CG1 4.14Å; F205-Q290 HydrophobicContact CE2-CG 4.02Å; F205-Q290 HydrophobicContact CZ-CB 3.93Å; F205-Q290 HydrophobicContact CZ-CG 3.58Å; F205-L297 HydrophobicContact CE1-CD1 4.5Å
206R90.3Very high94.6Very high148 Ų14849.5 Ų49.556%0.55825%0.246SC*.Hα-helixtrans-57.1-18.9177.764.7172.9179.2-82.8-7.2115.2Y204Y204-R206 PolarHBondContact O-N 2.99Å
207N92.7Very high94.8Very high65 Ų6551.2 Ų51.235%0.34825%0.254SS..Hα-helixtrans-99.5-11.9178.9-59.7-22.8000112.1T203 Y204 F205 D209 S210 I211T203-N207 PolarHBondContact OG1-ND2 3.34Å; Y204-N207 PolarHBondContact O-N 2.94Å; F205-N207 PolarHBondContact O-N 3.46Å; N207-D209 PolarHBondContact O-N 3.41Å; N207-S210 PolarHBondContact O-N 3.03Å; N207-I211 HydrophobicContact CB-CD1 3.75Å; N207-I211 HydrophobicContact CB-CG1 4.48Å; N207-I211 VanDerWaalsContact O-CG1 3.27Å; N207-I211 WeakPolarHBondContact O-CG1 3.12Å; N207-I211 PolarHBondContact O-N 3.16Å
208W95Very high95Very high13 Ų1351.2 Ų51.25%0.04924%0.242CC..Hα-helixtrans-66.1-42.8-163.8-175.7-133.2000113.4F205 S210 I211 R212 I246 I248 A288 L297 S298 L299F205-W208 VanDerWaalsContact O-CB 3.29Å; F205-W208 WeakPolarHBondContact O-CB 3.48Å; F205-W208 PolarHBondContact O-N 2.95Å; W208-S210 VanDerWaalsContact C-N 3.34Å; W208-S210 PolarHBondContact O-N 3.17Å; W208-I211 HydrophobicContact CE3-CB 4.16Å; W208-I211 HydrophobicContact CE3-CG2 4.01Å; W208-I211 HydrophobicContact CZ3-CB 4.47Å; W208-I211 HydrophobicContact CZ3-CG2 3.84Å; W208-I211 PolarHBondContact O-N 2.84Å; W208-I211 VanDerWaalsContact O-N 3.15Å; W208-R212 HydrophobicContact CD2-CG 4.13Å; W208-R212 HydrophobicContact CE3-CG 4.33Å; W208-R212 HydrophobicContact CH2-CG 3.69Å; W208-R212 HydrophobicContact CZ2-CG 3.49Å; W208-R212 VanDerWaalsContact CZ2-CG 3.49Å; W208-R212 HydrophobicContact CZ3-CG 4.11Å; W208-R212 VanDerWaalsContact NE1-CD 3.29Å; W208-R212 PolarHBondContact O-N 3.06Å; W208-I246 HydrophobicContact CB-CD1 3.51Å; W208-I246 HydrophobicContact CD2-CD1 3.87Å; W208-I246 HydrophobicContact CE3-CD1 4.37Å; W208-I246 HydrophobicContact CE3-CG2 4.31Å; W208-I246 HydrophobicContact CG-CD1 3.48Å; W208-I246 VanDerWaalsContact CG-CD1 3.48Å; W208-I248 HydrophobicContact CE3-CD1 4.19Å; W208-I248 HydrophobicContact CH2-CG1 4.4Å; W208-I248 HydrophobicContact CZ3-CD1 3.64Å; W208-I248 HydrophobicContact CZ3-CG1 3.78Å; W208-A288 HydrophobicContact CH2-CB 3.29Å; W208-A288 HydrophobicContact CZ2-CB 3.63Å; W208-A288 HydrophobicContact CZ3-CB 4.15Å; W208-L297 HydrophobicContact CZ2-CB 3.92Å; W208-L297 HydrophobicContact CZ2-CD1 4.27Å; W208-S298 VanDerWaalsContact CZ2-O 3.3Å; W208-S298 WeakPolarHBondContact CZ2-O 3.26Å; W208-L299 HydrophobicContact CH2-CD2 3.97Å; W208-L299 HydrophobicContact CZ2-CD2 4.43Å
209D94.4Very high94.9Very high109 Ų10956.2 Ų56.258%0.58327%0.265SS*.Hα-helixtrans-61.9-41.5-178.2-66.1-24.3000112.2N207 K213N207-D209 PolarHBondContact O-N 3.41Å; D209-K213 WeakPolarHBondContact O-CD 3.1Å; D209-K213 VanDerWaalsContact O-CG 3.24Å; D209-K213 WeakPolarHBondContact O-CG 3.42Å; D209-K213 PolarHBondContact O-N 2.76Å
210S95Very high94.6Very high58 Ų5863.7 Ų63.741%0.40630%0.3SS..Hα-helixtrans-68.7-42.1174.61730000111N207 W208 R212 K213 E214N207-S210 PolarHBondContact O-N 3.03Å; W208-S210 VanDerWaalsContact C-N 3.34Å; W208-S210 PolarHBondContact O-N 3.17Å; S210-R212 VanDerWaalsContact C-N 3.35Å; S210-R212 PolarHBondContact O-N 3.33Å; S210-K213 PolarHBondContact O-N 2.98Å; S210-K213 VanDerWaalsContact O-N 3.08Å; S210-E214 WeakPolarHBondContact O-CB 3.27Å; S210-E214 PolarHBondContact O-N 3.48Å; S210-E214 PolarHBondContact OG-OE1 2.86Å
211I97.3Very high94.5Very high16 Ų1668 Ų688%0.08232%0.316CS..Hα-helixtrans-61.8-40.1178.3-70.1167.4000112T203 N207 W208 K213 G215 L216 I248 T282 F285T203-I211 HydrophobicContact CG2-CD1 3.83Å; T203-I211 WeakPolarHBondContact OG1-CD1 3.45Å; N207-I211 HydrophobicContact CB-CD1 3.75Å; N207-I211 HydrophobicContact CB-CG1 4.48Å; N207-I211 VanDerWaalsContact O-CG1 3.27Å; N207-I211 WeakPolarHBondContact O-CG1 3.12Å; N207-I211 PolarHBondContact O-N 3.16Å; W208-I211 HydrophobicContact CE3-CB 4.16Å; W208-I211 HydrophobicContact CE3-CG2 4.01Å; W208-I211 HydrophobicContact CZ3-CB 4.47Å; W208-I211 HydrophobicContact CZ3-CG2 3.84Å; W208-I211 PolarHBondContact O-N 2.84Å; W208-I211 VanDerWaalsContact O-N 3.15Å; I211-K213 VanDerWaalsContact C-N 3.29Å; I211-K213 PolarHBondContact O-N 2.81Å; I211-G215 VanDerWaalsContact O-CA 3.27Å; I211-G215 WeakPolarHBondContact O-CA 3.46Å; I211-G215 PolarHBondContact O-N 3.26Å; I211-L216 HydrophobicContact CD1-CD2 3.97Å; I211-L216 HydrophobicContact CG1-CD2 4.22Å; I211-L216 HydrophobicContact CG2-CD2 3.97Å; I211-L216 HydrophobicContact CG2-CG 4.29Å; I211-I248 HydrophobicContact CG2-CD1 3.66Å; I211-T282 VanDerWaalsContact O-CG2 3.24Å; I211-T282 WeakPolarHBondContact O-CG2 3.36Å; I211-F285 HydrophobicContact CG2-CE2 3.67Å; I211-F285 HydrophobicContact CG2-CZ 3.96Å
212R95.5Very high94.5Very high33 Ų3367 Ų6713%0.12531%0.312CS..Hα-helixtrans-67.7-25.6174.7-98.617158.7155.1-25.8114W208 S210 T282 S298 L299 T300 P301W208-R212 HydrophobicContact CD2-CG 4.13Å; W208-R212 HydrophobicContact CE3-CG 4.33Å; W208-R212 HydrophobicContact CH2-CG 3.69Å; W208-R212 HydrophobicContact CZ2-CG 3.49Å; W208-R212 VanDerWaalsContact CZ2-CG 3.49Å; W208-R212 HydrophobicContact CZ3-CG 4.11Å; W208-R212 VanDerWaalsContact NE1-CD 3.29Å; W208-R212 PolarHBondContact O-N 3.06Å; S210-R212 VanDerWaalsContact C-N 3.35Å; S210-R212 PolarHBondContact O-N 3.33Å; R212-T282 WeakPolarHBondContact O-CG2 3.39Å; R212-S298 VanDerWaalsContact CD-O 3.22Å; R212-S298 WeakPolarHBondContact CD-O 3.4Å; R212-S298 VanDerWaalsContact NH1-C 3.26Å; R212-S298 PolarHBondContact NH1-O 3.18Å; R212-S298 PolarHBondContact NH1-OG 2.99Å; R212-L299 WeakPolarHBondContact CG-O 3.48Å; R212-T300 VanDerWaalsContact CZ-C 3.42Å; R212-T300 VanDerWaalsContact NE-C 3.33Å; R212-T300 PolarHBondContact NE-O 3.19Å; R212-T300 PolarHBondContact NH1-O 3.2Å; R212-T300 PolarHBondContact NH2-O 3.17Å; R212-P301 HydrophobicContact CB-CG 4.25Å; R212-P301 PolarHBondContact NH2-OXT 3.18Å; R212-P301 WeakPolarHBondContact O-CD 3.47Å
213K95.8Very high94.6Very high143 Ų14366.8 Ų66.862%0.62231%0.306SS*.Hα-helixtrans-85.3-40.6178.4-73172.7-176.11800111.7D209 S210 I211 P301D209-K213 WeakPolarHBondContact O-CD 3.1Å; D209-K213 VanDerWaalsContact O-CG 3.24Å; D209-K213 WeakPolarHBondContact O-CG 3.42Å; D209-K213 PolarHBondContact O-N 2.76Å; S210-K213 PolarHBondContact O-N 2.98Å; S210-K213 VanDerWaalsContact O-N 3.08Å; I211-K213 VanDerWaalsContact C-N 3.29Å; I211-K213 PolarHBondContact O-N 2.81Å; K213-P301 HydrophobicContact CB-CG 4.35Å; K213-P301 HydrophobicContact CG-CB 4.13Å; K213-P301 HydrophobicContact CG-CG 3.46Å; K213-P301 VanDerWaalsContact CG-CG 3.46Å
214E95.1Very high94.8Very high92 Ų9266.7 Ų66.743%0.4331%0.306SS..Hα-helixtrans-116.6-24.3-163.7-61170-122.800113.8S210 K217 C279S210-E214 WeakPolarHBondContact O-CB 3.27Å; S210-E214 PolarHBondContact O-N 3.48Å; S210-E214 PolarHBondContact OG-OE1 2.86Å; E214-K217 WeakPolarHBondContact OE2-CE 3.16Å; E214-K217 IonicContact OE2-NZ 3.74Å; E214-K217 PolarHBondContact OE2-NZ 3.08Å; E214-C279 PolarHBondContact O-SG 2.78Å
215G97.6Very high94.9Very high3 Ų366.3 Ų66.33%0.03131%0.305CS..  trans99.9-171.7-170.200000113.8I211 L280I211-G215 VanDerWaalsContact O-CA 3.27Å; I211-G215 WeakPolarHBondContact O-CA 3.46Å; I211-G215 PolarHBondContact O-N 3.26Å; G215-L280 CarbonylContact C-O 3.51Å; G215-L280 VanDerWaalsContact CA-O 3.28Å; G215-L280 WeakPolarHBondContact CA-O 3.39Å
