A0A077YWM9_TRITR Loading...

HIV Tat specific factor 1

AlphaFold DB , UniProt , Accession A0A077YWM9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 407 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
1M77.2Confident80.4Confident142 Ų14289.7 Ų89.770%0.744%0.439SS*.  0144.10-72.7-175.3-170.400107.5H9 W10 W28M1-H9 CarbonylContact C-O 3.55Å; M1-H9 WeakPolarHBondContact CA-O 3.44Å; M1-H9 WeakPolarHBondContact CB-O 3.12Å; M1-W10 HydrophobicContact CE-CB 4.35Å; M1-W10 HydrophobicContact CE-CG 4.2Å; M1-W10 HydrophobicContact CG-CB 3.94Å; M1-W10 HydrophobicContact CG-CG 4.16Å; M1-W28 HydrophobicContact CE-CH2 4.03Å; M1-W28 HydrophobicContact CE-CZ2 3.58Å; M1-W28 HydrophobicContact CG-CH2 4.39Å; M1-W28 HydrophobicContact SD-CH2 3.88Å; M1-W28 HydrophobicContact SD-CZ2 3.85Å
2F83Confident79.9Confident80 Ų8085.3 Ų85.335%0.35142%0.418SS..EExtended strand (participates in β ladder)trans-141.2157.8176.454.7-89000108.8L4 H9 K11F2-L4 HydrophobicContact CD2-CB 4.36Å; F2-L4 HydrophobicContact CD2-CD1 3.97Å; F2-L4 HydrophobicContact CE2-CD1 4.29Å; F2-H9 HydrophobicContact CD1-CB 4.35Å; F2-H9 HydrophobicContact CD2-CB 3.74Å; F2-H9 HydrophobicContact CE1-CB 4.04Å; F2-H9 HydrophobicContact CE2-CB 3.38Å; F2-H9 AromaticContact CE2-CG 3.76Å; F2-H9 HydrophobicContact CG-CB 4.21Å; F2-H9 HydrophobicContact CZ-CB 3.54Å; F2-H9 PolarHBondContact N-O 2.86Å; F2-H9 PolarHBondContact O-N 3.47Å; F2-K11 HydrophobicContact CE1-CB 4.38Å
3Y79.6Confident79.5Confident134 Ų13488.8 Ų88.853%0.52545%0.451SS..EExtended strand (participates in β ladder)trans-109.2123.2-178.4-170.6-97.5000108.6G6 A7 W8Y3-G6 WeakPolarHBondContact OH-CA 2.92Å; Y3-G6 PolarHBondContact OH-O 3.39Å; Y3-A7 WeakPolarHBondContact CD2-O 3.5Å; Y3-W8 AromaticContact CD2-CD2 3.87Å; Y3-W8 HydrophobicContact CD2-CD2 3.87Å; Y3-W8 AromaticContact CD2-CE2 3.83Å; Y3-W8 HydrophobicContact CD2-CE3 4.41Å; Y3-W8 HydrophobicContact CD2-CG 4.02Å; Y3-W8 HydrophobicContact CD2-CZ2 4.34Å; Y3-W8 AromaticContact CD2-NE1 3.9Å; Y3-W8 AromaticContact CE2-NE1 3.97Å
4L73.9Confident78.2Confident88 Ų8889.6 Ų89.646%0.46147%0.469SS..EExtended strand (participates in β ladder)trans-143.8140.3-177.5-129.8102.2000109.4F2 G6 A7F2-L4 HydrophobicContact CD2-CB 4.36Å; F2-L4 HydrophobicContact CD2-CD1 3.97Å; F2-L4 HydrophobicContact CE2-CD1 4.29Å; L4-G6 PolarHBondContact O-N 3.07Å; L4-A7 PolarHBondContact N-O 2.87Å; L4-A7 VanDerWaalsContact N-O 3.11Å; L4-A7 PolarHBondContact O-N 3.27Å; L4-A7 VanDerWaalsContact O-O 3.12Å
5D68.9Low78.1Confident147 Ų14789.5 Ų89.579%0.78647%0.474SS*.THydrogen-bonded Turntrans48.133.4177.9-80.9-7.8000116
6G79.8Confident78.2Confident49 Ų4986.8 Ų86.851%0.50547%0.474SS..THydrogen-bonded Turntrans82.310.1177.200000115.1Y3 L4Y3-G6 WeakPolarHBondContact OH-CA 2.92Å; Y3-G6 PolarHBondContact OH-O 3.39Å; L4-G6 PolarHBondContact O-N 3.07Å
7A81.9Confident78Confident24 Ų2485.8 Ų85.820%0.19847%0.472CS..EExtended strand (participates in β ladder)trans-129.7156.817600000112.1Y3 L4 H9 I20Y3-A7 WeakPolarHBondContact CD2-O 3.5Å; L4-A7 PolarHBondContact N-O 2.87Å; L4-A7 VanDerWaalsContact N-O 3.11Å; L4-A7 PolarHBondContact O-N 3.27Å; L4-A7 VanDerWaalsContact O-O 3.12Å; A7-H9 PolarHBondContact O-CD2 3Å; A7-I20 HydrophobicContact CB-CG2 3.7Å
8W83.8Confident78.4Confident120 Ų12084.5 Ų84.546%0.45546%0.461SS..EExtended strand (participates in β ladder)trans-84.2130.1171.8-71.791.8000110.4Y3 I20 Y21 W28Y3-W8 AromaticContact CD2-CD2 3.87Å; Y3-W8 HydrophobicContact CD2-CD2 3.87Å; Y3-W8 AromaticContact CD2-CE2 3.83Å; Y3-W8 HydrophobicContact CD2-CE3 4.41Å; Y3-W8 HydrophobicContact CD2-CG 4.02Å; Y3-W8 HydrophobicContact CD2-CZ2 4.34Å; Y3-W8 AromaticContact CD2-NE1 3.9Å; Y3-W8 AromaticContact CE2-NE1 3.97Å; W8-I20 CarbonylContact O-C 3.56Å; W8-I20 WeakPolarHBondContact O-CA 3.09Å; W8-Y21 PolarHBondContact O-N 2.95Å; W8-W28 HydrophobicContact CB-CH2 4.02Å; W8-W28 HydrophobicContact CB-CZ3 4.46Å; W8-W28 WeakPolarHBondContact O-CZ3 3.29Å
9H88.9Confident78.7Confident18 Ų1882.3 Ų82.38%0.08345%0.449CS..EExtended strand (participates in β ladder)trans-110.2138.2174.7-67.8-112000110.5M1 F2 A7 L19M1-H9 CarbonylContact C-O 3.55Å; M1-H9 WeakPolarHBondContact CA-O 3.44Å; M1-H9 WeakPolarHBondContact CB-O 3.12Å; F2-H9 HydrophobicContact CD1-CB 4.35Å; F2-H9 HydrophobicContact CD2-CB 3.74Å; F2-H9 HydrophobicContact CE1-CB 4.04Å; F2-H9 HydrophobicContact CE2-CB 3.38Å; F2-H9 AromaticContact CE2-CG 3.76Å; F2-H9 HydrophobicContact CG-CB 4.21Å; F2-H9 HydrophobicContact CZ-CB 3.54Å; F2-H9 PolarHBondContact N-O 2.86Å; F2-H9 PolarHBondContact O-N 3.47Å; A7-H9 PolarHBondContact O-CD2 3Å; H9-L19 CarbonylContact C-O 3.56Å; H9-L19 WeakPolarHBondContact CA-O 3.45Å
10W83.4Confident79Confident80 Ų8079.5 Ų79.530%0.30343%0.433SS..EExtended strand (participates in β ladder)trans-126.6129.7171.317783.2000109.2M1 N12 E18 L19 W28M1-W10 HydrophobicContact CE-CB 4.35Å; M1-W10 HydrophobicContact CE-CG 4.2Å; M1-W10 HydrophobicContact CG-CB 3.94Å; M1-W10 HydrophobicContact CG-CG 4.16Å; W10-N12 HydrophobicContact CH2-CB 3.49Å; W10-N12 VanDerWaalsContact CH2-CB 3.49Å; W10-N12 HydrophobicContact CZ2-CB 4.07Å; W10-N12 HydrophobicContact CZ3-CB 3.77Å; W10-E18 CarbonylContact O-C 3.57Å; W10-E18 WeakPolarHBondContact O-CA 3.29Å; W10-L19 HydrophobicContact CE3-CB 4.17Å; W10-L19 HydrophobicContact CE3-CD1 3.59Å; W10-L19 HydrophobicContact CE3-CG 4.01Å; W10-L19 HydrophobicContact CZ3-CD1 3.63Å; W10-L19 HydrophobicContact CZ3-CG 4.28Å; W10-L19 PolarHBondContact N-O 2.79Å; W10-L19 PolarHBondContact O-N 3.17Å; W10-W28 HydrophobicContact CB-CE3 4.01Å; W10-W28 HydrophobicContact CB-CH2 3.64Å; W10-W28 HydrophobicContact CB-CZ2 4.31Å; W10-W28 HydrophobicContact CB-CZ3 3.47Å; W10-W28 VanDerWaalsContact CB-CZ3 3.47Å
11K84.1Confident79.3Confident105 Ų10578.7 Ų78.746%0.45742%0.424SS..EExtended strand (participates in β ladder)trans-116.4126.9176.8-160.5173.9-161140.40109F2 P13 G16 T17 E18F2-K11 HydrophobicContact CE1-CB 4.38Å; K11-P13 WeakPolarHBondContact O-CD 3.35Å; K11-G16 WeakPolarHBondContact CE-O 3.37Å; K11-T17 WeakPolarHBondContact CA-O 3.33Å; K11-E18 HydrophobicContact CB-CG 4.24Å; K11-E18 WeakPolarHBondContact CD-OE1 3.36Å; K11-E18 WeakPolarHBondContact CE-OE1 3.39Å; K11-E18 HydrophobicContact CG-CG 4.2Å; K11-E18 IonicContact NZ-OE1 3.57Å; K11-E18 PolarHBondContact NZ-OE1 3.1Å
12N74.6Confident79.4Confident37 Ų3773.5 Ų73.520%0.19840%0.402CS..  trans-73.4122178.9-170.1-12.1000110.3W10 S14 T15 G16 T17W10-N12 HydrophobicContact CH2-CB 3.49Å; W10-N12 VanDerWaalsContact CH2-CB 3.49Å; W10-N12 HydrophobicContact CZ2-CB 4.07Å; W10-N12 HydrophobicContact CZ3-CB 3.77Å; N12-S14 PolarHBondContact ND2-OG 2.97Å; N12-S14 PolarHBondContact O-N 2.85Å; N12-S14 PolarHBondContact OD1-N 2.66Å; N12-S14 VanDerWaalsContact OD1-N 3.11Å; N12-S14 PolarHBondContact OD1-OG 3.12Å; N12-T15 VanDerWaalsContact CB-OG1 3.25Å; N12-T15 WeakPolarHBondContact CB-OG1 3.38Å; N12-T15 VanDerWaalsContact CG-OG1 3.27Å; N12-T15 PolarHBondContact ND2-OG1 3.32Å; N12-G16 WeakPolarHBondContact O-CA 3.34Å; N12-G16 PolarHBondContact O-N 3.18Å; N12-T17 PolarHBondContact N-O 2.73Å
13P74.3Confident79Confident130 Ų13076.5 Ų76.584%0.84442%0.417SS*.THydrogen-bonded Turntrans-61-25178-2131.2000114.3K11K11-P13 WeakPolarHBondContact O-CD 3.35Å
14S61.6Low78.8Confident101 Ų10179 Ų7971%0.70643%0.433SS*.THydrogen-bonded Turntrans-95.9-27.1-174.965.90000114.4N12N12-S14 PolarHBondContact ND2-OG 2.97Å; N12-S14 PolarHBondContact O-N 2.85Å; N12-S14 PolarHBondContact OD1-N 2.66Å; N12-S14 VanDerWaalsContact OD1-N 3.11Å; N12-S14 PolarHBondContact OD1-OG 3.12Å
15T76.7Confident78.9Confident87 Ų8780.2 Ų80.253%0.53444%0.436SS..THydrogen-bonded Turntrans-117.3-8.6-175.855.20000113.7N12 T17N12-T15 VanDerWaalsContact CB-OG1 3.25Å; N12-T15 WeakPolarHBondContact CB-OG1 3.38Å; N12-T15 VanDerWaalsContact CG-OG1 3.27Å; N12-T15 PolarHBondContact ND2-OG1 3.32Å; T15-T17 PolarHBondContact O-N 2.86Å; T15-T17 PolarHBondContact OG1-OG1 2.86Å
16G78.8Confident79.5Confident46 Ų4680.7 Ų80.747%0.47443%0.434SS..  trans68.2-4.9-177.400000115K11 N12K11-G16 WeakPolarHBondContact CE-O 3.37Å; N12-G16 WeakPolarHBondContact O-CA 3.34Å; N12-G16 PolarHBondContact O-N 3.18Å
17T76.3Confident79.7Confident71 Ų7183.4 Ų83.444%0.43643%0.432SS..  trans-68.1135.9179.637.70000111.6K11 N12 T15K11-T17 WeakPolarHBondContact CA-O 3.33Å; N12-T17 PolarHBondContact N-O 2.73Å; T15-T17 PolarHBondContact O-N 2.86Å; T15-T17 PolarHBondContact OG1-OG1 2.86Å
18E83.7Confident79.9Confident62 Ų6286.4 Ų86.429%0.2944%0.438SS..EExtended strand (participates in β ladder)trans-106.7135.1-177.4-140.8161.4-117.100109.5W10 K11 P31W10-E18 CarbonylContact O-C 3.57Å; W10-E18 WeakPolarHBondContact O-CA 3.29Å; K11-E18 HydrophobicContact CB-CG 4.24Å; K11-E18 WeakPolarHBondContact CD-OE1 3.36Å; K11-E18 WeakPolarHBondContact CE-OE1 3.39Å; K11-E18 HydrophobicContact CG-CG 4.2Å; K11-E18 IonicContact NZ-OE1 3.57Å; K11-E18 PolarHBondContact NZ-OE1 3.1Å; E18-P31 WeakPolarHBondContact O-CD 3.32Å
19L84Confident79.8Confident42 Ų4282.6 Ų82.622%0.2243%0.428CS..EExtended strand (participates in β ladder)trans-123.1139176.9-66.2175.6000109H9 W10 W28 L30H9-L19 CarbonylContact C-O 3.56Å; H9-L19 WeakPolarHBondContact CA-O 3.45Å; W10-L19 HydrophobicContact CE3-CB 4.17Å; W10-L19 HydrophobicContact CE3-CD1 3.59Å; W10-L19 HydrophobicContact CE3-CG 4.01Å; W10-L19 HydrophobicContact CZ3-CD1 3.63Å; W10-L19 HydrophobicContact CZ3-CG 4.28Å; W10-L19 PolarHBondContact N-O 2.79Å; W10-L19 PolarHBondContact O-N 3.17Å; L19-W28 HydrophobicContact CB-CB 4.17Å; L19-W28 HydrophobicContact CB-CD2 4.45Å; L19-W28 HydrophobicContact CB-CE3 3.79Å; L19-W28 HydrophobicContact CD1-CB 4.08Å; L19-W28 WeakPolarHBondContact O-CZ3 3.35Å; L19-L30 HydrophobicContact CD2-CD2 4.04Å; L19-L30 HydrophobicContact CD2-CG 4.15Å
20I85.9Confident79.1Confident27 Ų2787.7 Ų87.714%0.13846%0.455CS..EExtended strand (participates in β ladder)trans-108.2134.5176.9-53.4-178.5000108.3A7 W8 W28 T29 P31A7-I20 HydrophobicContact CB-CG2 3.7Å; W8-I20 CarbonylContact O-C 3.56Å; W8-I20 WeakPolarHBondContact O-CA 3.09Å; I20-W28 CarbonylContact O-C 3.6Å; I20-W28 WeakPolarHBondContact O-CA 3.21Å; I20-T29 PolarHBondContact N-O 3.48Å; I20-T29 PolarHBondContact O-N 3.44Å; I20-T29 PolarHBondContact O-OG1 3.01Å; I20-P31 HydrophobicContact CD1-CB 3.78Å; I20-P31 HydrophobicContact CD1-CG 3.91Å; I20-P31 HydrophobicContact CG1-CB 4.48Å; I20-P31 HydrophobicContact CG1-CG 4.11Å
21Y83.9Confident78.2Confident63 Ų6386.5 Ų86.525%0.24746%0.458CS..EExtended strand (participates in β ladder)trans-82.1118176.8-170.3-104.5000110.6W8 E23 W28W8-Y21 PolarHBondContact O-N 2.95Å; Y21-E23 HydrophobicContact CD1-CG 4.32Å; Y21-E23 HydrophobicContact CE1-CG 4.29Å; Y21-W28 HydrophobicContact CD2-CD2 4Å; Y21-W28 AromaticContact CD2-CE2 3.75Å; Y21-W28 HydrophobicContact CD2-CG 4.29Å; Y21-W28 HydrophobicContact CD2-CZ2 4.1Å; Y21-W28 AromaticContact CD2-NE1 3.85Å
22S79.9Confident76.6Confident32 Ų3286 Ų8622%0.22447%0.467CS..EExtended strand (participates in β ladder)trans-90.2110.9173.21770000110H24 E25 Q26 K27S22-H24 PolarHBondContact O-N 3.5Å; S22-E25 PolarHBondContact O-N 2.95Å; S22-E25 PolarHBondContact OG-N 3.35Å; S22-Q26 WeakPolarHBondContact O-CA 3.45Å; S22-Q26 PolarHBondContact O-N 2.78Å; S22-K27 PolarHBondContact N-O 2.82Å; S22-K27 PolarHBondContact O-N 3.21Å
23E75.9Confident75.2Confident144 Ų14490 Ų9067%0.67350%0.499SS*.THydrogen-bonded Turntrans-62.7-30.9175.5-72.9-168.3156.400112.5Y21Y21-E23 HydrophobicContact CD1-CG 4.32Å; Y21-E23 HydrophobicContact CE1-CG 4.29Å
24H73.8Confident73.5Confident187 Ų18790.5 Ų90.587%0.86649%0.494SS*.THydrogen-bonded Turntrans-74.4-26.4-177.5-153.1-76.3000112.8S22S22-H24 PolarHBondContact O-N 3.5Å
25E77.6Confident72.6Confident113 Ų11391.9 Ų91.953%0.52849%0.489SS..THydrogen-bonded Turntrans-108-5.4177.4-61.9-166.7165.500113.4S22 K27S22-E25 PolarHBondContact O-N 2.95Å; S22-E25 PolarHBondContact OG-N 3.35Å; E25-K27 HydrophobicContact CB-CD 4.42Å; E25-K27 HydrophobicContact CB-CG 4.21Å; E25-K27 PolarHBondContact O-N 2.85Å; E25-K27 WeakPolarHBondContact OE2-CD 3.24Å; E25-K27 WeakPolarHBondContact OE2-CE 3.37Å; E25-K27 IonicContact OE2-NZ 2.94Å; E25-K27 PolarHBondContact OE2-NZ 2.97Å
26Q80.5Confident71Confident156 Ų15693 Ų9373%0.72950%0.498SS*.THydrogen-bonded Turntrans46.939.7-170.3-63.8-141.7-42.300113.7S22S22-Q26 WeakPolarHBondContact O-CA 3.45Å; S22-Q26 PolarHBondContact O-N 2.78Å
27K84.6Confident69.5Low106 Ų10695.2 Ų95.246%0.46151%0.506SS..EExtended strand (participates in β ladder)trans-141.8156.7-17996.4-174.8-166-140.50112.2S22 E25 T29S22-K27 PolarHBondContact N-O 2.82Å; S22-K27 PolarHBondContact O-N 3.21Å; E25-K27 HydrophobicContact CB-CD 4.42Å; E25-K27 HydrophobicContact CB-CG 4.21Å; E25-K27 PolarHBondContact O-N 2.85Å; E25-K27 WeakPolarHBondContact OE2-CD 3.24Å; E25-K27 WeakPolarHBondContact OE2-CE 3.37Å; E25-K27 IonicContact OE2-NZ 2.94Å; E25-K27 PolarHBondContact OE2-NZ 2.97Å; K27-T29 HydrophobicContact CD-CG2 4.34Å; K27-T29 VanDerWaalsContact CE-CG2 3.42Å; K27-T29 HydrophobicContact CG-CG2 3.94Å
28W84.8Confident68.8Low88 Ų8892.8 Ų92.833%0.33350%0.496SS..EExtended strand (participates in β ladder)trans-78.6123.6170.1-67.495.3000110.5M1 W8 W10 L19 I20 Y21M1-W28 HydrophobicContact CE-CH2 4.03Å; M1-W28 HydrophobicContact CE-CZ2 3.58Å; M1-W28 HydrophobicContact CG-CH2 4.39Å; M1-W28 HydrophobicContact SD-CH2 3.88Å; M1-W28 HydrophobicContact SD-CZ2 3.85Å; W8-W28 HydrophobicContact CB-CH2 4.02Å; W8-W28 HydrophobicContact CB-CZ3 4.46Å; W8-W28 WeakPolarHBondContact O-CZ3 3.29Å; W10-W28 HydrophobicContact CB-CE3 4.01Å; W10-W28 HydrophobicContact CB-CH2 3.64Å; W10-W28 HydrophobicContact CB-CZ2 4.31Å; W10-W28 HydrophobicContact CB-CZ3 3.47Å; W10-W28 VanDerWaalsContact CB-CZ3 3.47Å; L19-W28 HydrophobicContact CB-CB 4.17Å; L19-W28 HydrophobicContact CB-CD2 4.45Å; L19-W28 HydrophobicContact CB-CE3 3.79Å; L19-W28 HydrophobicContact CD1-CB 4.08Å; L19-W28 WeakPolarHBondContact O-CZ3 3.35Å; I20-W28 CarbonylContact O-C 3.6Å; I20-W28 WeakPolarHBondContact O-CA 3.21Å; Y21-W28 HydrophobicContact CD2-CD2 4Å; Y21-W28 AromaticContact CD2-CE2 3.75Å; Y21-W28 HydrophobicContact CD2-CG 4.29Å; Y21-W28 HydrophobicContact CD2-CZ2 4.1Å; Y21-W28 AromaticContact CD2-NE1 3.85Å
29T82.3Confident67.7Low40 Ų4094.9 Ų94.925%0.24551%0.507CS..EExtended strand (participates in β ladder)trans-118.4146.9179.643.80000111I20 K27I20-T29 PolarHBondContact N-O 3.48Å; I20-T29 PolarHBondContact O-N 3.44Å; I20-T29 PolarHBondContact O-OG1 3.01Å; K27-T29 HydrophobicContact CD-CG2 4.34Å; K27-T29 VanDerWaalsContact CE-CG2 3.42Å; K27-T29 HydrophobicContact CG-CG2 3.94Å
30L74.2Confident66.8Low124 Ų12499 Ų9965%0.64953%0.525SS*.PPolyproline II helixtrans-62.9144.6167.2-73.8160.1000109.5L19 S32L19-L30 HydrophobicContact CD2-CD2 4.04Å; L19-L30 HydrophobicContact CD2-CG 4.15Å; L30-S32 PolarHBondContact O-N 2.73Å; L30-S32 VanDerWaalsContact O-N 3.14Å
31P64.9Low65.7Low55 Ų55102.6 Ų102.636%0.35754%0.544SS..PPolyproline II helixtrans-56121.6172.2-15.225.9000108.9E18 I20E18-P31 WeakPolarHBondContact O-CD 3.32Å; I20-P31 HydrophobicContact CD1-CB 3.78Å; I20-P31 HydrophobicContact CD1-CG 3.91Å; I20-P31 HydrophobicContact CG1-CB 4.48Å; I20-P31 HydrophobicContact CG1-CG 4.11Å
32S50.2Low65.1Low95 Ų95103.2 Ų103.266%0.66455%0.55SS**PPolyproline II helixtrans-57.7142.4169176.30000108.8L30 D34L30-S32 PolarHBondContact O-N 2.73Å; L30-S32 VanDerWaalsContact O-N 3.14Å; S32-D34 PolarHBondContact O-N 3.13Å
33S45.2Very low64.1Low122 Ų122109.3 Ų109.385%0.85358%0.581SS**SBendtrans-56.913.4-171.1-176.20000117.3
34D38.3Very low63.7Low139 Ų139105.6 Ų105.674%0.74358%0.581SS**  trans-12780.5-174-63.6-39.3000110.3S32S32-D34 PolarHBondContact O-N 3.13Å
35Q43.8Very low63.5Low130 Ų13099.2 Ų99.261%0.60756%0.557SS**  trans-153.5152.1165.2-111-173.4-23.400112
36P42.2Very low63.4Low111 Ų11199.5 Ų99.572%0.72155%0.553SS**  trans-76.2136.5-143.528.5-34.5000114
37S47Very low63.3Low92 Ų9293.9 Ų93.964%0.64353%0.525SS*.THydrogen-bonded Turntrans-69.2122.7172-176.50000109.1E51S37-E51 WeakPolarHBondContact CB-OE1 3.26Å
38G61.7Low63.1Low21 Ų2190.8 Ų90.822%0.21651%0.513CS..THydrogen-bonded Turntrans156.9-13.7175.600000117.4H48 R49G38-H48 WeakPolarHBondContact O-CA 3.42Å; G38-R49 PolarHBondContact O-N 2.84Å
39M60.5Low62.7Low106 Ų10694.2 Ų94.252%0.52253%0.526SS..EExtended strand (participates in β ladder)trans-101.5123178.3-68.4-175.2-173.900112.3W46 Y47M39-W46 HydrophobicContact CB-CE3 4.42Å; M39-W46 HydrophobicContact CB-CZ3 4.38Å; M39-Y47 CarbonylContact C-O 3.56Å; M39-Y47 VanDerWaalsContact CA-O 3.29Å; M39-Y47 WeakPolarHBondContact CA-O 3.23Å
40Q65.5Low62.1Low128 Ų12894.6 Ų94.660%0.59853%0.526SS*.EExtended strand (participates in β ladder)trans-125.7138.2177.5-69.3-177.9-16.200110.4I42 Y47Q40-I42 HydrophobicContact CB-CG1 4.48Å; Q40-Y47 PolarHBondContact N-O 3.23Å; Q40-Y47 WeakPolarHBondContact O-CB 3.1Å; Q40-Y47 PolarHBondContact O-N 2.88Å
41L63.9Low61.6Low103 Ų10395.3 Ų95.354%0.53953%0.526SS..EExtended strand (participates in β ladder)trans-103.4115.4173.4-171.177.3000108.6W46L41-W46 HydrophobicContact CD1-CD2 3.76Å; L41-W46 HydrophobicContact CD1-CE3 4.41Å; L41-W46 HydrophobicContact CD1-CG 3.85Å; L41-W46 HydrophobicContact CD1-CZ2 4.28Å
42I69.6Low61.8Low75 Ų75101.4 Ų101.439%0.38555%0.549SS..EExtended strand (participates in β ladder)trans-130.8125.4-180-53.8172.1000107.5Q40 G44 C45 Y47Q40-I42 HydrophobicContact CB-CG1 4.48Å; I42-G44 PolarHBondContact O-N 3.1Å; I42-C45 PolarHBondContact N-O 3.24Å; I42-C45 VanDerWaalsContact N-O 3.09Å; I42-C45 PolarHBondContact O-N 2.67Å; I42-Y47 HydrophobicContact CB-CD2 3.96Å; I42-Y47 HydrophobicContact CB-CE2 3.68Å; I42-Y47 HydrophobicContact CD1-CD2 4.25Å; I42-Y47 HydrophobicContact CD1-CE2 4.48Å; I42-Y47 HydrophobicContact CG1-CD2 4.17Å; I42-Y47 HydrophobicContact CG1-CE2 4.36Å
43D59.7Low62.8Low161 Ų161101.1 Ų101.186%0.86154%0.544SS*.THydrogen-bonded Turntrans51.735.8-178.7-65.5-27.7000115.1C45D43-C45 PolarHBondContact O-N 3.02Å
44G68.6Low64.1Low66 Ų6697.7 Ų97.768%0.6853%0.528SS*.THydrogen-bonded Turntrans78.71.6179.500000115I42I42-G44 PolarHBondContact O-N 3.1Å
45C68.5Low66Low53 Ų5393.2 Ų93.236%0.35851%0.505SS..EExtended strand (participates in β ladder)trans-105.7138.6174.3-67.70000110.8I42 D43 Y47 V58I42-C45 PolarHBondContact N-O 3.24Å; I42-C45 VanDerWaalsContact N-O 3.09Å; I42-C45 PolarHBondContact O-N 2.67Å; D43-C45 PolarHBondContact O-N 3.02Å; C45-Y47 HydrophobicContact CB-CE2 3.96Å; C45-Y47 VanDerWaalsContact O-CD2 3.3Å; C45-Y47 WeakPolarHBondContact O-CD2 3.29Å; C45-Y47 WeakPolarHBondContact O-CE2 3.42Å; C45-V58 HydrophobicContact CB-CG1 4.17Å
46W75.5Confident67.6Low119 Ų11989.6 Ų89.645%0.45149%0.49SS..EExtended strand (participates in β ladder)trans-83.3133.3174.5-70.590000110.7M39 L41 V58 W59 W66M39-W46 HydrophobicContact CB-CE3 4.42Å; M39-W46 HydrophobicContact CB-CZ3 4.38Å; L41-W46 HydrophobicContact CD1-CD2 3.76Å; L41-W46 HydrophobicContact CD1-CE3 4.41Å; L41-W46 HydrophobicContact CD1-CG 3.85Å; L41-W46 HydrophobicContact CD1-CZ2 4.28Å; W46-V58 CarbonylContact O-C 3.44Å; W46-V58 WeakPolarHBondContact O-CA 3.48Å; W46-W59 HydrophobicContact CB-CB 3.7Å; W46-W59 HydrophobicContact CB-CG 4.46Å; W46-W59 PolarHBondContact O-N 3.34Å; W46-W66 HydrophobicContact CB-CH2 3.89Å; W46-W66 HydrophobicContact CB-CZ3 4.33Å; W46-W66 WeakPolarHBondContact O-CZ3 3.42Å