216L98.4Very high95Very high5 Ų562.5 Ų62.53%0.02629%0.288CS..EExtended strand (participates in β ladder)trans-90.7123.2177.1-75.3169.8000110.1H201 I211 I224 F226 I248 I250 C279 L280 F285H201-L216 HydrophobicContact CB-CD1 3.67Å; H201-L216 VanDerWaalsContact CD2-CD2 3.42Å; H201-L216 WeakPolarHBondContact CD2-CD2 3.35Å; I211-L216 HydrophobicContact CD1-CD2 3.97Å; I211-L216 HydrophobicContact CG1-CD2 4.22Å; I211-L216 HydrophobicContact CG2-CD2 3.97Å; I211-L216 HydrophobicContact CG2-CG 4.29Å; L216-I224 HydrophobicContact CB-CD1 4.34Å; L216-I224 HydrophobicContact CB-CG2 4.12Å; L216-I224 WeakPolarHBondContact O-CD1 3.47Å; L216-F226 HydrophobicContact CD1-CE1 3.73Å; L216-F226 HydrophobicContact CD1-CZ 4.35Å; L216-I248 HydrophobicContact CD1-CD1 4.45Å; L216-I248 HydrophobicContact CD2-CD1 3.99Å; L216-I248 HydrophobicContact CG-CD1 4.43Å; L216-I250 HydrophobicContact CD1-CD1 4.01Å; L216-C279 CarbonylContact O-C 3.54Å; L216-C279 WeakPolarHBondContact O-CA 3.48Å; L216-C279 PolarHBondContact O-SG 3.03Å; L216-L280 HydrophobicContact CB-CB 4.48Å; L216-L280 PolarHBondContact N-O 2.95Å; L216-L280 PolarHBondContact O-N 3.42Å; L216-F285 HydrophobicContact CB-CZ 4.34Å; L216-F285 HydrophobicContact CD1-CE1 3.92Å; L216-F285 HydrophobicContact CD1-CZ 4.09Å; L216-F285 HydrophobicContact CG-CE1 3.97Å; L216-F285 HydrophobicContact CG-CZ 3.68Å
217K97.7Very high95.1Very high89 Ų8955.4 Ų55.439%0.38726%0.262SS..EExtended strand (participates in β ladder)trans-104.1143.6178.9-68.7178.3172.8177.90111.9E214 M219 G278 C279E214-K217 WeakPolarHBondContact OE2-CE 3.16Å; E214-K217 IonicContact OE2-NZ 3.74Å; E214-K217 PolarHBondContact OE2-NZ 3.08Å; K217-M219 HydrophobicContact CB-CG 4.42Å; K217-M219 HydrophobicContact CB-SD 3.77Å; K217-M219 PolarHBondContact O-N 3.38Å; K217-G278 CarbonylContact C-O 3.54Å; K217-G278 WeakPolarHBondContact CA-O 3.44Å; K217-C279 HydrophobicContact CG-CB 3.99Å
218R95.6Very high95.1Very high95 Ų9553.9 Ų53.936%0.35826%0.255SS..  trans-66.2-17.3170.468.1-174.8178103.4-8.8112.8Q220 R221 T222 I224 E273 G278R218-Q220 PolarHBondContact O-N 3.46Å; R218-R221 WeakPolarHBondContact CB-O 3.27Å; R218-R221 WeakPolarHBondContact CD-O 2.9Å; R218-R221 WeakPolarHBondContact CG-O 3.27Å; R218-R221 PolarHBondContact NH1-O 3.45Å; R218-R221 WeakPolarHBondContact O-CB 3.28Å; R218-R221 PolarHBondContact O-N 3.47Å; R218-T222 WeakPolarHBondContact CD-O 3.24Å; R218-I224 HydrophobicContact CB-CG1 4.02Å; R218-E273 WeakPolarHBondContact CD-O 3.35Å; R218-G278 PolarHBondContact N-O 2.79Å
219M92.2Very high94.8Very high140 Ų14053.2 Ų53.269%0.6925%0.253SS*.THydrogen-bonded Turntrans55.6-126.5-174.8-54.2-60.3-69.400109.4K217 R221K217-M219 HydrophobicContact CB-CG 4.42Å; K217-M219 HydrophobicContact CB-SD 3.77Å; K217-M219 PolarHBondContact O-N 3.38Å; M219-R221 VanDerWaalsContact C-N 3.28Å; M219-R221 PolarHBondContact O-N 3.39Å
220Q89.2Confident94.2Very high158 Ų15849.3 Ų49.374%0.73823%0.231SC*.THydrogen-bonded Turntrans-79.7-8177.8-59.1-56.7-30.600113.6T179 R218T179-Q220 WeakPolarHBondContact CA-O 3.48Å; T179-Q220 VanDerWaalsContact CB-O 3.31Å; T179-Q220 WeakPolarHBondContact CB-O 3.24Å; T179-Q220 HydrophobicContact CG2-CB 4.13Å; T179-Q220 VanDerWaalsContact CG2-O 3.25Å; T179-Q220 WeakPolarHBondContact CG2-O 3.43Å; R218-Q220 PolarHBondContact O-N 3.46Å
221R93.4Very high93.1Very high90 Ų9049.7 Ų49.734%0.3423%0.23SC..SBendtrans-82.3163.8-179.6-65.5-178.5-178.1156.17.5111.4H178 T179 R218 M219 H223H178-R221 WeakPolarHBondContact O-CA 3.46Å; T179-R221 HydrophobicContact CG2-CG 4.2Å; R218-R221 WeakPolarHBondContact CB-O 3.27Å; R218-R221 WeakPolarHBondContact CD-O 2.9Å; R218-R221 WeakPolarHBondContact CG-O 3.27Å; R218-R221 PolarHBondContact NH1-O 3.45Å; R218-R221 WeakPolarHBondContact O-CB 3.28Å; R218-R221 PolarHBondContact O-N 3.47Å; M219-R221 VanDerWaalsContact C-N 3.28Å; M219-R221 PolarHBondContact O-N 3.39Å; R221-H223 VanDerWaalsContact C-N 3.32Å
222T95.3Very high91.6Very high17 Ų1752.5 Ų52.510%0.10426%0.264CS..SBendtrans-71.1-29.3170.751.80000112.3H178 V180 R218H178-T222 PolarHBondContact O-N 3.08Å; H178-T222 PolarHBondContact O-OG1 3.5Å; V180-T222 WeakPolarHBondContact O-CG2 3.48Å; R218-T222 WeakPolarHBondContact CD-O 3.24Å
223H96.8Very high90.3Very high13 Ų1355.2 Ų55.26%0.0628%0.278CS..SBendtrans-135.2148.8-176.2-56.983.4000113R221 H225 L271 C272 E273R221-H223 VanDerWaalsContact C-N 3.32Å; H223-H225 PolarHBondContact O-CD2 2.86Å; H223-H225 VanDerWaalsContact O-CD2 3.25Å; H223-L271 HydrophobicContact CB-CB 3.99Å; H223-L271 HydrophobicContact CB-CD2 4.05Å; H223-C272 CarbonylContact C-O 3.59Å; H223-C272 WeakPolarHBondContact CA-O 3.33Å; H223-E273 IonicContact NE2-OE1 3.25Å
224I97.4Very high88.8Confident4 Ų455.8 Ų55.82%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-73.1136.5155.4-50.4158.8000107.3L216 R218 F226 L271 C272 L280L216-I224 HydrophobicContact CB-CD1 4.34Å; L216-I224 HydrophobicContact CB-CG2 4.12Å; L216-I224 WeakPolarHBondContact O-CD1 3.47Å; R218-I224 HydrophobicContact CB-CG1 4.02Å; I224-F226 HydrophobicContact CB-CE2 3.81Å; I224-F226 HydrophobicContact CB-CZ 3.88Å; I224-F226 HydrophobicContact CG2-CD2 4.49Å; I224-F226 HydrophobicContact CG2-CE1 3.91Å; I224-F226 HydrophobicContact CG2-CE2 3.64Å; I224-F226 HydrophobicContact CG2-CZ 3.3Å; I224-L271 WeakPolarHBondContact O-CA 3.31Å; I224-C272 PolarHBondContact N-O 3.36Å; I224-C272 PolarHBondContact O-N 3.29Å; I224-L280 HydrophobicContact CD1-CB 3.67Å
225H94.9Very high87.2Confident21 Ų2153.8 Ų53.810%0.09730%0.297CS..EExtended strand (participates in β ladder)trans-108.6139.9-178.5-63.4-169.1000111Q176 G177 H201 H223 V269 L271Q176-H225 PolarHBondContact OE1-CE1 3.06Å; Q176-H225 PolarHBondContact OE1-ND1 3.15Å; G177-H225 WeakPolarHBondContact CA-CE1 3.28Å; G177-H225 WeakPolarHBondContact CA-NE2 3.47Å; H201-H225 PolarHBondContact ND1-O 2.84Å; H223-H225 PolarHBondContact O-CD2 2.86Å; H223-H225 VanDerWaalsContact O-CD2 3.25Å; H225-V269 HydrophobicContact CB-CG1 4.03Å; H225-L271 HydrophobicContact CB-CD2 4.49Å; H225-L271 WeakPolarHBondContact CD2-CD2 3.44Å
226F95.7Very high85.6Confident0 Ų055 Ų550%030%0.304CS..EExtended strand (participates in β ladder)trans-130.6156.8177.1-49.8-90.1000110.5V199 I200 H201 L216 I224 I250 F262 V269 I270 C272 L280V199-F226 HydrophobicContact CG1-CB 3.52Å; V199-F226 HydrophobicContact CG1-CD1 4.07Å; V199-F226 HydrophobicContact CG1-CD2 4.48Å; V199-F226 HydrophobicContact CG1-CG 3.78Å; I200-F226 CarbonylContact O-C 3.55Å; I200-F226 WeakPolarHBondContact O-CA 3.44Å; I200-F226 WeakPolarHBondContact O-CB 3.33Å; H201-F226 HydrophobicContact CB-CD1 3.8Å; H201-F226 HydrophobicContact CB-CE1 4.01Å; L216-F226 HydrophobicContact CD1-CE1 3.73Å; L216-F226 HydrophobicContact CD1-CZ 4.35Å; I224-F226 HydrophobicContact CB-CE2 3.81Å; I224-F226 HydrophobicContact CB-CZ 3.88Å; I224-F226 HydrophobicContact CG2-CD2 4.49Å; I224-F226 HydrophobicContact CG2-CE1 3.91Å; I224-F226 HydrophobicContact CG2-CE2 3.64Å; I224-F226 HydrophobicContact CG2-CZ 3.3Å; F226-I250 HydrophobicContact CD1-CD1 4.44Å; F226-I250 HydrophobicContact CD1-CG1 3.69Å; F226-I250 HydrophobicContact CE1-CD1 3.86Å; F226-I250 HydrophobicContact CE1-CG1 3.5Å; F226-I250 VanDerWaalsContact CE1-CG1 3.5Å; F226-I250 HydrophobicContact CZ-CG1 4.44Å; F226-F262 HydrophobicContact CD2-CD1 4.5Å; F226-F262 HydrophobicContact CD2-CE1 4.12Å; F226-F262 HydrophobicContact CE2-CD1 4.43Å; F226-F262 AromaticContact CE2-CE1 3.76Å; F226-F262 HydrophobicContact CE2-CE1 3.76Å; F226-F262 HydrophobicContact CZ-CE1 4.26Å; F226-V269 WeakPolarHBondContact O-CG1 3.29Å; F226-I270 HydrophobicContact CB-CB 4.04Å; F226-I270 HydrophobicContact CB-CG2 4.28Å; F226-I270 HydrophobicContact CD2-CG2 4.22Å; F226-I270 PolarHBondContact N-O 2.82Å; F226-I270 PolarHBondContact O-N 2.93Å; F226-C272 HydrophobicContact CE2-CB 3.72Å; F226-C272 HydrophobicContact CZ-CB 4.5Å; F226-L280 HydrophobicContact CE1-CD2 4.19Å; F226-L280 HydrophobicContact CZ-CD2 3.73Å