47Y78.9Confident69.5Low37 Ų3788.6 Ų88.615%0.14547%0.472CS..EExtended strand (participates in β ladder)trans-114.4133.7174.6-67.8-96.7000108.9M39 Q40 I42 C45 L56 R57 V58 R69M39-Y47 CarbonylContact C-O 3.56Å; M39-Y47 VanDerWaalsContact CA-O 3.29Å; M39-Y47 WeakPolarHBondContact CA-O 3.23Å; Q40-Y47 PolarHBondContact N-O 3.23Å; Q40-Y47 WeakPolarHBondContact O-CB 3.1Å; Q40-Y47 PolarHBondContact O-N 2.88Å; I42-Y47 HydrophobicContact CB-CD2 3.96Å; I42-Y47 HydrophobicContact CB-CE2 3.68Å; I42-Y47 HydrophobicContact CD1-CD2 4.25Å; I42-Y47 HydrophobicContact CD1-CE2 4.48Å; I42-Y47 HydrophobicContact CG1-CD2 4.17Å; I42-Y47 HydrophobicContact CG1-CE2 4.36Å; C45-Y47 HydrophobicContact CB-CE2 3.96Å; C45-Y47 VanDerWaalsContact O-CD2 3.3Å; C45-Y47 WeakPolarHBondContact O-CD2 3.29Å; C45-Y47 WeakPolarHBondContact O-CE2 3.42Å; Y47-L56 HydrophobicContact CD1-CD2 3.83Å; Y47-L56 HydrophobicContact CD1-CG 4.31Å; Y47-L56 HydrophobicContact CE1-CD2 4.21Å; Y47-R57 WeakPolarHBondContact CA-O 3.36Å; Y47-V58 HydrophobicContact CD1-CG2 3.68Å; Y47-V58 HydrophobicContact CE1-CG1 4.47Å; Y47-V58 HydrophobicContact CE1-CG2 3.45Å; Y47-V58 VanDerWaalsContact CE1-CG2 3.45Å; Y47-R69 PolarHBondContact OH-NH1 2.87Å
48H79.3Confident71.2Confident42 Ų4285.4 Ų85.419%0.19445%0.449CS..EExtended strand (participates in β ladder)trans-121.4121.1171.4179.2-85.7000108.9G38 D50 R57 W66G38-H48 WeakPolarHBondContact O-CA 3.42Å; H48-D50 IonicContact CE1-OD1 3.93Å; H48-R57 PolarHBondContact N-O 2.82Å; H48-R57 PolarHBondContact O-N 2.92Å; H48-W66 HydrophobicContact CB-CE3 4.05Å; H48-W66 HydrophobicContact CB-CH2 3.63Å; H48-W66 HydrophobicContact CB-CZ2 4.23Å; H48-W66 HydrophobicContact CB-CZ3 3.53Å
49R77.2Confident71.9Confident160 Ų16088.8 Ų88.860%0.60446%0.455SS*.EExtended strand (participates in β ladder)trans-104.1116.1171.4-176.9-179.6-81.6-148.9-3.6108.5G38 E51 L56G38-R49 PolarHBondContact O-N 2.84Å; R49-E51 PolarHBondContact O-N 2.9Å; R49-L56 HydrophobicContact CB-CD1 4.16Å
50D69.9Low72.7Confident47 Ų4786 Ų8625%0.25144%0.442SS..  trans-68.5122.4172.6-113.1-29.9000110.1H48 H52 T53 G54 V55 R57H48-D50 IonicContact CE1-OD1 3.93Å; D50-H52 PolarHBondContact O-N 3.06Å; D50-T53 WeakPolarHBondContact CB-OG1 3.24Å; D50-T53 PolarHBondContact OD2-OG1 3.23Å; D50-G54 WeakPolarHBondContact O-CA 3.44Å; D50-G54 PolarHBondContact O-N 3.5Å; D50-V55 PolarHBondContact N-O 2.86Å; D50-R57 IonicContact OD2-NH2 3.33Å
51E64.3Low72.9Confident139 Ų13984 Ų8465%0.6545%0.447SS*.THydrogen-bonded Turntrans-65.3-25-180-67.3-170.7142.100113.3S37 R49S37-E51 WeakPolarHBondContact CB-OE1 3.26Å; R49-E51 PolarHBondContact O-N 2.9Å
52H68.2Low73.2Confident183 Ų18388.1 Ų88.185%0.84746%0.464SS*.THydrogen-bonded Turntrans-92.5-28.8-178.9-73-45.4000114.6D50D50-H52 PolarHBondContact O-N 3.06Å
53T72.2Confident73.1Confident90 Ų9093.3 Ų93.355%0.55248%0.478SS*.THydrogen-bonded Turntrans-112.7-13.9-17465.50000113.2D50 V55D50-T53 WeakPolarHBondContact CB-OG1 3.24Å; D50-T53 PolarHBondContact OD2-OG1 3.23Å; T53-V55 PolarHBondContact O-N 3.05Å; T53-V55 VanDerWaalsContact O-N 3.13Å; T53-V55 WeakPolarHBondContact OG1-CG2 3.24Å; T53-V55 PolarHBondContact OG1-N 3.29Å
54G72.2Confident73.8Confident50 Ų5087.7 Ų87.752%0.51546%0.459SS..  trans673.8-175.200000113.9D50 L56D50-G54 WeakPolarHBondContact O-CA 3.44Å; D50-G54 PolarHBondContact O-N 3.5Å; G54-L56 PolarHBondContact O-N 3.37Å
55V76.7Confident74.2Confident45 Ų4590.6 Ų90.627%0.27345%0.454SS..  trans-72.9126.6-176.1176.30000109.7D50 T53 R57 L68D50-V55 PolarHBondContact N-O 2.86Å; T53-V55 PolarHBondContact O-N 3.05Å; T53-V55 VanDerWaalsContact O-N 3.13Å; T53-V55 WeakPolarHBondContact OG1-CG2 3.24Å; T53-V55 PolarHBondContact OG1-N 3.29Å; V55-R57 HydrophobicContact CG1-CG 4.27Å; V55-L68 HydrophobicContact CG1-CD1 4.4Å; V55-L68 HydrophobicContact CG1-CD2 3.59Å; V55-L68 HydrophobicContact CG1-CG 3.74Å
56L78.6Confident74.7Confident54 Ų5492.3 Ų92.328%0.28345%0.454SS..EExtended strand (participates in β ladder)trans-89.4122.3174.8-151.786.3000109.9Y47 R49 G54 R69Y47-L56 HydrophobicContact CD1-CD2 3.83Å; Y47-L56 HydrophobicContact CD1-CG 4.31Å; Y47-L56 HydrophobicContact CE1-CD2 4.21Å; R49-L56 HydrophobicContact CB-CD1 4.16Å; G54-L56 PolarHBondContact O-N 3.37Å; L56-R69 PolarHBondContact O-N 3.19Å
57R81.7Confident75Confident89 Ų8990 Ų9034%0.33645%0.452SS..EExtended strand (participates in β ladder)trans-114.1139.1173.3-58.1-175.6-170.6174.67.5109.8Y47 H48 D50 V55 W66 V67Y47-R57 WeakPolarHBondContact CA-O 3.36Å; H48-R57 PolarHBondContact N-O 2.82Å; H48-R57 PolarHBondContact O-N 2.92Å; D50-R57 IonicContact OD2-NH2 3.33Å; V55-R57 HydrophobicContact CG1-CG 4.27Å; R57-W66 HydrophobicContact CB-CB 4.21Å; R57-W66 HydrophobicContact CB-CD2 4.4Å; R57-W66 HydrophobicContact CB-CE3 3.74Å; R57-V67 WeakPolarHBondContact CA-O 3.38Å
58V81.7Confident75.1Confident26 Ų2693.2 Ų93.216%0.15847%0.471CS..EExtended strand (participates in β ladder)trans-111.5135.8175.4-175.20000108.8C45 W46 Y47 V67 R69C45-V58 HydrophobicContact CB-CG1 4.17Å; W46-V58 CarbonylContact O-C 3.44Å; W46-V58 WeakPolarHBondContact O-CA 3.48Å; Y47-V58 HydrophobicContact CD1-CG2 3.68Å; Y47-V58 HydrophobicContact CE1-CG1 4.47Å; Y47-V58 HydrophobicContact CE1-CG2 3.45Å; Y47-V58 VanDerWaalsContact CE1-CG2 3.45Å; V58-V67 PolarHBondContact N-O 3.21Å; V58-V67 PolarHBondContact O-N 3.42Å; V58-R69 HydrophobicContact CG2-CB 4.46Å
59W78.2Confident74.4Confident91 Ų9198.4 Ų98.435%0.34549%0.489SS..EExtended strand (participates in β ladder)trans-76.1122.2175.6-177.2-103.8000110.8W46 G64 W66W46-W59 HydrophobicContact CB-CB 3.7Å; W46-W59 HydrophobicContact CB-CG 4.46Å; W46-W59 PolarHBondContact O-N 3.34Å; W59-G64 VanDerWaalsContact CH2-C 3.5Å; W59-G64 VanDerWaalsContact CH2-O 3.3Å; W59-G64 WeakPolarHBondContact CH2-O 3.43Å; W59-W66 HydrophobicContact CB-CE3 4.15Å; W59-W66 HydrophobicContact CB-CH2 4.16Å; W59-W66 HydrophobicContact CB-CZ3 3.94Å; W59-W66 AromaticContact CE3-CD1 3.7Å; W59-W66 AromaticContact CE3-CD2 3.77Å; W59-W66 HydrophobicContact CE3-CD2 3.77Å; W59-W66 AromaticContact CE3-CE2 3.53Å; W59-W66 HydrophobicContact CE3-CE3 4.47Å; W59-W66 AromaticContact CE3-CG 3.89Å; W59-W66 HydrophobicContact CE3-CG 3.89Å; W59-W66 HydrophobicContact CE3-CZ2 4.08Å; W59-W66 AromaticContact CE3-NE1 3.47Å; W59-W66 AromaticContact CZ3-CD1 3.63Å; W59-W66 HydrophobicContact CZ3-CD2 4.48Å; W59-W66 HydrophobicContact CZ3-CG 4.23Å; W59-W66 AromaticContact CZ3-NE1 3.52Å
60D76.6Confident73.3Confident48 Ų4895.5 Ų95.526%0.25749%0.49SS..EExtended strand (participates in β ladder)trans-96.3105173.3-170.4-17.4000109.5E62 R63 G64 E65 V67D60-E62 PolarHBondContact O-N 3.14Å; D60-E62 PolarHBondContact OD1-N 3.43Å; D60-E62 VanDerWaalsContact OD1-N 3.16Å; D60-R63 HydrophobicContact CB-CB 4.29Å; D60-R63 PolarHBondContact O-N 2.79Å; D60-R63 WeakPolarHBondContact OD2-CD 3.33Å; D60-R63 IonicContact OD2-NE 3.05Å; D60-G64 PolarHBondContact O-N 3.36Å; D60-E65 PolarHBondContact N-O 2.91Å; D60-V67 HydrophobicContact CB-CG2 3.78Å
61A69.5Low72.5Confident86 Ų86102.7 Ų102.771%0.71152%0.522SS*.THydrogen-bonded Turntrans-66.7-21.9-176.200000113.5
62E69.1Low71.3Confident189 Ų189103.4 Ų103.488%0.88353%0.53SS*.THydrogen-bonded Turntrans-80.5-28.5177.9-63.3-173.5167.400112D60D60-E62 PolarHBondContact O-N 3.14Å; D60-E62 PolarHBondContact OD1-N 3.43Å; D60-E62 VanDerWaalsContact OD1-N 3.16Å
63R68.2Low69.7Low184 Ų18499.8 Ų99.869%0.69453%0.525SS*.THydrogen-bonded Turntrans-101.5-20.6-177.9-63.8-176.5176.1-125.2-3.1113.8D60 E65D60-R63 HydrophobicContact CB-CB 4.29Å; D60-R63 PolarHBondContact O-N 2.79Å; D60-R63 WeakPolarHBondContact OD2-CD 3.33Å; D60-R63 IonicContact OD2-NE 3.05Å; R63-E65 VanDerWaalsContact C-N 3.27Å; R63-E65 HydrophobicContact CB-CB 4.47Å
64G73.7Confident67.7Low43 Ų43105 Ų10544%0.44354%0.54SS..THydrogen-bonded Turntrans67.628.5-174.600000113W59 D60W59-G64 VanDerWaalsContact CH2-C 3.5Å; W59-G64 VanDerWaalsContact CH2-O 3.3Å; W59-G64 WeakPolarHBondContact CH2-O 3.43Å; D60-G64 PolarHBondContact O-N 3.36Å
65E78.7Confident65.8Low127 Ų127108.3 Ų108.359%0.59355%0.553SS**EExtended strand (participates in β ladder)trans-134.1153.3-174.3-69.3-176.4166.600111.6D60 R63D60-E65 PolarHBondContact N-O 2.91Å; R63-E65 VanDerWaalsContact C-N 3.27Å; R63-E65 HydrophobicContact CB-CB 4.47Å
66W78.9Confident63.7Low90 Ų90113.7 Ų113.734%0.34158%0.575SS.*EExtended strand (participates in β ladder)trans-85.5118.5173.4-74.399.9000110.6W46 H48 R57 W59W46-W66 HydrophobicContact CB-CH2 3.89Å; W46-W66 HydrophobicContact CB-CZ3 4.33Å; W46-W66 WeakPolarHBondContact O-CZ3 3.42Å; H48-W66 HydrophobicContact CB-CE3 4.05Å; H48-W66 HydrophobicContact CB-CH2 3.63Å; H48-W66 HydrophobicContact CB-CZ2 4.23Å; H48-W66 HydrophobicContact CB-CZ3 3.53Å; R57-W66 HydrophobicContact CB-CB 4.21Å; R57-W66 HydrophobicContact CB-CD2 4.4Å; R57-W66 HydrophobicContact CB-CE3 3.74Å; W59-W66 HydrophobicContact CB-CE3 4.15Å; W59-W66 HydrophobicContact CB-CH2 4.16Å; W59-W66 HydrophobicContact CB-CZ3 3.94Å; W59-W66 AromaticContact CE3-CD1 3.7Å; W59-W66 AromaticContact CE3-CD2 3.77Å; W59-W66 HydrophobicContact CE3-CD2 3.77Å; W59-W66 AromaticContact CE3-CE2 3.53Å; W59-W66 HydrophobicContact CE3-CE3 4.47Å; W59-W66 AromaticContact CE3-CG 3.89Å; W59-W66 HydrophobicContact CE3-CG 3.89Å; W59-W66 HydrophobicContact CE3-CZ2 4.08Å; W59-W66 AromaticContact CE3-NE1 3.47Å; W59-W66 AromaticContact CZ3-CD1 3.63Å; W59-W66 HydrophobicContact CZ3-CD2 4.48Å; W59-W66 HydrophobicContact CZ3-CG 4.23Å; W59-W66 AromaticContact CZ3-NE1 3.52Å
67V81.2Confident61.6Low70 Ų70118.5 Ų118.542%0.42460%0.596SS.*EExtended strand (participates in β ladder)trans-100.8131.1-178-1710000110.3R57 V58 D60R57-V67 WeakPolarHBondContact CA-O 3.38Å; V58-V67 PolarHBondContact N-O 3.21Å; V58-V67 PolarHBondContact O-N 3.42Å; D60-V67 HydrophobicContact CB-CG2 3.78Å
68L80.4Confident59.3Low104 Ų104119.1 Ų119.155%0.54561%0.613SS.*EExtended strand (participates in β ladder)trans-69.8130.3174.7-107.2104000110.5V55V55-L68 HydrophobicContact CG1-CD1 4.4Å; V55-L68 HydrophobicContact CG1-CD2 3.59Å; V55-L68 HydrophobicContact CG1-CG 3.74Å
69R65Low57.1Low152 Ų152127 Ų12757%0.57465%0.649SS**  trans-101.1104.1173.5-155.6172.2-173.4165.1-0.6109.6Y47 L56 V58Y47-R69 PolarHBondContact OH-NH1 2.87Å; L56-R69 PolarHBondContact O-N 3.19Å; V58-R69 HydrophobicContact CG2-CB 4.46Å
70T53.5Low54.8Low99 Ų99127.5 Ų127.561%0.60767%0.672SS**  trans-84.8137.716936.50000110.1D72T70-D72 PolarHBondContact O-N 3.48Å
71E53.8Low52.6Low198 Ų198132.9 Ų132.993%0.92570%0.699SS**SBendtrans-65.71.8-171.1-63.2-175.9153.800115.5
72D38.6Very low50.7Low154 Ų154132.7 Ų132.782%0.82470%0.698SS**  trans-101.329.5-165.9-69.1-39.8000116.5T70T70-D72 PolarHBondContact O-N 3.48Å
73S34.7Very low48.8Very low106 Ų106131.2 Ų131.274%0.74170%0.696SS**  trans-14191.3172.542.80000112.7
74K31.6Very low47Very low200 Ų200130.8 Ų130.887%0.8770%0.702SS**  trans-109.9132.2172.2-142.4-178.5-167.9179.40109.1
75P30.6Very low44.9Very low120 Ų120134.2 Ų134.278%0.77972%0.719SS**  trans-93121151.1-8.526.7000110.7
76Q32.5Very low42.9Very low157 Ų157132.2 Ų132.273%0.73471%0.709SS**  trans24.6112.5148.8-66.7-173.6-90.800119.7
77E35.7Very low41Very low156 Ų156136.8 Ų136.873%0.72973%0.734SS**  99.194.196.3-84176.715500110.2
78S32.5Very low39.1Very low101 Ų101137.6 Ų137.671%0.70674%0.74SS**  71.7120.495.164.70000111.9
79E35.9Very low37.4Very low193 Ų193138.6 Ų138.690%0.90274%0.741SS**  -138129.962.7-68.3176.2156.100112.9
80A29.7Very low36.5Very low100 Ų100139.5 Ų139.583%0.82675%0.752SS**  trans-106.6126.9165.900000107.7
81I31.6Very low36.5Very low161 Ų161140.2 Ų140.283%0.82675%0.753SS**  trans-109.1106.9158.5-64.8178.3000106.5
82A28.6Very low36.9Very low83 Ų83135.8 Ų135.869%0.68674%0.735SS**  trans19.7103.6154.100000119.1
83N29.5Very low37.9Very low158 Ų158135.2 Ų135.285%0.84573%0.726SS**  trans-88.692.3150.5-77-4.7000108.4
84E30.2Very low39.5Very low175 Ų175135.7 Ų135.782%0.81872%0.716SS**  trans-94.8126.6147-79.9-175.3160.700106.7
85S29.4Very low41.2Very low114 Ų114132.1 Ų132.180%0.79770%0.701SS**  trans57.496170.8570000117
86H36.5Very low43.3Very low85 Ų85132.1 Ų132.139%0.39469%0.69SS.*  trans-141.352.3163.6-146.8-56.2000113.5T88 E89H86-T88 PolarHBondContact CE1-OG1 2.75Å; H86-T88 PolarHBondContact O-N 3.27Å; H86-E89 IonicContact CD2-OE1 2.69Å; H86-E89 IonicContact CD2-OE2 3.77Å; H86-E89 VanDerWaalsContact CE1-CA 3.49Å; H86-E89 WeakPolarHBondContact CE1-CA 3.43Å; H86-E89 WeakPolarHBondContact CE1-CB 3.4Å; H86-E89 WeakPolarHBondContact CE1-CG 3.33Å; H86-E89 PolarHBondContact CE1-N 2.9Å; H86-E89 IonicContact CE1-OE1 3.61Å; H86-E89 PolarHBondContact CE1-OE1 2.97Å; H86-E89 IonicContact CE1-OE2 3.5Å; H86-E89 IonicContact CG-OE2 2.9Å; H86-E89 VanDerWaalsContact ND1-CB 3.31Å; H86-E89 WeakPolarHBondContact ND1-CB 3.43Å; H86-E89 PolarHBondContact ND1-N 2.87Å; H86-E89 IonicContact ND1-OE2 3.63Å; H86-E89 WeakPolarHBondContact NE2-CG 3.47Å; H86-E89 IonicContact NE2-OE1 3.6Å; H86-E89 PolarHBondContact NE2-OE1 2.98Å; H86-E89 IonicContact NE2-OE2 3.03Å
87E38.6Very low45.2Very low186 Ų186129.1 Ų129.187%0.86968%0.679SS**THydrogen-bonded Turntrans-82.125.6168.3-69.8-176.316500112.4
88T42.6Very low47.1Very low88 Ų88129.8 Ų129.854%0.5468%0.675SS.*THydrogen-bonded Turntrans-130.2-5.9-172.249.40000116.7H86 D92H86-T88 PolarHBondContact CE1-OG1 2.75Å; H86-T88 PolarHBondContact O-N 3.27Å; T88-D92 WeakPolarHBondContact O-CB 3.46Å; T88-D92 PolarHBondContact O-N 3Å
89E43.9Very low48.9Very low124 Ų124130.9 Ų130.958%0.57967%0.669SS**Hα-helixtrans-99.9-33.3-174.7-96.3159-162.600112H86 D91 D92 F93H86-E89 IonicContact CD2-OE1 2.69Å; H86-E89 IonicContact CD2-OE2 3.77Å; H86-E89 VanDerWaalsContact CE1-CA 3.49Å; H86-E89 WeakPolarHBondContact CE1-CA 3.43Å; H86-E89 WeakPolarHBondContact CE1-CB 3.4Å; H86-E89 WeakPolarHBondContact CE1-CG 3.33Å; H86-E89 PolarHBondContact CE1-N 2.9Å; H86-E89 IonicContact CE1-OE1 3.61Å; H86-E89 PolarHBondContact CE1-OE1 2.97Å; H86-E89 IonicContact CE1-OE2 3.5Å; H86-E89 IonicContact CG-OE2 2.9Å; H86-E89 VanDerWaalsContact ND1-CB 3.31Å; H86-E89 WeakPolarHBondContact ND1-CB 3.43Å; H86-E89 PolarHBondContact ND1-N 2.87Å; H86-E89 IonicContact ND1-OE2 3.63Å; H86-E89 WeakPolarHBondContact NE2-CG 3.47Å; H86-E89 IonicContact NE2-OE1 3.6Å; H86-E89 PolarHBondContact NE2-OE1 2.98Å; H86-E89 IonicContact NE2-OE2 3.03Å; E89-D91 VanDerWaalsContact C-N 3.33Å; E89-D92 PolarHBondContact O-N 3.25Å; E89-F93 WeakPolarHBondContact O-CB 3.46Å; E89-F93 PolarHBondContact O-N 3.41Å
90E45.6Very low50.6Low171 Ų171127 Ų12780%0.79965%0.65SS**Hα-helixtrans-68.9-37.9174.5-66-174.2165.900110.2F93 E94E90-F93 PolarHBondContact O-N 2.88Å; E90-E94 WeakPolarHBondContact O-CB 3.19Å; E90-E94 PolarHBondContact O-N 3.45Å
91D54Low52.6Low115 Ų115124.9 Ų124.962%0.61563%0.633SS**Hα-helixtrans-66.2-39.8170.6-90.9-10.4000111.9E89 F95E89-D91 VanDerWaalsContact C-N 3.33Å; D91-F95 WeakPolarHBondContact O-CB 3.42Å; D91-F95 PolarHBondContact O-N 3.33Å
92D63.1Low54.5Low105 Ų105119.5 Ų119.556%0.56161%0.613SS**Hα-helixtrans-67.5-38.1175.7-95.8-4.4000112.1T88 E89 F95 Q96T88-D92 WeakPolarHBondContact O-CB 3.46Å; T88-D92 PolarHBondContact O-N 3Å; E89-D92 PolarHBondContact O-N 3.25Å; D92-F95 PolarHBondContact O-N 3.46Å; D92-Q96 VanDerWaalsContact O-CB 3.23Å; D92-Q96 WeakPolarHBondContact O-CB 3.44Å; D92-Q96 PolarHBondContact O-N 2.67Å
93F59.7Low56.4Low142 Ų142117.7 Ų117.762%0.62360%0.595SS**Hα-helixtrans-70.1-41.4177.8-167.5-98.4000111.7E89 E90 Q96 L97E89-F93 WeakPolarHBondContact O-CB 3.46Å; E89-F93 PolarHBondContact O-N 3.41Å; E90-F93 PolarHBondContact O-N 2.88Å; F93-Q96 PolarHBondContact O-N 3.38Å; F93-L97 HydrophobicContact CD1-CD1 3.75Å; F93-L97 HydrophobicContact CE1-CD1 3.53Å; F93-L97 HydrophobicContact CE1-CG 4.3Å; F93-L97 HydrophobicContact CZ-CD1 4.41Å; F93-L97 WeakPolarHBondContact O-CB 3.45Å; F93-L97 PolarHBondContact O-N 2.86Å
94E67.1Low58.1Low116 Ų116115.3 Ų115.354%0.54258%0.582SS.*Hα-helixtrans-70.8-33.2175.6-155.3176.1-161.400111.7E90 R98E90-E94 WeakPolarHBondContact O-CB 3.19Å; E90-E94 PolarHBondContact O-N 3.45Å; E94-R98 WeakPolarHBondContact O-CB 3.4Å; E94-R98 PolarHBondContact O-N 3.37Å
95F68.9Low59.7Low125 Ų125109.3 Ų109.355%0.54856%0.562SS.*Hα-helixtrans-66.9-40.4171-167.3-90.4000111.8D91 D92 R98 E99D91-F95 WeakPolarHBondContact O-CB 3.42Å; D91-F95 PolarHBondContact O-N 3.33Å; D92-F95 PolarHBondContact O-N 3.46Å; F95-R98 CarbonylContact O-C 3.59Å; F95-R98 WeakPolarHBondContact O-CB 3.18Å; F95-R98 PolarHBondContact O-N 3.21Å; F95-E99 HydrophobicContact CD1-CG 4.4Å; F95-E99 HydrophobicContact CE1-CG 4.03Å; F95-E99 PolarHBondContact O-N 2.87Å
96Q74.5Confident61.2Low120 Ų120112.9 Ų112.956%0.56156%0.558SS**Hα-helixtrans-69.3-40.2177.2-173151.2-1000112.4D92 F93 R98 E99 E100D92-Q96 VanDerWaalsContact O-CB 3.23Å; D92-Q96 WeakPolarHBondContact O-CB 3.44Å; D92-Q96 PolarHBondContact O-N 2.67Å; F93-Q96 PolarHBondContact O-N 3.38Å; Q96-R98 VanDerWaalsContact C-N 3.28Å; Q96-R98 PolarHBondContact O-N 3.45Å; Q96-E99 PolarHBondContact O-N 3.43Å; Q96-E100 WeakPolarHBondContact O-CB 3.25Å; Q96-E100 PolarHBondContact O-N 2.77Å
97L72.4Confident62.1Low93 Ų93115.6 Ų115.649%0.48757%0.569SS.*Hα-helixtrans-59.8-38.8169.7-87.2163.8000111.9F93 A101F93-L97 HydrophobicContact CD1-CD1 3.75Å; F93-L97 HydrophobicContact CE1-CD1 3.53Å; F93-L97 HydrophobicContact CE1-CG 4.3Å; F93-L97 HydrophobicContact CZ-CD1 4.41Å; F93-L97 WeakPolarHBondContact O-CB 3.45Å; F93-L97 PolarHBondContact O-N 2.86Å; L97-A101 WeakPolarHBondContact O-CB 3.22Å; L97-A101 PolarHBondContact O-N 2.91Å
98R74.5Confident62.3Low170 Ų170113.4 Ų113.464%0.64256%0.559SS**Hα-helixtrans-71.3-38.8177.1-169.4179-65.5-175.83.2112.4E94 F95 Q96 A102E94-R98 WeakPolarHBondContact O-CB 3.4Å; E94-R98 PolarHBondContact O-N 3.37Å; F95-R98 CarbonylContact O-C 3.59Å; F95-R98 WeakPolarHBondContact O-CB 3.18Å; F95-R98 PolarHBondContact O-N 3.21Å; Q96-R98 VanDerWaalsContact C-N 3.28Å; Q96-R98 PolarHBondContact O-N 3.45Å; R98-A102 WeakPolarHBondContact O-CB 3.46Å; R98-A102 PolarHBondContact O-N 3.47Å
99E71.6Confident62.1Low125 Ų125112.7 Ų112.758%0.58456%0.557SS**Hα-helixtrans-67.3-41.5173.3-97.5-153.7138.600112.1F95 Q96 A102 S103F95-E99 HydrophobicContact CD1-CG 4.4Å; F95-E99 HydrophobicContact CE1-CG 4.03Å; F95-E99 PolarHBondContact O-N 2.87Å; Q96-E99 PolarHBondContact O-N 3.43Å; E99-A102 PolarHBondContact O-N 3.41Å; E99-S103 VanDerWaalsContact O-CB 3.3Å; E99-S103 WeakPolarHBondContact O-CB 3.36Å; E99-S103 PolarHBondContact O-N 2.93Å
100E70.9Confident62Low110 Ų110114 Ų11451%0.51457%0.568SS.*Hα-helixtrans-60.8-46173.9-81.8-167.2154.900110.9Q96 A102 S103 L104Q96-E100 WeakPolarHBondContact O-CB 3.25Å; Q96-E100 PolarHBondContact O-N 2.77Å; E100-A102 PolarHBondContact O-N 3.15Å; E100-S103 PolarHBondContact O-N 2.91Å; E100-S103 PolarHBondContact O-OG 3.28Å; E100-L104 WeakPolarHBondContact O-CB 3.47Å; E100-L104 VanDerWaalsContact O-CG 3.3Å; E100-L104 WeakPolarHBondContact O-CG 3.23Å; E100-L104 PolarHBondContact O-N 2.77Å
101A72Confident61.6Low57 Ų57109.1 Ų109.147%0.47155%0.553SS.*Hα-helixtrans-60.8-41.5175.100000112.8L97 L104 A105L97-A101 WeakPolarHBondContact O-CB 3.22Å; L97-A101 PolarHBondContact O-N 2.91Å; A101-L104 PolarHBondContact O-N 3.22Å; A101-A105 WeakPolarHBondContact O-CB 3.46Å; A101-A105 PolarHBondContact O-N 3.47Å
102A71.7Confident60.6Low48 Ų48111 Ų11140%0.39756%0.563SS.*Hα-helixtrans-70.2-33.9176.400000112.7R98 E99 E100 R106R98-A102 WeakPolarHBondContact O-CB 3.46Å; R98-A102 PolarHBondContact O-N 3.47Å; E99-A102 PolarHBondContact O-N 3.41Å; E100-A102 PolarHBondContact O-N 3.15Å; A102-R106 WeakPolarHBondContact O-CG 3.37Å; A102-R106 PolarHBondContact O-N 2.91Å
103S68.6Low59.2Low44 Ų44111.9 Ų111.931%0.30858%0.577SS.*Hα-helixtrans-70.3-36.7175.584.80000111.9E99 E100 R106 K107E99-S103 VanDerWaalsContact O-CB 3.3Å; E99-S103 WeakPolarHBondContact O-CB 3.36Å; E99-S103 PolarHBondContact O-N 2.93Å; E100-S103 PolarHBondContact O-N 2.91Å; E100-S103 PolarHBondContact O-OG 3.28Å; S103-R106 PolarHBondContact O-N 3.04Å; S103-K107 WeakPolarHBondContact O-CB 3.33Å; S103-K107 VanDerWaalsContact O-CG 3.29Å; S103-K107 WeakPolarHBondContact O-CG 3.48Å; S103-K107 PolarHBondContact O-N 2.82Å
104L65.6Low58Low108 Ų108110.1 Ų110.157%0.56558%0.582SS**Hα-helixtrans-67-42.9173.3-74.7167.3000110.7E100 A101 R106 K107 E108E100-L104 WeakPolarHBondContact O-CB 3.47Å; E100-L104 VanDerWaalsContact O-CG 3.3Å; E100-L104 WeakPolarHBondContact O-CG 3.23Å; E100-L104 PolarHBondContact O-N 2.77Å; A101-L104 PolarHBondContact O-N 3.22Å; L104-R106 PolarHBondContact O-N 3.41Å; L104-K107 CarbonylContact O-C 3.54Å; L104-K107 PolarHBondContact O-N 2.84Å; L104-E108 WeakPolarHBondContact O-CB 3.49Å; L104-E108 PolarHBondContact O-N 3.07Å
105A63.4Low57.2Low50 Ų50110.3 Ų110.341%0.41359%0.587SS.*Hα-helixtrans-64.3-36.3174.800000113.1A101 E108 S109A101-A105 WeakPolarHBondContact O-CB 3.46Å; A101-A105 PolarHBondContact O-N 3.47Å; A105-E108 WeakPolarHBondContact O-CB 3.48Å; A105-E108 PolarHBondContact O-N 2.85Å; A105-S109 PolarHBondContact O-N 2.79Å; A105-S109 VanDerWaalsContact O-N 3.13Å
106R59.7Low56.8Low189 Ų189109.2 Ų109.271%0.71359%0.592SS**Hα-helixtrans-69.5-39.7172.8-75-177.6-168.2-179.16.5112.2A102 S103 L104 E108 S109 D110A102-R106 WeakPolarHBondContact O-CG 3.37Å; A102-R106 PolarHBondContact O-N 2.91Å; S103-R106 PolarHBondContact O-N 3.04Å; L104-R106 PolarHBondContact O-N 3.41Å; R106-E108 VanDerWaalsContact C-N 3.32Å; R106-S109 PolarHBondContact O-N 2.85Å; R106-S109 PolarHBondContact O-OG 2.88Å; R106-D110 PolarHBondContact O-N 3.46Å
107K55.4Low56.7Low142 Ų142107 Ų10762%0.61758%0.581SS**Hα-helixtrans-66.7-31.4173.4-74.6168.8-178.5167.60112.3S103 L104 S111S103-K107 WeakPolarHBondContact O-CB 3.33Å; S103-K107 VanDerWaalsContact O-CG 3.29Å; S103-K107 WeakPolarHBondContact O-CG 3.48Å; S103-K107 PolarHBondContact O-N 2.82Å; L104-K107 CarbonylContact O-C 3.54Å; L104-K107 PolarHBondContact O-N 2.84Å; K107-S111 WeakPolarHBondContact O-CB 3.08Å; K107-S111 PolarHBondContact O-N 2.88Å; K107-S111 PolarHBondContact O-OG 3.37Å
108E43.8Very low56.8Low140 Ų140105.4 Ų105.465%0.65457%0.573SS**Hα-helixtrans-63.9-39169.5-102-177.5153.400111.9L104 A105 R106 S111L104-E108 WeakPolarHBondContact O-CB 3.49Å; L104-E108 PolarHBondContact O-N 3.07Å; A105-E108 WeakPolarHBondContact O-CB 3.48Å; A105-E108 PolarHBondContact O-N 2.85Å; R106-E108 VanDerWaalsContact C-N 3.32Å; E108-S111 PolarHBondContact O-OG 2.88Å
109S38.9Very low56.8Low73 Ų73102.2 Ų102.251%0.5156%0.562SS.*Hα-helixtrans-75.1-22.2179.467.50000114.8A105 R106 L112A105-S109 PolarHBondContact O-N 2.79Å; A105-S109 VanDerWaalsContact O-N 3.13Å; R106-S109 PolarHBondContact O-N 2.85Å; R106-S109 PolarHBondContact O-OG 2.88Å; S109-L112 VanDerWaalsContact O-CD1 3.27Å; S109-L112 WeakPolarHBondContact O-CD1 3.04Å
110D40.8Very low57.3Low150 Ų150103.9 Ų103.980%0.80256%0.563SS**THydrogen-bonded Turntrans-96.2-3179-89.4-21.8000113.9R106R106-D110 PolarHBondContact O-N 3.46Å
111S36.5Very low57.7Low69 Ų69100.4 Ų100.448%0.48355%0.548SS..  trans-109.329.8-17855.10000114K107 E108 S113K107-S111 WeakPolarHBondContact O-CB 3.08Å; K107-S111 PolarHBondContact O-N 2.88Å; K107-S111 PolarHBondContact O-OG 3.37Å; E108-S111 PolarHBondContact O-OG 2.88Å; S111-S113 PolarHBondContact O-N 3.49Å
112L33.1Very low58Low156 Ų156103.5 Ų103.582%0.81756%0.563SS**THydrogen-bonded Turntrans-63.764.3165.7-90.1114.8000111.8S109S109-L112 VanDerWaalsContact O-CD1 3.27Å; S109-L112 WeakPolarHBondContact O-CD1 3.04Å
113S34.2Very low57.9Low123 Ų123106 Ų10686%0.8658%0.578SS**THydrogen-bonded Turntrans-166.9-1168.5-153.20000116.3S111S111-S113 PolarHBondContact O-N 3.49Å
114S34.4Very low58Low105 Ų105106.6 Ų106.673%0.73458%0.577SS**SBendtrans-153.3131.7-179.2-170.40000111.7
115N51.2Low58.4Low119 Ų119106.6 Ų106.664%0.63658%0.578SS**  trans-44.6120.6-166.9-65.6-44.4000115H117 L118N115-H117 PolarHBondContact O-N 3.29Å; N115-H117 VanDerWaalsContact O-N 3.11Å; N115-L118 HydrophobicContact CB-CD1 4.13Å; N115-L118 PolarHBondContact O-N 3.37Å
116P60.9Low58.9Low103 Ų103106.3 Ų106.367%0.66957%0.571SS**THydrogen-bonded Turntrans-71.3-4.4-174.627-34.3000115.4
117H70.4Confident59.9Low72 Ų7298.7 Ų98.733%0.33355%0.546SS..THydrogen-bonded Turntrans-100.110.6-178.9-62.9-77.3000113.8N115 E129 W130 E132N115-H117 PolarHBondContact O-N 3.29Å; N115-H117 VanDerWaalsContact O-N 3.11Å; H117-E129 CarbonylContact O-C 3.51Å; H117-E129 WeakPolarHBondContact O-CA 3.43Å; H117-W130 PolarHBondContact O-N 2.81Å; H117-E132 IonicContact CE1-OE1 3.88Å; H117-E132 PolarHBondContact CE1-OE1 3.27Å; H117-E132 VanDerWaalsContact CE1-OE1 3.3Å
118L74.7Confident61.2Low60 Ų6094.5 Ų94.531%0.31453%0.526SS..EExtended strand (participates in β ladder)trans-124.7119.8-174.8-62.2172.9000112.2N115 V127 Y128 E129 K140N115-L118 HydrophobicContact CB-CD1 4.13Å; N115-L118 PolarHBondContact O-N 3.37Å; L118-V127 HydrophobicContact CD2-CG1 4Å; L118-Y128 CarbonylContact C-O 3.54Å; L118-Y128 VanDerWaalsContact CA-O 3.27Å; L118-Y128 WeakPolarHBondContact CA-O 3.5Å; L118-E129 HydrophobicContact CD2-CB 4.08Å; L118-E129 HydrophobicContact CD2-CG 4.24Å; L118-K140 HydrophobicContact CD2-CD 3.4Å; L118-K140 VanDerWaalsContact CD2-CD 3.4Å
119Y76.3Confident63Low104 Ų10492 Ų9241%0.40852%0.515SS..EExtended strand (participates in β ladder)trans-106.6138.2170.5173.4-109.2000109.1D121 V127 Y128 W137Y119-D121 HydrophobicContact CE1-CB 3.74Å; Y119-V127 CarbonylContact O-C 3.58Å; Y119-V127 WeakPolarHBondContact O-CA 3.36Å; Y119-Y128 AromaticContact CD1-CD2 3.81Å; Y119-Y128 HydrophobicContact CD1-CD2 3.81Å; Y119-Y128 HydrophobicContact CD1-CG 4.32Å; Y119-Y128 HydrophobicContact CE1-CD2 4.36Å; Y119-Y128 PolarHBondContact N-O 3.29Å; Y119-Y128 PolarHBondContact O-N 3.47Å; Y119-W137 VanDerWaalsContact CB-CZ3 3.44Å
120R80.8Confident65.1Low160 Ų16092.4 Ų92.460%0.60451%0.505SS*.EExtended strand (participates in β ladder)trans-112.4121.3166.9-96.9-171.5-169.9-160.23.1107.7N125 V127R120-N125 PolarHBondContact NH1-OD1 3.11Å; R120-V127 HydrophobicContact CG-CB 4.41Å; R120-V127 HydrophobicContact CG-CG2 3.76Å
121D78.5Confident66.9Low37 Ų3787.1 Ų87.120%0.19848%0.477CS..  trans-74128.5174.5-177.2-35.7000109.4Y119 S123 D124 N125 T126 Y128Y119-D121 HydrophobicContact CE1-CB 3.74Å; D121-S123 PolarHBondContact O-N 2.79Å; D121-S123 WeakPolarHBondContact OD1-CB 3.45Å; D121-S123 PolarHBondContact OD1-N 3.38Å; D121-S123 PolarHBondContact OD1-OG 2.76Å; D121-D124 VanDerWaalsContact CB-OD1 3.23Å; D121-D124 WeakPolarHBondContact CB-OD1 3.37Å; D121-N125 VanDerWaalsContact O-CA 3.28Å; D121-N125 WeakPolarHBondContact O-CA 3.47Å; D121-N125 PolarHBondContact O-N 3.3Å; D121-T126 PolarHBondContact N-O 3.24Å; D121-T126 VanDerWaalsContact N-O 3.17Å; D121-Y128 HydrophobicContact CB-CD2 4.42Å; D121-Y128 HydrophobicContact CB-CE2 3.89Å
122P78.3Confident68.8Low121 Ų12190.2 Ų90.279%0.78648%0.484SS*.THydrogen-bonded Turntrans-65.6-17.6179.9-18.930.7000115.1
123S70.4Confident70.7Confident101 Ų10190.5 Ų90.571%0.70648%0.481SS*.THydrogen-bonded Turntrans-92.9-33.4-170.768.10000113.9D121D121-S123 PolarHBondContact O-N 2.79Å; D121-S123 WeakPolarHBondContact OD1-CB 3.45Å; D121-S123 PolarHBondContact OD1-N 3.38Å; D121-S123 PolarHBondContact OD1-OG 2.76Å
124D71.6Confident72.7Confident56 Ų5690.6 Ų90.630%0.29947%0.466SS..THydrogen-bonded Turntrans-123.6-4.4-17867.40.4000113D121 T126D121-D124 VanDerWaalsContact CB-OD1 3.23Å; D121-D124 WeakPolarHBondContact CB-OD1 3.37Å; D124-T126 PolarHBondContact O-N 3.35Å; D124-T126 VanDerWaalsContact OD1-CB 3.27Å; D124-T126 WeakPolarHBondContact OD1-CB 3.41Å; D124-T126 PolarHBondContact OD1-N 2.89Å; D124-T126 PolarHBondContact OD1-OG1 2.91Å; D124-T126 VanDerWaalsContact OD2-CB 3.31Å; D124-T126 WeakPolarHBondContact OD2-CB 3.29Å; D124-T126 PolarHBondContact OD2-OG1 3.32Å
125N72.8Confident74.9Confident108 Ų10895.5 Ų95.558%0.57847%0.468SS*.  trans56.416.5-175.3-15121.1000113.3R120 D121 V127R120-N125 PolarHBondContact NH1-OD1 3.11Å; D121-N125 VanDerWaalsContact O-CA 3.28Å; D121-N125 WeakPolarHBondContact O-CA 3.47Å; D121-N125 PolarHBondContact O-N 3.3Å; N125-V127 PolarHBondContact O-N 2.73Å
126T74.9Confident76.1Confident45 Ų4591.6 Ų91.628%0.27645%0.452SS..  trans-68.6126.2175.3-57.80000108.1D121 D124 Y128 P139D121-T126 PolarHBondContact N-O 3.24Å; D121-T126 VanDerWaalsContact N-O 3.17Å; D124-T126 PolarHBondContact O-N 3.35Å; D124-T126 VanDerWaalsContact OD1-CB 3.27Å; D124-T126 WeakPolarHBondContact OD1-CB 3.41Å; D124-T126 PolarHBondContact OD1-N 2.89Å; D124-T126 PolarHBondContact OD1-OG1 2.91Å; D124-T126 VanDerWaalsContact OD2-CB 3.31Å; D124-T126 WeakPolarHBondContact OD2-CB 3.29Å; D124-T126 PolarHBondContact OD2-OG1 3.32Å; T126-Y128 HydrophobicContact CG2-CD2 4.26Å; T126-Y128 HydrophobicContact CG2-CE1 4.5Å; T126-Y128 HydrophobicContact CG2-CE2 3.76Å; T126-Y128 WeakPolarHBondContact O-CD2 3.23Å; T126-P139 HydrophobicContact CG2-CB 3.81Å
127V80.7Confident77.1Confident29 Ų2992.4 Ų92.418%0.17644%0.442CS..EExtended strand (participates in β ladder)trans-81.9127.2172.8-174.20000107L118 Y119 R120 N125 P139 K140L118-V127 HydrophobicContact CD2-CG1 4Å; Y119-V127 CarbonylContact O-C 3.58Å; Y119-V127 WeakPolarHBondContact O-CA 3.36Å; R120-V127 HydrophobicContact CG-CB 4.41Å; R120-V127 HydrophobicContact CG-CG2 3.76Å; N125-V127 PolarHBondContact O-N 2.73Å; V127-P139 CarbonylContact O-C 3.6Å; V127-P139 WeakPolarHBondContact O-CA 2.8Å; V127-K140 HydrophobicContact CB-CB 4.11Å; V127-K140 HydrophobicContact CG1-CB 3.97Å; V127-K140 HydrophobicContact CG1-CD 4.03Å; V127-K140 WeakPolarHBondContact O-CA 3.35Å; V127-K140 WeakPolarHBondContact O-CB 2.99Å; V127-K140 PolarHBondContact O-N 3.07Å
128Y81.4Confident77.2Confident53 Ų5392.9 Ų92.921%0.20844%0.444CS..EExtended strand (participates in β ladder)trans-106.7140.5171.3-65.5-97.3000109.8L118 Y119 D121 T126 W137 F138 P139L118-Y128 CarbonylContact C-O 3.54Å; L118-Y128 VanDerWaalsContact CA-O 3.27Å; L118-Y128 WeakPolarHBondContact CA-O 3.5Å; Y119-Y128 AromaticContact CD1-CD2 3.81Å; Y119-Y128 HydrophobicContact CD1-CD2 3.81Å; Y119-Y128 HydrophobicContact CD1-CG 4.32Å; Y119-Y128 HydrophobicContact CE1-CD2 4.36Å; Y119-Y128 PolarHBondContact N-O 3.29Å; Y119-Y128 PolarHBondContact O-N 3.47Å; D121-Y128 HydrophobicContact CB-CD2 4.42Å; D121-Y128 HydrophobicContact CB-CE2 3.89Å; T126-Y128 HydrophobicContact CG2-CD2 4.26Å; T126-Y128 HydrophobicContact CG2-CE1 4.5Å; T126-Y128 HydrophobicContact CG2-CE2 3.76Å; T126-Y128 WeakPolarHBondContact O-CD2 3.23Å; Y128-W137 HydrophobicContact CD1-CB 4.18Å; Y128-W137 HydrophobicContact CG-CB 4.5Å; Y128-F138 CarbonylContact C-O 3.47Å; Y128-F138 VanDerWaalsContact CA-O 3.26Å; Y128-F138 WeakPolarHBondContact CA-O 3.36Å; Y128-P139 HydrophobicContact CD1-CB 4.22Å; Y128-P139 HydrophobicContact CE1-CB 4.1Å
129E82.4Confident77.4Confident89 Ų8993.6 Ų93.642%0.41645%0.452SS..EExtended strand (participates in β ladder)trans-106.3128.7171.5-171.5164.6169.500109.6H117 L118 D131 F138 K140H117-E129 CarbonylContact O-C 3.51Å; H117-E129 WeakPolarHBondContact O-CA 3.43Å; L118-E129 HydrophobicContact CD2-CB 4.08Å; L118-E129 HydrophobicContact CD2-CG 4.24Å; E129-D131 PolarHBondContact O-N 2.82Å; E129-F138 PolarHBondContact N-O 2.88Å; E129-F138 PolarHBondContact O-N 3.34Å; E129-K140 HydrophobicContact CB-CB 4.18Å; E129-K140 IonicContact OE2-NZ 3.57Å
130W81.8Confident77.1Confident80 Ų8092.4 Ų92.430%0.30345%0.449SS..EExtended strand (participates in β ladder)trans-75.3118.8175.5178.9-105.5000110.2H117 R135 W137H117-W130 PolarHBondContact O-N 2.81Å; W130-R135 HydrophobicContact CH2-CB 4.31Å; W130-R135 WeakPolarHBondContact CH2-O 3.48Å; W130-R135 HydrophobicContact CZ2-CB 4.2Å; W130-W137 HydrophobicContact CB-CD2 4.39Å; W130-W137 HydrophobicContact CB-CE3 3.88Å; W130-W137 HydrophobicContact CB-CH2 3.91Å; W130-W137 HydrophobicContact CB-CZ2 4.41Å; W130-W137 HydrophobicContact CB-CZ3 3.63Å; W130-W137 AromaticContact CE3-CD1 3.74Å; W130-W137 AromaticContact CE3-CD2 3.69Å; W130-W137 HydrophobicContact CE3-CD2 3.69Å; W130-W137 AromaticContact CE3-CE2 3.53Å; W130-W137 HydrophobicContact CE3-CE3 4.34Å; W130-W137 AromaticContact CE3-CG 3.83Å; W130-W137 HydrophobicContact CE3-CG 3.83Å; W130-W137 HydrophobicContact CE3-CZ2 4.07Å; W130-W137 AromaticContact CE3-NE1 3.55Å; W130-W137 AromaticContact CZ3-CD1 3.72Å; W130-W137 HydrophobicContact CZ3-CD2 4.44Å; W130-W137 HydrophobicContact CZ3-CG 4.21Å; W130-W137 AromaticContact CZ3-NE1 3.62Å
131D78.8Confident76.1Confident39 Ų3989.9 Ų89.921%0.20945%0.451CS..EExtended strand (participates in β ladder)trans-93.1106.6171.7-173.8-19.4000109E129 E133 K134 R135 A136 F138E129-D131 PolarHBondContact O-N 2.82Å; D131-E133 VanDerWaalsContact C-N 3.29Å; D131-E133 PolarHBondContact O-N 3.5Å; D131-E133 WeakPolarHBondContact OD1-CB 3.3Å; D131-E133 PolarHBondContact OD1-N 3.49Å; D131-E133 VanDerWaalsContact OD1-N 3.09Å; D131-K134 HydrophobicContact CB-CB 4.37Å; D131-K134 PolarHBondContact O-N 3.33Å; D131-K134 PolarHBondContact OD1-N 2.88Å; D131-K134 IonicContact OD2-NZ 3.11Å; D131-K134 PolarHBondContact OD2-NZ 3.23Å; D131-R135 WeakPolarHBondContact O-CA 3.15Å; D131-R135 PolarHBondContact O-N 2.89Å; D131-A136 PolarHBondContact N-O 3.5Å; D131-A136 PolarHBondContact O-N 3.47Å; D131-F138 HydrophobicContact CB-CD2 3.44Å; D131-F138 VanDerWaalsContact CB-CD2 3.44Å; D131-F138 HydrophobicContact CB-CE2 3.6Å
132E77.5Confident74.4Confident135 Ų13592.5 Ų92.563%0.63147%0.472SS*.THydrogen-bonded Turntrans-63-32.1-179.6-70.3-172.8160.900113.1H117 K134H117-E132 IonicContact CE1-OE1 3.88Å; H117-E132 PolarHBondContact CE1-OE1 3.27Å; H117-E132 VanDerWaalsContact CE1-OE1 3.3Å; E132-K134 VanDerWaalsContact C-N 3.34Å
133E72.6Confident72.6Confident161 Ų16189.6 Ų89.675%0.75245%0.454SS*.THydrogen-bonded Turntrans-69.8-36.6-179.6-68.3-173.4166.200110.9D131D131-E133 VanDerWaalsContact C-N 3.29Å; D131-E133 PolarHBondContact O-N 3.5Å; D131-E133 WeakPolarHBondContact OD1-CB 3.3Å; D131-E133 PolarHBondContact OD1-N 3.49Å; D131-E133 VanDerWaalsContact OD1-N 3.09Å
134K76.7Confident71.2Confident126 Ų12690.7 Ų90.755%0.54846%0.458SS..THydrogen-bonded Turntrans-97.9-8.2-177.6-61.7-171.4-162.7106.60113.8D131 E132 A136 F138D131-K134 HydrophobicContact CB-CB 4.37Å; D131-K134 PolarHBondContact O-N 3.33Å; D131-K134 PolarHBondContact OD1-N 2.88Å; D131-K134 IonicContact OD2-NZ 3.11Å; D131-K134 PolarHBondContact OD2-NZ 3.23Å; E132-K134 VanDerWaalsContact C-N 3.34Å; K134-A136 PolarHBondContact O-N 3.19Å; K134-F138 HydrophobicContact CB-CE2 3.93Å; K134-F138 HydrophobicContact CB-CZ 4.26Å; K134-F138 HydrophobicContact CD-CE1 4.42Å; K134-F138 HydrophobicContact CD-CE2 3.79Å; K134-F138 HydrophobicContact CD-CZ 3.45Å; K134-F138 VanDerWaalsContact CD-CZ 3.45Å; K134-F138 HydrophobicContact CG-CE2 4.44Å; K134-F138 HydrophobicContact CG-CZ 4.5Å
135R79.4Confident69.7Low207 Ų20794.5 Ų94.578%0.78148%0.479SS*.THydrogen-bonded Turntrans50.443.9-177.4-52176.391.9150.74.6111.3W130 D131W130-R135 HydrophobicContact CH2-CB 4.31Å; W130-R135 WeakPolarHBondContact CH2-O 3.48Å; W130-R135 HydrophobicContact CZ2-CB 4.2Å; D131-R135 WeakPolarHBondContact O-CA 3.15Å; D131-R135 PolarHBondContact O-N 2.89Å
136A77.5Confident68.3Low37 Ų3795 Ų9531%0.30648%0.476SS..EExtended strand (participates in β ladder)trans-144.8150.5-176.400000111.2D131 K134 F138D131-A136 PolarHBondContact N-O 3.5Å; D131-A136 PolarHBondContact O-N 3.47Å; K134-A136 PolarHBondContact O-N 3.19Å; A136-F138 HydrophobicContact CB-CE2 3.86Å; A136-F138 HydrophobicContact CB-CZ 4.4Å; A136-F138 WeakPolarHBondContact O-CD2 3.43Å
137W80.6Confident66.6Low120 Ų12098 Ų9846%0.45550%0.499SS..EExtended strand (participates in β ladder)trans-81.1127.4173.7-70.5102.8000110.5Y119 Y128 W130Y119-W137 VanDerWaalsContact CB-CZ3 3.44Å; Y128-W137 HydrophobicContact CD1-CB 4.18Å; Y128-W137 HydrophobicContact CG-CB 4.5Å; W130-W137 HydrophobicContact CB-CD2 4.39Å; W130-W137 HydrophobicContact CB-CE3 3.88Å; W130-W137 HydrophobicContact CB-CH2 3.91Å; W130-W137 HydrophobicContact CB-CZ2 4.41Å; W130-W137 HydrophobicContact CB-CZ3 3.63Å; W130-W137 AromaticContact CE3-CD1 3.74Å; W130-W137 AromaticContact CE3-CD2 3.69Å; W130-W137 HydrophobicContact CE3-CD2 3.69Å; W130-W137 AromaticContact CE3-CE2 3.53Å; W130-W137 HydrophobicContact CE3-CE3 4.34Å; W130-W137 AromaticContact CE3-CG 3.83Å; W130-W137 HydrophobicContact CE3-CG 3.83Å; W130-W137 HydrophobicContact CE3-CZ2 4.07Å; W130-W137 AromaticContact CE3-NE1 3.55Å; W130-W137 AromaticContact CZ3-CD1 3.72Å; W130-W137 HydrophobicContact CZ3-CD2 4.44Å; W130-W137 HydrophobicContact CZ3-CG 4.21Å; W130-W137 AromaticContact CZ3-NE1 3.62Å
138F74.4Confident64.7Low83 Ų83104.6 Ų104.636%0.36453%0.527SS..EExtended strand (participates in β ladder)trans-115.3132.4177-74.7-91.1000110.6Y128 E129 D131 K134 A136 K140Y128-F138 CarbonylContact C-O 3.47Å; Y128-F138 VanDerWaalsContact CA-O 3.26Å; Y128-F138 WeakPolarHBondContact CA-O 3.36Å; E129-F138 PolarHBondContact N-O 2.88Å; E129-F138 PolarHBondContact O-N 3.34Å; D131-F138 HydrophobicContact CB-CD2 3.44Å; D131-F138 VanDerWaalsContact CB-CD2 3.44Å; D131-F138 HydrophobicContact CB-CE2 3.6Å; K134-F138 HydrophobicContact CB-CE2 3.93Å; K134-F138 HydrophobicContact CB-CZ 4.26Å; K134-F138 HydrophobicContact CD-CE1 4.42Å; K134-F138 HydrophobicContact CD-CE2 3.79Å; K134-F138 HydrophobicContact CD-CZ 3.45Å; K134-F138 VanDerWaalsContact CD-CZ 3.45Å; K134-F138 HydrophobicContact CG-CE2 4.44Å; K134-F138 HydrophobicContact CG-CZ 4.5Å; A136-F138 HydrophobicContact CB-CE2 3.86Å; A136-F138 HydrophobicContact CB-CZ 4.4Å; A136-F138 WeakPolarHBondContact O-CD2 3.43Å; F138-K140 PolarHBondContact O-N 2.91Å; F138-K140 VanDerWaalsContact O-N 3.17Å
139P78.6Confident62.4Low74 Ų74107.6 Ų107.648%0.48154%0.542SS..EExtended strand (participates in β ladder)trans-61.9121176.624.3-32.1000111T126 V127 Y128 V141T126-P139 HydrophobicContact CG2-CB 3.81Å; V127-P139 CarbonylContact O-C 3.6Å; V127-P139 WeakPolarHBondContact O-CA 2.8Å; Y128-P139 HydrophobicContact CD1-CB 4.22Å; Y128-P139 HydrophobicContact CE1-CB 4.1Å; P139-V141 PolarHBondContact O-N 3.1Å
140K69.9Low60.3Low80 Ų80107.9 Ų107.935%0.34855%0.551SS.*  trans-76101.5178.5-174.1171.8-173.5164.40110.3L118 V127 E129 F138 S142L118-K140 HydrophobicContact CD2-CD 3.4Å; L118-K140 VanDerWaalsContact CD2-CD 3.4Å; V127-K140 HydrophobicContact CB-CB 4.11Å; V127-K140 HydrophobicContact CG1-CB 3.97Å; V127-K140 HydrophobicContact CG1-CD 4.03Å; V127-K140 WeakPolarHBondContact O-CA 3.35Å; V127-K140 WeakPolarHBondContact O-CB 2.99Å; V127-K140 PolarHBondContact O-N 3.07Å; E129-K140 HydrophobicContact CB-CB 4.18Å; E129-K140 IonicContact OE2-NZ 3.57Å; F138-K140 PolarHBondContact O-N 2.91Å; F138-K140 VanDerWaalsContact O-N 3.17Å; K140-S142 PolarHBondContact O-N 3.41Å
141V58.7Low58.2Low106 Ų106115.2 Ų115.264%0.64258%0.579SS**  trans-77.686171.9-156.20000108.8P139 C143P139-V141 PolarHBondContact O-N 3.1Å; V141-C143 PolarHBondContact O-N 2.98Å; V141-C143 VanDerWaalsContact O-N 3.08Å