227A92.8Very high83.8Confident0 Ų058 Ų580%032%0.32CS..BIsolated β-bridgetrans-101.9149.2168.200000109.6V199 I200 G229V199-A227 WeakPolarHBondContact CA-O 3.12Å; I200-A227 HydrophobicContact CD1-CB 4.37Å; I200-A227 HydrophobicContact CG1-CB 3.81Å; I200-A227 PolarHBondContact N-O 3.18Å; I200-A227 PolarHBondContact O-N 3.36Å; A227-G229 WeakPolarHBondContact CB-O 3.08Å; A227-G229 PolarHBondContact O-N 3.21Å
228P91.9Very high82.1Confident32 Ų3254.5 Ų54.521%0.20831%0.306CS..SBendtrans-80.38.9176.333.9-36.4000113.7Y196 T198 N268 I270Y196-P228 HydrophobicContact CD1-CB 4.33Å; T198-P228 CarbonylContact O-C 3.06Å; T198-P228 WeakPolarHBondContact O-CA 3.44Å; P228-N268 VanDerWaalsContact CD-O 3.24Å; P228-N268 WeakPolarHBondContact CD-O 3.45Å; P228-I270 HydrophobicContact CB-CD1 4.05Å
229G88.6Confident80.6Confident0 Ų051.1 Ų51.10%030%0.301CS..SBendtrans175.3170-175.600000112.1I200 A227 E233 V236I200-G229 VanDerWaalsContact CD1-C 3.4Å; I200-G229 WeakPolarHBondContact CD1-O 3.34Å; A227-G229 WeakPolarHBondContact CB-O 3.08Å; A227-G229 PolarHBondContact O-N 3.21Å; G229-E233 VanDerWaalsContact CA-OE2 3.26Å; G229-E233 WeakPolarHBondContact CA-OE2 3.23Å; G229-V236 VanDerWaalsContact CA-CG2 3.49Å; G229-V236 WeakPolarHBondContact O-CG1 3.42Å
230E81.7Confident79.8Confident26 Ų2645.1 Ų45.112%0.12127%0.272CS..  trans-73.9156.2178.5-72.5-160-157.300113.2I200 G232 E233 I247 Y249 R294I200-E230 HydrophobicContact CD1-CB 4.27Å; I200-E230 HydrophobicContact CD1-CG 3.73Å; E230-G232 PolarHBondContact O-N 2.91Å; E230-G232 VanDerWaalsContact O-N 3.16Å; E230-E233 HydrophobicContact CB-CG 4.28Å; E230-E233 PolarHBondContact N-OE2 2.9Å; E230-E233 WeakPolarHBondContact O-CB 3.41Å; E230-E233 PolarHBondContact O-N 2.9Å; E230-E233 VanDerWaalsContact O-N 3.12Å; E230-I247 VanDerWaalsContact CD-CD1 3.46Å; E230-I247 HydrophobicContact CG-CD1 4.1Å; E230-I247 VanDerWaalsContact OE2-CD1 3.23Å; E230-I247 WeakPolarHBondContact OE2-CD1 3.42Å; E230-Y249 PolarHBondContact OE1-OH 2.87Å; E230-R294 IonicContact OE1-CZ 3.17Å; E230-R294 IonicContact OE1-NH1 2.82Å; E230-R294 PolarHBondContact OE1-NH1 2.78Å; E230-R294 IonicContact OE1-NH2 2.78Å; E230-R294 PolarHBondContact OE1-NH2 2.79Å; E230-R294 IonicContact OE2-NH1 3.22Å; E230-R294 PolarHBondContact OE2-NH1 3.29Å
231V71.4Confident79.4Confident66 Ų6644.2 Ų44.240%0.426%0.261SS..THydrogen-bonded Turntrans-64.1118.8177.1176.30000109.3M240V231-M240 HydrophobicContact CG2-CB 4.14Å; V231-M240 HydrophobicContact CG2-CE 4Å; V231-M240 HydrophobicContact CG2-CG 4.4Å
232G67Low78.6Confident76 Ų7644.6 Ų44.678%0.78428%0.278SS*.THydrogen-bonded Turntrans110-14.6-178.300000113.5E230E230-G232 PolarHBondContact O-N 2.91Å; E230-G232 VanDerWaalsContact O-N 3.16Å
233E68.5Low78Confident90 Ų9047 Ų4742%0.42130%0.295SS..SBendtrans-72.5145.2171.8-66.6176.5175.100111.1G229 E230 G235 V236G229-E233 VanDerWaalsContact CA-OE2 3.26Å; G229-E233 WeakPolarHBondContact CA-OE2 3.23Å; E230-E233 HydrophobicContact CB-CG 4.28Å; E230-E233 PolarHBondContact N-OE2 2.9Å; E230-E233 WeakPolarHBondContact O-CB 3.41Å; E230-E233 PolarHBondContact O-N 2.9Å; E230-E233 VanDerWaalsContact O-N 3.12Å; E233-G235 PolarHBondContact O-N 2.9Å; E233-V236 HydrophobicContact CB-CG2 3.89Å; E233-V236 PolarHBondContact O-N 3.45Å; E233-V236 VanDerWaalsContact O-N 3.17Å
234T64Low77.6Confident154 Ų15446.6 Ų46.695%0.94529%0.294SS*.THydrogen-bonded Turntrans-57.4127.8179-530000110.8
235G61.5Low77.3Confident50 Ų5050.1 Ų50.152%0.51531%0.311SS..THydrogen-bonded Turntrans89-9.5179.100000115.2E233 I237E233-G235 PolarHBondContact O-N 2.9Å; G235-I237 PolarHBondContact O-N 3.12Å; G235-I237 VanDerWaalsContact O-N 3.11Å
236V64.4Low77.3Confident29 Ų2949.1 Ų49.118%0.17631%0.306CS..  trans-84.785.5176-174.10000110.1G229 E233G229-V236 VanDerWaalsContact CA-CG2 3.49Å; G229-V236 WeakPolarHBondContact O-CG1 3.42Å; E233-V236 HydrophobicContact CB-CG2 3.89Å; E233-V236 PolarHBondContact O-N 3.45Å; E233-V236 VanDerWaalsContact O-N 3.17Å
237I59.4Low77.3Confident69 Ų6949.1 Ų49.135%0.35431%0.306SS..  trans-73.4-41.7-179.1-58171.6000111.1D155 G235D155-I237 WeakPolarHBondContact O-CG2 3.36Å; G235-I237 PolarHBondContact O-N 3.12Å; G235-I237 VanDerWaalsContact O-N 3.11Å
238S61.7Low77.5Confident15 Ų1549.1 Ų49.111%0.10531%0.306CS..SBendtrans-163146.5-172.1169.60000111.1
239G63.9Low77.7Confident24 Ų2449.1 Ų49.125%0.24730%0.302CS..SBendtrans160.9-18.7165.400000113.8
240M76.2Confident78.2Confident14 Ų1449.1 Ų49.17%0.06930%0.302CS..SBendtrans-125.2148172.9175.2159.650.900111.4I200 G202 V231 A244 I247I200-M240 HydrophobicContact CD1-CE 3.47Å; I200-M240 VanDerWaalsContact CD1-CE 3.47Å; G202-M240 WeakPolarHBondContact CA-SD 3.32Å; V231-M240 HydrophobicContact CG2-CB 4.14Å; V231-M240 HydrophobicContact CG2-CE 4Å; V231-M240 HydrophobicContact CG2-CG 4.4Å; M240-A244 HydrophobicContact CG-CB 3.62Å; M240-A244 HydrophobicContact SD-CB 3.77Å; M240-I247 HydrophobicContact CE-CD1 3.93Å; M240-I247 HydrophobicContact CE-CG1 4.06Å; M240-I247 HydrophobicContact CE-CG2 4.44Å; M240-I247 HydrophobicContact SD-CD1 4.39Å; M240-I247 HydrophobicContact SD-CG1 3.89Å
241R80.6Confident79Confident139 Ų13950 Ų5053%0.52531%0.308SS..  trans-74.2138172.5-67.2179.1179.4179.30.4108.9Y204 S243 A244Y204-R241 WeakPolarHBondContact OH-CD 3.24Å; Y204-R241 PolarHBondContact OH-NH1 2.83Å; R241-S243 PolarHBondContact O-N 3.32Å; R241-S243 VanDerWaalsContact O-N 3.08Å; R241-A244 VanDerWaalsContact O-CB 3.24Å; R241-A244 WeakPolarHBondContact O-CB 3.3Å; R241-A244 PolarHBondContact O-N 3.08Å
242S76.8Confident80.3Confident97 Ų9747 Ų4768%0.67829%0.289SS*.THydrogen-bonded Turntrans-58.6-22.1173.952.40000113.1R291S242-R291 PolarHBondContact O-NH1 2.9Å
243S82.7Confident81.8Confident68 Ų6846.6 Ų46.648%0.47627%0.269SS..THydrogen-bonded Turntrans-89.93.1174.4590000115Y204 R241 E245Y204-S243 WeakPolarHBondContact CE1-O 3.19Å; Y204-S243 PolarHBondContact OH-OG 3.25Å; R241-S243 PolarHBondContact O-N 3.32Å; R241-S243 VanDerWaalsContact O-N 3.08Å; S243-E245 PolarHBondContact O-N 2.83Å
244A88.9Confident83.2Confident5 Ų546.1 Ų46.14%0.04127%0.265CS..  trans-61.6135.1174.900000110.2M240 R241 R291M240-A244 HydrophobicContact CG-CB 3.62Å; M240-A244 HydrophobicContact SD-CB 3.77Å; R241-A244 VanDerWaalsContact O-CB 3.24Å; R241-A244 WeakPolarHBondContact O-CB 3.3Å; R241-A244 PolarHBondContact O-N 3.08Å; A244-R291 WeakPolarHBondContact O-CD 3.37Å
245E91.6Very high84.8Confident77 Ų7738.8 Ų38.836%0.3622%0.22SC..  trans-100.1-28.3-175.7-60.8168.6120.300111.4T203 Y204 F205 S243 R291T203-E245 PolarHBondContact O-N 2.72Å; Y204-E245 VanDerWaalsContact CA-OE2 3.23Å; Y204-E245 WeakPolarHBondContact CA-OE2 3.39Å; Y204-E245 VanDerWaalsContact CB-OE2 3.27Å; Y204-E245 WeakPolarHBondContact CB-OE2 3.44Å; Y204-E245 HydrophobicContact CD1-CG 4.21Å; Y204-E245 WeakPolarHBondContact CD1-OE2 3.38Å; F205-E245 HydrophobicContact CD2-CB 3.68Å; F205-E245 HydrophobicContact CD2-CG 4.27Å; F205-E245 HydrophobicContact CE2-CB 3.91Å; F205-E245 PolarHBondContact N-OE2 3.37Å; S243-E245 PolarHBondContact O-N 2.83Å; E245-R291 WeakPolarHBondContact O-CB 3.23Å; E245-R291 PolarHBondContact O-N 2.68Å
246I94.6Very high86.6Confident0 Ų038.3 Ų38.30%021%0.205CC..EExtended strand (participates in β ladder)trans-123.3138.4179.3-62.1176000109.3G202 T203 F205 W208 I248 Y289 L297G202-I246 WeakPolarHBondContact CA-O 3.26Å; T203-I246 HydrophobicContact CG2-CB 3.83Å; T203-I246 HydrophobicContact CG2-CG2 4.05Å; T203-I246 PolarHBondContact N-O 3.46Å; T203-I246 PolarHBondContact O-N 2.75Å; T203-I246 VanDerWaalsContact O-N 3.12Å; F205-I246 HydrophobicContact CD1-CD1 3.61Å; F205-I246 HydrophobicContact CD1-CG1 4.1Å; F205-I246 HydrophobicContact CE1-CD1 3.79Å; F205-I246 HydrophobicContact CE1-CG1 3.96Å; F205-I246 HydrophobicContact CE2-CG1 4.46Å; F205-I246 HydrophobicContact CG-CD1 4.13Å; F205-I246 HydrophobicContact CG-CG1 4.38Å; F205-I246 HydrophobicContact CZ-CD1 4.46Å; F205-I246 HydrophobicContact CZ-CG1 4.14Å; W208-I246 HydrophobicContact CB-CD1 3.51Å; W208-I246 HydrophobicContact CD2-CD1 3.87Å; W208-I246 HydrophobicContact CE3-CD1 4.37Å; W208-I246 HydrophobicContact CE3-CG2 4.31Å; W208-I246 HydrophobicContact CG-CD1 3.48Å; W208-I246 VanDerWaalsContact CG-CD1 3.48Å; I246-I248 HydrophobicContact CG2-CG1 4.09Å; I246-Y289 CarbonylContact C-O 3.53Å; I246-Y289 VanDerWaalsContact CA-O 3.31Å; I246-Y289 WeakPolarHBondContact CA-O 3.28Å; I246-L297 HydrophobicContact CB-CD1 4.47Å; I246-L297 HydrophobicContact CD1-CD1 3.81Å; I246-L297 HydrophobicContact CG1-CD1 3.85Å; I246-L297 HydrophobicContact CG2-CD1 3.88Å