142S44.1Very low56.3Low92 Ų92116.3 Ų116.364%0.64359%0.589SS**  trans-78.787.5174.362.80000110K140 P144K140-S142 PolarHBondContact O-N 3.41Å; S142-P144 WeakPolarHBondContact O-CD 3.5Å
143C39.3Very low54.5Low60 Ų60118.7 Ų118.741%0.40559%0.594SS.*  trans-84.3119.6162.3-49.90000108.4V141 N145 F146V141-C143 PolarHBondContact O-N 2.98Å; V141-C143 VanDerWaalsContact O-N 3.08Å; C143-N145 PolarHBondContact O-N 3.48Å; C143-F146 HydrophobicContact CB-CD2 3.45Å; C143-F146 VanDerWaalsContact CB-CD2 3.45Å; C143-F146 HydrophobicContact CB-CE2 3.64Å; C143-F146 PolarHBondContact O-N 3.48Å; C143-F146 VanDerWaalsContact SG-CE2 3.5Å
144P42.2Very low53Low124 Ų124116 Ų11681%0.80559%0.588SS**THydrogen-bonded Turntrans-63.35.2176.7-18.932.2000114.7S142S142-P144 WeakPolarHBondContact O-CD 3.5Å
145N39.2Very low51.3Low137 Ų137118.4 Ų118.473%0.73359%0.594SS**THydrogen-bonded Turntrans-122.811-174.4-67.4-26.9000114C143 S147C143-N145 PolarHBondContact O-N 3.48Å; N145-S147 PolarHBondContact O-N 3.13Å; N145-S147 VanDerWaalsContact O-N 3.17Å
146F44.4Very low49.2Very low118 Ų118115 Ų11552%0.51859%0.585SS.*G310 helixtrans-70.3-2.9176.7-96.8-70.9000114.8C143 H148 F149C143-F146 HydrophobicContact CB-CD2 3.45Å; C143-F146 VanDerWaalsContact CB-CD2 3.45Å; C143-F146 HydrophobicContact CB-CE2 3.64Å; C143-F146 PolarHBondContact O-N 3.48Å; C143-F146 VanDerWaalsContact SG-CE2 3.5Å; F146-H148 PolarHBondContact O-N 2.91Å; F146-H148 VanDerWaalsContact O-N 3.15Å; F146-F149 HydrophobicContact CD1-CB 4.32Å; F146-F149 HydrophobicContact CD1-CD2 4.05Å; F146-F149 HydrophobicContact CD1-CG 4.38Å; F146-F149 AromaticContact CE1-CD2 3.98Å; F146-F149 HydrophobicContact CE1-CD2 3.98Å; F146-F149 HydrophobicContact CE1-CE2 4.3Å; F146-F149 PolarHBondContact O-N 3.07Å
147S39.5Very low47.3Very low107 Ų107122 Ų12275%0.74860%0.604SS**G310 helixtrans-71.8-1.9179.367.50000114.7N145N145-S147 PolarHBondContact O-N 3.13Å; N145-S147 VanDerWaalsContact O-N 3.17Å
148H38.8Very low45.4Very low168 Ų168119.8 Ų119.878%0.77861%0.607SS**G310 helixtrans-110.819.5172.7-82.659.1000113.2F146 P150F146-H148 PolarHBondContact O-N 2.91Å; F146-H148 VanDerWaalsContact O-N 3.15Å; H148-P150 WeakPolarHBondContact O-CD 3.49Å
149F34.2Very low43.7Very low117 Ų117121.1 Ų121.151%0.51362%0.615SS.*  trans-80.6100.6170.8-142.1-95.7000109.6F146 R151 Y153F146-F149 HydrophobicContact CD1-CB 4.32Å; F146-F149 HydrophobicContact CD1-CD2 4.05Å; F146-F149 HydrophobicContact CD1-CG 4.38Å; F146-F149 AromaticContact CE1-CD2 3.98Å; F146-F149 HydrophobicContact CE1-CD2 3.98Å; F146-F149 HydrophobicContact CE1-CE2 4.3Å; F146-F149 PolarHBondContact O-N 3.07Å; F149-R151 PolarHBondContact O-N 3.36Å; F149-Y153 HydrophobicContact CE1-CD2 4.01Å; F149-Y153 HydrophobicContact CE1-CG 4.37Å
150P38.7Very low41.9Very low94 Ų94124.2 Ų124.261%0.6163%0.627SS**  trans-90.3103.6-16629.1-17000109.3H148 S152H148-P150 WeakPolarHBondContact O-CD 3.49Å; P150-S152 VanDerWaalsContact O-CB 3.29Å; P150-S152 WeakPolarHBondContact O-CB 3.48Å; P150-S152 PolarHBondContact O-N 2.95Å; P150-S152 PolarHBondContact O-OG 2.72Å
151R37.4Very low40.5Very low234 Ų234126.1 Ų126.188%0.88365%0.646SS**SBendtrans54.65.4145.9-118.3166.2166.8164.8-5.1118.1F149 T154F149-R151 PolarHBondContact O-N 3.36Å; R151-T154 PolarHBondContact O-OG1 3.16Å
152S39.3Very low39.6Very low62 Ų62124.2 Ų124.243%0.43464%0.637SS.*  trans-98-34.1-167.3550000111.5P150 R155 F156P150-S152 VanDerWaalsContact O-CB 3.29Å; P150-S152 WeakPolarHBondContact O-CB 3.48Å; P150-S152 PolarHBondContact O-N 2.95Å; P150-S152 PolarHBondContact O-OG 2.72Å; S152-R155 PolarHBondContact O-N 2.94Å; S152-F156 PolarHBondContact O-N 3.1Å
153Y39.7Very low39.4Very low185 Ų185125.5 Ų125.573%0.72565%0.646SS**Hα-helixtrans-68-34.6177.1-141.9-102.2000112.8F149 R155 F156 R157F149-Y153 HydrophobicContact CE1-CD2 4.01Å; F149-Y153 HydrophobicContact CE1-CG 4.37Å; Y153-R155 VanDerWaalsContact C-N 3.34Å; Y153-F156 PolarHBondContact O-N 3.16Å; Y153-R157 PolarHBondContact O-N 2.9Å
154T41.5Very low39.6Very low104 Ų104128.5 Ų128.564%0.63866%0.664SS**Hα-helixtrans-73.9-24.5175.845.80000112.9R151R151-T154 PolarHBondContact O-OG1 3.16Å
155R40.7Very low39.5Very low178 Ų178127.4 Ų127.467%0.67266%0.66SS**Hα-helixtrans-77-29.5174.4-153.3176.6-161.4170.84.1112.5S152 Y153 S158 M159S152-R155 PolarHBondContact O-N 2.94Å; Y153-R155 VanDerWaalsContact C-N 3.34Å; R155-S158 PolarHBondContact O-N 3.21Å; R155-M159 HydrophobicContact CG-CE 4.31Å; R155-M159 PolarHBondContact O-N 3.02Å
156F35.6Very low39.3Very low134 Ų134127.8 Ų127.859%0.58867%0.667SS**Hα-helixtrans-72.5-37179.5-137.6-92.6000112.5S152 Y153 S158 M159 L160S152-F156 PolarHBondContact O-N 3.1Å; Y153-F156 PolarHBondContact O-N 3.16Å; F156-S158 VanDerWaalsContact C-N 3.26Å; F156-S158 PolarHBondContact O-N 2.81Å; F156-M159 PolarHBondContact O-N 2.81Å; F156-M159 VanDerWaalsContact O-N 3.16Å; F156-L160 HydrophobicContact CD1-CD1 4.23Å; F156-L160 PolarHBondContact O-N 2.98Å
157R36.8Very low39.3Very low186 Ų186127.6 Ų127.670%0.70268%0.68SS**Hα-helixtrans-67.3-26.6175.4-154.3176.2-174.1-175.61.4112.8Y153 T161Y153-R157 PolarHBondContact O-N 2.9Å; R157-T161 PolarHBondContact O-OG1 3.09Å
158S40.8Very low39.3Very low73 Ų73126.1 Ų126.151%0.5168%0.675SS.*Hα-helixtrans-79.8-22.1172.9150.10000113.7R155 F156 T161R155-S158 PolarHBondContact O-N 3.21Å; F156-S158 VanDerWaalsContact C-N 3.26Å; F156-S158 PolarHBondContact O-N 2.81Å; S158-T161 PolarHBondContact O-OG1 3.19Å
159M38.7Very low39.2Very low111 Ų111125.6 Ų125.655%0.54768%0.677SS.*Hα-helixtrans-84.9-27.4177.9-76.1-174.9-171.500112.7R155 F156 T161 S162R155-M159 HydrophobicContact CG-CE 4.31Å; R155-M159 PolarHBondContact O-N 3.02Å; F156-M159 PolarHBondContact O-N 2.81Å; F156-M159 VanDerWaalsContact O-N 3.16Å; M159-T161 VanDerWaalsContact C-N 3.29Å; M159-T161 PolarHBondContact O-N 3.24Å; M159-S162 PolarHBondContact O-OG 2.69Å
160L41.4Very low39.5Very low139 Ų139126.5 Ų126.573%0.72869%0.692SS**THydrogen-bonded Turntrans-76.2-15.4177.8-69.8168.4000113.4F156F156-L160 HydrophobicContact CD1-CD1 4.23Å; F156-L160 PolarHBondContact O-N 2.98Å
161T39.9Very low39.5Very low120 Ų120126 Ų12674%0.73670%0.696SS**THydrogen-bonded Turntrans-100.3-2178.653.90000113.5R157 S158 M159R157-T161 PolarHBondContact O-OG1 3.09Å; S158-T161 PolarHBondContact O-OG1 3.19Å; M159-T161 VanDerWaalsContact C-N 3.29Å; M159-T161 PolarHBondContact O-N 3.24Å
162S38.8Very low39.8Very low65 Ų65121.2 Ų121.246%0.45569%0.687SS.*SBendtrans-110.2121.7173.457.40000109.8M159 P164M159-S162 PolarHBondContact O-OG 2.69Å; S162-P164 WeakPolarHBondContact O-CD 3.5Å
163S40.2Very low39.7Very low119 Ų119123.3 Ų123.383%0.83270%0.699SS**PPolyproline II helixtrans-47.6119.3177.142.10000112.3
164P44.4Very low39.7Very low123 Ų123120.7 Ų120.780%0.79970%0.696SS**PPolyproline II helixtrans-89.4118.5179.330.9-27.5000110.4S162S162-P164 WeakPolarHBondContact O-CD 3.5Å
165S38.8Very low39.4Very low101 Ų101123.7 Ų123.771%0.70671%0.708SS**PPolyproline II helixtrans-57.8140161.550.50000110.9S167S165-S167 PolarHBondContact O-N 3.07Å; S165-S167 VanDerWaalsContact O-N 3.11Å
166T36Very low39.3Very low146 Ų146122.1 Ų122.190%0.89671%0.711SS**SBendtrans-45.4102.4174.622.70000113.2
167S43.2Very low39.5Very low113 Ų113122.6 Ų122.679%0.7972%0.72SS**SBendtrans173.95.7155.742.30000116.2S165S165-S167 PolarHBondContact O-N 3.07Å; S165-S167 VanDerWaalsContact O-N 3.11Å
168A39.8Very low39.3Very low76 Ų76123 Ų12363%0.62873%0.727SS**  trans-12024.6-169.300000116.7T170A168-T170 PolarHBondContact O-N 3.2Å
169L37.4Very low39.1Very low158 Ų158126.5 Ų126.583%0.82774%0.739SS**THydrogen-bonded Turntrans-89.39.3-175-69.9177.8000115.8
170T40.2Very low38.9Very low135 Ų135124 Ų12483%0.82874%0.741SS**THydrogen-bonded Turntrans-104.18.7-174.249.90000115.6A168A168-T170 PolarHBondContact O-N 3.2Å
171A39Very low39.1Very low85 Ų85124.7 Ų124.770%0.70273%0.734SS**  trans-117.415.2-17300000116
172I43.2Very low39.3Very low132 Ų132127.9 Ų127.968%0.67774%0.738SS**  trans-90.3-7.5-167.4-64178.4000117.6
173P37Very low39.8Very low106 Ų106133.3 Ų133.369%0.68876%0.756SS**SBendtrans-109.659-178.441.4-32.1000113.8
174I41.4Very low40.6Very low130 Ų130133.9 Ų133.967%0.66775%0.748SS**SBendtrans-137.9-28.1171.1-57.3179.7000113.3L176I174-L176 PolarHBondContact O-N 3.38Å
175L34.6Very low41.6Very low168 Ų168133.3 Ų133.388%0.8874%0.738SS**G310 helixtrans-84.3-12-171.7-141.688.4000115.5L177L175-L177 VanDerWaalsContact C-N 3.33Å
176L39.2Very low43Very low144 Ų144134.3 Ų134.375%0.75473%0.731SS**G310 helixtrans-83.7-5.9177.2-101.3150.2000113.6I174 L179I174-L176 PolarHBondContact O-N 3.38Å; L176-L179 HydrophobicContact CD2-CD1 4.12Å
177L38.8Very low44.7Very low145 Ų145133.7 Ų133.776%0.75972%0.718SS**G310 helixtrans-86.6-1.7-175.1-74.4165.8000114.4L175L175-L177 VanDerWaalsContact C-N 3.33Å
178F32.7Very low46.4Very low195 Ų195133 Ų13386%0.85570%0.702SS**G310 helixtrans-103.918.3177.9-86.9-83.2000114.1G180F178-G180 PolarHBondContact O-N 2.8Å
179L35.7Very low48.6Very low146 Ų146130.1 Ų130.176%0.76468%0.676SS**  trans-75.580.2161.9-75.5164.2000107.9L176L176-L179 HydrophobicContact CD2-CD1 4.12Å
180G35.2Very low51.1Low57 Ų57124.9 Ų124.959%0.58865%0.651SS**  trans-50.7137.7176.300000111.1F178 F182F178-G180 PolarHBondContact O-N 2.8Å; G180-F182 PolarHBondContact O-N 2.92Å
181W44.6Very low53.6Low154 Ų154119 Ų11958%0.58362%0.615SS**  trans-45.3120.2176.7-64.671.9000110.2E183 L277 Y281W181-E183 PolarHBondContact O-N 3.29Å; W181-E183 VanDerWaalsContact O-N 3.1Å; W181-L277 HydrophobicContact CB-CD1 4.09Å; W181-L277 HydrophobicContact CD2-CD1 3.76Å; W181-L277 HydrophobicContact CE3-CD1 3.97Å; W181-L277 HydrophobicContact CG-CD1 3.79Å; W181-Y281 HydrophobicContact CH2-CD2 4.15Å; W181-Y281 AromaticContact CH2-CE2 3.95Å; W181-Y281 HydrophobicContact CH2-CE2 3.95Å; W181-Y281 AromaticContact CZ2-CD2 3.51Å; W181-Y281 HydrophobicContact CZ2-CD2 3.51Å; W181-Y281 AromaticContact CZ2-CE2 3.44Å; W181-Y281 HydrophobicContact CZ2-CE2 3.44Å; W181-Y281 VanDerWaalsContact CZ2-CE2 3.44Å; W181-Y281 HydrophobicContact CZ2-CG 4.22Å
182F44.2Very low56.2Low187 Ų187115 Ų11582%0.8258%0.582SS**  trans-54.4116.9165.7-99.7-102.3000107.7G180 M184G180-F182 PolarHBondContact O-N 2.92Å; F182-M184 VanDerWaalsContact C-N 3.31Å; F182-M184 PolarHBondContact O-N 3.19Å
183E50.9Low58.7Low179 Ų179111.8 Ų111.884%0.83656%0.562SS**  trans-59.5106151.7-76.1179.3164.100104.7W181 D185W181-E183 PolarHBondContact O-N 3.29Å; W181-E183 VanDerWaalsContact O-N 3.1Å; E183-D185 PolarHBondContact O-N 3.05Å; E183-D185 VanDerWaalsContact O-N 3.16Å
184M56.5Low61.4Low132 Ų132106.7 Ų106.765%0.6553%0.529SS*.  trans-60.5120.8168-71.9-177.664.300106F182 E186F182-M184 VanDerWaalsContact C-N 3.31Å; F182-M184 PolarHBondContact O-N 3.19Å; M184-E186 PolarHBondContact O-N 3.39Å
185D64.5Low63.9Low110 Ų110101.7 Ų101.759%0.58851%0.506SS*.  trans-47.7131.9176.7-64.5-51.9000108.6E183 E187 H188E183-D185 PolarHBondContact O-N 3.05Å; E183-D185 VanDerWaalsContact O-N 3.16Å; D185-E187 PolarHBondContact O-N 3.35Å; D185-H188 PolarHBondContact O-N 2.99Å
186E69.7Low66.6Low123 Ų12395.4 Ų95.458%0.57548%0.481SS*.G310 helixtrans-52.7-25.5-178.4-65.8-175.8162.700110.9M184 H188 I189 Q272M184-E186 PolarHBondContact O-N 3.39Å; E186-H188 VanDerWaalsContact C-N 3.3Å; E186-H188 PolarHBondContact O-N 3.49Å; E186-I189 HydrophobicContact CB-CD1 4.48Å; E186-I189 PolarHBondContact O-N 3.26Å; E186-Q272 PolarHBondContact O-NE2 2.97Å
187E72Confident69.1Low133 Ų13388.9 Ų88.962%0.62145%0.447SS*.G310 helixtrans-65.8-18.3174.5-60.6-171.5-169.500115.3D185 K248D185-E187 PolarHBondContact O-N 3.35Å; E187-K248 WeakPolarHBondContact O-CD 3.42Å; E187-K248 WeakPolarHBondContact O-CE 3.28Å; E187-K248 PolarHBondContact O-NZ 3.28Å
188H78.6Confident71.6Confident97 Ų9782 Ų8245%0.44941%0.411SS..G310 helixtrans-107.73.9-179.8-66.4-60.8000113.8D185 E186 T190D185-H188 PolarHBondContact O-N 2.99Å; E186-H188 VanDerWaalsContact C-N 3.3Å; E186-H188 PolarHBondContact O-N 3.49Å; H188-T190 PolarHBondContact O-N 3.31Å
189I85.3Confident74.2Confident17 Ų1778.8 Ų78.89%0.08740%0.402CS..  trans-73.2113.7-178.9-57.2174000110.3E186 Q272 F275E186-I189 HydrophobicContact CB-CD1 4.48Å; E186-I189 PolarHBondContact O-N 3.26Å; I189-Q272 HydrophobicContact CB-CG 4.43Å; I189-Q272 HydrophobicContact CG2-CG 4.4Å; I189-Q272 PolarHBondContact O-NE2 3.17Å; I189-F275 HydrophobicContact CG2-CD2 4.3Å; I189-F275 HydrophobicContact CG2-CE2 3.9Å
190T90.1Very high76.7Confident47 Ų4776.2 Ų76.229%0.28839%0.389SS..  trans-927.9178.156.80000114.1H188 Y245 V251H188-T190 PolarHBondContact O-N 3.31Å; T190-Y245 WeakPolarHBondContact CB-O 3.39Å; T190-Y245 PolarHBondContact O-N 3.35Å; T190-V251 VanDerWaalsContact C-CG2 3.47Å; T190-V251 WeakPolarHBondContact O-CG2 3.36Å
191S91.9Very high79.2Confident13 Ų1373.8 Ų73.89%0.09136%0.363CS..EExtended strand (participates in β ladder)trans-107.7144.5-178-62.20000112C243 T244 A273S191-C243 CarbonylContact C-O 3.54Å; S191-C243 WeakPolarHBondContact CA-O 3.47Å; S191-T244 WeakPolarHBondContact OG-CG2 3.45Å; S191-T244 PolarHBondContact OG-OG1 2.61Å; S191-A273 VanDerWaalsContact O-CB 3.22Å; S191-A273 WeakPolarHBondContact O-CB 3.41Å; S191-A273 PolarHBondContact O-N 2.99Å
192V94Very high81.4Confident0 Ų069.4 Ų69.40%035%0.353CS..EExtended strand (participates in β ladder)trans-123.5132.1-176.1-176.80000109.5V194 L242 C243 Y245 V251 V270 Q271V192-V194 HydrophobicContact CG1-CG2 4.32Å; V192-L242 WeakPolarHBondContact O-CA 3.41Å; V192-C243 PolarHBondContact N-O 3.06Å; V192-C243 PolarHBondContact O-N 3.11Å; V192-Y245 HydrophobicContact CB-CE2 4.24Å; V192-Y245 HydrophobicContact CG2-CD2 3.75Å; V192-Y245 HydrophobicContact CG2-CE2 3.61Å; V192-V251 HydrophobicContact CG2-CB 3.89Å; V192-V251 HydrophobicContact CG2-CG1 3.55Å; V192-V251 HydrophobicContact CG2-CG2 3.73Å; V192-V270 HydrophobicContact CG1-CG1 3.2Å; V192-Q271 WeakPolarHBondContact CG1-O 3.49Å
193Y94.9Very high83.6Confident64 Ų6464.6 Ų64.625%0.25134%0.335SS..EExtended strand (participates in β ladder)trans-96.7129.9173.8-171.3-102.1000109.9Y230 D240 Q271Y193-Y230 HydrophobicContact CD2-CE2 4.21Å; Y193-Y230 HydrophobicContact CE2-CD2 4.07Å; Y193-Y230 AromaticContact CE2-CE2 3.68Å; Y193-Y230 HydrophobicContact CE2-CE2 3.68Å; Y193-D240 HydrophobicContact CE2-CB 4.27Å; Y193-D240 VanDerWaalsContact OH-CB 3.26Å; Y193-D240 WeakPolarHBondContact OH-CB 3.29Å; Y193-D240 PolarHBondContact OH-OD2 2.93Å; Y193-Q271 PolarHBondContact N-O 2.94Å; Y193-Q271 PolarHBondContact O-N 2.84Å
194V94.2Very high85.5Confident0 Ų060.1 Ų60.10%032%0.32CS..EExtended strand (participates in β ladder)trans-120.9125.7-176.3-174.60000107.8V192 L197 F206 M210 D240 G241 I268 K269 V270V192-V194 HydrophobicContact CG1-CG2 4.32Å; V194-L197 HydrophobicContact CG1-CD1 4.35Å; V194-L197 HydrophobicContact CG1-CD2 4.03Å; V194-L197 HydrophobicContact CG1-CG 4.13Å; V194-F206 HydrophobicContact CB-CE2 4.05Å; V194-F206 HydrophobicContact CB-CZ 4.24Å; V194-F206 HydrophobicContact CG1-CE2 4.11Å; V194-F206 HydrophobicContact CG2-CE2 4.14Å; V194-F206 HydrophobicContact CG2-CZ 4.06Å; V194-M210 HydrophobicContact CB-CE 4.2Å; V194-M210 HydrophobicContact CG1-CE 3.86Å; V194-M210 HydrophobicContact CG2-CE 3.39Å; V194-M210 HydrophobicContact CG2-SD 3.94Å; V194-D240 CarbonylContact O-C 3.5Å; V194-D240 VanDerWaalsContact O-CA 3.29Å; V194-D240 WeakPolarHBondContact O-CA 3.49Å; V194-G241 PolarHBondContact N-O 3.18Å; V194-G241 PolarHBondContact O-N 2.95Å; V194-I268 HydrophobicContact CG1-CB 4.17Å; V194-I268 HydrophobicContact CG1-CD1 4.14Å; V194-K269 WeakPolarHBondContact CA-O 3.48Å; V194-V270 HydrophobicContact CG1-CG2 4.27Å; V194-V270 HydrophobicContact CG2-CG2 4.39Å
195S93.9Very high87.2Confident25 Ų2555.9 Ų55.918%0.17530%0.299CS..EExtended strand (participates in β ladder)trans-123.3156.5179.956.60000111D240 I268 K269S195-D240 WeakPolarHBondContact CA-OD1 3.27Å; S195-D240 VanDerWaalsContact CB-OD1 3.29Å; S195-D240 WeakPolarHBondContact CB-OD1 3.19Å; S195-I268 WeakPolarHBondContact O-CA 3.32Å; S195-K269 PolarHBondContact N-O 3.39Å; S195-K269 PolarHBondContact O-N 3.08Å; S195-K269 PolarHBondContact OG-O 2.84Å
196G91.4Very high88.5Confident35 Ų3550.7 Ų50.736%0.36127%0.271SS..  trans82.324-179.400000114.4G239G196-G239 PolarHBondContact N-O 3.49Å; G196-G239 VanDerWaalsContact N-O 3.12Å
197L92.1Very high89.6Confident7 Ų748.5 Ų48.54%0.03726%0.261CS..  trans-71.6147172.8-62.8164.8000111V194 V201 F206 L229 G239 I263 I268V194-L197 HydrophobicContact CG1-CD1 4.35Å; V194-L197 HydrophobicContact CG1-CD2 4.03Å; V194-L197 HydrophobicContact CG1-CG 4.13Å; L197-V201 HydrophobicContact CB-CG1 4.05Å; L197-V201 HydrophobicContact CD1-CG1 4.49Å; L197-F206 HydrophobicContact CD1-CD2 3.84Å; L197-F206 HydrophobicContact CD1-CE2 3.62Å; L197-F206 HydrophobicContact CD1-CZ 4.45Å; L197-F206 HydrophobicContact CD2-CD2 3.85Å; L197-F206 HydrophobicContact CD2-CE2 3.98Å; L197-F206 HydrophobicContact CG-CE2 4.42Å; L197-L229 HydrophobicContact CD1-CD2 3.78Å; L197-G239 WeakPolarHBondContact CB-O 3.34Å; L197-G239 PolarHBondContact N-O 2.98Å; L197-G239 WeakPolarHBondContact O-CA 3.44Å; L197-I263 HydrophobicContact CD2-CD1 3.93Å; L197-I268 HydrophobicContact CD2-CG2 3.81Å
198P90.6Very high90.6Very high1 Ų148.2 Ų48.21%0.00626%0.259CS..  trans-56.6146.1170.9-23.232.8000112.7D200 V201 I263 R264 H266P198-D200 WeakPolarHBondContact CB-OD1 3.24Å; P198-D200 PolarHBondContact O-N 3.03Å; P198-V201 WeakPolarHBondContact O-CB 3.32Å; P198-V201 VanDerWaalsContact O-CG1 3.29Å; P198-V201 WeakPolarHBondContact O-CG1 3.34Å; P198-V201 PolarHBondContact O-N 2.75Å; P198-V201 VanDerWaalsContact O-N 3.13Å; P198-I263 HydrophobicContact CG-CB 4.43Å; P198-I263 HydrophobicContact CG-CG2 3.99Å; P198-R264 HydrophobicContact CG-CB 4.35Å; P198-H266 HydrophobicContact CG-CB 4.18Å
199L87.9Confident91.2Very high127 Ų12744.1 Ų44.167%0.66524%0.241SC*.THydrogen-bonded Turntrans-67.3-14-179.2-63.7171.2000113.6L237L199-L237 WeakPolarHBondContact CD2-O 3.32Å; L199-L237 WeakPolarHBondContact O-CD1 3.27Å
200D89.1Confident91.5Very high92 Ų9243.3 Ų43.349%0.49224%0.237SC..THydrogen-bonded Turntrans-106.612.8178.464.4-37.4000112.7P198 T202 R264P198-D200 WeakPolarHBondContact CB-OD1 3.24Å; P198-D200 PolarHBondContact O-N 3.03Å; D200-T202 PolarHBondContact O-N 3.48Å; D200-R264 IonicContact OD2-CZ 3.84Å; D200-R264 IonicContact OD2-NH1 3.64Å; D200-R264 PolarHBondContact OD2-NH1 3.4Å
201V87.7Confident91.6Very high7 Ų743.8 Ų43.84%0.04224%0.242CC..  trans-63.1127-176.871.20000111.4L197 P198 E205 F206 L229 L237L197-V201 HydrophobicContact CB-CG1 4.05Å; L197-V201 HydrophobicContact CD1-CG1 4.49Å; P198-V201 WeakPolarHBondContact O-CB 3.32Å; P198-V201 VanDerWaalsContact O-CG1 3.29Å; P198-V201 WeakPolarHBondContact O-CG1 3.34Å; P198-V201 PolarHBondContact O-N 2.75Å; P198-V201 VanDerWaalsContact O-N 3.13Å; V201-E205 HydrophobicContact CG2-CB 4.42Å; V201-F206 HydrophobicContact CG2-CB 4.36Å; V201-L229 HydrophobicContact CG1-CD1 4.12Å; V201-L229 HydrophobicContact CG1-CD2 4.24Å; V201-L237 HydrophobicContact CG1-CD1 3.98Å; V201-L237 WeakPolarHBondContact O-CD1 3.45Å
202T90.5Very high91.5Very high62 Ų6249.3 Ų49.338%0.3827%0.265SS..  trans-86.1153.3174650000110.6D200 V204 E205 F206D200-T202 PolarHBondContact O-N 3.48Å; T202-V204 PolarHBondContact O-N 2.78Å; T202-E205 PolarHBondContact O-N 3.22Å; T202-E205 WeakPolarHBondContact OG1-CG 3.29Å; T202-E205 PolarHBondContact OG1-N 3.04Å; T202-E205 PolarHBondContact OG1-OE1 3.29Å; T202-E205 VanDerWaalsContact OG1-OE1 3.1Å; T202-F206 PolarHBondContact O-N 2.89Å
203L89.6Confident91.3Very high85 Ų8549.7 Ų49.745%0.44527%0.267SS..Hα-helixtrans-58-32.3174.2-76.3169.6000112.1E207 L229L203-E207 WeakPolarHBondContact O-CB 3.37Å; L203-E207 PolarHBondContact O-N 2.62Å; L203-L229 HydrophobicContact CD2-CD1 3.61Å; L203-L229 HydrophobicContact CD2-CG 3.83Å; L203-L229 HydrophobicContact CG-CD1 4.04Å
204V91.3Very high91Very high85 Ų8547.5 Ų47.552%0.51527%0.265SS..Hα-helixtrans-68.5-47.1179.4-178.40000110.8T202 F206 E207 E208T202-V204 PolarHBondContact O-N 2.78Å; V204-F206 VanDerWaalsContact C-N 3.3Å; V204-F206 PolarHBondContact O-N 3.13Å; V204-E207 WeakPolarHBondContact O-CB 3.31Å; V204-E207 PolarHBondContact O-N 3.26Å; V204-E208 WeakPolarHBondContact O-CG 3.27Å; V204-E208 PolarHBondContact O-N 2.78Å
205E91.6Very high90.9Very high44 Ų4453.7 Ų53.721%0.20630%0.297CS..Hα-helixtrans-63.3-39.5176-74.9170.9-123.700111.9V201 T202 E207 E208 V209 R264V201-E205 HydrophobicContact CG2-CB 4.42Å; T202-E205 PolarHBondContact O-N 3.22Å; T202-E205 WeakPolarHBondContact OG1-CG 3.29Å; T202-E205 PolarHBondContact OG1-N 3.04Å; T202-E205 PolarHBondContact OG1-OE1 3.29Å; T202-E205 VanDerWaalsContact OG1-OE1 3.1Å; E205-E207 VanDerWaalsContact C-N 3.34Å; E205-E208 PolarHBondContact O-N 3.14Å; E205-V209 WeakPolarHBondContact O-CG2 2.74Å; E205-V209 PolarHBondContact O-N 3.39Å; E205-V209 VanDerWaalsContact O-N 3.14Å; E205-R264 IonicContact OE1-CZ 2.73Å; E205-R264 IonicContact OE1-NH1 2.66Å; E205-R264 IonicContact OE1-NH2 3.44Å; E205-R264 PolarHBondContact OE1-NH2 2.9Å; E205-R264 IonicContact OE2-CZ 3.94Å; E205-R264 IonicContact OE2-NE 3.92Å; E205-R264 PolarHBondContact OE2-NE 2.84Å; E205-R264 IonicContact OE2-NH1 2.85Å; E205-R264 IonicContact OE2-NH2 3.03Å; E205-R264 PolarHBondContact OE2-NH2 2.79Å
206F92.7Very high90.9Very high0 Ų053 Ų530%029%0.291CS..Hα-helixtrans-63.9-41.2175.6-171.5-114.7000111.7V194 L197 V201 T202 V204 V209 M210 L227 L229 C243V194-F206 HydrophobicContact CB-CE2 4.05Å; V194-F206 HydrophobicContact CB-CZ 4.24Å; V194-F206 HydrophobicContact CG1-CE2 4.11Å; V194-F206 HydrophobicContact CG2-CE2 4.14Å; V194-F206 HydrophobicContact CG2-CZ 4.06Å; L197-F206 HydrophobicContact CD1-CD2 3.84Å; L197-F206 HydrophobicContact CD1-CE2 3.62Å; L197-F206 HydrophobicContact CD1-CZ 4.45Å; L197-F206 HydrophobicContact CD2-CD2 3.85Å; L197-F206 HydrophobicContact CD2-CE2 3.98Å; L197-F206 HydrophobicContact CG-CE2 4.42Å; V201-F206 HydrophobicContact CG2-CB 4.36Å; T202-F206 PolarHBondContact O-N 2.89Å; V204-F206 VanDerWaalsContact C-N 3.3Å; V204-F206 PolarHBondContact O-N 3.13Å; F206-V209 PolarHBondContact O-N 3.11Å; F206-M210 HydrophobicContact CD1-CG 4.46Å; F206-M210 HydrophobicContact CD2-CE 4.4Å; F206-M210 HydrophobicContact CD2-CG 4.33Å; F206-M210 HydrophobicContact CE1-CG 4.18Å; F206-M210 HydrophobicContact CE2-CE 3.73Å; F206-M210 HydrophobicContact CE2-CG 4.03Å; F206-M210 HydrophobicContact CE2-SD 4.46Å; F206-M210 HydrophobicContact CZ-CE 4.21Å; F206-M210 HydrophobicContact CZ-CG 3.95Å; F206-M210 HydrophobicContact CZ-SD 4.41Å; F206-M210 WeakPolarHBondContact O-CB 3.28Å; F206-M210 VanDerWaalsContact O-CG 3.24Å; F206-M210 WeakPolarHBondContact O-CG 3.23Å; F206-M210 PolarHBondContact O-N 3.23Å; F206-L227 HydrophobicContact CD1-CB 4.3Å; F206-L227 HydrophobicContact CD1-CD1 4.33Å; F206-L227 HydrophobicContact CD1-CD2 3.96Å; F206-L227 HydrophobicContact CD1-CG 4.43Å; F206-L227 HydrophobicContact CE1-CB 4.38Å; F206-L227 HydrophobicContact CE1-CD2 3.73Å; F206-L229 HydrophobicContact CD1-CD2 4.05Å; F206-L229 HydrophobicContact CD2-CD2 4.24Å; F206-L229 HydrophobicContact CE1-CD2 4.3Å; F206-L229 HydrophobicContact CE2-CD2 4.48Å; F206-L229 HydrophobicContact CG-CD2 4.01Å; F206-C243 HydrophobicContact CE1-CB 4.34Å; F206-C243 HydrophobicContact CZ-CB 4.36Å
207E92.6Very high90.9Very high78 Ų7851.9 Ų51.936%0.36428%0.279SS..Hα-helixtrans-61-45.8174179-178.4168.400111.9L203 V204 E205 V209 M210 S211 I216 L225 L227L203-E207 WeakPolarHBondContact O-CB 3.37Å; L203-E207 PolarHBondContact O-N 2.62Å; V204-E207 WeakPolarHBondContact O-CB 3.31Å; V204-E207 PolarHBondContact O-N 3.26Å; E205-E207 VanDerWaalsContact C-N 3.34Å; E207-V209 VanDerWaalsContact C-N 3.35Å; E207-V209 PolarHBondContact O-N 2.78Å; E207-M210 PolarHBondContact O-N 2.83Å; E207-S211 WeakPolarHBondContact O-CB 3.1Å; E207-S211 PolarHBondContact O-N 2.82Å; E207-S211 PolarHBondContact O-OG 3.03Å; E207-I216 HydrophobicContact CG-CD1 4.29Å; E207-L225 HydrophobicContact CG-CD1 3.66Å; E207-L225 WeakPolarHBondContact OE1-CD1 3.47Å; E207-L225 WeakPolarHBondContact OE2-CD1 3.47Å; E207-L227 HydrophobicContact CB-CD1 3.76Å; E207-L227 HydrophobicContact CG-CD1 4.22Å
208E91.7Very high90.8Very high126 Ų12660 Ų6059%0.58931%0.309SS*.Hα-helixtrans-61.6-40.3180-75.5178.5-172.900112.6V204 E205V204-E208 WeakPolarHBondContact O-CG 3.27Å; V204-E208 PolarHBondContact O-N 2.78Å; E205-E208 PolarHBondContact O-N 3.14Å
209V91.7Very high90.6Very high12 Ų1263 Ų637%0.07333%0.325CS..Hα-helixtrans-70-47177.7176.10000110.8E205 F206 E207 S211 K212 L258 Y261 I263 I268E205-V209 WeakPolarHBondContact O-CG2 2.74Å; E205-V209 PolarHBondContact O-N 3.39Å; E205-V209 VanDerWaalsContact O-N 3.14Å; F206-V209 PolarHBondContact O-N 3.11Å; E207-V209 VanDerWaalsContact C-N 3.35Å; E207-V209 PolarHBondContact O-N 2.78Å; V209-S211 VanDerWaalsContact C-N 3.33Å; V209-S211 PolarHBondContact O-N 3.13Å; V209-K212 WeakPolarHBondContact O-CB 3.32Å; V209-K212 PolarHBondContact O-N 2.86Å; V209-L258 HydrophobicContact CG1-CD2 3.97Å; V209-Y261 HydrophobicContact CG1-CD1 3.82Å; V209-Y261 HydrophobicContact CG1-CE1 3.92Å; V209-Y261 HydrophobicContact CG2-CE1 3.93Å; V209-I263 HydrophobicContact CB-CD1 4.36Å; V209-I263 HydrophobicContact CG1-CD1 4.15Å; V209-I263 HydrophobicContact CG2-CD1 3.86Å; V209-I263 HydrophobicContact CG2-CG1 4.26Å; V209-I268 HydrophobicContact CG1-CD1 4.32Å
210M92.2Very high90.4Very high0 Ų065.1 Ų65.10%034%0.336CS..Hα-helixtrans-70.4-29.8-176.2-68.1-64.6140.500112.7V194 F206 E207 K212 C213 I216 C243 Y245 L258 I268V194-M210 HydrophobicContact CB-CE 4.2Å; V194-M210 HydrophobicContact CG1-CE 3.86Å; V194-M210 HydrophobicContact CG2-CE 3.39Å; V194-M210 HydrophobicContact CG2-SD 3.94Å; F206-M210 HydrophobicContact CD1-CG 4.46Å; F206-M210 HydrophobicContact CD2-CE 4.4Å; F206-M210 HydrophobicContact CD2-CG 4.33Å; F206-M210 HydrophobicContact CE1-CG 4.18Å; F206-M210 HydrophobicContact CE2-CE 3.73Å; F206-M210 HydrophobicContact CE2-CG 4.03Å; F206-M210 HydrophobicContact CE2-SD 4.46Å; F206-M210 HydrophobicContact CZ-CE 4.21Å; F206-M210 HydrophobicContact CZ-CG 3.95Å; F206-M210 HydrophobicContact CZ-SD 4.41Å; F206-M210 WeakPolarHBondContact O-CB 3.28Å; F206-M210 VanDerWaalsContact O-CG 3.24Å; F206-M210 WeakPolarHBondContact O-CG 3.23Å; F206-M210 PolarHBondContact O-N 3.23Å; E207-M210 PolarHBondContact O-N 2.83Å; M210-K212 PolarHBondContact O-N 2.56Å; M210-C213 PolarHBondContact O-N 3.18Å; M210-I216 HydrophobicContact CB-CD1 3.95Å; M210-I216 HydrophobicContact CB-CG1 4.48Å; M210-C243 HydrophobicContact CG-CB 4.22Å; M210-C243 HydrophobicContact SD-CB 4.16Å; M210-Y245 WeakPolarHBondContact O-CE1 3.26Å; M210-Y245 PolarHBondContact O-OH 3.36Å; M210-L258 HydrophobicContact CE-CD1 4.18Å; M210-L258 HydrophobicContact SD-CD1 4.05Å; M210-I268 HydrophobicContact CE-CD1 4.2Å
211S92.5Very high90.1Very high57 Ų5766.6 Ų66.640%0.39934%0.343SS..THydrogen-bonded Turntrans-68-14177.9-62.80000113.8E207 V209 C213 I216E207-S211 WeakPolarHBondContact O-CB 3.1Å; E207-S211 PolarHBondContact O-N 2.82Å; E207-S211 PolarHBondContact O-OG 3.03Å; V209-S211 VanDerWaalsContact C-N 3.33Å; V209-S211 PolarHBondContact O-N 3.13Å; S211-C213 VanDerWaalsContact C-N 3.3Å; S211-C213 PolarHBondContact O-N 3.36Å; S211-I216 WeakPolarHBondContact OG-CD1 3.38Å
212K90Very high89.9Confident128 Ų12872.3 Ų72.356%0.55737%0.373SS*.THydrogen-bonded Turntrans-68.6-28.9177.4-65.3176.6-173.9-179.60113.2V209 M210 Y261V209-K212 WeakPolarHBondContact O-CB 3.32Å; V209-K212 PolarHBondContact O-N 2.86Å; M210-K212 PolarHBondContact O-N 2.56Å; K212-Y261 PolarHBondContact NZ-OH 3.23Å
213C88.9Confident89.4Confident8 Ų877.6 Ų77.65%0.05439%0.391CS..SBendtrans-102.9-8.8-172.2-67.70000113.6M210 S211 L253 A254 L258M210-C213 PolarHBondContact O-N 3.18Å; S211-C213 VanDerWaalsContact C-N 3.3Å; S211-C213 PolarHBondContact O-N 3.36Å; C213-L253 HydrophobicContact CB-CD2 3.41Å; C213-L253 VanDerWaalsContact CB-CD2 3.41Å; C213-L253 VanDerWaalsContact SG-CD2 3.53Å; C213-A254 HydrophobicContact CB-CB 3.94Å; C213-L258 HydrophobicContact CB-CD1 4.12Å; C213-L258 VanDerWaalsContact SG-CD1 3.52Å; C213-L258 WeakPolarHBondContact SG-CG 3.45Å
214G89.9Confident89.2Confident19 Ų1980 Ų8020%0.19640%0.398CS..SBendtrans170.5178.5178.400000114
215L91.8Very high89.1Confident130 Ų13077.5 Ų77.568%0.68138%0.381SS*.PPolyproline II helixtrans-83.6119.3174.2-63.3174.3000109.4I246L215-I246 HydrophobicContact CB-CD1 3.71Å; L215-I246 HydrophobicContact CB-CG1 4.33Å; L215-I246 WeakPolarHBondContact O-CG1 3.17Å; L215-I246 PolarHBondContact O-N 3.28Å
216I92.9Very high89Confident10 Ų1079.8 Ų79.85%0.05139%0.391CS..BIsolated β-bridgetrans-74.2133.2176.7-59.4159.1000108.7E207 M210 S211 R218 L225 L227 Y245E207-I216 HydrophobicContact CG-CD1 4.29Å; M210-I216 HydrophobicContact CB-CD1 3.95Å; M210-I216 HydrophobicContact CB-CG1 4.48Å; S211-I216 WeakPolarHBondContact OG-CD1 3.38Å; I216-R218 PolarHBondContact O-N 3.47Å; I216-L225 HydrophobicContact CB-CD2 4.03Å; I216-L225 HydrophobicContact CG2-CB 3.98Å; I216-L225 HydrophobicContact CG2-CD2 4.02Å; I216-L225 HydrophobicContact CG2-CG 4.49Å; I216-L227 HydrophobicContact CD1-CD1 4.19Å; I216-L227 HydrophobicContact CD1-CD2 4.1Å; I216-L227 HydrophobicContact CD1-CG 4.49Å; I216-L227 HydrophobicContact CG2-CD2 3.92Å; I216-L227 HydrophobicContact CG2-CG 4.01Å; I216-Y245 HydrophobicContact CG1-CD1 4.44Å; I216-Y245 HydrophobicContact CG1-CE1 4.21Å
217A90.9Very high89Confident12 Ų1280.6 Ų80.610%0.09940%0.395CS..PPolyproline II helixtrans-64.2134.9-179.200000110.7K226 T244 I246A217-K226 HydrophobicContact CB-CB 4.41Å; A217-K226 HydrophobicContact CB-CD 3.92Å; A217-K226 HydrophobicContact CB-CG 4.35Å; A217-K226 WeakPolarHBondContact O-CB 3.26Å; A217-K226 WeakPolarHBondContact O-CG 3.39Å; A217-K226 PolarHBondContact O-N 2.66Å; A217-T244 HydrophobicContact CB-CG2 4.19Å; A217-T244 WeakPolarHBondContact CB-O 3.43Å; A217-T244 PolarHBondContact N-O 3.21Å; A217-I246 HydrophobicContact CB-CG1 4.06Å
218R90.8Very high88.9Confident177 Ų17783.4 Ų83.467%0.66841%0.406SS*.BIsolated β-bridgetrans-95.3143.9172.6-68.7175.5-175.4175-0.1109.4I216 K224 L225I216-R218 PolarHBondContact O-N 3.47Å; R218-K224 WeakPolarHBondContact CA-O 3.38Å; R218-L225 HydrophobicContact CG-CD2 3.55Å; R218-L225 HydrophobicContact CG-CG 4.49Å
219D86.4Confident89Confident65 Ų6579 Ų7935%0.34839%0.386SS..PPolyproline II helixtrans-67.1140.1168.4-154.9-16.7000109.9L221 D222 K223 K224D219-L221 VanDerWaalsContact C-N 3.3Å; D219-L221 PolarHBondContact O-N 3.2Å; D219-D222 HydrophobicContact CB-CB 4.47Å; D219-K223 WeakPolarHBondContact O-CA 3.12Å; D219-K223 PolarHBondContact O-N 3.15Å; D219-K223 VanDerWaalsContact O-N 3.13Å; D219-K224 PolarHBondContact N-O 3.17Å
220L83.1Confident89Confident170 Ų17082.7 Ų82.789%0.8940%0.4SS*.THydrogen-bonded Turntrans-69.2-32.8-176.4-67.5173.1000111.5
221L83.3Confident89Confident124 Ų12488.5 Ų88.565%0.64943%0.425SS*.THydrogen-bonded Turntrans-86.6-57.4-177.2-59.2176.6000110.9D219 L292D219-L221 VanDerWaalsContact C-N 3.3Å; D219-L221 PolarHBondContact O-N 3.2Å; L221-L292 HydrophobicContact CD1-CD2 3.92Å
222D82.5Confident88.9Confident126 Ų12688.6 Ų88.667%0.67442%0.423SS*.THydrogen-bonded Turntrans-86.7-9.2-170.1-70.6-21.6000114D219 K224D219-D222 HydrophobicContact CB-CB 4.47Å; D222-K224 HydrophobicContact CB-CB 4.2Å; D222-K224 PolarHBondContact O-N 3.23Å
223K80.1Confident88.9Confident173 Ų17390.8 Ų90.875%0.75244%0.441SS*.  trans55.25.1-170.3-60178.8-179.1176.90114.8D219D219-K223 WeakPolarHBondContact O-CA 3.12Å; D219-K223 PolarHBondContact O-N 3.15Å; D219-K223 VanDerWaalsContact O-N 3.13Å
224K85.4Confident88.7Confident137 Ų13798.4 Ų98.460%0.59647%0.473SS*.  trans-73.4141.7177.7-169.8175.9179.3178.80109.8R218 D219 D222R218-K224 WeakPolarHBondContact CA-O 3.38Å; D219-K224 PolarHBondContact N-O 3.17Å; D222-K224 HydrophobicContact CB-CB 4.2Å; D222-K224 PolarHBondContact O-N 3.23Å
225L89.4Confident88.3Confident31 Ų31102.9 Ų102.916%0.16249%0.492CS..BIsolated β-bridgetrans-65.1140.2174.3-64.7169.7000110.4E207 I216 R218 L227E207-L225 HydrophobicContact CG-CD1 3.66Å; E207-L225 WeakPolarHBondContact OE1-CD1 3.47Å; E207-L225 WeakPolarHBondContact OE2-CD1 3.47Å; I216-L225 HydrophobicContact CB-CD2 4.03Å; I216-L225 HydrophobicContact CG2-CB 3.98Å; I216-L225 HydrophobicContact CG2-CD2 4.02Å; I216-L225 HydrophobicContact CG2-CG 4.49Å; R218-L225 HydrophobicContact CG-CD2 3.55Å; R218-L225 HydrophobicContact CG-CG 4.49Å; L225-L227 HydrophobicContact CB-CD1 4.16Å; L225-L227 HydrophobicContact CB-CG 4.16Å; L225-L227 HydrophobicContact CD1-CD1 4.37Å; L225-L227 PolarHBondContact O-N 3.17Å
226K90.6Very high88.1Confident92 Ų92102.9 Ų102.940%0.449%0.489SS..SBendtrans-75.863.3177.1-69.1-171.6179.3178.80110.7A217 T244A217-K226 HydrophobicContact CB-CB 4.41Å; A217-K226 HydrophobicContact CB-CD 3.92Å; A217-K226 HydrophobicContact CB-CG 4.35Å; A217-K226 WeakPolarHBondContact O-CB 3.26Å; A217-K226 WeakPolarHBondContact O-CG 3.39Å; A217-K226 PolarHBondContact O-N 2.66Å; K226-T244 HydrophobicContact CD-CG2 4.3Å; K226-T244 PolarHBondContact O-N 2.71Å; K226-T244 VanDerWaalsContact O-N 3.07Å
227L92.4Very high87.9Confident17 Ų17103.9 Ų103.99%0.08949%0.494CS..EExtended strand (participates in β ladder)trans-113.8130.5172.8-61.2172.3000108.5F206 E207 I216 L225 C243F206-L227 HydrophobicContact CD1-CB 4.3Å; F206-L227 HydrophobicContact CD1-CD1 4.33Å; F206-L227 HydrophobicContact CD1-CD2 3.96Å; F206-L227 HydrophobicContact CD1-CG 4.43Å; F206-L227 HydrophobicContact CE1-CB 4.38Å; F206-L227 HydrophobicContact CE1-CD2 3.73Å; E207-L227 HydrophobicContact CB-CD1 3.76Å; E207-L227 HydrophobicContact CG-CD1 4.22Å; I216-L227 HydrophobicContact CD1-CD1 4.19Å; I216-L227 HydrophobicContact CD1-CD2 4.1Å; I216-L227 HydrophobicContact CD1-CG 4.49Å; I216-L227 HydrophobicContact CG2-CD2 3.92Å; I216-L227 HydrophobicContact CG2-CG 4.01Å; L225-L227 HydrophobicContact CB-CD1 4.16Å; L225-L227 HydrophobicContact CB-CG 4.16Å; L225-L227 HydrophobicContact CD1-CD1 4.37Å; L225-L227 PolarHBondContact O-N 3.17Å; L227-C243 HydrophobicContact CD2-CB 3.79Å; L227-C243 WeakPolarHBondContact CD2-SG 3.46Å
228K91.1Very high87.8Confident137 Ų137108.4 Ų108.460%0.59651%0.512SS*.EExtended strand (participates in β ladder)trans-130.8118.6176.6-63.2-179.7-179.3176.50109.1G241 L242K228-G241 CarbonylContact O-C 3.59Å; K228-G241 VanDerWaalsContact O-CA 3.23Å; K228-G241 WeakPolarHBondContact O-CA 3.37Å; K228-L242 HydrophobicContact CB-CB 4.33Å; K228-L242 PolarHBondContact N-O 2.98Å; K228-L242 PolarHBondContact O-N 3.16Å
229L92.8Very high87.8Confident34 Ų34100.3 Ų100.318%0.17848%0.483CS..EExtended strand (participates in β ladder)trans-93.2129.9169-67.6173.3000108.8L197 V201 L203 F206 L237L197-L229 HydrophobicContact CD1-CD2 3.78Å; V201-L229 HydrophobicContact CG1-CD1 4.12Å; V201-L229 HydrophobicContact CG1-CD2 4.24Å; L203-L229 HydrophobicContact CD2-CD1 3.61Å; L203-L229 HydrophobicContact CD2-CG 3.83Å; L203-L229 HydrophobicContact CG-CD1 4.04Å; F206-L229 HydrophobicContact CD1-CD2 4.05Å; F206-L229 HydrophobicContact CD2-CD2 4.24Å; F206-L229 HydrophobicContact CE1-CD2 4.3Å; F206-L229 HydrophobicContact CE2-CD2 4.48Å; F206-L229 HydrophobicContact CG-CD2 4.01Å; L229-L237 HydrophobicContact CB-CD2 4.13Å; L229-L237 HydrophobicContact CD1-CD2 4.46Å
230Y92.6Very high88.1Confident90 Ų9098.4 Ų98.435%0.35347%0.473SS..EExtended strand (participates in β ladder)trans-81135.4177.9-67.1-73.2000110.3Y193 K238 D240 L242Y193-Y230 HydrophobicContact CD2-CE2 4.21Å; Y193-Y230 HydrophobicContact CE2-CD2 4.07Å; Y193-Y230 AromaticContact CE2-CE2 3.68Å; Y193-Y230 HydrophobicContact CE2-CE2 3.68Å; Y230-K238 WeakPolarHBondContact O-CB 3.31Å; Y230-K238 PolarHBondContact O-N 2.98Å; Y230-D240 HydrophobicContact CD2-CB 4.17Å; Y230-D240 PolarHBondContact N-O 2.97Å; Y230-L242 HydrophobicContact CE2-CB 4.01Å
231K92.5Very high88.6Confident121 Ų12190.3 Ų90.353%0.52643%0.431SS..EExtended strand (participates in β ladder)trans-110.3147174.4-69.5174.3162-153.30109.5D235 E236 L237K231-D235 WeakPolarHBondContact CD-OD1 3.38Å; K231-D235 IonicContact NZ-OD1 3.88Å; K231-D235 PolarHBondContact NZ-OD1 2.89Å; K231-E236 CarbonylContact C-O 3.51Å; K231-E236 WeakPolarHBondContact CA-O 3.31Å; K231-L237 HydrophobicContact CG-CD2 3.89Å
232T89.9Confident89.2Confident59 Ų5985 Ų8536%0.36240%0.403SS..  trans-75.9162.7170.1-51.60000109.1K234 D235 E236T232-K234 PolarHBondContact O-N 3.31Å; T232-D235 PolarHBondContact O-N 2.83Å; T232-E236 PolarHBondContact N-O 3.19Å
233D90.2Very high89.7Confident174 Ų17479 Ų7993%0.9337%0.371SS*.THydrogen-bonded Turntrans-56.8-18178-55.8-46.2000113.8D235D233-D235 VanDerWaalsContact C-N 3.3Å; D233-D235 PolarHBondContact O-N 3.48Å
234K84.2Confident90.3Very high169 Ų16971.9 Ų71.974%0.73534%0.342SS*.THydrogen-bonded Turntrans-87.513.9175.9-59.6-178.2-178.1176.10114.1T232 E236T232-K234 PolarHBondContact O-N 3.31Å; K234-E236 PolarHBondContact O-N 3.35Å; K234-E236 VanDerWaalsContact O-N 3.07Å
235D82.5Confident90.8Very high112 Ų11265.5 Ų65.560%0.59931%0.314SS*.SBendtrans60.56.9-175.4-161.131000115.6K231 T232 D233K231-D235 WeakPolarHBondContact CD-OD1 3.38Å; K231-D235 IonicContact NZ-OD1 3.88Å; K231-D235 PolarHBondContact NZ-OD1 2.89Å; T232-D235 PolarHBondContact O-N 2.83Å; D233-D235 VanDerWaalsContact C-N 3.3Å; D233-D235 PolarHBondContact O-N 3.48Å
236E86.9Confident90.9Very high130 Ų13069 Ų6961%0.60733%0.332SS*.SBendtrans-80145.1170.8-66.217417200110.7K231 T232 K234 K238K231-E236 CarbonylContact C-O 3.51Å; K231-E236 WeakPolarHBondContact CA-O 3.31Å; T232-E236 PolarHBondContact N-O 3.19Å; K234-E236 PolarHBondContact O-N 3.35Å; K234-E236 VanDerWaalsContact O-N 3.07Å; E236-K238 PolarHBondContact O-N 3.24Å
237L87.9Confident90.9Very high31 Ų3170.5 Ų70.516%0.16234%0.338CS..EExtended strand (participates in β ladder)trans-63.9129.5176.2-66.7173000109.6L199 V201 L229 K231 G239L199-L237 WeakPolarHBondContact CD2-O 3.32Å; L199-L237 WeakPolarHBondContact O-CD1 3.27Å; V201-L237 HydrophobicContact CG1-CD1 3.98Å; V201-L237 WeakPolarHBondContact O-CD1 3.45Å; L229-L237 HydrophobicContact CB-CD2 4.13Å; L229-L237 HydrophobicContact CD1-CD2 4.46Å; K231-L237 HydrophobicContact CG-CD2 3.89Å; L237-G239 PolarHBondContact O-N 2.9Å
238K90.1Very high90.9Very high108 Ų10873 Ų7347%0.4735%0.348SS..EExtended strand (participates in β ladder)trans-67.6-16.3179.8-171.9171.4178.8-100.30112.4Y230 E236 D240Y230-K238 WeakPolarHBondContact O-CB 3.31Å; Y230-K238 PolarHBondContact O-N 2.98Å; E236-K238 PolarHBondContact O-N 3.24Å; K238-D240 VanDerWaalsContact C-N 3.32Å; K238-D240 IonicContact NZ-OD2 3.99Å; K238-D240 PolarHBondContact NZ-OD2 3.09Å
239G90.8Very high90.9Very high7 Ų772.9 Ų72.97%0.07235%0.35CS..EExtended strand (participates in β ladder)trans82.112.1-169.500000113.1G196 L197 L237G196-G239 PolarHBondContact N-O 3.49Å; G196-G239 VanDerWaalsContact N-O 3.12Å; L197-G239 WeakPolarHBondContact CB-O 3.34Å; L197-G239 PolarHBondContact N-O 2.98Å; L197-G239 WeakPolarHBondContact O-CA 3.44Å; L237-G239 PolarHBondContact O-N 2.9Å