247I94.8Very high88.2Confident0 Ų042.8 Ų42.80%023%0.228CC..EExtended strand (participates in β ladder)trans-115.4121.8174.4-52.1178.6000108.1I200 E230 M240 Y249 A288 Y289 R291I200-I247 HydrophobicContact CB-CG2 3.86Å; I200-I247 HydrophobicContact CD1-CG2 3.86Å; I200-I247 HydrophobicContact CG1-CG2 4.45Å; I200-I247 HydrophobicContact CG2-CG2 3.99Å; E230-I247 VanDerWaalsContact CD-CD1 3.46Å; E230-I247 HydrophobicContact CG-CD1 4.1Å; E230-I247 VanDerWaalsContact OE2-CD1 3.23Å; E230-I247 WeakPolarHBondContact OE2-CD1 3.42Å; M240-I247 HydrophobicContact CE-CD1 3.93Å; M240-I247 HydrophobicContact CE-CG1 4.06Å; M240-I247 HydrophobicContact CE-CG2 4.44Å; M240-I247 HydrophobicContact SD-CD1 4.39Å; M240-I247 HydrophobicContact SD-CG1 3.89Å; I247-Y249 HydrophobicContact CG2-CD2 4.25Å; I247-Y249 HydrophobicContact CG2-CE2 3.93Å; I247-A288 CarbonylContact O-C 3.59Å; I247-A288 VanDerWaalsContact O-CA 3.27Å; I247-A288 WeakPolarHBondContact O-CA 3.5Å; I247-Y289 PolarHBondContact N-O 3.02Å; I247-Y289 PolarHBondContact O-N 2.78Å; I247-R291 HydrophobicContact CD1-CB 4.33Å; I247-R291 HydrophobicContact CD1-CG 3.96Å; I247-R291 HydrophobicContact CG1-CB 4.42Å
248I97.4Very high90Very high0 Ų043.8 Ų43.80%023%0.234CC..EExtended strand (participates in β ladder)trans-106.9121.4177.5-56.2165.2000107.8I200 H201 T203 W208 I211 L216 I246 I250 F285 A288I200-I248 CarbonylContact C-O 3.56Å; I200-I248 WeakPolarHBondContact CA-O 3.11Å; H201-I248 HydrophobicContact CB-CB 4.44Å; H201-I248 PolarHBondContact N-O 3.06Å; H201-I248 PolarHBondContact O-N 2.8Å; T203-I248 HydrophobicContact CG2-CD1 3.97Å; W208-I248 HydrophobicContact CE3-CD1 4.19Å; W208-I248 HydrophobicContact CH2-CG1 4.4Å; W208-I248 HydrophobicContact CZ3-CD1 3.64Å; W208-I248 HydrophobicContact CZ3-CG1 3.78Å; I211-I248 HydrophobicContact CG2-CD1 3.66Å; L216-I248 HydrophobicContact CD1-CD1 4.45Å; L216-I248 HydrophobicContact CD2-CD1 3.99Å; L216-I248 HydrophobicContact CG-CD1 4.43Å; I246-I248 HydrophobicContact CG2-CG1 4.09Å; I248-I250 HydrophobicContact CG2-CD1 4.01Å; I248-F285 HydrophobicContact CG2-CB 4.22Å; I248-F285 HydrophobicContact CG2-CD1 3.9Å; I248-F285 HydrophobicContact CG2-CD2 3.77Å; I248-F285 HydrophobicContact CG2-CE1 4.26Å; I248-F285 HydrophobicContact CG2-CE2 4.11Å; I248-F285 HydrophobicContact CG2-CG 3.68Å; I248-F285 HydrophobicContact CG2-CZ 4.37Å; I248-A288 HydrophobicContact CG1-CB 4.32Å
249Y97.1Very high91.7Very high33 Ų3345.9 Ų45.913%0.12926%0.259CS..EExtended strand (participates in β ladder)trans-88.3133.6173.7-75.5-103.2000110.1T198 I200 E230 I247 F285 R286 A287 Y289 R294T198-Y249 HydrophobicContact CG2-CD1 4.27Å; T198-Y249 HydrophobicContact CG2-CE1 3.85Å; I200-Y249 HydrophobicContact CG2-CD1 3.55Å; I200-Y249 HydrophobicContact CG2-CD2 4.12Å; I200-Y249 HydrophobicContact CG2-CE1 3.64Å; I200-Y249 HydrophobicContact CG2-CE2 4.19Å; I200-Y249 HydrophobicContact CG2-CG 3.83Å; E230-Y249 PolarHBondContact OE1-OH 2.87Å; I247-Y249 HydrophobicContact CG2-CD2 4.25Å; I247-Y249 HydrophobicContact CG2-CE2 3.93Å; Y249-F285 CarbonylContact O-C 3.51Å; Y249-F285 WeakPolarHBondContact O-CA 3.43Å; Y249-R286 PolarHBondContact O-N 3.25Å; Y249-A287 PolarHBondContact N-O 2.69Å; Y249-Y289 AromaticContact CD2-CD2 3.76Å; Y249-Y289 HydrophobicContact CD2-CD2 3.76Å; Y249-Y289 AromaticContact CD2-CE2 3.78Å; Y249-Y289 HydrophobicContact CD2-CE2 3.78Å; Y249-Y289 AromaticContact CE2-CD2 3.54Å; Y249-Y289 HydrophobicContact CE2-CD2 3.54Å; Y249-Y289 AromaticContact CE2-CE2 3.68Å; Y249-Y289 HydrophobicContact CE2-CE2 3.68Å; Y249-R294 PolarHBondContact OH-NH2 2.79Å
250I98.1Very high93.4Very high0 Ų046.3 Ų46.30%025%0.253CS..EExtended strand (participates in β ladder)trans-102.2139-179.9-53-55.5000109.7V199 L216 F226 I248 L252 F262 L280 Y284 F285V199-I250 HydrophobicContact CB-CB 4.21Å; V199-I250 HydrophobicContact CG1-CB 4.12Å; V199-I250 HydrophobicContact CG1-CG1 4.32Å; V199-I250 PolarHBondContact O-N 2.99Å; L216-I250 HydrophobicContact CD1-CD1 4.01Å; F226-I250 HydrophobicContact CD1-CD1 4.44Å; F226-I250 HydrophobicContact CD1-CG1 3.69Å; F226-I250 HydrophobicContact CE1-CD1 3.86Å; F226-I250 HydrophobicContact CE1-CG1 3.5Å; F226-I250 VanDerWaalsContact CE1-CG1 3.5Å; F226-I250 HydrophobicContact CZ-CG1 4.44Å; I248-I250 HydrophobicContact CG2-CD1 4.01Å; I250-L252 PolarHBondContact O-N 3.13Å; I250-F262 HydrophobicContact CG2-CZ 4.39Å; I250-L280 HydrophobicContact CD1-CD2 4.02Å; I250-L280 HydrophobicContact CG1-CD2 4.42Å; I250-L280 HydrophobicContact CG2-CD2 3.91Å; I250-Y284 CarbonylContact C-O 3.54Å; I250-Y284 WeakPolarHBondContact CA-O 3.3Å; I250-F285 HydrophobicContact CD1-CD1 3.64Å; I250-F285 HydrophobicContact CD1-CE1 3.94Å
251D98.1Very high94.4Very high44 Ų4451.8 Ų51.824%0.23528%0.276CS..  trans-84.884.2167.5-163.15000110.4I253 K254 A255 Y284 R286D251-I253 PolarHBondContact O-N 3.23Å; D251-K254 HydrophobicContact CB-CB 4.13Å; D251-K254 PolarHBondContact O-N 2.92Å; D251-K254 WeakPolarHBondContact OD2-CB 3.49Å; D251-A255 PolarHBondContact O-N 2.71Å; D251-A255 VanDerWaalsContact O-N 3.07Å; D251-Y284 PolarHBondContact N-O 3.44Å; D251-R286 HydrophobicContact CB-CB 4.28Å; D251-R286 IonicContact OD1-CZ 3.85Å; D251-R286 IonicContact OD1-NE 3.86Å; D251-R286 IonicContact OD1-NH2 2.96Å; D251-R286 PolarHBondContact OD1-NH2 2.85Å
252L98.3Very high95.3Very high3 Ų345.2 Ų45.22%0.01625%0.252CS..Hα-helixtrans-59.6-47.4-173.4-177.568.1000112.3I190 P193 V199 I250 K254 A255 I256 F262I190-L252 HydrophobicContact CG2-CD2 4.46Å; P193-L252 HydrophobicContact CB-CD2 3.8Å; P193-L252 HydrophobicContact CB-CG 4Å; V199-L252 HydrophobicContact CG2-CB 4Å; V199-L252 HydrophobicContact CG2-CD1 4.38Å; V199-L252 HydrophobicContact CG2-CD2 3.86Å; V199-L252 HydrophobicContact CG2-CG 4.29Å; I250-L252 PolarHBondContact O-N 3.13Å; L252-K254 VanDerWaalsContact C-N 3.34Å; L252-K254 PolarHBondContact O-N 3Å; L252-A255 PolarHBondContact O-N 3.24Å; L252-I256 HydrophobicContact CD1-CD1 4.04Å; L252-I256 HydrophobicContact CD1-CG1 4.25Å; L252-I256 HydrophobicContact CG-CD1 4.05Å; L252-I256 HydrophobicContact CG-CG1 4.46Å; L252-I256 WeakPolarHBondContact O-CG1 3.36Å; L252-I256 PolarHBondContact O-N 2.76Å; L252-F262 HydrophobicContact CD1-CB 3.92Å; L252-F262 HydrophobicContact CD1-CD1 3.57Å; L252-F262 HydrophobicContact CD1-CD2 3.65Å; L252-F262 HydrophobicContact CD1-CE1 3.91Å; L252-F262 HydrophobicContact CD1-CE2 4Å; L252-F262 HydrophobicContact CD1-CG 3.43Å; L252-F262 VanDerWaalsContact CD1-CG 3.43Å; L252-F262 HydrophobicContact CD1-CZ 4.11Å
253I98.3Very high96.2Very high68 Ų6842.6 Ų42.635%0.34923%0.227SC..Hα-helixtrans-57.2-49.7-178.2-64.2170.3000110P193 D251 A255 I256 N257P193-I253 HydrophobicContact CB-CG1 3.74Å; P193-I253 HydrophobicContact CG-CG1 3.86Å; D251-I253 PolarHBondContact O-N 3.23Å; I253-A255 PolarHBondContact O-N 3.08Å; I253-I256 PolarHBondContact O-N 3.41Å; I253-N257 WeakPolarHBondContact O-CB 3.43Å; I253-N257 VanDerWaalsContact O-CG 3.23Å; I253-N257 PolarHBondContact O-N 3.47Å; I253-N257 PolarHBondContact O-ND2 2.9Å
254K98.2Very high96.8Very high79 Ų7940.3 Ų40.334%0.34321%0.209SC..Hα-helixtrans-60.9-43.9178.6-174.4-177.3178.3-174.70112D251 L252 N257 D258 T283 Y284D251-K254 HydrophobicContact CB-CB 4.13Å; D251-K254 PolarHBondContact O-N 2.92Å; D251-K254 WeakPolarHBondContact OD2-CB 3.49Å; L252-K254 VanDerWaalsContact C-N 3.34Å; L252-K254 PolarHBondContact O-N 3Å; K254-N257 PolarHBondContact O-N 3.16Å; K254-D258 WeakPolarHBondContact O-CB 3.46Å; K254-D258 PolarHBondContact O-N 2.88Å; K254-T283 PolarHBondContact NZ-O 3.07Å; K254-Y284 HydrophobicContact CB-CD1 4.47Å; K254-Y284 HydrophobicContact CD-CD1 4.28Å; K254-Y284 HydrophobicContact CG-CD1 4.11Å; K254-Y284 HydrophobicContact CG-CE1 4.13Å
255A98.5Very high97Very high0 Ų040.2 Ų40.20%021%0.208CC..Hα-helixtrans-63.9-42.618000000112.2D251 L252 I253 D258 G259 Y260 F262 L280 Y284D251-A255 PolarHBondContact O-N 2.71Å; D251-A255 VanDerWaalsContact O-N 3.07Å; L252-A255 PolarHBondContact O-N 3.24Å; I253-A255 PolarHBondContact O-N 3.08Å; A255-D258 PolarHBondContact O-N 3.01Å; A255-G259 PolarHBondContact O-N 3.07Å; A255-Y260 WeakPolarHBondContact O-CB 3.11Å; A255-Y260 WeakPolarHBondContact O-CD2 3.36Å; A255-Y260 PolarHBondContact O-N 3.17Å; A255-F262 HydrophobicContact CB-CE2 3.63Å; A255-F262 HydrophobicContact CB-CZ 4.07Å; A255-L280 HydrophobicContact CB-CD1 4.38Å; A255-Y284 HydrophobicContact CB-CD1 3.66Å; A255-Y284 HydrophobicContact CB-CE1 4.2Å; A255-Y284 HydrophobicContact CB-CG 3.95Å
256I98.3Very high96.8Very high41 Ų4141.5 Ų41.521%0.2121%0.213CC..Hα-helixtrans-65.8-43.6176.6-68.1-175.5000111.3I190 P193 L252 I253 D258 G259 Y260 F262I190-I256 HydrophobicContact CG2-CD1 4.27Å; P193-I256 HydrophobicContact CB-CD1 4.08Å; L252-I256 HydrophobicContact CD1-CD1 4.04Å; L252-I256 HydrophobicContact CD1-CG1 4.25Å; L252-I256 HydrophobicContact CG-CD1 4.05Å; L252-I256 HydrophobicContact CG-CG1 4.46Å; L252-I256 WeakPolarHBondContact O-CG1 3.36Å; L252-I256 PolarHBondContact O-N 2.76Å; I253-I256 PolarHBondContact O-N 3.41Å; I256-D258 PolarHBondContact O-N 2.72Å; I256-G259 WeakPolarHBondContact O-CA 3.46Å; I256-G259 PolarHBondContact O-N 2.89Å; I256-Y260 WeakPolarHBondContact CA-O 3.22Å; I256-F262 HydrophobicContact CD1-CB 4.47Å; I256-F262 HydrophobicContact CD1-CD2 4.48Å; I256-F262 HydrophobicContact CG1-CD2 3.88Å
257N97.8Very high96.4Very high122 Ų12241.6 Ų41.665%0.65221%0.213SC*.Hα-helixtrans-60.6-33.1176.7-72.7-14.3000112.5I253 K254 G259I253-N257 WeakPolarHBondContact O-CB 3.43Å; I253-N257 VanDerWaalsContact O-CG 3.23Å; I253-N257 PolarHBondContact O-N 3.47Å; I253-N257 PolarHBondContact O-ND2 2.9Å; K254-N257 PolarHBondContact O-N 3.16Å; N257-G259 PolarHBondContact O-N 2.71Å
258D98.1Very high96.1Very high90 Ų9044.8 Ų44.848%0.48123%0.23SC..THydrogen-bonded Turntrans-82.16.3174.4-742.1000113.3K254 A255 I256 Y260 Y284K254-D258 WeakPolarHBondContact O-CB 3.46Å; K254-D258 PolarHBondContact O-N 2.88Å; A255-D258 PolarHBondContact O-N 3.01Å; I256-D258 PolarHBondContact O-N 2.72Å; D258-Y260 HydrophobicContact CB-CD2 4.47Å; D258-Y284 HydrophobicContact CB-CE1 3.93Å; D258-Y284 VanDerWaalsContact CB-OH 3.29Å; D258-Y284 WeakPolarHBondContact CB-OH 3.43Å; D258-Y284 WeakPolarHBondContact OD2-CE1 3.24Å; D258-Y284 PolarHBondContact OD2-OH 3.49Å
259G97.5Very high95.9Very high60 Ų6044.9 Ų44.962%0.61923%0.231SC*.THydrogen-bonded Turntrans94.25.8171.600000116A255 I256 N257A255-G259 PolarHBondContact O-N 3.07Å; I256-G259 WeakPolarHBondContact O-CA 3.46Å; I256-G259 PolarHBondContact O-N 2.89Å; N257-G259 PolarHBondContact O-N 2.71Å
260Y98.5Very high95.8Very high32 Ų3243.3 Ų43.313%0.12523%0.225CC..  trans-72.7133.8172.6-70.5-101.9000110.3A255 I256 D258 N275 L280 P281 Y284A255-Y260 WeakPolarHBondContact O-CB 3.11Å; A255-Y260 WeakPolarHBondContact O-CD2 3.36Å; A255-Y260 PolarHBondContact O-N 3.17Å; I256-Y260 WeakPolarHBondContact CA-O 3.22Å; D258-Y260 HydrophobicContact CB-CD2 4.47Å; Y260-N275 HydrophobicContact CE1-CB 4.03Å; Y260-L280 HydrophobicContact CD1-CD1 3.72Å; Y260-L280 HydrophobicContact CE1-CD1 3.83Å; Y260-L280 HydrophobicContact CG-CD1 4.13Å; Y260-P281 WeakPolarHBondContact OH-CD 3.48Å; Y260-P281 WeakPolarHBondContact OH-CG 3.36Å; Y260-Y284 HydrophobicContact CD2-CE2 4.04Å; Y260-Y284 AromaticContact CD2-CZ 3.98Å; Y260-Y284 HydrophobicContact CE2-CD2 4.25Å; Y260-Y284 HydrophobicContact CE2-CE1 4.45Å; Y260-Y284 AromaticContact CE2-CE2 3.32Å; Y260-Y284 HydrophobicContact CE2-CE2 3.32Å; Y260-Y284 AromaticContact CE2-CZ 3.46Å; Y260-Y284 VanDerWaalsContact CE2-CZ 3.46Å; Y260-Y284 WeakPolarHBondContact CE2-OH 3.44Å; Y260-Y284 AromaticContact CZ-CE2 3.65Å
261K98.2Very high95.7Very high130 Ų13043.3 Ų43.357%0.56523%0.225SC*.  trans-90.4130.8174-63.1-178.5-176.8177.50110.1L189 Y263 C272L189-K261 HydrophobicContact CD1-CB 4.06Å; L189-K261 HydrophobicContact CD1-CG 4.3Å; K261-Y263 HydrophobicContact CB-CE2 3.81Å; K261-Y263 WeakPolarHBondContact CD-OH 3.29Å; K261-C272 PolarHBondContact O-SG 3.11Å; K261-C272 VanDerWaalsContact O-SG 3.32Å
262F98.5Very high95.7Very high1 Ų141.2 Ų41.20%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-117.4141.1170.6-74.2-103.8000109.2I190 F226 I250 L252 A255 I256 I270 L271 C272 L280I190-F262 HydrophobicContact CB-CB 4.47Å; I190-F262 HydrophobicContact CD1-CB 4.08Å; I190-F262 PolarHBondContact N-O 2.86Å; F226-F262 HydrophobicContact CD2-CD1 4.5Å; F226-F262 HydrophobicContact CD2-CE1 4.12Å; F226-F262 HydrophobicContact CE2-CD1 4.43Å; F226-F262 AromaticContact CE2-CE1 3.76Å; F226-F262 HydrophobicContact CE2-CE1 3.76Å; F226-F262 HydrophobicContact CZ-CE1 4.26Å; I250-F262 HydrophobicContact CG2-CZ 4.39Å; L252-F262 HydrophobicContact CD1-CB 3.92Å; L252-F262 HydrophobicContact CD1-CD1 3.57Å; L252-F262 HydrophobicContact CD1-CD2 3.65Å; L252-F262 HydrophobicContact CD1-CE1 3.91Å; L252-F262 HydrophobicContact CD1-CE2 4Å; L252-F262 HydrophobicContact CD1-CG 3.43Å; L252-F262 VanDerWaalsContact CD1-CG 3.43Å; L252-F262 HydrophobicContact CD1-CZ 4.11Å; A255-F262 HydrophobicContact CB-CE2 3.63Å; A255-F262 HydrophobicContact CB-CZ 4.07Å; I256-F262 HydrophobicContact CD1-CB 4.47Å; I256-F262 HydrophobicContact CD1-CD2 4.48Å; I256-F262 HydrophobicContact CG1-CD2 3.88Å; F262-I270 HydrophobicContact CB-CG2 4.44Å; F262-I270 HydrophobicContact CD1-CG2 3.71Å; F262-L271 CarbonylContact C-O 3.58Å; F262-L271 VanDerWaalsContact CA-O 3.3Å; F262-L271 WeakPolarHBondContact CA-O 3.47Å; F262-C272 HydrophobicContact CD1-CB 3.79Å; F262-C272 HydrophobicContact CE1-CB 3.61Å; F262-C272 HydrophobicContact CE2-CB 4.42Å; F262-C272 HydrophobicContact CG-CB 4.3Å; F262-C272 HydrophobicContact CZ-CB 3.95Å; F262-L280 HydrophobicContact CZ-CD1 4.24Å; F262-L280 HydrophobicContact CZ-CD2 4.09Å
263Y97.4Very high95.7Very high42 Ų4245.9 Ų45.917%0.16524%0.235CC..EExtended strand (participates in β ladder)trans-123.3152.1179.6-54.4-94.5000110I187 A188 L189 K261 I270 L271I187-Y263 HydrophobicContact CD1-CD1 4.05Å; I187-Y263 HydrophobicContact CD1-CD2 4.34Å; I187-Y263 HydrophobicContact CD1-CG 3.86Å; I187-Y263 HydrophobicContact CG1-CD1 4.21Å; I187-Y263 HydrophobicContact CG1-CG 4.37Å; A188-Y263 CarbonylContact O-C 3.59Å; A188-Y263 WeakPolarHBondContact O-CA 3.3Å; A188-Y263 WeakPolarHBondContact O-CB 3.37Å; L189-Y263 HydrophobicContact CB-CD1 4.28Å; L189-Y263 HydrophobicContact CB-CE1 4.3Å; L189-Y263 HydrophobicContact CD1-CD1 4.12Å; L189-Y263 HydrophobicContact CD1-CE1 3.75Å; K261-Y263 HydrophobicContact CB-CE2 3.81Å; K261-Y263 WeakPolarHBondContact CD-OH 3.29Å; Y263-I270 CarbonylContact O-C 3.58Å; Y263-I270 VanDerWaalsContact O-CA 3.26Å; Y263-I270 WeakPolarHBondContact O-CA 3.46Å; Y263-L271 PolarHBondContact N-O 2.84Å; Y263-L271 PolarHBondContact O-N 2.81Å
264I94.9Very high95.7Very high19 Ų1943.5 Ų43.510%0.09723%0.227CC..EExtended strand (participates in β ladder)trans-110.5133.7169.9-169.569.3000109.2I187 A188 I190 Y196 I270I187-I264 WeakPolarHBondContact CA-O 3.31Å; A188-I264 HydrophobicContact CB-CG2 3.95Å; A188-I264 PolarHBondContact N-O 2.97Å; A188-I264 PolarHBondContact O-N 3.07Å; I190-I264 HydrophobicContact CD1-CB 4.28Å; I190-I264 HydrophobicContact CG1-CB 4.14Å; I190-I264 HydrophobicContact CG1-CG2 4.39Å; Y196-I264 HydrophobicContact CE1-CD1 3.73Å; Y196-I264 HydrophobicContact CE1-CG1 4.1Å; Y196-I264 WeakPolarHBondContact OH-CG1 3.39Å; I264-I270 HydrophobicContact CD1-CG1 3.61Å