240D93Very high91Very high24 Ų2472 Ų7213%0.12835%0.347CS..EExtended strand (participates in β ladder)trans-122.6149.7177.9-57.7-36.3000111Y193 V194 S195 Y230 K238Y193-D240 HydrophobicContact CE2-CB 4.27Å; Y193-D240 VanDerWaalsContact OH-CB 3.26Å; Y193-D240 WeakPolarHBondContact OH-CB 3.29Å; Y193-D240 PolarHBondContact OH-OD2 2.93Å; V194-D240 CarbonylContact O-C 3.5Å; V194-D240 VanDerWaalsContact O-CA 3.29Å; V194-D240 WeakPolarHBondContact O-CA 3.49Å; S195-D240 WeakPolarHBondContact CA-OD1 3.27Å; S195-D240 VanDerWaalsContact CB-OD1 3.29Å; S195-D240 WeakPolarHBondContact CB-OD1 3.19Å; Y230-D240 HydrophobicContact CD2-CB 4.17Å; Y230-D240 PolarHBondContact N-O 2.97Å; K238-D240 VanDerWaalsContact C-N 3.32Å; K238-D240 IonicContact NZ-OD2 3.99Å; K238-D240 PolarHBondContact NZ-OD2 3.09Å
241G93.6Very high91Very high0 Ų067.9 Ų67.90%033%0.331CS..EExtended strand (participates in β ladder)trans-146.7162.1179.100000113.3V194 K228V194-G241 PolarHBondContact N-O 3.18Å; V194-G241 PolarHBondContact O-N 2.95Å; K228-G241 CarbonylContact O-C 3.59Å; K228-G241 VanDerWaalsContact O-CA 3.23Å; K228-G241 WeakPolarHBondContact O-CA 3.37Å
242L94Very high91Very high14 Ų1466.1 Ų66.17%0.07333%0.325CS..EExtended strand (participates in β ladder)trans-121.1130.3173.7-173.576.9000108.9V192 K228 Y230 A273 F275V192-L242 WeakPolarHBondContact O-CA 3.41Å; K228-L242 HydrophobicContact CB-CB 4.33Å; K228-L242 PolarHBondContact N-O 2.98Å; K228-L242 PolarHBondContact O-N 3.16Å; Y230-L242 HydrophobicContact CE2-CB 4.01Å; L242-A273 HydrophobicContact CD1-CB 3.67Å; L242-F275 HydrophobicContact CD1-CE1 4.38Å; L242-F275 HydrophobicContact CD1-CZ 4.11Å; L242-F275 HydrophobicContact CD2-CE1 4.24Å; L242-F275 HydrophobicContact CD2-CZ 4.28Å
243C93.6Very high91.2Very high0 Ų066.7 Ų66.70%033%0.325CS..EExtended strand (participates in β ladder)trans-122.7130.1175.4179.70000109.7S191 V192 F206 M210 L227S191-C243 CarbonylContact C-O 3.54Å; S191-C243 WeakPolarHBondContact CA-O 3.47Å; V192-C243 PolarHBondContact N-O 3.06Å; V192-C243 PolarHBondContact O-N 3.11Å; F206-C243 HydrophobicContact CE1-CB 4.34Å; F206-C243 HydrophobicContact CZ-CB 4.36Å; M210-C243 HydrophobicContact CG-CB 4.22Å; M210-C243 HydrophobicContact SD-CB 4.16Å; L227-C243 HydrophobicContact CD2-CB 3.79Å; L227-C243 WeakPolarHBondContact CD2-SG 3.46Å
244T93.4Very high91.4Very high23 Ų2358.4 Ų58.414%0.14128%0.281CS..EExtended strand (participates in β ladder)trans-108.1121.1174.6-54.20000110.4S191 A217 K226S191-T244 WeakPolarHBondContact OG-CG2 3.45Å; S191-T244 PolarHBondContact OG-OG1 2.61Å; A217-T244 HydrophobicContact CB-CG2 4.19Å; A217-T244 WeakPolarHBondContact CB-O 3.43Å; A217-T244 PolarHBondContact N-O 3.21Å; K226-T244 HydrophobicContact CD-CG2 4.3Å; K226-T244 PolarHBondContact O-N 2.71Å; K226-T244 VanDerWaalsContact O-N 3.07Å
245Y94.8Very high91.8Very high2 Ų254.5 Ų54.51%0.00827%0.265CS..BIsolated β-bridgetrans-87.7159.9174.4-68.3-70.8000111.8T190 V192 M210 I216 V251 A254T190-Y245 WeakPolarHBondContact CB-O 3.39Å; T190-Y245 PolarHBondContact O-N 3.35Å; V192-Y245 HydrophobicContact CB-CE2 4.24Å; V192-Y245 HydrophobicContact CG2-CD2 3.75Å; V192-Y245 HydrophobicContact CG2-CE2 3.61Å; M210-Y245 WeakPolarHBondContact O-CE1 3.26Å; M210-Y245 PolarHBondContact O-OH 3.36Å; I216-Y245 HydrophobicContact CG1-CD1 4.44Å; I216-Y245 HydrophobicContact CG1-CE1 4.21Å; Y245-V251 HydrophobicContact CD2-CG2 4.03Å; Y245-A254 HydrophobicContact CE2-CB 3.85Å
246I92.2Very high92.3Very high104 Ų10457.1 Ų57.153%0.53327%0.271SS..SBendtrans-71.1-35.5173.3-62.5175.8000110.9L215 A217L215-I246 HydrophobicContact CB-CD1 3.71Å; L215-I246 HydrophobicContact CB-CG1 4.33Å; L215-I246 WeakPolarHBondContact O-CG1 3.17Å; L215-I246 PolarHBondContact O-N 3.28Å; A217-I246 HydrophobicContact CB-CG1 4.06Å
247K91.7Very high92.6Very high124 Ų12456 Ų5654%0.53927%0.268SS..SBendtrans-119147.8-176-66-172.1172.8-167.80111.7S250K247-S250 PolarHBondContact O-N 3.17Å
248K91.2Very high92.8Very high70 Ų7054.6 Ų54.630%0.30426%0.261SS..Hα-helixtrans-63.1-39.5172.2-175.7-157.3176166.50112.2E187 S250 V251 E252E187-K248 WeakPolarHBondContact O-CD 3.42Å; E187-K248 WeakPolarHBondContact O-CE 3.28Å; E187-K248 PolarHBondContact O-NZ 3.28Å; K248-S250 PolarHBondContact O-N 3.26Å; K248-S250 VanDerWaalsContact O-N 3.1Å; K248-V251 WeakPolarHBondContact O-CA 3.4Å; K248-V251 VanDerWaalsContact O-CB 3.23Å; K248-V251 WeakPolarHBondContact O-CB 3.35Å; K248-V251 PolarHBondContact O-N 3.46Å; K248-E252 WeakPolarHBondContact CE-OE1 3.37Å; K248-E252 PolarHBondContact O-N 2.84Å
249E92.2Very high93Very high135 Ų13553.7 Ų53.763%0.63126%0.261SS*.Hα-helixtrans-54.7-34179.4-61.1169.8167.600112.4V251 E252 L253E249-V251 VanDerWaalsContact C-N 3.31Å; E249-V251 PolarHBondContact O-N 2.93Å; E249-E252 PolarHBondContact O-N 3.44Å; E249-L253 WeakPolarHBondContact O-CB 3.46Å; E249-L253 PolarHBondContact O-N 2.87Å
250S93.5Very high93Very high16 Ų1655 Ų5511%0.11227%0.274CS..Hα-helixtrans-68.8-27.2176.4-60.80000113.2K247 K248 A254K247-S250 PolarHBondContact O-N 3.17Å; K248-S250 PolarHBondContact O-N 3.26Å; K248-S250 VanDerWaalsContact O-N 3.1Å; S250-A254 WeakPolarHBondContact O-CB 3.3Å; S250-A254 PolarHBondContact O-N 3.49Å
251V92.8Very high93Very high3 Ų358 Ų582%0.01828%0.284CS..Hα-helixtrans-67.9-49.9174.5174.80000110.3T190 V192 Y245 K248 E249 L253 A254 E255 Q272T190-V251 VanDerWaalsContact C-CG2 3.47Å; T190-V251 WeakPolarHBondContact O-CG2 3.36Å; V192-V251 HydrophobicContact CG2-CB 3.89Å; V192-V251 HydrophobicContact CG2-CG1 3.55Å; V192-V251 HydrophobicContact CG2-CG2 3.73Å; Y245-V251 HydrophobicContact CD2-CG2 4.03Å; K248-V251 WeakPolarHBondContact O-CA 3.4Å; K248-V251 VanDerWaalsContact O-CB 3.23Å; K248-V251 WeakPolarHBondContact O-CB 3.35Å; K248-V251 PolarHBondContact O-N 3.46Å; E249-V251 VanDerWaalsContact C-N 3.31Å; E249-V251 PolarHBondContact O-N 2.93Å; V251-L253 VanDerWaalsContact C-N 3.29Å; V251-L253 PolarHBondContact O-N 3.11Å; V251-A254 PolarHBondContact O-N 2.69Å; V251-E255 PolarHBondContact O-N 3.31Å; V251-Q272 HydrophobicContact CG1-CB 4.29Å; V251-Q272 HydrophobicContact CG1-CG 4.02Å
252E93Very high92.9Very high84 Ų8462.1 Ų62.139%0.39331%0.306SS..Hα-helixtrans-63.9-36.9178.6-63.6-180-16300111.9K248 E249 K256K248-E252 WeakPolarHBondContact CE-OE1 3.37Å; K248-E252 PolarHBondContact O-N 2.84Å; E249-E252 PolarHBondContact O-N 3.44Å; E252-K256 WeakPolarHBondContact O-CG 3.45Å; E252-K256 PolarHBondContact O-N 3.4Å
253L93.5Very high92.6Very high70 Ų7062 Ų6237%0.36631%0.306SS..Hα-helixtrans-68.7-41.7175.4-171.5156.9000111.3C213 E249 V251 K256 I257C213-L253 HydrophobicContact CB-CD2 3.41Å; C213-L253 VanDerWaalsContact CB-CD2 3.41Å; C213-L253 VanDerWaalsContact SG-CD2 3.53Å; E249-L253 WeakPolarHBondContact O-CB 3.46Å; E249-L253 PolarHBondContact O-N 2.87Å; V251-L253 VanDerWaalsContact C-N 3.29Å; V251-L253 PolarHBondContact O-N 3.11Å; L253-K256 PolarHBondContact O-N 2.93Å; L253-I257 HydrophobicContact CD2-CD1 3.54Å; L253-I257 HydrophobicContact CD2-CG1 4.2Å; L253-I257 HydrophobicContact CG-CD1 3.85Å; L253-I257 HydrophobicContact CG-CG1 4.46Å; L253-I257 WeakPolarHBondContact O-CB 3.32Å; L253-I257 WeakPolarHBondContact O-CG1 3.42Å; L253-I257 PolarHBondContact O-N 3.05Å
254A93.9Very high92.2Very high0 Ų068.6 Ų68.60%033%0.331CS..Hα-helixtrans-61.5-43176.300000111.8C213 Y245 S250 V251 K256 L258 V270C213-A254 HydrophobicContact CB-CB 3.94Å; Y245-A254 HydrophobicContact CE2-CB 3.85Å; S250-A254 WeakPolarHBondContact O-CB 3.3Å; S250-A254 PolarHBondContact O-N 3.49Å; V251-A254 PolarHBondContact O-N 2.69Å; A254-K256 PolarHBondContact O-N 3.1Å; A254-L258 HydrophobicContact CB-CD1 4.17Å; A254-L258 WeakPolarHBondContact O-CA 3.43Å; A254-L258 VanDerWaalsContact O-CB 3.24Å; A254-L258 WeakPolarHBondContact O-CB 3.5Å; A254-L258 PolarHBondContact O-N 3.14Å; A254-V270 HydrophobicContact CB-CG1 4.38Å
255E93.4Very high91.8Very high88 Ų8871 Ų7141%0.41136%0.36SS..Hα-helixtrans-61.2-42.9175-174174.5-17300111.8V251 D259V251-E255 PolarHBondContact O-N 3.31Å; E255-D259 WeakPolarHBondContact O-CB 3.29Å
256K93.2Very high91.5Very high166 Ų16675.4 Ų75.472%0.72238%0.38SS*.Hα-helixtrans-71.4-34.3-179-71.7168.6-175.2163.20114.3E252 L253 A254E252-K256 WeakPolarHBondContact O-CG 3.45Å; E252-K256 PolarHBondContact O-N 3.4Å; L253-K256 PolarHBondContact O-N 2.93Å; A254-K256 PolarHBondContact O-N 3.1Å
257I93.6Very high91.5Very high107 Ų10776.8 Ų76.855%0.54938%0.383SS..Hα-helixtrans-102.3-36.9-170.9-60.9-173.6000112.5L253L253-I257 HydrophobicContact CD2-CD1 3.54Å; L253-I257 HydrophobicContact CD2-CG1 4.2Å; L253-I257 HydrophobicContact CG-CD1 3.85Å; L253-I257 HydrophobicContact CG-CG1 4.46Å; L253-I257 WeakPolarHBondContact O-CB 3.32Å; L253-I257 WeakPolarHBondContact O-CG1 3.42Å; L253-I257 PolarHBondContact O-N 3.05Å
258L92Very high91.7Very high2 Ų271 Ų711%0.0136%0.357CS..Hα-helixtrans-94.3-13.5-174.8-62173.8000113.4V209 M210 C213 A254 G260 Y261 I268 V270V209-L258 HydrophobicContact CG1-CD2 3.97Å; M210-L258 HydrophobicContact CE-CD1 4.18Å; M210-L258 HydrophobicContact SD-CD1 4.05Å; C213-L258 HydrophobicContact CB-CD1 4.12Å; C213-L258 VanDerWaalsContact SG-CD1 3.52Å; C213-L258 WeakPolarHBondContact SG-CG 3.45Å; A254-L258 HydrophobicContact CB-CD1 4.17Å; A254-L258 WeakPolarHBondContact O-CA 3.43Å; A254-L258 VanDerWaalsContact O-CB 3.24Å; A254-L258 WeakPolarHBondContact O-CB 3.5Å; A254-L258 PolarHBondContact O-N 3.14Å; L258-G260 PolarHBondContact O-N 3.15Å; L258-Y261 HydrophobicContact CD2-CG 4.33Å; L258-Y261 VanDerWaalsContact O-CB 3.24Å; L258-Y261 WeakPolarHBondContact O-CB 3.41Å; L258-Y261 PolarHBondContact O-N 3.22Å; L258-I268 HydrophobicContact CB-CD1 4.38Å; L258-I268 WeakPolarHBondContact O-CG1 3.4Å; L258-V270 HydrophobicContact CB-CB 4.48Å; L258-V270 HydrophobicContact CB-CG2 3.75Å
259D93.2Very high91.8Very high89 Ų8972.3 Ų72.348%0.47636%0.363SS..THydrogen-bonded Turntrans-65.9116.7174.5-166.641.9000110.4E255 K269 V270E255-D259 WeakPolarHBondContact O-CB 3.29Å; D259-K269 WeakPolarHBondContact OD1-CA 3.37Å; D259-K269 WeakPolarHBondContact OD1-CG 3.4Å; D259-V270 PolarHBondContact OD1-N 3.05Å
260G91.4Very high91.9Very high33 Ų3366 Ų6634%0.3433%0.334SS..THydrogen-bonded Turntrans87.37.7-173.100000115.5L258 D262 I268L258-G260 PolarHBondContact O-N 3.15Å; G260-D262 PolarHBondContact O-N 2.78Å; G260-I268 WeakPolarHBondContact CA-O 3.28Å; G260-I268 PolarHBondContact N-O 3.44Å
261Y92.6Very high91.9Very high87 Ų8769.2 Ų69.234%0.34135%0.347SS..  trans-64131.8176.7-172.9-104.1000111.4V209 K212 L258 I263 I268V209-Y261 HydrophobicContact CG1-CD1 3.82Å; V209-Y261 HydrophobicContact CG1-CE1 3.92Å; V209-Y261 HydrophobicContact CG2-CE1 3.93Å; K212-Y261 PolarHBondContact NZ-OH 3.23Å; L258-Y261 HydrophobicContact CD2-CG 4.33Å; L258-Y261 VanDerWaalsContact O-CB 3.24Å; L258-Y261 WeakPolarHBondContact O-CB 3.41Å; L258-Y261 PolarHBondContact O-N 3.22Å; Y261-I263 HydrophobicContact CD1-CD1 4.41Å; Y261-I263 HydrophobicContact CD1-CG1 3.69Å; Y261-I263 HydrophobicContact CE1-CG1 3.93Å; Y261-I263 PolarHBondContact O-N 3.42Å; Y261-I268 HydrophobicContact CD1-CD1 4.43Å; Y261-I268 WeakPolarHBondContact O-CG1 3.37Å; Y261-I268 PolarHBondContact O-N 3.26Å
262D91.5Very high91.9Very high87 Ų8772.2 Ų72.247%0.46536%0.361SS..EExtended strand (participates in β ladder)trans-88.1105.1-177.1-71-48.7000110.8G260 K267G260-D262 PolarHBondContact O-N 2.78Å; D262-K267 VanDerWaalsContact CG-NZ 3.28Å; D262-K267 WeakPolarHBondContact OD1-CE 3.05Å; D262-K267 WeakPolarHBondContact OD1-CG 3.37Å; D262-K267 IonicContact OD1-NZ 2.79Å; D262-K267 PolarHBondContact OD1-NZ 3.36Å; D262-K267 IonicContact OD2-NZ 3Å; D262-K267 PolarHBondContact OD2-NZ 2.98Å
263I88Confident91.8Very high12 Ų1268.3 Ų68.36%0.06234%0.343CS..EExtended strand (participates in β ladder)trans-100.6111.6170.6-55.5-178.1000108.4L197 P198 V209 Y261 G265 H266 I268L197-I263 HydrophobicContact CD2-CD1 3.93Å; P198-I263 HydrophobicContact CG-CB 4.43Å; P198-I263 HydrophobicContact CG-CG2 3.99Å; V209-I263 HydrophobicContact CB-CD1 4.36Å; V209-I263 HydrophobicContact CG1-CD1 4.15Å; V209-I263 HydrophobicContact CG2-CD1 3.86Å; V209-I263 HydrophobicContact CG2-CG1 4.26Å; Y261-I263 HydrophobicContact CD1-CD1 4.41Å; Y261-I263 HydrophobicContact CD1-CG1 3.69Å; Y261-I263 HydrophobicContact CE1-CG1 3.93Å; Y261-I263 PolarHBondContact O-N 3.42Å; I263-G265 PolarHBondContact O-N 2.86Å; I263-G265 VanDerWaalsContact O-N 3.1Å; I263-H266 PolarHBondContact N-O 3.2Å; I263-H266 WeakPolarHBondContact O-CB 3.33Å; I263-H266 PolarHBondContact O-N 2.79Å; I263-I268 HydrophobicContact CB-CG2 4.48Å; I263-I268 HydrophobicContact CD1-CD1 4.16Å; I263-I268 HydrophobicContact CD1-CG2 3.64Å; I263-I268 HydrophobicContact CG1-CG2 3.98Å
264R85.2Confident91.4Very high139 Ų13973.6 Ų73.653%0.52536%0.358SS..THydrogen-bonded Turntrans49.938.6179.1-59.9-178.4178.2-166.6-6.7113.1P198 D200 E205 H266P198-R264 HydrophobicContact CG-CB 4.35Å; D200-R264 IonicContact OD2-CZ 3.84Å; D200-R264 IonicContact OD2-NH1 3.64Å; D200-R264 PolarHBondContact OD2-NH1 3.4Å; E205-R264 IonicContact OE1-CZ 2.73Å; E205-R264 IonicContact OE1-NH1 2.66Å; E205-R264 IonicContact OE1-NH2 3.44Å; E205-R264 PolarHBondContact OE1-NH2 2.9Å; E205-R264 IonicContact OE2-CZ 3.94Å; E205-R264 IonicContact OE2-NE 3.92Å; E205-R264 PolarHBondContact OE2-NE 2.84Å; E205-R264 IonicContact OE2-NH1 2.85Å; E205-R264 IonicContact OE2-NH2 3.03Å; E205-R264 PolarHBondContact OE2-NH2 2.79Å; R264-H266 VanDerWaalsContact C-N 3.32Å; R264-H266 PolarHBondContact O-N 2.92Å; R264-H266 PolarHBondContact O-ND1 2.92Å
265G85.8Confident90.8Very high73 Ų7379.6 Ų79.675%0.75338%0.384SS*.THydrogen-bonded Turntrans812-178.300000115.7I263I263-G265 PolarHBondContact O-N 2.86Å; I263-G265 VanDerWaalsContact O-N 3.1Å
266H87.8Confident90Very high95 Ų9581.6 Ų81.644%0.4439%0.394SS..EExtended strand (participates in β ladder)trans-101.3122.8172.9-61.872.5000109.7P198 I263 R264 I268P198-H266 HydrophobicContact CG-CB 4.18Å; I263-H266 PolarHBondContact N-O 3.2Å; I263-H266 WeakPolarHBondContact O-CB 3.33Å; I263-H266 PolarHBondContact O-N 2.79Å; R264-H266 VanDerWaalsContact C-N 3.32Å; R264-H266 PolarHBondContact O-N 2.92Å; R264-H266 PolarHBondContact O-ND1 2.92Å; H266-I268 PolarHBondContact O-N 2.82Å
267K92.7Very high88.9Confident133 Ų13378.9 Ų78.958%0.57839%0.387SS*.EExtended strand (participates in β ladder)trans-75.9114.2174-75.7-176.8-177.5-54.50109.3D262D262-K267 VanDerWaalsContact CG-NZ 3.28Å; D262-K267 WeakPolarHBondContact OD1-CE 3.05Å; D262-K267 WeakPolarHBondContact OD1-CG 3.37Å; D262-K267 IonicContact OD1-NZ 2.79Å; D262-K267 PolarHBondContact OD1-NZ 3.36Å; D262-K267 IonicContact OD2-NZ 3Å; D262-K267 PolarHBondContact OD2-NZ 2.98Å
268I94.3Very high87.4Confident2 Ų284 Ų841%0.0141%0.405CS..  trans-78.6146.4173.566.9170.3000110.4V194 S195 L197 V209 M210 L258 G260 Y261 I263 H266 V270V194-I268 HydrophobicContact CG1-CB 4.17Å; V194-I268 HydrophobicContact CG1-CD1 4.14Å; S195-I268 WeakPolarHBondContact O-CA 3.32Å; L197-I268 HydrophobicContact CD2-CG2 3.81Å; V209-I268 HydrophobicContact CG1-CD1 4.32Å; M210-I268 HydrophobicContact CE-CD1 4.2Å; L258-I268 HydrophobicContact CB-CD1 4.38Å; L258-I268 WeakPolarHBondContact O-CG1 3.4Å; G260-I268 WeakPolarHBondContact CA-O 3.28Å; G260-I268 PolarHBondContact N-O 3.44Å; Y261-I268 HydrophobicContact CD1-CD1 4.43Å; Y261-I268 WeakPolarHBondContact O-CG1 3.37Å; Y261-I268 PolarHBondContact O-N 3.26Å; I263-I268 HydrophobicContact CB-CG2 4.48Å; I263-I268 HydrophobicContact CD1-CD1 4.16Å; I263-I268 HydrophobicContact CD1-CG2 3.64Å; I263-I268 HydrophobicContact CG1-CG2 3.98Å; H266-I268 PolarHBondContact O-N 2.82Å; I268-V270 HydrophobicContact CD1-CG2 3.85Å; I268-V270 HydrophobicContact CG1-CG2 4.17Å
269K94.6Very high86.1Confident98 Ų9886.6 Ų86.643%0.42643%0.432SS..EExtended strand (participates in β ladder)trans-112.9127.2170.2-175.2-171.9-175.8-162.60109.1V194 S195 D259 Q271V194-K269 WeakPolarHBondContact CA-O 3.48Å; S195-K269 PolarHBondContact N-O 3.39Å; S195-K269 PolarHBondContact O-N 3.08Å; S195-K269 PolarHBondContact OG-O 2.84Å; D259-K269 WeakPolarHBondContact OD1-CA 3.37Å; D259-K269 WeakPolarHBondContact OD1-CG 3.4Å; K269-Q271 HydrophobicContact CD-CG 4.49Å; K269-Q271 VanDerWaalsContact CE-CD 3.49Å; K269-Q271 HydrophobicContact CG-CG 4.31Å
270V94.9Very high84.4Confident2 Ų290.1 Ų90.11%0.01245%0.451CS..EExtended strand (participates in β ladder)trans-116.3124.4-173.4-177.60000108.9V192 V194 A254 L258 D259 I268V192-V270 HydrophobicContact CG1-CG1 3.2Å; V194-V270 HydrophobicContact CG1-CG2 4.27Å; V194-V270 HydrophobicContact CG2-CG2 4.39Å; A254-V270 HydrophobicContact CB-CG1 4.38Å; L258-V270 HydrophobicContact CB-CB 4.48Å; L258-V270 HydrophobicContact CB-CG2 3.75Å; D259-V270 PolarHBondContact OD1-N 3.05Å; I268-V270 HydrophobicContact CD1-CG2 3.85Å; I268-V270 HydrophobicContact CG1-CG2 4.17Å
271Q93.3Very high82.7Confident83 Ų8393.6 Ų93.639%0.38845%0.454SS..EExtended strand (participates in β ladder)trans-136.5150.7-178.9-57.2-168.8-82.400110.2V192 Y193 K269 A273V192-Q271 WeakPolarHBondContact CG1-O 3.49Å; Y193-Q271 PolarHBondContact N-O 2.94Å; Y193-Q271 PolarHBondContact O-N 2.84Å; K269-Q271 HydrophobicContact CD-CG 4.49Å; K269-Q271 VanDerWaalsContact CE-CD 3.49Å; K269-Q271 HydrophobicContact CG-CG 4.31Å; Q271-A273 PolarHBondContact O-N 2.75Å
272Q92.2Very high81.1Confident66 Ų6693.7 Ų93.731%0.30846%0.461SS..EExtended strand (participates in β ladder)trans-56.6134169.3-169.2174.920.300110E186 I189 V251 R274E186-Q272 PolarHBondContact O-NE2 2.97Å; I189-Q272 HydrophobicContact CB-CG 4.43Å; I189-Q272 HydrophobicContact CG2-CG 4.4Å; I189-Q272 PolarHBondContact O-NE2 3.17Å; V251-Q272 HydrophobicContact CG1-CB 4.29Å; V251-Q272 HydrophobicContact CG1-CG 4.02Å; Q272-R274 PolarHBondContact O-N 2.85Å
273A90.6Very high79.7Confident3 Ų393.5 Ų93.53%0.02546%0.464CS..  trans-70122.1-175.900000110.5S191 L242 Q271 F275S191-A273 VanDerWaalsContact O-CB 3.22Å; S191-A273 WeakPolarHBondContact O-CB 3.41Å; S191-A273 PolarHBondContact O-N 2.99Å; L242-A273 HydrophobicContact CD1-CB 3.67Å; Q271-A273 PolarHBondContact O-N 2.75Å; A273-F275 HydrophobicContact CB-CE2 3.78Å; A273-F275 HydrophobicContact CB-CZ 3.78Å
274R84.8Confident78.5Confident180 Ų18096.9 Ų96.968%0.67949%0.489SS*.  trans-95.8115173.6-164.4176.8-172.8-148.2-4.8109.6Q272 E276Q272-R274 PolarHBondContact O-N 2.85Å; R274-E276 HydrophobicContact CG-CG 4.48Å; R274-E276 IonicContact CZ-OE1 2.75Å; R274-E276 IonicContact NE-OE1 3.84Å; R274-E276 PolarHBondContact NE-OE1 3.44Å; R274-E276 IonicContact NH1-OE1 3.87Å; R274-E276 PolarHBondContact NH1-OE1 3.31Å; R274-E276 IonicContact NH2-OE1 2.73Å; R274-E276 PolarHBondContact NH2-OE1 3.47Å
275F81.9Confident77.2Confident126 Ų12698.3 Ų98.355%0.55350%0.499SS*.  trans-98.497.9179-63-74.7000109.9I189 L242 A273I189-F275 HydrophobicContact CG2-CD2 4.3Å; I189-F275 HydrophobicContact CG2-CE2 3.9Å; L242-F275 HydrophobicContact CD1-CE1 4.38Å; L242-F275 HydrophobicContact CD1-CZ 4.11Å; L242-F275 HydrophobicContact CD2-CE1 4.24Å; L242-F275 HydrophobicContact CD2-CZ 4.28Å; A273-F275 HydrophobicContact CB-CE2 3.78Å; A273-F275 HydrophobicContact CB-CZ 3.78Å