265S92.1Very high95.6Very high3 Ų342.4 Ų42.42%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-93.8162173.557.90000111.7N267 N268 V269S265-N267 PolarHBondContact O-N 2.87Å; S265-N267 PolarHBondContact OG-OD1 2.8Å; S265-N267 VanDerWaalsContact OG-OD1 3.08Å; S265-N268 PolarHBondContact O-N 2.86Å; S265-V269 PolarHBondContact N-O 2.94Å; S265-V269 WeakPolarHBondContact OG-CA 3.27Å; S265-V269 WeakPolarHBondContact OG-CB 3.42Å; S265-V269 PolarHBondContact OG-N 3.29Å; S265-V269 VanDerWaalsContact OG-N 3.13Å; S265-V269 PolarHBondContact OG-O 3.35Å
266K88.4Confident95.5Very high104 Ų10451.6 Ų51.645%0.45227%0.265SS..THydrogen-bonded Turntrans-52-24.7176-84.6-176.5157.8170.60115.8E160 Y175 D186E160-K266 IonicContact OE1-NZ 3.03Å; E160-K266 PolarHBondContact OE1-NZ 2.96Å; Y175-K266 HydrophobicContact CD1-CB 3.73Å; Y175-K266 HydrophobicContact CD1-CD 4.06Å; Y175-K266 HydrophobicContact CD1-CG 4.4Å; Y175-K266 HydrophobicContact CD2-CB 4.49Å; Y175-K266 HydrophobicContact CE1-CB 3.63Å; Y175-K266 HydrophobicContact CE1-CD 3.47Å; Y175-K266 VanDerWaalsContact CE1-CD 3.47Å; Y175-K266 HydrophobicContact CE1-CG 4.15Å; Y175-K266 HydrophobicContact CE2-CB 4.4Å; Y175-K266 HydrophobicContact CG-CB 4.17Å; D186-K266 WeakPolarHBondContact OD2-CD 3.47Å; D186-K266 WeakPolarHBondContact OD2-CE 3.14Å; D186-K266 IonicContact OD2-NZ 3.32Å; D186-K266 PolarHBondContact OD2-NZ 2.89Å
267N86.3Confident95.4Very high3 Ų356 Ų562%0.01629%0.285CS..THydrogen-bonded Turntrans-103.929.4176.773.9-29.4000113.5K156 K157 Y175 S265 V269K156-N267 PolarHBondContact O-ND2 3.35Å; K157-N267 HydrophobicContact CB-CB 4.33Å; K157-N267 WeakPolarHBondContact O-CB 3.29Å; K157-N267 PolarHBondContact O-ND2 3.39Å; Y175-N267 HydrophobicContact CD2-CB 3.86Å; Y175-N267 HydrophobicContact CE2-CB 4.28Å; S265-N267 PolarHBondContact O-N 2.87Å; S265-N267 PolarHBondContact OG-OD1 2.8Å; S265-N267 VanDerWaalsContact OG-OD1 3.08Å; N267-V269 PolarHBondContact O-N 3.37Å
268N88.9Confident95.4Very high67 Ų6750.2 Ų50.236%0.35825%0.254SS..SBendtrans58.128.4175.3-63.8-15000114.7P228 S265P228-N268 VanDerWaalsContact CD-O 3.24Å; P228-N268 WeakPolarHBondContact CD-O 3.45Å; S265-N268 PolarHBondContact O-N 2.86Å
269V91.8Very high95.4Very high1 Ų146.2 Ų46.21%0.00623%0.233CC..  trans-91125.9168.8-179.20000108.5Q176 H225 F226 S265 N267 L271Q176-V269 HydrophobicContact CG-CB 4.29Å; Q176-V269 HydrophobicContact CG-CG1 4.39Å; Q176-V269 HydrophobicContact CG-CG2 4.42Å; H225-V269 HydrophobicContact CB-CG1 4.03Å; F226-V269 WeakPolarHBondContact O-CG1 3.29Å; S265-V269 PolarHBondContact N-O 2.94Å; S265-V269 WeakPolarHBondContact OG-CA 3.27Å; S265-V269 WeakPolarHBondContact OG-CB 3.42Å; S265-V269 PolarHBondContact OG-N 3.29Å; S265-V269 VanDerWaalsContact OG-N 3.13Å; S265-V269 PolarHBondContact OG-O 3.35Å; N267-V269 PolarHBondContact O-N 3.37Å; V269-L271 HydrophobicContact CG1-CD2 3.85Å; V269-L271 HydrophobicContact CG1-CG 4.48Å
270I95.4Very high95.4Very high0 Ų043.3 Ų43.30%020%0.204CC..EExtended strand (participates in β ladder)trans-84.5137.5174.2-64.3168.9000108.5I190 Y196 V199 F226 P228 F262 Y263 I264I190-I270 HydrophobicContact CD1-CG1 4.14Å; I190-I270 HydrophobicContact CD1-CG2 4.02Å; Y196-I270 HydrophobicContact CD1-CD1 3.69Å; Y196-I270 HydrophobicContact CD1-CG1 4.27Å; Y196-I270 HydrophobicContact CE1-CD1 4.41Å; Y196-I270 HydrophobicContact CG-CD1 4.06Å; V199-I270 HydrophobicContact CB-CD1 4.42Å; V199-I270 HydrophobicContact CG1-CD1 4.14Å; V199-I270 HydrophobicContact CG1-CG2 4.23Å; V199-I270 HydrophobicContact CG2-CD1 3.65Å; F226-I270 HydrophobicContact CB-CB 4.04Å; F226-I270 HydrophobicContact CB-CG2 4.28Å; F226-I270 HydrophobicContact CD2-CG2 4.22Å; F226-I270 PolarHBondContact N-O 2.82Å; F226-I270 PolarHBondContact O-N 2.93Å; P228-I270 HydrophobicContact CB-CD1 4.05Å; F262-I270 HydrophobicContact CB-CG2 4.44Å; F262-I270 HydrophobicContact CD1-CG2 3.71Å; Y263-I270 CarbonylContact O-C 3.58Å; Y263-I270 VanDerWaalsContact O-CA 3.26Å; Y263-I270 WeakPolarHBondContact O-CA 3.46Å; I264-I270 HydrophobicContact CD1-CG1 3.61Å
271L96.8Very high95.4Very high0 Ų043.3 Ų43.30%021%0.207CC..EExtended strand (participates in β ladder)trans-131136-169.3-58.4168.8000110.2Q176 I187 H223 I224 H225 F262 Y263 V269Q176-L271 HydrophobicContact CB-CD1 4.14Å; Q176-L271 HydrophobicContact CB-CD2 4.05Å; I187-L271 HydrophobicContact CG2-CD1 3.74Å; H223-L271 HydrophobicContact CB-CB 3.99Å; H223-L271 HydrophobicContact CB-CD2 4.05Å; I224-L271 WeakPolarHBondContact O-CA 3.31Å; H225-L271 HydrophobicContact CB-CD2 4.49Å; H225-L271 WeakPolarHBondContact CD2-CD2 3.44Å; F262-L271 CarbonylContact C-O 3.58Å; F262-L271 VanDerWaalsContact CA-O 3.3Å; F262-L271 WeakPolarHBondContact CA-O 3.47Å; Y263-L271 PolarHBondContact N-O 2.84Å; Y263-L271 PolarHBondContact O-N 2.81Å; V269-L271 HydrophobicContact CG1-CD2 3.85Å; V269-L271 HydrophobicContact CG1-CG 4.48Å
272C98.2Very high95.4Very high1 Ų139 Ų391%0.00719%0.192CC..EExtended strand (participates in β ladder)trans-135.7133.2173.5-171.80000109.7H223 I224 F226 K261 F262 G274H223-C272 CarbonylContact C-O 3.59Å; H223-C272 WeakPolarHBondContact CA-O 3.33Å; I224-C272 PolarHBondContact N-O 3.36Å; I224-C272 PolarHBondContact O-N 3.29Å; F226-C272 HydrophobicContact CE2-CB 3.72Å; F226-C272 HydrophobicContact CZ-CB 4.5Å; K261-C272 PolarHBondContact O-SG 3.11Å; K261-C272 VanDerWaalsContact O-SG 3.32Å; F262-C272 HydrophobicContact CD1-CB 3.79Å; F262-C272 HydrophobicContact CE1-CB 3.61Å; F262-C272 HydrophobicContact CE2-CB 4.42Å; F262-C272 HydrophobicContact CG-CB 4.3Å; F262-C272 HydrophobicContact CZ-CB 3.95Å; C272-G274 PolarHBondContact O-N 3.4Å; C272-G274 PolarHBondContact SG-N 3.28Å; C272-G274 VanDerWaalsContact SG-N 3.36Å
273E97.6Very high95.4Very high101 Ų10143 Ų4347%0.47222%0.217SC..  trans-72-22.4174.1-62.7-171.7148.400112R218 H223 G278R218-E273 WeakPolarHBondContact CD-O 3.35Å; H223-E273 IonicContact NE2-OE1 3.25Å; E273-G278 CarbonylContact O-C 3.47Å; E273-G278 WeakPolarHBondContact O-CA 3.4Å
274G98.1Very high95.4Very high17 Ų1742 Ų4218%0.17521%0.213CC..  trans79.8-165.7-169.600000111.7C272 C279C272-G274 PolarHBondContact O-N 3.4Å; C272-G274 PolarHBondContact SG-N 3.28Å; C272-G274 VanDerWaalsContact SG-N 3.36Å; G274-C279 CarbonylContact C-O 3.51Å; G274-C279 WeakPolarHBondContact CA-O 3.05Å
275N97.4Very high95.6Very high57 Ų5741.7 Ų41.731%0.30521%0.211SC..SBendtrans-77.4-168.7174.865.316.4000111.5Y260 E277 G278 C279Y260-N275 HydrophobicContact CE1-CB 4.03Å; N275-E277 PolarHBondContact O-N 2.84Å; N275-E277 WeakPolarHBondContact OD1-CA 3.36Å; N275-E277 WeakPolarHBondContact OD1-CB 3.15Å; N275-E277 PolarHBondContact OD1-N 3.31Å; N275-G278 WeakPolarHBondContact O-CA 3.19Å; N275-G278 PolarHBondContact O-N 2.85Å; N275-G278 PolarHBondContact OD1-N 3.49Å; N275-C279 PolarHBondContact N-O 2.97Å; N275-C279 PolarHBondContact OD1-N 2.78Å; N275-C279 VanDerWaalsContact OD1-N 3.09Å; N275-C279 PolarHBondContact OD1-O 3.43Å
276K95.8Very high95.8Very high192 Ų19247 Ų4784%0.83523%0.23SC*.THydrogen-bonded Turntrans-54.1-27.1176.865174.8-173.1174.90114.7G278K276-G278 VanDerWaalsContact C-N 3.31Å
277E96Very high96.3Very high133 Ų13342.4 Ų42.462%0.62121%0.212SC*.THydrogen-bonded Turntrans-91.77.8177.4-52.6-55.614300112.4N275 C279N275-E277 PolarHBondContact O-N 2.84Å; N275-E277 WeakPolarHBondContact OD1-CA 3.36Å; N275-E277 WeakPolarHBondContact OD1-CB 3.15Å; N275-E277 PolarHBondContact OD1-N 3.31Å; E277-C279 VanDerWaalsContact C-N 3.3Å; E277-C279 PolarHBondContact O-N 3.08Å
278G97.3Very high96.8Very high1 Ų142.2 Ų42.21%0.0121%0.211CC..SBendtrans67.528.4-175.800000113.8K217 R218 E273 N275 K276K217-G278 CarbonylContact C-O 3.54Å; K217-G278 WeakPolarHBondContact CA-O 3.44Å; R218-G278 PolarHBondContact N-O 2.79Å; E273-G278 CarbonylContact O-C 3.47Å; E273-G278 WeakPolarHBondContact O-CA 3.4Å; N275-G278 WeakPolarHBondContact O-CA 3.19Å; N275-G278 PolarHBondContact O-N 2.85Å; N275-G278 PolarHBondContact OD1-N 3.49Å; K276-G278 VanDerWaalsContact C-N 3.31Å
279C98.4Very high97.2Very high6 Ų641.8 Ų41.84%0.04121%0.205CC..EExtended strand (participates in β ladder)trans-118.4141.6-174.2-167.50000112.5E214 L216 K217 G274 N275 E277E214-C279 PolarHBondContact O-SG 2.78Å; L216-C279 CarbonylContact O-C 3.54Å; L216-C279 WeakPolarHBondContact O-CA 3.48Å; L216-C279 PolarHBondContact O-SG 3.03Å; K217-C279 HydrophobicContact CG-CB 3.99Å; G274-C279 CarbonylContact C-O 3.51Å; G274-C279 WeakPolarHBondContact CA-O 3.05Å; N275-C279 PolarHBondContact N-O 2.97Å; N275-C279 PolarHBondContact OD1-N 2.78Å; N275-C279 VanDerWaalsContact OD1-N 3.09Å; N275-C279 PolarHBondContact OD1-O 3.43Å; E277-C279 VanDerWaalsContact C-N 3.3Å; E277-C279 PolarHBondContact O-N 3.08Å
280L98.6Very high97.3Very high0 Ų043.6 Ų43.60%021%0.213CC..EExtended strand (participates in β ladder)trans-102.4106.9162.7-17669.7000108.9G215 L216 I224 F226 I250 A255 Y260 F262 Y284G215-L280 CarbonylContact C-O 3.51Å; G215-L280 VanDerWaalsContact CA-O 3.28Å; G215-L280 WeakPolarHBondContact CA-O 3.39Å; L216-L280 HydrophobicContact CB-CB 4.48Å; L216-L280 PolarHBondContact N-O 2.95Å; L216-L280 PolarHBondContact O-N 3.42Å; I224-L280 HydrophobicContact CD1-CB 3.67Å; F226-L280 HydrophobicContact CE1-CD2 4.19Å; F226-L280 HydrophobicContact CZ-CD2 3.73Å; I250-L280 HydrophobicContact CD1-CD2 4.02Å; I250-L280 HydrophobicContact CG1-CD2 4.42Å; I250-L280 HydrophobicContact CG2-CD2 3.91Å; A255-L280 HydrophobicContact CB-CD1 4.38Å; Y260-L280 HydrophobicContact CD1-CD1 3.72Å; Y260-L280 HydrophobicContact CE1-CD1 3.83Å; Y260-L280 HydrophobicContact CG-CD1 4.13Å; F262-L280 HydrophobicContact CZ-CD1 4.24Å; F262-L280 HydrophobicContact CZ-CD2 4.09Å; L280-Y284 HydrophobicContact CD1-CD2 3.57Å; L280-Y284 HydrophobicContact CD1-CE2 4.34Å; L280-Y284 HydrophobicContact CD1-CG 4.01Å; L280-Y284 HydrophobicContact CG-CD2 4.17Å
281P98.1Very high96.9Very high31 Ų3146 Ų4620%0.20122%0.222CC..  trans-59.3157-178-26.834.7000114.7Y260 T283 Y284Y260-P281 WeakPolarHBondContact OH-CD 3.48Å; Y260-P281 WeakPolarHBondContact OH-CG 3.36Å; P281-T283 PolarHBondContact O-N 3.18Å; P281-T283 VanDerWaalsContact O-N 3.16Å; P281-Y284 HydrophobicContact CB-CD2 4.23Å; P281-Y284 HydrophobicContact CB-CE2 4.23Å; P281-Y284 HydrophobicContact CG-CD2 4.42Å; P281-Y284 HydrophobicContact CG-CE2 4.12Å; P281-Y284 WeakPolarHBondContact O-CD2 3.31Å; P281-Y284 PolarHBondContact O-N 3.41Å; P281-Y284 VanDerWaalsContact O-N 3.17Å
282T97.8Very high96.4Very high41 Ų4152 Ų5225%0.25225%0.254SS..G310 helixtrans-62.8-20178.455.70000113.9I211 R212 Y284 F285I211-T282 VanDerWaalsContact O-CG2 3.24Å; I211-T282 WeakPolarHBondContact O-CG2 3.36Å; R212-T282 WeakPolarHBondContact O-CG2 3.39Å; T282-Y284 PolarHBondContact O-N 3.45Å; T282-Y284 VanDerWaalsContact O-N 3.07Å; T282-F285 HydrophobicContact CG2-CD2 4.03Å; T282-F285 HydrophobicContact CG2-CE2 3.67Å; T282-F285 HydrophobicContact CG2-CZ 4.2Å; T282-F285 WeakPolarHBondContact O-CB 3.24Å; T282-F285 PolarHBondContact O-N 3.44Å
283T97.6Very high96.1Very high85 Ų8556.1 Ų56.152%0.52128%0.281SS..G310 helixtrans-57.3-20173.5-52.50000113.6K254 P281K254-T283 PolarHBondContact NZ-O 3.07Å; P281-T283 PolarHBondContact O-N 3.18Å; P281-T283 VanDerWaalsContact O-N 3.16Å
284Y98.3Very high95.8Very high20 Ų2056.7 Ų56.78%0.07828%0.279CS..G310 helixtrans-100.14.2176.1-53.8-66.5000113.2I250 D251 K254 A255 D258 Y260 L280 P281 T282 R286I250-Y284 CarbonylContact C-O 3.54Å; I250-Y284 WeakPolarHBondContact CA-O 3.3Å; D251-Y284 PolarHBondContact N-O 3.44Å; K254-Y284 HydrophobicContact CB-CD1 4.47Å; K254-Y284 HydrophobicContact CD-CD1 4.28Å; K254-Y284 HydrophobicContact CG-CD1 4.11Å; K254-Y284 HydrophobicContact CG-CE1 4.13Å; A255-Y284 HydrophobicContact CB-CD1 3.66Å; A255-Y284 HydrophobicContact CB-CE1 4.2Å; A255-Y284 HydrophobicContact CB-CG 3.95Å; D258-Y284 HydrophobicContact CB-CE1 3.93Å; D258-Y284 VanDerWaalsContact CB-OH 3.29Å; D258-Y284 WeakPolarHBondContact CB-OH 3.43Å; D258-Y284 WeakPolarHBondContact OD2-CE1 3.24Å; D258-Y284 PolarHBondContact OD2-OH 3.49Å; Y260-Y284 HydrophobicContact CD2-CE2 4.04Å; Y260-Y284 AromaticContact CD2-CZ 3.98Å; Y260-Y284 HydrophobicContact CE2-CD2 4.25Å; Y260-Y284 HydrophobicContact CE2-CE1 4.45Å; Y260-Y284 AromaticContact CE2-CE2 3.32Å; Y260-Y284 HydrophobicContact CE2-CE2 3.32Å; Y260-Y284 AromaticContact CE2-CZ 3.46Å; Y260-Y284 VanDerWaalsContact CE2-CZ 3.46Å; Y260-Y284 WeakPolarHBondContact CE2-OH 3.44Å; Y260-Y284 AromaticContact CZ-CE2 3.65Å; L280-Y284 HydrophobicContact CD1-CD2 3.57Å; L280-Y284 HydrophobicContact CD1-CE2 4.34Å; L280-Y284 HydrophobicContact CD1-CG 4.01Å; L280-Y284 HydrophobicContact CG-CD2 4.17Å; P281-Y284 HydrophobicContact CB-CD2 4.23Å; P281-Y284 HydrophobicContact CB-CE2 4.23Å; P281-Y284 HydrophobicContact CG-CD2 4.42Å; P281-Y284 HydrophobicContact CG-CE2 4.12Å; P281-Y284 WeakPolarHBondContact O-CD2 3.31Å; P281-Y284 PolarHBondContact O-N 3.41Å; P281-Y284 VanDerWaalsContact O-N 3.17Å; T282-Y284 PolarHBondContact O-N 3.45Å; T282-Y284 VanDerWaalsContact O-N 3.07Å; Y284-R286 PolarHBondContact O-N 2.82Å
285F98.3Very high95.7Very high13 Ų1360.1 Ų60.16%0.05729%0.293CS..EExtended strand (participates in β ladder)trans-83.8118.5173.9-62.5-1.3000108.5I211 L216 I248 Y249 I250 T282 L299I211-F285 HydrophobicContact CG2-CE2 3.67Å; I211-F285 HydrophobicContact CG2-CZ 3.96Å; L216-F285 HydrophobicContact CB-CZ 4.34Å; L216-F285 HydrophobicContact CD1-CE1 3.92Å; L216-F285 HydrophobicContact CD1-CZ 4.09Å; L216-F285 HydrophobicContact CG-CE1 3.97Å; L216-F285 HydrophobicContact CG-CZ 3.68Å; I248-F285 HydrophobicContact CG2-CB 4.22Å; I248-F285 HydrophobicContact CG2-CD1 3.9Å; I248-F285 HydrophobicContact CG2-CD2 3.77Å; I248-F285 HydrophobicContact CG2-CE1 4.26Å; I248-F285 HydrophobicContact CG2-CE2 4.11Å; I248-F285 HydrophobicContact CG2-CG 3.68Å; I248-F285 HydrophobicContact CG2-CZ 4.37Å; Y249-F285 CarbonylContact O-C 3.51Å; Y249-F285 WeakPolarHBondContact O-CA 3.43Å; I250-F285 HydrophobicContact CD1-CD1 3.64Å; I250-F285 HydrophobicContact CD1-CE1 3.94Å; T282-F285 HydrophobicContact CG2-CD2 4.03Å; T282-F285 HydrophobicContact CG2-CE2 3.67Å; T282-F285 HydrophobicContact CG2-CZ 4.2Å; T282-F285 WeakPolarHBondContact O-CB 3.24Å; T282-F285 PolarHBondContact O-N 3.44Å; F285-L299 HydrophobicContact CB-CD1 4.01Å; F285-L299 HydrophobicContact CB-CD2 4.13Å; F285-L299 HydrophobicContact CD2-CD2 4.39Å; F285-L299 VanDerWaalsContact O-CD1 3.31Å; F285-L299 WeakPolarHBondContact O-CD1 3.44Å
286R97.5Very high95.7Very high113 Ų11364.9 Ų64.943%0.42631%0.311SS..EExtended strand (participates in β ladder)trans-75.4-42.4176-173.9-178-66.1155.1-1.3111.2P197 Y249 D251 Y284P197-R286 PolarHBondContact O-NH1 2.98Å; Y249-R286 PolarHBondContact O-N 3.25Å; D251-R286 HydrophobicContact CB-CB 4.28Å; D251-R286 IonicContact OD1-CZ 3.85Å; D251-R286 IonicContact OD1-NE 3.86Å; D251-R286 IonicContact OD1-NH2 2.96Å; D251-R286 PolarHBondContact OD1-NH2 2.85Å; Y284-R286 PolarHBondContact O-N 2.82Å
287A97.4Very high95.8Very high8 Ų857.2 Ų57.27%0.06628%0.279CS..EExtended strand (participates in β ladder)trans-163.5161.9179.700000110.6Y249 Y289Y249-A287 PolarHBondContact N-O 2.69Å; A287-Y289 HydrophobicContact CB-CD2 4.41Å; A287-Y289 HydrophobicContact CB-CE2 3.57Å