276E76.3Confident75.8Confident130 Ų13099.5 Ų99.561%0.60748%0.483SS*.  trans-94.4138.5167.9-66.9177-17300109R274 K278R274-E276 HydrophobicContact CG-CG 4.48Å; R274-E276 IonicContact CZ-OE1 2.75Å; R274-E276 IonicContact NE-OE1 3.84Å; R274-E276 PolarHBondContact NE-OE1 3.44Å; R274-E276 IonicContact NH1-OE1 3.87Å; R274-E276 PolarHBondContact NH1-OE1 3.31Å; R274-E276 IonicContact NH2-OE1 2.73Å; R274-E276 PolarHBondContact NH2-OE1 3.47Å; E276-K278 PolarHBondContact O-N 3.49Å
277L71.4Confident74Confident110 Ų110102 Ų10258%0.57650%0.495SS*.  trans-66.898.2179.9-131.9141.6000108.9W181 G279W181-L277 HydrophobicContact CB-CD1 4.09Å; W181-L277 HydrophobicContact CD2-CD1 3.76Å; W181-L277 HydrophobicContact CE3-CD1 3.97Å; W181-L277 HydrophobicContact CG-CD1 3.79Å; L277-G279 PolarHBondContact O-N 2.72Å
278K61Low72.1Confident215 Ų215104.8 Ų104.894%0.93551%0.508SS*.  trans-84.994.1-176.1-166.5175.9-178.4177.80110.5E276E276-K278 PolarHBondContact O-N 3.49Å
279G64.4Low70.1Confident55 Ų55110.6 Ų110.657%0.56754%0.535SS*.SBendtrans105.3166.9169.100000115.3L277 Y281L277-G279 PolarHBondContact O-N 2.72Å; G279-Y281 PolarHBondContact O-N 3.27Å
280D58.2Low68.1Low164 Ų164111.1 Ų111.188%0.87754%0.542SS*.  trans-62.2125.9172.3-68.7-45.3000109.5D282D280-D282 PolarHBondContact O-N 3.16Å; D280-D282 VanDerWaalsContact O-N 3.15Å
281Y55.1Low66.3Low106 Ų106121.3 Ų121.342%0.41658%0.58SS.*  trans-65.7111-179.3173-105000110.8W181 G279 P283 K286W181-Y281 HydrophobicContact CH2-CD2 4.15Å; W181-Y281 AromaticContact CH2-CE2 3.95Å; W181-Y281 HydrophobicContact CH2-CE2 3.95Å; W181-Y281 AromaticContact CZ2-CD2 3.51Å; W181-Y281 HydrophobicContact CZ2-CD2 3.51Å; W181-Y281 AromaticContact CZ2-CE2 3.44Å; W181-Y281 HydrophobicContact CZ2-CE2 3.44Å; W181-Y281 VanDerWaalsContact CZ2-CE2 3.44Å; W181-Y281 HydrophobicContact CZ2-CG 4.22Å; G279-Y281 PolarHBondContact O-N 3.27Å; Y281-P283 HydrophobicContact CD1-CB 4.48Å; Y281-P283 HydrophobicContact CE1-CB 3.91Å; Y281-P283 WeakPolarHBondContact O-CD 3.22Å; Y281-K286 HydrophobicContact CE2-CD 4.41Å; Y281-K286 VanDerWaalsContact OH-CD 3.24Å; Y281-K286 WeakPolarHBondContact OH-CD 3.45Å; Y281-K286 WeakPolarHBondContact OH-CE 3.29Å; Y281-K286 PolarHBondContact OH-NZ 3.37Å; Y281-K286 VanDerWaalsContact OH-NZ 3.09Å
282D59.6Low64.5Low89 Ų89122.9 Ų122.948%0.47659%0.591SS.*  trans-82.9103.7169.7-79.8-31000110.2D280 S284 K285D280-D282 PolarHBondContact O-N 3.16Å; D280-D282 VanDerWaalsContact O-N 3.15Å; D282-S284 PolarHBondContact O-N 3.36Å; D282-K285 HydrophobicContact CB-CD 4.2Å; D282-K285 HydrophobicContact CB-CG 4.4Å; D282-K285 PolarHBondContact O-N 2.73Å; D282-K285 IonicContact OD2-NZ 3.46Å; D282-K285 PolarHBondContact OD2-NZ 3.42Å
283P62.5Low62.4Low82 Ų82126.9 Ų126.953%0.53261%0.607SS.*G310 helixtrans-63.5-24-179.525.4-34.4000113.3Y281 K285 K286Y281-P283 HydrophobicContact CD1-CB 4.48Å; Y281-P283 HydrophobicContact CE1-CB 3.91Å; Y281-P283 WeakPolarHBondContact O-CD 3.22Å; P283-K285 PolarHBondContact O-N 3.44Å; P283-K286 PolarHBondContact O-N 2.77Å
284S61.3Low60.9Low84 Ų84130.7 Ų130.759%0.58763%0.627SS**G310 helixtrans-67-18.1179.9-570000113.9D282 K286 E287D282-S284 PolarHBondContact O-N 3.36Å; S284-K286 VanDerWaalsContact C-N 3.32Å; S284-E287 WeakPolarHBondContact O-CG 3.32Å
285K58.9Low59.4Low169 Ų169133 Ų13374%0.73564%0.636SS**G310 helixtrans-81.2-8.3177.9-72.7174.1-178.6143.20113.5D282 P283D282-K285 HydrophobicContact CB-CD 4.2Å; D282-K285 HydrophobicContact CB-CG 4.4Å; D282-K285 PolarHBondContact O-N 2.73Å; D282-K285 IonicContact OD2-NZ 3.46Å; D282-K285 PolarHBondContact OD2-NZ 3.42Å; P283-K285 PolarHBondContact O-N 3.44Å
286K55.8Low58.5Low97 Ų97134.8 Ų134.842%0.42264%0.639SS.*G310 helixtrans-89.7-1.8176.8-84.4-159.9-175.21610115.2Y281 P283 S284 K288 Q289Y281-K286 HydrophobicContact CE2-CD 4.41Å; Y281-K286 VanDerWaalsContact OH-CD 3.24Å; Y281-K286 WeakPolarHBondContact OH-CD 3.45Å; Y281-K286 WeakPolarHBondContact OH-CE 3.29Å; Y281-K286 PolarHBondContact OH-NZ 3.37Å; Y281-K286 VanDerWaalsContact OH-NZ 3.09Å; P283-K286 PolarHBondContact O-N 2.77Å; S284-K286 VanDerWaalsContact C-N 3.32Å; K286-K288 PolarHBondContact O-N 3.09Å; K286-Q289 PolarHBondContact O-N 3.4Å
287E50.6Low57.7Low148 Ų148133.2 Ų133.269%0.69264%0.64SS**THydrogen-bonded Turntrans-64.61.8-164.6-73.9-173.416700117.8S284S284-E287 WeakPolarHBondContact O-CG 3.32Å
288K53.3Low57.1Low192 Ų192136.4 Ų136.484%0.83565%0.652SS**THydrogen-bonded Turntrans-119.7-11.4-178.4-66.6-175.1-178.3177.30115.9K286K286-K288 PolarHBondContact O-N 3.09Å
289Q51Low57.1Low124 Ų124132.2 Ų132.258%0.57963%0.63SS**THydrogen-bonded Turntrans-94.2-28-175.6-142.1174.9-10.200113.2K286 R291 L292 F293K286-Q289 PolarHBondContact O-N 3.4Å; Q289-R291 VanDerWaalsContact C-N 3.29Å; Q289-R291 PolarHBondContact O-N 3.45Å; Q289-L292 VanDerWaalsContact O-CB 3.29Å; Q289-L292 WeakPolarHBondContact O-CB 3.46Å; Q289-L292 PolarHBondContact O-N 3.33Å; Q289-F293 HydrophobicContact CG-CD2 4.47Å; Q289-F293 HydrophobicContact CG-CE2 4.06Å; Q289-F293 PolarHBondContact O-N 3.27Å
290D54.2Low56.9Low108 Ų108135.8 Ų135.858%0.57864%0.636SS**G310 helixtrans-66.2-31.4179.2-65.3-14.8000112.3L292 F293 D294D290-L292 PolarHBondContact O-N 3.04Å; D290-F293 PolarHBondContact O-N 3.46Å; D290-D294 PolarHBondContact O-N 2.85Å
291R55.4Low56.8Low217 Ų217140.5 Ų140.582%0.81964%0.641SS**G310 helixtrans-66.7-19.4172-72.8-167.7-175.7-156.81.8113.8Q289Q289-R291 VanDerWaalsContact C-N 3.29Å; Q289-R291 PolarHBondContact O-N 3.45Å
292L55.9Low57.5Low116 Ų116139.2 Ų139.261%0.60766%0.661SS**G310 helixtrans-85.9-24.9-178.1-156.273.7000112L221 Q289 D290L221-L292 HydrophobicContact CD1-CD2 3.92Å; Q289-L292 VanDerWaalsContact O-CB 3.29Å; Q289-L292 WeakPolarHBondContact O-CB 3.46Å; Q289-L292 PolarHBondContact O-N 3.33Å; D290-L292 PolarHBondContact O-N 3.04Å
293F47.8Very low57.9Low150 Ų150140.7 Ų140.766%0.65867%0.665SS**SBendtrans-103.18.6177-66.9-73.5000113.7Q289 D290 W295Q289-F293 HydrophobicContact CG-CD2 4.47Å; Q289-F293 HydrophobicContact CG-CE2 4.06Å; Q289-F293 PolarHBondContact O-N 3.27Å; D290-F293 PolarHBondContact O-N 3.46Å; F293-W295 PolarHBondContact O-N 3.34Å
294D59.7Low58.5Low82 Ų82141.9 Ų141.944%0.43966%0.658SS.*  trans-61.189.1167.1-104.414.7000108.4D290 R296D290-D294 PolarHBondContact O-N 2.85Å; D294-R296 HydrophobicContact CB-CG 4.36Å; D294-R296 PolarHBondContact O-N 2.77Å; D294-R296 IonicContact OD2-CZ 3.82Å; D294-R296 IonicContact OD2-NE 3.63Å; D294-R296 PolarHBondContact OD2-NE 3.41Å; D294-R296 VanDerWaalsContact OD2-NE 3.14Å; D294-R296 IonicContact OD2-NH2 3.45Å; D294-R296 PolarHBondContact OD2-NH2 3.2Å
295W54.2Low59.3Low230 Ų230140.2 Ų140.287%0.87165%0.646SS**  trans-67.690.7169-171.779.7000107.5F293F293-W295 PolarHBondContact O-N 3.34Å
296R62.2Low60Low163 Ų163138.8 Ų138.862%0.61564%0.639SS**PPolyproline II helixtrans-96.2128.4169.5-64.5-179.4-175.2-160.8-1.7106D294 E298D294-R296 HydrophobicContact CB-CG 4.36Å; D294-R296 PolarHBondContact O-N 2.77Å; D294-R296 IonicContact OD2-CZ 3.82Å; D294-R296 IonicContact OD2-NE 3.63Å; D294-R296 PolarHBondContact OD2-NE 3.41Å; D294-R296 VanDerWaalsContact OD2-NE 3.14Å; D294-R296 IonicContact OD2-NH2 3.45Å; D294-R296 PolarHBondContact OD2-NH2 3.2Å; R296-E298 PolarHBondContact O-N 2.94Å; R296-E298 VanDerWaalsContact O-N 3.09Å
297P60.2Low61.2Low96 Ų96135.2 Ų135.262%0.62363%0.627SS**PPolyproline II helixtrans-47.2124.8168.9-20.327.9000108.2R299P297-R299 PolarHBondContact O-N 3.5Å
298E57.7Low62.7Low177 Ų177129 Ų12983%0.82760%0.598SS**PPolyproline II helixtrans-52.5126.1174.9-170.367.8-136.200106.7R296 L300R296-E298 PolarHBondContact O-N 2.94Å; R296-E298 VanDerWaalsContact O-N 3.09Å; E298-L300 PolarHBondContact O-N 2.79Å; E298-L300 VanDerWaalsContact O-N 3.16Å
299R61.9Low64.2Low127 Ų127121.4 Ų121.448%0.47957%0.567SS.*PPolyproline II helixtrans-57.6127.5-177.9-68.3-175.5-172.9161.52.3107.8P297 R301P297-R299 PolarHBondContact O-N 3.5Å; R299-R301 PolarHBondContact O-N 2.85Å
300L59.4Low65.7Low130 Ų130116.2 Ų116.268%0.68154%0.543SS*.PPolyproline II helixtrans-54.8128.7177.1-135.573.4000107.7E298 G302 E303E298-L300 PolarHBondContact O-N 2.79Å; E298-L300 VanDerWaalsContact O-N 3.16Å; L300-G302 PolarHBondContact O-N 3.33Å; L300-E303 HydrophobicContact CB-CG 4.02Å; L300-E303 PolarHBondContact O-N 3.2Å
301R56.1Low67.3Low263 Ų263111 Ų11199%0.99252%0.516SS*.THydrogen-bonded Turntrans-57.8105.8-178.3-83.5-154.9-95.8-142.4-3.1109.3R299R299-R301 PolarHBondContact O-N 2.85Å
302G69.4Low68.7Low80 Ų80101 Ų10183%0.82548%0.478SS*.THydrogen-bonded Turntrans126.7-14.1-177.200000114.8L300L300-G302 PolarHBondContact O-N 3.33Å
303E69.1Low70.1Confident120 Ų12096 Ų9656%0.56145%0.452SS*.PPolyproline II helixtrans-67.5134.8175.2-75.6-180175.400111.8L300L300-E303 HydrophobicContact CB-CG 4.02Å; L300-E303 PolarHBondContact O-N 3.2Å
304R75Confident71.8Confident106 Ų10691.3 Ų91.340%0.443%0.432SS..PPolyproline II helixtrans-58.8140.8173.1-62.1-111.6-64.2-117.4-7109D308 D351 R371R304-D308 HydrophobicContact CB-CB 4.29Å; R304-D308 VanDerWaalsContact CD-OD2 3.32Å; R304-D308 WeakPolarHBondContact CD-OD2 3.48Å; R304-D308 IonicContact CZ-OD2 3.75Å; R304-D308 IonicContact NE-OD2 3.3Å; R304-D308 PolarHBondContact NE-OD2 3.39Å; R304-D308 IonicContact NH2-OD2 2.56Å; R304-D351 IonicContact CZ-OD2 3.72Å; R304-D351 IonicContact NH1-OD2 3.67Å; R304-D351 PolarHBondContact NH1-OD2 3.01Å; R304-D351 IonicContact NH2-OD1 3.89Å; R304-D351 PolarHBondContact NH2-OD1 3.29Å; R304-D351 IonicContact NH2-OD2 3.59Å; R304-D351 PolarHBondContact NH2-OD2 2.86Å; R304-R371 VanDerWaalsContact NH2-CZ 3.25Å; R304-R371 VanDerWaalsContact NH2-NH2 3.13Å
305P77.1Confident72.8Confident50 Ų5090.6 Ų90.633%0.32543%0.427SS..PPolyproline II helixtrans-62.3147.7-178.427.9-35.1000110.6S307 D308P305-S307 PolarHBondContact O-N 2.95Å; P305-D308 WeakPolarHBondContact CG-OD1 3.27Å; P305-D308 VanDerWaalsContact O-CB 3.3Å; P305-D308 WeakPolarHBondContact O-CB 2.99Å; P305-D308 PolarHBondContact O-N 2.91Å
306K75Confident73.5Confident138 Ų13880.3 Ų80.360%0.639%0.392SS*.G310 helixtrans-55-22178.9-66.3-171177.2-170.30114.1D308 N309K306-D308 PolarHBondContact O-N 3.37Å; K306-N309 PolarHBondContact O-N 2.99Å
307S79.3Confident73.7Confident22 Ų2273.5 Ų73.515%0.15437%0.367CS..G310 helixtrans-61.5-28.9172.949.50000112.8P305 N309 T310P305-S307 PolarHBondContact O-N 2.95Å; S307-N309 PolarHBondContact O-N 2.85Å; S307-T310 PolarHBondContact O-N 3.25Å
308D82.7Confident73.7Confident18 Ų1871.9 Ų71.910%0.09636%0.355CS..G310 helixtrans-68.2-21.1-177.6-78.913.2000113.6R304 P305 K306 T310 P347 A350 R371R304-D308 HydrophobicContact CB-CB 4.29Å; R304-D308 VanDerWaalsContact CD-OD2 3.32Å; R304-D308 WeakPolarHBondContact CD-OD2 3.48Å; R304-D308 IonicContact CZ-OD2 3.75Å; R304-D308 IonicContact NE-OD2 3.3Å; R304-D308 PolarHBondContact NE-OD2 3.39Å; R304-D308 IonicContact NH2-OD2 2.56Å; P305-D308 WeakPolarHBondContact CG-OD1 3.27Å; P305-D308 VanDerWaalsContact O-CB 3.3Å; P305-D308 WeakPolarHBondContact O-CB 2.99Å; P305-D308 PolarHBondContact O-N 2.91Å; K306-D308 PolarHBondContact O-N 3.37Å; D308-T310 PolarHBondContact O-N 3.41Å; D308-P347 HydrophobicContact CB-CB 4.31Å; D308-A350 WeakPolarHBondContact O-CB 3.43Å; D308-R371 WeakPolarHBondContact OD1-CD 3.37Å; D308-R371 IonicContact OD1-NH1 2.98Å; D308-R371 IonicContact OD2-CZ 2.98Å; D308-R371 IonicContact OD2-NH1 3.07Å; D308-R371 PolarHBondContact OD2-NH1 3.3Å
309N83.9Confident73.7Confident33 Ų3368.3 Ų68.318%0.17634%0.341CS..G310 helixtrans-73.3-10.5173.2-73.218.5000112.3K306 S307 F344 E345 P347K306-N309 PolarHBondContact O-N 2.99Å; S307-N309 PolarHBondContact O-N 2.85Å; N309-F344 WeakPolarHBondContact CB-O 3.43Å; N309-F344 PolarHBondContact ND2-O 3.45Å; N309-F344 PolarHBondContact O-N 3.33Å; N309-E345 PolarHBondContact ND2-O 3.01Å; N309-P347 WeakPolarHBondContact OD1-CA 3.3Å; N309-P347 WeakPolarHBondContact OD1-CB 3.43Å; N309-P347 WeakPolarHBondContact OD1-CD 3.3Å
310T84.6Confident73.3Confident14 Ų1470.7 Ų70.79%0.08636%0.358CS..EExtended strand (participates in β ladder)trans-105.6123.8-176.1-50.80000111.2S307 D308 V342 W372S307-T310 PolarHBondContact O-N 3.25Å; D308-T310 PolarHBondContact O-N 3.41Å; T310-V342 CarbonylContact C-O 3.5Å; T310-V342 VanDerWaalsContact CA-O 3.28Å; T310-V342 WeakPolarHBondContact CA-O 3.09Å; T310-W372 HydrophobicContact CG2-CB 4.1Å; T310-W372 HydrophobicContact CG2-CD2 4.5Å; T310-W372 HydrophobicContact CG2-CE3 4.28Å; T310-W372 HydrophobicContact CG2-CG 4.47Å; T310-W372 WeakPolarHBondContact O-CB 3.5Å; T310-W372 PolarHBondContact O-N 2.95Å
311V85.7Confident73.2Confident0 Ų067.2 Ų67.20%034%0.338CS..EExtended strand (participates in β ladder)trans-107.1138.1175.8-178.30000109.4I313 V342 F344 A350 C353 I354 A369V311-I313 HydrophobicContact CG1-CG1 4.25Å; V311-V342 PolarHBondContact N-O 3.46Å; V311-V342 PolarHBondContact O-N 3.48Å; V311-F344 HydrophobicContact CB-CE2 4.12Å; V311-F344 HydrophobicContact CG2-CD2 4Å; V311-F344 HydrophobicContact CG2-CE2 3.67Å; V311-A350 HydrophobicContact CG2-CB 3.62Å; V311-A350 WeakPolarHBondContact CG2-O 3.41Å; V311-C353 HydrophobicContact CG2-CB 4.45Å; V311-I354 HydrophobicContact CB-CG1 4.43Å; V311-I354 HydrophobicContact CG1-CD1 4.46Å; V311-I354 HydrophobicContact CG1-CG1 3.67Å; V311-I354 HydrophobicContact CG2-CD1 4.09Å; V311-I354 HydrophobicContact CG2-CG1 3.89Å; V311-A369 HydrophobicContact CG1-CB 4.19Å
312I86.8Confident73.1Confident5 Ų556.6 Ų56.63%0.02630%0.301CS..EExtended strand (participates in β ladder)trans-112.2115.6178.2-60-164.8000109K314 V339 V340 A369 D370 W372 Y378I312-K314 HydrophobicContact CG2-CG 4.28Å; I312-V339 HydrophobicContact CG2-CG1 3.41Å; I312-V339 VanDerWaalsContact CG2-CG1 3.41Å; I312-V340 WeakPolarHBondContact CA-O 3.49Å; I312-A369 WeakPolarHBondContact O-CA 3.39Å; I312-D370 PolarHBondContact N-O 3.25Å; I312-D370 PolarHBondContact O-N 3.05Å; I312-W372 HydrophobicContact CD1-CB 3.9Å; I312-W372 HydrophobicContact CD1-CG 3.74Å; I312-W372 HydrophobicContact CG1-CB 3.98Å; I312-W372 HydrophobicContact CG1-CG 4.33Å; I312-Y378 HydrophobicContact CD1-CD2 3.55Å; I312-Y378 HydrophobicContact CD1-CE2 3.03Å; I312-Y378 HydrophobicContact CG1-CE2 4.43Å; I312-Y378 HydrophobicContact CG2-CE1 4.5Å; I312-Y378 HydrophobicContact CG2-CE2 4.36Å
313I84.7Confident72.1Confident11 Ų1157.1 Ų57.16%0.05630%0.298CS..EExtended strand (participates in β ladder)trans-102.6111.6178.1-49.8176.6000107.7V311 A316 V339 V340 V342 M357 L367 R368 A369V311-I313 HydrophobicContact CG1-CG1 4.25Å; I313-A316 HydrophobicContact CG2-CB 3.98Å; I313-V339 WeakPolarHBondContact O-CA 3.33Å; I313-V340 HydrophobicContact CB-CB 4.38Å; I313-V340 PolarHBondContact N-O 2.99Å; I313-V340 PolarHBondContact O-N 3.48Å; I313-V342 HydrophobicContact CD1-CG2 4.01Å; I313-V342 HydrophobicContact CG1-CG2 4.5Å; I313-M357 HydrophobicContact CD1-CE 3.98Å; I313-L367 HydrophobicContact CG2-CB 4.31Å; I313-L367 HydrophobicContact CG2-CD1 4.38Å; I313-L367 HydrophobicContact CG2-CD2 4.31Å; I313-R368 CarbonylContact C-O 3.47Å; I313-R368 WeakPolarHBondContact CA-O 3.48Å; I313-A369 HydrophobicContact CG1-CB 4.34Å
314K84.1Confident71Confident53 Ų5357.2 Ų57.223%0.2331%0.306CS..EExtended strand (participates in β ladder)trans-90.4151.2175.6-61.3171.8-177.5154.10109.7I312 A316 V339 R368 D370I312-K314 HydrophobicContact CG2-CG 4.28Å; K314-A316 VanDerWaalsContact C-N 3.26Å; K314-A316 PolarHBondContact O-N 3.3Å; K314-V339 HydrophobicContact CG-CG2 4.36Å; K314-R368 HydrophobicContact CB-CB 4.38Å; K314-R368 PolarHBondContact N-O 3.31Å; K314-R368 PolarHBondContact O-N 3.36Å; K314-D370 IonicContact NZ-OD2 2.87Å; K314-D370 PolarHBondContact NZ-OD2 3.43Å
315N79.1Confident69Low66 Ų6656.8 Ų56.835%0.35332%0.315SS..SBendtrans66.323.6177.6-152.420000114.3D337 G338 R365 V366 L367N315-D337 VanDerWaalsContact CA-O 3.31Å; N315-D337 WeakPolarHBondContact CA-O 3.36Å; N315-D337 PolarHBondContact N-O 2.99Å; N315-G338 PolarHBondContact N-O 3.46Å; N315-R365 WeakPolarHBondContact OD1-CD 3.47Å; N315-V366 PolarHBondContact ND2-O 2.56Å; N315-L367 WeakPolarHBondContact O-CD2 3.23Å
316A69.6Low67Low15 Ų1558.1 Ų58.112%0.12433%0.325CS..  trans-77.4-31.9-17400000114I313 K314 G338 V340 L367I313-A316 HydrophobicContact CG2-CB 3.98Å; K314-A316 VanDerWaalsContact C-N 3.26Å; K314-A316 PolarHBondContact O-N 3.3Å; A316-G338 PolarHBondContact N-O 2.95Å; A316-V340 HydrophobicContact CB-CG2 3.65Å; A316-L367 VanDerWaalsContact CA-CD2 3.48Å; A316-L367 HydrophobicContact CB-CD2 4.1Å
317F67Low65.1Low19 Ų1957.3 Ų57.38%0.08334%0.335CS..  trans-146.3151.4-176.160.1-87.3000111.8L319 L322 V331 G338 V339 V340 R365F317-L319 HydrophobicContact CE2-CD2 4.48Å; F317-L322 HydrophobicContact CD2-CB 4.41Å; F317-L322 HydrophobicContact CD2-CD1 3.41Å; F317-L322 VanDerWaalsContact CD2-CD1 3.41Å; F317-L322 HydrophobicContact CD2-CG 3.82Å; F317-L322 HydrophobicContact CE2-CD1 3.23Å; F317-L322 HydrophobicContact CE2-CG 4.09Å; F317-L322 HydrophobicContact CG-CD1 4.23Å; F317-L322 HydrophobicContact CG-CG 4.22Å; F317-L322 HydrophobicContact CZ-CD1 3.94Å; F317-V331 HydrophobicContact CD1-CG1 4.1Å; F317-V331 HydrophobicContact CE1-CG1 3.35Å; F317-V331 HydrophobicContact CE2-CG1 3.94Å; F317-V331 HydrophobicContact CZ-CG1 3.24Å; F317-G338 VanDerWaalsContact O-CA 3.31Å; F317-G338 WeakPolarHBondContact O-CA 3.33Å; F317-V339 WeakPolarHBondContact CE1-O 3.5Å; F317-V340 HydrophobicContact CD1-CG2 3.48Å; F317-V340 VanDerWaalsContact CD1-CG2 3.48Å; F317-V340 HydrophobicContact CE1-CB 4.49Å; F317-V340 HydrophobicContact CE1-CG2 3.35Å; F317-R365 PolarHBondContact O-NH1 3.31Å
318T59.9Low63.4Low62 Ų6265.3 Ų65.338%0.3837%0.368SS..  trans-89.2148.9156.323.70000106.6E320 E321 R365T318-E320 PolarHBondContact O-N 3.27Å; T318-E321 PolarHBondContact O-N 3.11Å; T318-R365 PolarHBondContact OG1-NH2 2.76Å
319L56.6Low62.1Low103 Ų10368.9 Ų68.954%0.53938%0.383SS..THydrogen-bonded Turntrans-51.6-28.4-179.3-71.4168.1000113.1F317F317-L319 HydrophobicContact CE2-CD2 4.48Å
320E54.1Low60.7Low177 Ų17771.5 Ų71.583%0.82740%0.4SS*.THydrogen-bonded Turntrans-72.2-25.8178.9-62.3179172.100114.3T318T318-E320 PolarHBondContact O-N 3.27Å
321E57Low59.6Low57 Ų5772.2 Ų72.227%0.26640%0.404SS..THydrogen-bonded Turntrans-90.9-11.1-174.7-70.3-174168.900113.7T318 A323 R363 R365T318-E321 PolarHBondContact O-N 3.11Å; E321-A323 PolarHBondContact O-N 3.3Å; E321-R363 VanDerWaalsContact CG-NH1 3.32Å; E321-R363 WeakPolarHBondContact OE1-CD 3.44Å; E321-R363 IonicContact OE1-CZ 3.5Å; E321-R363 IonicContact OE1-NE 3.27Å; E321-R363 IonicContact OE1-NH1 2.76Å; E321-R363 PolarHBondContact OE1-NH1 3.17Å; E321-R363 WeakPolarHBondContact OE2-CD 3.32Å; E321-R363 IonicContact OE2-CZ 3.77Å; E321-R363 IonicContact OE2-NE 3.88Å; E321-R363 IonicContact OE2-NH1 3.06Å; E321-R363 PolarHBondContact OE2-NH1 3.36Å; E321-R365 IonicContact OE1-NH2 3.31Å; E321-R365 IonicContact OE2-NH2 2.78Å; E321-R365 PolarHBondContact OE2-NH2 3.32Å; E321-R365 VanDerWaalsContact OE2-NH2 3.14Å
322L53.9Low58.2Low39 Ų3974.4 Ų74.420%0.20441%0.414CS..THydrogen-bonded Turntrans-72.1-15.1-174-135.2171.3000113F317 V324 V331F317-L322 HydrophobicContact CD2-CB 4.41Å; F317-L322 HydrophobicContact CD2-CD1 3.41Å; F317-L322 VanDerWaalsContact CD2-CD1 3.41Å; F317-L322 HydrophobicContact CD2-CG 3.82Å; F317-L322 HydrophobicContact CE2-CD1 3.23Å; F317-L322 HydrophobicContact CE2-CG 4.09Å; F317-L322 HydrophobicContact CG-CD1 4.23Å; F317-L322 HydrophobicContact CG-CG 4.22Å; F317-L322 HydrophobicContact CZ-CD1 3.94Å; L322-V324 VanDerWaalsContact C-N 3.34Å; L322-V324 PolarHBondContact O-N 3.49Å; L322-V331 HydrophobicContact CD1-CG1 3.6Å; L322-V331 HydrophobicContact CD2-CB 3.87Å; L322-V331 HydrophobicContact CD2-CG1 3.71Å; L322-V331 HydrophobicContact CD2-CG2 3.94Å; L322-V331 HydrophobicContact CG-CG1 3.87Å