288A97.7Very high95.8Very high0 Ų053.8 Ų53.80%027%0.27CS..EExtended strand (participates in β ladder)trans-136.1143.8166.900000110.1W208 I247 I248 L297 L299W208-A288 HydrophobicContact CH2-CB 3.29Å; W208-A288 HydrophobicContact CZ2-CB 3.63Å; W208-A288 HydrophobicContact CZ3-CB 4.15Å; I247-A288 CarbonylContact O-C 3.59Å; I247-A288 VanDerWaalsContact O-CA 3.27Å; I247-A288 WeakPolarHBondContact O-CA 3.5Å; I248-A288 HydrophobicContact CG1-CB 4.32Å; A288-L297 HydrophobicContact CB-CB 4.25Å; A288-L297 PolarHBondContact O-N 3.12Å; A288-L299 HydrophobicContact CB-CD2 3.59Å
289Y96.4Very high95.7Very high57 Ų5755.8 Ų55.822%0.22428%0.28CS..EExtended strand (participates in β ladder)trans-132.4136.7-179.9-59.7-88.6000110.3I246 I247 Y249 A287 R294 L295 K296I246-Y289 CarbonylContact C-O 3.53Å; I246-Y289 VanDerWaalsContact CA-O 3.31Å; I246-Y289 WeakPolarHBondContact CA-O 3.28Å; I247-Y289 PolarHBondContact N-O 3.02Å; I247-Y289 PolarHBondContact O-N 2.78Å; Y249-Y289 AromaticContact CD2-CD2 3.76Å; Y249-Y289 HydrophobicContact CD2-CD2 3.76Å; Y249-Y289 AromaticContact CD2-CE2 3.78Å; Y249-Y289 HydrophobicContact CD2-CE2 3.78Å; Y249-Y289 AromaticContact CE2-CD2 3.54Å; Y249-Y289 HydrophobicContact CE2-CD2 3.54Å; Y249-Y289 AromaticContact CE2-CE2 3.68Å; Y249-Y289 HydrophobicContact CE2-CE2 3.68Å; A287-Y289 HydrophobicContact CB-CD2 4.41Å; A287-Y289 HydrophobicContact CB-CE2 3.57Å; Y289-R294 HydrophobicContact CD1-CG 4.29Å; Y289-L295 CarbonylContact C-O 3.51Å; Y289-L295 VanDerWaalsContact CA-O 3.24Å; Y289-L295 WeakPolarHBondContact CA-O 3.15Å; Y289-K296 HydrophobicContact CD1-CB 4.07Å; Y289-K296 HydrophobicContact CD1-CG 4.45Å; Y289-K296 HydrophobicContact CE1-CB 3.89Å; Y289-K296 HydrophobicContact CE1-CD 4.47Å; Y289-K296 HydrophobicContact CE1-CG 4.02Å
290Q94.7Very high95Very high40 Ų4060.3 Ų60.319%0.18731%0.307CS..EExtended strand (participates in β ladder)trans-62.1137.9153.4176.1173.3-23.100107.6F205 N292 P293 R294 L295 L297F205-Q290 HydrophobicContact CE2-CG 4.02Å; F205-Q290 HydrophobicContact CZ-CB 3.93Å; F205-Q290 HydrophobicContact CZ-CG 3.58Å; Q290-N292 PolarHBondContact NE2-O 3.25Å; Q290-P293 VanDerWaalsContact CG-O 3.3Å; Q290-P293 WeakPolarHBondContact CG-O 3.5Å; Q290-R294 VanDerWaalsContact O-CA 3.28Å; Q290-R294 WeakPolarHBondContact O-CA 3.41Å; Q290-L295 HydrophobicContact CB-CB 4.23Å; Q290-L295 PolarHBondContact N-O 2.87Å; Q290-L295 PolarHBondContact O-N 3.05Å; Q290-L297 HydrophobicContact CB-CD1 4.5Å; Q290-L297 HydrophobicContact CB-CD2 4.29Å; Q290-L297 HydrophobicContact CB-CG 4.5Å
291R88.1Confident94.1Very high49 Ų4965.9 Ų65.919%0.18534%0.344CS..THydrogen-bonded Turntrans-77.7-45.5-176.7-168.8173.4176.5-149.3-5.8112.3S242 A244 E245 I247S242-R291 PolarHBondContact O-NH1 2.9Å; A244-R291 WeakPolarHBondContact O-CD 3.37Å; E245-R291 WeakPolarHBondContact O-CB 3.23Å; E245-R291 PolarHBondContact O-N 2.68Å; I247-R291 HydrophobicContact CD1-CB 4.33Å; I247-R291 HydrophobicContact CD1-CG 3.96Å; I247-R291 HydrophobicContact CG1-CB 4.42Å
292N85.3Confident93.8Very high127 Ų12767.7 Ų67.768%0.67935%0.351SS*.THydrogen-bonded Turntrans-137.8115-174.7-65-44.5000111.6Q290Q290-N292 PolarHBondContact NE2-O 3.25Å
293P91.6Very high93.6Very high88 Ų8869.1 Ų69.157%0.57136%0.356SS*.THydrogen-bonded Turncis-60.1159.5-18.229-38.2000112.1Q290 L295Q290-P293 VanDerWaalsContact CG-O 3.3Å; Q290-P293 WeakPolarHBondContact CG-O 3.5Å; P293-L295 HydrophobicContact CG-CD1 3.98Å; P293-L295 HydrophobicContact CG-CG 4.17Å; P293-L295 PolarHBondContact O-N 3.16Å; P293-L295 VanDerWaalsContact O-N 3.08Å
294R91.7Very high93.4Very high113 Ų11368.2 Ų68.243%0.42635%0.347SS..THydrogen-bonded Turntrans-72.1105.3178.8-166.5171.3-175.496-7.8110.6E230 Y249 Y289 Q290E230-R294 IonicContact OE1-CZ 3.17Å; E230-R294 IonicContact OE1-NH1 2.82Å; E230-R294 PolarHBondContact OE1-NH1 2.78Å; E230-R294 IonicContact OE1-NH2 2.78Å; E230-R294 PolarHBondContact OE1-NH2 2.79Å; E230-R294 IonicContact OE2-NH1 3.22Å; E230-R294 PolarHBondContact OE2-NH1 3.29Å; Y249-R294 PolarHBondContact OH-NH2 2.79Å; Y289-R294 HydrophobicContact CD1-CG 4.29Å; Q290-R294 VanDerWaalsContact O-CA 3.28Å; Q290-R294 WeakPolarHBondContact O-CA 3.41Å
295L96.5Very high93.1Very high88 Ų8871 Ų7146%0.46136%0.363SS..EExtended strand (participates in β ladder)trans-129.1131.7179.8-63.6174.2000109.8Y289 Q290 P293 L297Y289-L295 CarbonylContact C-O 3.51Å; Y289-L295 VanDerWaalsContact CA-O 3.24Å; Y289-L295 WeakPolarHBondContact CA-O 3.15Å; Q290-L295 HydrophobicContact CB-CB 4.23Å; Q290-L295 PolarHBondContact N-O 2.87Å; Q290-L295 PolarHBondContact O-N 3.05Å; P293-L295 HydrophobicContact CG-CD1 3.98Å; P293-L295 HydrophobicContact CG-CG 4.17Å; P293-L295 PolarHBondContact O-N 3.16Å; P293-L295 VanDerWaalsContact O-N 3.08Å; L295-L297 PolarHBondContact O-N 3.16Å
296K97.5Very high92.8Very high158 Ų15874.6 Ų74.669%0.68738%0.382SS*.EExtended strand (participates in β ladder)trans-68.7128.3175.2-170.7173.1-178.5177.80109.3Y289Y289-K296 HydrophobicContact CD1-CB 4.07Å; Y289-K296 HydrophobicContact CD1-CG 4.45Å; Y289-K296 HydrophobicContact CE1-CB 3.89Å; Y289-K296 HydrophobicContact CE1-CD 4.47Å; Y289-K296 HydrophobicContact CE1-CG 4.02Å
297L97.6Very high92.5Very high30 Ų3072.1 Ų72.116%0.15738%0.379CS..EExtended strand (participates in β ladder)trans-97.8144177.1-57.7176.4000109.3F205 W208 I246 A288 Q290 L295F205-L297 HydrophobicContact CE1-CD1 4.5Å; W208-L297 HydrophobicContact CZ2-CB 3.92Å; W208-L297 HydrophobicContact CZ2-CD1 4.27Å; I246-L297 HydrophobicContact CB-CD1 4.47Å; I246-L297 HydrophobicContact CD1-CD1 3.81Å; I246-L297 HydrophobicContact CG1-CD1 3.85Å; I246-L297 HydrophobicContact CG2-CD1 3.88Å; A288-L297 HydrophobicContact CB-CB 4.25Å; A288-L297 PolarHBondContact O-N 3.12Å; Q290-L297 HydrophobicContact CB-CD1 4.5Å; Q290-L297 HydrophobicContact CB-CD2 4.29Å; Q290-L297 HydrophobicContact CB-CG 4.5Å; L295-L297 PolarHBondContact O-N 3.16Å
298S96.2Very high92.1Very high62 Ų6276.6 Ų76.643%0.43440%0.401SS..PPolyproline II helixtrans-64146.7169.7165.60000110W208 R212 T300W208-S298 VanDerWaalsContact CZ2-O 3.3Å; W208-S298 WeakPolarHBondContact CZ2-O 3.26Å; R212-S298 VanDerWaalsContact CD-O 3.22Å; R212-S298 WeakPolarHBondContact CD-O 3.4Å; R212-S298 VanDerWaalsContact NH1-C 3.26Å; R212-S298 PolarHBondContact NH1-O 3.18Å; R212-S298 PolarHBondContact NH1-OG 2.99Å; S298-T300 PolarHBondContact OG-N 3.18Å; S298-T300 PolarHBondContact OG-O 3.33Å; S298-T300 PolarHBondContact OG-OG1 2.96Å
299L93.7Very high91.7Very high43 Ų4382.5 Ų82.523%0.22543%0.432CS..SBendtrans-95.3-11.2178.1-63.1-179.2000113.4W208 R212 F285 A288W208-L299 HydrophobicContact CH2-CD2 3.97Å; W208-L299 HydrophobicContact CZ2-CD2 4.43Å; R212-L299 WeakPolarHBondContact CG-O 3.48Å; F285-L299 HydrophobicContact CB-CD1 4.01Å; F285-L299 HydrophobicContact CB-CD2 4.13Å; F285-L299 HydrophobicContact CD2-CD2 4.39Å; F285-L299 VanDerWaalsContact O-CD1 3.31Å; F285-L299 WeakPolarHBondContact O-CD1 3.44Å; A288-L299 HydrophobicContact CB-CD2 3.59Å
300T84.3Confident91.3Very high100 Ų10084.7 Ų84.761%0.61345%0.449SS*.  trans-107.6131.7177.552.80000109.3R212 S298R212-T300 VanDerWaalsContact CZ-C 3.42Å; R212-T300 VanDerWaalsContact NE-C 3.33Å; R212-T300 PolarHBondContact NE-O 3.19Å; R212-T300 PolarHBondContact NH1-O 3.2Å; R212-T300 PolarHBondContact NH2-O 3.17Å; S298-T300 PolarHBondContact OG-N 3.18Å; S298-T300 PolarHBondContact OG-O 3.33Å; S298-T300 PolarHBondContact OG-OG1 2.96Å
301P78.9Confident91Very high118 Ų11888.7 Ų88.777%0.76647%0.473SS*.  trans-42.50175.8-29.736.3000114.3R212 K213R212-P301 HydrophobicContact CB-CG 4.25Å; R212-P301 PolarHBondContact NH2-OXT 3.18Å; R212-P301 WeakPolarHBondContact O-CD 3.47Å; K213-P301 HydrophobicContact CB-CG 4.35Å; K213-P301 HydrophobicContact CG-CB 4.13Å; K213-P301 HydrophobicContact CG-CG 3.46Å; K213-P301 VanDerWaalsContact CG-CG 3.46Å

Retrieved 301 of 301 residues in 123.3 ms (Link to these results)

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