323A49.8Very low56.6Low92 Ų9280.4 Ų80.476%0.7644%0.442SS*.THydrogen-bonded Turntrans-75.3-14.9-174.600000114.7E321E321-A323 PolarHBondContact O-N 3.3Å
324V46.1Very low55.2Low121 Ų12184.6 Ų84.673%0.73346%0.464SS*.SBendtrans-116.2-20.9-161.6-173.60000114.7L322L322-V324 VanDerWaalsContact C-N 3.34Å; L322-V324 PolarHBondContact O-N 3.49Å
325T32Very low54Low97 Ų9783.2 Ų83.260%0.59546%0.46SS*.SBendtrans-154.4106.3-17447.60000111.6
326C35.4Very low53.3Low79 Ų7989.7 Ų89.753%0.53448%0.484SS..  trans168.5104.8137.5-93.30000112.1F328 F329C326-F328 VanDerWaalsContact C-N 3.27Å; C326-F328 PolarHBondContact O-N 3.46Å; C326-F329 HydrophobicContact CB-CD2 3.76Å; C326-F329 WeakPolarHBondContact SG-CD2 3.45Å
327C35.1Very low53.1Low121 Ų12194.2 Ų94.282%0.81851%0.507SS*.SBendtrans-84.67.9177.6-480000113.8
328F43.3Very low53.4Low189 Ų18993.4 Ų93.483%0.82950%0.503SS*.SBendtrans-136.41.4-168.3-68.6-75.6000115.7C326C326-F328 VanDerWaalsContact C-N 3.27Å; C326-F328 PolarHBondContact O-N 3.46Å
329F55.1Low54.3Low94 Ų9490.6 Ų90.641%0.41249%0.486SS..  trans-124.8137.5-176.7-55-75.4000111.8C326 V331 V340 V342C326-F329 HydrophobicContact CB-CD2 3.76Å; C326-F329 WeakPolarHBondContact SG-CD2 3.45Å; F329-V331 HydrophobicContact CB-CG2 4.48Å; F329-V331 PolarHBondContact O-N 2.77Å; F329-V331 VanDerWaalsContact O-N 3.1Å; F329-V340 HydrophobicContact CB-CG1 3.99Å; F329-V342 HydrophobicContact CD1-CB 4.21Å; F329-V342 HydrophobicContact CD1-CG1 3.77Å; F329-V342 HydrophobicContact CD1-CG2 3.58Å; F329-V342 HydrophobicContact CE1-CG1 3.76Å; F329-V342 HydrophobicContact CE1-CG2 3.98Å
330T55.9Low55.4Low88 Ų8886.4 Ų86.454%0.5447%0.465SS..EExtended strand (participates in β ladder)trans-79.191.3170.338.20000108.9S341T330-S341 PolarHBondContact O-N 3.3Å; T330-S341 PolarHBondContact O-OG 3.21Å; T330-S341 PolarHBondContact OG1-O 3.47Å; T330-S341 PolarHBondContact OG1-OG 2.89Å
331V59.5Low56.7Low28 Ų2878.8 Ų78.817%0.1743%0.431CS..EExtended strand (participates in β ladder)trans-80.1127175.3-170.60000109.3F317 L322 F329 H333F317-V331 HydrophobicContact CD1-CG1 4.1Å; F317-V331 HydrophobicContact CE1-CG1 3.35Å; F317-V331 HydrophobicContact CE2-CG1 3.94Å; F317-V331 HydrophobicContact CZ-CG1 3.24Å; L322-V331 HydrophobicContact CD1-CG1 3.6Å; L322-V331 HydrophobicContact CD2-CB 3.87Å; L322-V331 HydrophobicContact CD2-CG1 3.71Å; L322-V331 HydrophobicContact CD2-CG2 3.94Å; L322-V331 HydrophobicContact CG-CG1 3.87Å; F329-V331 HydrophobicContact CB-CG2 4.48Å; F329-V331 PolarHBondContact O-N 2.77Å; F329-V331 VanDerWaalsContact O-N 3.1Å; V331-H333 PolarHBondContact O-N 3.2Å
332E58.3Low58Low47 Ų4776.6 Ų76.622%0.2242%0.422CS..  trans-82.6100.8174.9-67.3-167.8166.500109.8N334 Y378 K379E332-N334 PolarHBondContact O-N 3.13Å; E332-Y378 VanDerWaalsContact OE2-CA 3.26Å; E332-Y378 WeakPolarHBondContact OE2-CA 3.44Å; E332-Y378 WeakPolarHBondContact OE2-CB 3.37Å; E332-Y378 VanDerWaalsContact OE2-O 3.11Å; E332-K379 PolarHBondContact OE2-N 2.76Å
333H52.3Low59.4Low130 Ų13079.2 Ų79.260%0.60244%0.439SS*.THydrogen-bonded Turntrans-63.7125.9172.6-57.1-64.5000109.1V331V331-H333 PolarHBondContact O-N 3.2Å
334N54.4Low61Low99 Ų9977.1 Ų77.153%0.52941%0.413SS..THydrogen-bonded Turntrans108.31173.5-59.1-9.5000118E332 I380E332-N334 PolarHBondContact O-N 3.13Å; N334-I380 WeakPolarHBondContact O-CD1 3.42Å
335N59.9Low62.8Low25 Ų2578.9 Ų78.913%0.13441%0.413CS..  trans-90.2121.4174.2-136.6-25.4000111.8D337 G338 V339 Y378 I380N335-D337 PolarHBondContact O-N 2.81Å; N335-D337 VanDerWaalsContact O-N 3.11Å; N335-G338 PolarHBondContact O-N 3.47Å; N335-G338 VanDerWaalsContact O-N 3.13Å; N335-V339 HydrophobicContact CB-CB 4.42Å; N335-V339 HydrophobicContact CB-CG2 4.24Å; N335-Y378 PolarHBondContact ND2-O 3.09Å; N335-I380 HydrophobicContact CB-CD1 4.35Å
336K63.3Low65.2Low201 Ų20180.9 Ų80.987%0.87441%0.41SS*.THydrogen-bonded Turntrans-59.3-23.2179.8-69.1179.4-178.4173.30112.7G338K336-G338 VanDerWaalsContact C-N 3.32Å; K336-G338 PolarHBondContact O-N 3.25Å
337D67Low67.7Low111 Ų11178.9 Ų78.959%0.59440%0.396SS*.THydrogen-bonded Turntrans-86.22.3-177.7-64.7-16.1000113.8N315 N335 V339N315-D337 VanDerWaalsContact CA-O 3.31Å; N315-D337 WeakPolarHBondContact CA-O 3.36Å; N315-D337 PolarHBondContact N-O 2.99Å; N335-D337 PolarHBondContact O-N 2.81Å; N335-D337 VanDerWaalsContact O-N 3.11Å; D337-V339 HydrophobicContact CB-CG2 3.97Å
338G72.9Confident70.1Confident1 Ų179.7 Ų79.71%0.0139%0.388CS..  trans61.152.7176.500000112.6N315 A316 F317 N335 K336N315-G338 PolarHBondContact N-O 3.46Å; A316-G338 PolarHBondContact N-O 2.95Å; F317-G338 VanDerWaalsContact O-CA 3.31Å; F317-G338 WeakPolarHBondContact O-CA 3.33Å; N335-G338 PolarHBondContact O-N 3.47Å; N335-G338 VanDerWaalsContact O-N 3.13Å; K336-G338 VanDerWaalsContact C-N 3.32Å; K336-G338 PolarHBondContact O-N 3.25Å
339V79.6Confident72.1Confident4 Ų474.1 Ų74.12%0.02436%0.364CS..  trans-88.2122.2-174.2-173.40000110.6I312 I313 K314 F317 N335 D337 Y378I312-V339 HydrophobicContact CG2-CG1 3.41Å; I312-V339 VanDerWaalsContact CG2-CG1 3.41Å; I313-V339 WeakPolarHBondContact O-CA 3.33Å; K314-V339 HydrophobicContact CG-CG2 4.36Å; F317-V339 WeakPolarHBondContact CE1-O 3.5Å; N335-V339 HydrophobicContact CB-CB 4.42Å; N335-V339 HydrophobicContact CB-CG2 4.24Å; D337-V339 HydrophobicContact CB-CG2 3.97Å; V339-Y378 HydrophobicContact CG1-CD1 3.91Å; V339-Y378 HydrophobicContact CG1-CE1 4.35Å; V339-Y378 HydrophobicContact CG1-CG 4.15Å; V339-Y378 HydrophobicContact CG2-CD1 4.3Å
340V78.4Confident73.6Confident14 Ų1469.6 Ų69.69%0.08535%0.345CS..EExtended strand (participates in β ladder)trans-107.3132.7172.4-176.40000109I312 I313 A316 F317 F329 V342I312-V340 WeakPolarHBondContact CA-O 3.49Å; I313-V340 HydrophobicContact CB-CB 4.38Å; I313-V340 PolarHBondContact N-O 2.99Å; I313-V340 PolarHBondContact O-N 3.48Å; A316-V340 HydrophobicContact CB-CG2 3.65Å; F317-V340 HydrophobicContact CD1-CG2 3.48Å; F317-V340 VanDerWaalsContact CD1-CG2 3.48Å; F317-V340 HydrophobicContact CE1-CB 4.49Å; F317-V340 HydrophobicContact CE1-CG2 3.35Å; F329-V340 HydrophobicContact CB-CG1 3.99Å; V340-V342 HydrophobicContact CG1-CG2 3.93Å
341S82.6Confident75.1Confident18 Ų1867.3 Ų67.313%0.12633%0.329CS..EExtended strand (participates in β ladder)trans-97.3130167.267.90000109.5T330T330-S341 PolarHBondContact O-N 3.3Å; T330-S341 PolarHBondContact O-OG 3.21Å; T330-S341 PolarHBondContact OG1-O 3.47Å; T330-S341 PolarHBondContact OG1-OG 2.89Å
342V82.5Confident76.3Confident10 Ų1071.3 Ų71.36%0.06135%0.349CS..EExtended strand (participates in β ladder)trans-124.2117.6176.9-172.90000108.3T310 V311 I313 F329 V340 F344T310-V342 CarbonylContact C-O 3.5Å; T310-V342 VanDerWaalsContact CA-O 3.28Å; T310-V342 WeakPolarHBondContact CA-O 3.09Å; V311-V342 PolarHBondContact N-O 3.46Å; V311-V342 PolarHBondContact O-N 3.48Å; I313-V342 HydrophobicContact CD1-CG2 4.01Å; I313-V342 HydrophobicContact CG1-CG2 4.5Å; F329-V342 HydrophobicContact CD1-CB 4.21Å; F329-V342 HydrophobicContact CD1-CG1 3.77Å; F329-V342 HydrophobicContact CD1-CG2 3.58Å; F329-V342 HydrophobicContact CE1-CG1 3.76Å; F329-V342 HydrophobicContact CE1-CG2 3.98Å; V340-V342 HydrophobicContact CG1-CG2 3.93Å; V342-F344 HydrophobicContact CB-CE2 4.01Å; V342-F344 HydrophobicContact CB-CZ 4.41Å; V342-F344 HydrophobicContact CG1-CD2 4.14Å; V342-F344 HydrophobicContact CG1-CE1 4.22Å; V342-F344 HydrophobicContact CG1-CE2 3.45Å; V342-F344 VanDerWaalsContact CG1-CE2 3.45Å; V342-F344 HydrophobicContact CG1-CZ 3.49Å; V342-F344 VanDerWaalsContact CG1-CZ 3.49Å
343T83.6Confident77.5Confident94 Ų9469.8 Ų69.858%0.57734%0.344SS*.EExtended strand (participates in β ladder)trans-105.2118.9178.2-47.30000109.8
344F84.4Confident79.2Confident49 Ų4964.9 Ų64.922%0.21532%0.322CS..  trans-93.4161.2178.9-67.3-84.9000112N309 V311 V342 R346 E349 A350 C353N309-F344 WeakPolarHBondContact CB-O 3.43Å; N309-F344 PolarHBondContact ND2-O 3.45Å; N309-F344 PolarHBondContact O-N 3.33Å; V311-F344 HydrophobicContact CB-CE2 4.12Å; V311-F344 HydrophobicContact CG2-CD2 4Å; V311-F344 HydrophobicContact CG2-CE2 3.67Å; V342-F344 HydrophobicContact CB-CE2 4.01Å; V342-F344 HydrophobicContact CB-CZ 4.41Å; V342-F344 HydrophobicContact CG1-CD2 4.14Å; V342-F344 HydrophobicContact CG1-CE1 4.22Å; V342-F344 HydrophobicContact CG1-CE2 3.45Å; V342-F344 VanDerWaalsContact CG1-CE2 3.45Å; V342-F344 HydrophobicContact CG1-CZ 3.49Å; V342-F344 VanDerWaalsContact CG1-CZ 3.49Å; F344-R346 WeakPolarHBondContact CB-O 3.35Å; F344-E349 HydrophobicContact CB-CB 4.15Å; F344-E349 HydrophobicContact CD1-CB 3.7Å; F344-E349 HydrophobicContact CE1-CB 4.43Å; F344-E349 HydrophobicContact CG-CB 4.08Å; F344-A350 HydrophobicContact CB-CB 4.44Å; F344-A350 HydrophobicContact CD2-CB 3.75Å; F344-A350 HydrophobicContact CE2-CB 4.42Å; F344-A350 HydrophobicContact CG-CB 4.31Å; F344-C353 HydrophobicContact CE1-CB 4.32Å; F344-C353 HydrophobicContact CE2-CB 3.73Å; F344-C353 HydrophobicContact CZ-CB 3.45Å; F344-C353 VanDerWaalsContact CZ-CB 3.45Å; F344-C353 VanDerWaalsContact CZ-SG 3.57Å
345E83Confident80.7Confident157 Ų15765.7 Ų65.773%0.73433%0.33SS*.SBendtrans-74.2-39.6173.5-172.3174.3171.800110.7N309N309-E345 PolarHBondContact ND2-O 3.01Å
346R83.9Confident81.6Confident140 Ų14070.6 Ų70.653%0.52835%0.354SS..SBendtrans-115.8147.3-179.3-63.4-175.9-178.7127.1-0.9112.1F344 E348 E349F344-R346 WeakPolarHBondContact CB-O 3.35Å; R346-E348 PolarHBondContact O-N 3.25Å; R346-E349 HydrophobicContact CB-CG 4.21Å; R346-E349 IonicContact NH1-OE1 3.92Å; R346-E349 PolarHBondContact O-N 2.84Å
347P86.8Confident82.4Confident36 Ų3663 Ų6323%0.23432%0.322CS..Hα-helixtrans-69.4-21.9176.628.1-34.5000112.9D308 N309 A350 D351D308-P347 HydrophobicContact CB-CB 4.31Å; N309-P347 WeakPolarHBondContact OD1-CA 3.3Å; N309-P347 WeakPolarHBondContact OD1-CB 3.43Å; N309-P347 WeakPolarHBondContact OD1-CD 3.3Å; P347-A350 WeakPolarHBondContact O-CB 3.4Å; P347-A350 PolarHBondContact O-N 2.8Å; P347-D351 PolarHBondContact O-N 2.91Å
348E85.9Confident83.2Confident138 Ų13860 Ų6065%0.64531%0.306SS*.Hα-helixtrans-70.1-42176.9-64.1174.1179.500111.5R346 A350 D351 D352R346-E348 PolarHBondContact O-N 3.25Å; E348-A350 PolarHBondContact O-N 3.03Å; E348-D351 WeakPolarHBondContact O-CB 3.36Å; E348-D351 PolarHBondContact O-N 3.38Å; E348-D352 PolarHBondContact O-N 2.99Å
349E85.3Confident83.6Confident72 Ų7269.3 Ų69.334%0.33634%0.341SS..Hα-helixtrans-62.5-33.6175.3-65.4170.8-172.900111.7F344 R346 C353F344-E349 HydrophobicContact CB-CB 4.15Å; F344-E349 HydrophobicContact CD1-CB 3.7Å; F344-E349 HydrophobicContact CE1-CB 4.43Å; F344-E349 HydrophobicContact CG-CB 4.08Å; R346-E349 HydrophobicContact CB-CG 4.21Å; R346-E349 IonicContact NH1-OE1 3.92Å; R346-E349 PolarHBondContact O-N 2.84Å; E349-C353 WeakPolarHBondContact O-CB 2.92Å; E349-C353 PolarHBondContact O-N 3.5Å
350A85.6Confident83.5Confident0 Ų075.5 Ų75.50%036%0.364CS..Hα-helixtrans-65.6-38.117300000111.9D308 V311 F344 P347 E348 C353 I354D308-A350 WeakPolarHBondContact O-CB 3.43Å; V311-A350 HydrophobicContact CG2-CB 3.62Å; V311-A350 WeakPolarHBondContact CG2-O 3.41Å; F344-A350 HydrophobicContact CB-CB 4.44Å; F344-A350 HydrophobicContact CD2-CB 3.75Å; F344-A350 HydrophobicContact CE2-CB 4.42Å; F344-A350 HydrophobicContact CG-CB 4.31Å; P347-A350 WeakPolarHBondContact O-CB 3.4Å; P347-A350 PolarHBondContact O-N 2.8Å; E348-A350 PolarHBondContact O-N 3.03Å; A350-C353 PolarHBondContact O-N 2.85Å; A350-I354 VanDerWaalsContact O-CG1 3.29Å; A350-I354 WeakPolarHBondContact O-CG1 3.03Å; A350-I354 PolarHBondContact O-N 3.25Å
351D87.6Confident83.5Confident39 Ų3979.6 Ų79.621%0.20939%0.389CS..Hα-helixtrans-70-40.6178.9-67.9-14.1000111.9R304 P347 E348 C353 I354 T355 R371R304-D351 IonicContact CZ-OD2 3.72Å; R304-D351 IonicContact NH1-OD2 3.67Å; R304-D351 PolarHBondContact NH1-OD2 3.01Å; R304-D351 IonicContact NH2-OD1 3.89Å; R304-D351 PolarHBondContact NH2-OD1 3.29Å; R304-D351 IonicContact NH2-OD2 3.59Å; R304-D351 PolarHBondContact NH2-OD2 2.86Å; P347-D351 PolarHBondContact O-N 2.91Å; E348-D351 WeakPolarHBondContact O-CB 3.36Å; E348-D351 PolarHBondContact O-N 3.38Å; D351-C353 VanDerWaalsContact C-N 3.35Å; D351-I354 PolarHBondContact O-N 3.42Å; D351-T355 PolarHBondContact O-N 2.82Å; D351-T355 PolarHBondContact O-OG1 3.33Å; D351-R371 VanDerWaalsContact CG-NH2 3.29Å; D351-R371 IonicContact OD1-CZ 3.38Å; D351-R371 IonicContact OD1-NE 3.14Å; D351-R371 IonicContact OD1-NH2 3.3Å; D351-R371 PolarHBondContact OD1-NH2 2.99Å; D351-R371 IonicContact OD2-NH2 3.14Å; D351-R371 PolarHBondContact OD2-NH2 3.24Å
352D85.5Confident82.9Confident112 Ų11283.2 Ų83.260%0.59940%0.402SS*.Hα-helixtrans-63.2-42.5173.1-72-21.2000111.2E348 T355 M356E348-D352 PolarHBondContact O-N 2.99Å; D352-T355 PolarHBondContact O-N 3.03Å; D352-M356 WeakPolarHBondContact O-CB 3.31Å; D352-M356 PolarHBondContact O-N 2.93Å
353C83.6Confident82.3Confident15 Ų1589.8 Ų89.810%0.10143%0.426CS..Hα-helixtrans-60.8-46.4176.1-179.40000111.8V311 F344 E349 A350 D351 T355 M356 M357V311-C353 HydrophobicContact CG2-CB 4.45Å; F344-C353 HydrophobicContact CE1-CB 4.32Å; F344-C353 HydrophobicContact CE2-CB 3.73Å; F344-C353 HydrophobicContact CZ-CB 3.45Å; F344-C353 VanDerWaalsContact CZ-CB 3.45Å; F344-C353 VanDerWaalsContact CZ-SG 3.57Å; E349-C353 WeakPolarHBondContact O-CB 2.92Å; E349-C353 PolarHBondContact O-N 3.5Å; A350-C353 PolarHBondContact O-N 2.85Å; D351-C353 VanDerWaalsContact C-N 3.35Å; C353-T355 VanDerWaalsContact C-N 3.32Å; C353-T355 PolarHBondContact O-N 2.95Å; C353-M356 PolarHBondContact O-N 3.3Å; C353-M357 WeakPolarHBondContact O-CB 3.49Å; C353-M357 WeakPolarHBondContact O-CG 3.4Å; C353-M357 PolarHBondContact O-N 3.04Å
354I87.4Confident82Confident28 Ų2888.8 Ų88.814%0.14444%0.435CS..Hα-helixtrans-59.3-47.2176.5-69.4163.2000109.8V311 A350 D351 M356 N358 R371V311-I354 HydrophobicContact CB-CG1 4.43Å; V311-I354 HydrophobicContact CG1-CD1 4.46Å; V311-I354 HydrophobicContact CG1-CG1 3.67Å; V311-I354 HydrophobicContact CG2-CD1 4.09Å; V311-I354 HydrophobicContact CG2-CG1 3.89Å; A350-I354 VanDerWaalsContact O-CG1 3.29Å; A350-I354 WeakPolarHBondContact O-CG1 3.03Å; A350-I354 PolarHBondContact O-N 3.25Å; D351-I354 PolarHBondContact O-N 3.42Å; I354-M356 VanDerWaalsContact C-N 3.32Å; I354-M356 PolarHBondContact O-N 3.37Å; I354-N358 WeakPolarHBondContact O-CB 3.25Å; I354-N358 PolarHBondContact O-N 3.48Å; I354-R371 HydrophobicContact CD1-CB 3.82Å; I354-R371 HydrophobicContact CD1-CG 4.48Å
355T85Confident81.6Confident115 Ų11588.8 Ų88.871%0.70643%0.433SS*.Hα-helixtrans-62.9-38.7-178.5-55.10000112.1D351 D352 C353D351-T355 PolarHBondContact O-N 2.82Å; D351-T355 PolarHBondContact O-OG1 3.33Å; D352-T355 PolarHBondContact O-N 3.03Å; C353-T355 VanDerWaalsContact C-N 3.32Å; C353-T355 PolarHBondContact O-N 2.95Å
356M80.6Confident81.7Confident129 Ų12984.5 Ų84.564%0.63542%0.417SS*.Hα-helixtrans-82-32.2-177.7-176.5166.953.300113.9D352 C353 I354D352-M356 WeakPolarHBondContact O-CB 3.31Å; D352-M356 PolarHBondContact O-N 2.93Å; C353-M356 PolarHBondContact O-N 3.3Å; I354-M356 VanDerWaalsContact C-N 3.32Å; I354-M356 PolarHBondContact O-N 3.37Å
357M78.4Confident81.8Confident41 Ų4178 Ų7820%0.20239%0.393CS..Hα-helixtrans-98.2-24.6-173.8-65.1-68.5-83.600113.2I313 C353 W359 R360 L367 A369I313-M357 HydrophobicContact CD1-CE 3.98Å; C353-M357 WeakPolarHBondContact O-CB 3.49Å; C353-M357 WeakPolarHBondContact O-CG 3.4Å; C353-M357 PolarHBondContact O-N 3.04Å; M357-W359 PolarHBondContact O-N 2.82Å; M357-R360 WeakPolarHBondContact O-CB 3.34Å; M357-R360 PolarHBondContact O-N 2.84Å; M357-L367 HydrophobicContact CE-CD1 3.83Å; M357-A369 HydrophobicContact CB-CB 4.07Å
358N83.9Confident81.8Confident49 Ų4982.6 Ų82.626%0.26241%0.406SS..THydrogen-bonded Turntrans-65.2129.3176.7-163.120.1000109.7I354 R360 A369I354-N358 WeakPolarHBondContact O-CB 3.25Å; I354-N358 PolarHBondContact O-N 3.48Å; N358-R360 PolarHBondContact O-N 2.97Å; N358-A369 HydrophobicContact CB-CB 4.22Å
359W81.8Confident81.9Confident195 Ų19576.1 Ų76.174%0.73938%0.376SS*.THydrogen-bonded Turntrans69.27.5-175.4-53.1101.8000116.4M357 V366 L367M357-W359 PolarHBondContact O-N 2.82Å; W359-V366 HydrophobicContact CE3-CG1 3.67Å; W359-V366 HydrophobicContact CZ3-CG1 4.24Å; W359-L367 WeakPolarHBondContact CA-O 3.3Å; W359-L367 PolarHBondContact N-O 3.11Å
360R77.3Confident82Confident135 Ų13574.5 Ų74.551%0.50937%0.369SS..  trans-72.2134.4176.5-168170.7-176.3-177.22.7110.6M357 N358 F362 L367M357-R360 WeakPolarHBondContact O-CB 3.34Å; M357-R360 PolarHBondContact O-N 2.84Å; N358-R360 PolarHBondContact O-N 2.97Å; R360-F362 PolarHBondContact O-N 3.48Å; R360-L367 HydrophobicContact CB-CD1 4.42Å; R360-L367 WeakPolarHBondContact O-CB 3.45Å; R360-L367 WeakPolarHBondContact O-CG 3.46Å; R360-L367 PolarHBondContact O-N 3.21Å
361V79.8Confident82.1Confident99 Ų9979 Ų7960%0.639%0.387SS*.EExtended strand (participates in β ladder)trans-83.3117.7173.8-178.30000109.6R365 V366V361-R365 CarbonylContact C-O 3.48Å; V361-R365 VanDerWaalsContact CA-O 3.28Å; V361-R365 WeakPolarHBondContact CA-O 3.39Å; V361-V366 HydrophobicContact CG2-CG2 4.3Å
362F69.6Low82Confident94 Ų9480.8 Ų80.841%0.41239%0.39SS..EExtended strand (participates in β ladder)trans-122.3117.4175.6-170.9-102.8000109.1R360 G364 R365 L367R360-F362 PolarHBondContact O-N 3.48Å; F362-G364 VanDerWaalsContact C-N 3.27Å; F362-G364 PolarHBondContact O-N 3.38Å; F362-R365 PolarHBondContact N-O 3.28Å; F362-R365 WeakPolarHBondContact O-CB 3.47Å; F362-R365 PolarHBondContact O-N 3.03Å; F362-L367 HydrophobicContact CB-CD1 3.81Å; F362-L367 HydrophobicContact CB-CD2 3.93Å; F362-L367 HydrophobicContact CB-CG 3.8Å; F362-L367 HydrophobicContact CG-CD1 4.47Å
363R68.6Low81.7Confident149 Ų14980 Ų8056%0.56239%0.386SS*.THydrogen-bonded Turntrans49.943.6-179.4-65.3-175.1154.7166.2-6.4114.1E321 R365E321-R363 VanDerWaalsContact CG-NH1 3.32Å; E321-R363 WeakPolarHBondContact OE1-CD 3.44Å; E321-R363 IonicContact OE1-CZ 3.5Å; E321-R363 IonicContact OE1-NE 3.27Å; E321-R363 IonicContact OE1-NH1 2.76Å; E321-R363 PolarHBondContact OE1-NH1 3.17Å; E321-R363 WeakPolarHBondContact OE2-CD 3.32Å; E321-R363 IonicContact OE2-CZ 3.77Å; E321-R363 IonicContact OE2-NE 3.88Å; E321-R363 IonicContact OE2-NH1 3.06Å; E321-R363 PolarHBondContact OE2-NH1 3.36Å; R363-R365 PolarHBondContact O-N 2.86Å
364G77.1Confident81.3Confident73 Ų7381.1 Ų81.175%0.75340%0.4SS*.THydrogen-bonded Turntrans781.1179.900000115.1F362F362-G364 VanDerWaalsContact C-N 3.27Å; F362-G364 PolarHBondContact O-N 3.38Å
365R77Confident80.6Confident48 Ų4884.2 Ų84.218%0.18142%0.424CS..EExtended strand (participates in β ladder)trans-107.6143.4176-69.4176.6-84.4-173.9-10.5110.5N315 F317 T318 E321 V361 F362 R363N315-R365 WeakPolarHBondContact OD1-CD 3.47Å; F317-R365 PolarHBondContact O-NH1 3.31Å; T318-R365 PolarHBondContact OG1-NH2 2.76Å; E321-R365 IonicContact OE1-NH2 3.31Å; E321-R365 IonicContact OE2-NH2 2.78Å; E321-R365 PolarHBondContact OE2-NH2 3.32Å; E321-R365 VanDerWaalsContact OE2-NH2 3.14Å; V361-R365 CarbonylContact C-O 3.48Å; V361-R365 VanDerWaalsContact CA-O 3.28Å; V361-R365 WeakPolarHBondContact CA-O 3.39Å; F362-R365 PolarHBondContact N-O 3.28Å; F362-R365 WeakPolarHBondContact O-CB 3.47Å; F362-R365 PolarHBondContact O-N 3.03Å; R363-R365 PolarHBondContact O-N 2.86Å
366V84.9Confident80Confident67 Ų6781.1 Ų81.141%0.40641%0.405SS..EExtended strand (participates in β ladder)trans-85.5120.1172.3-1780000107.9N315 W359 V361N315-V366 PolarHBondContact ND2-O 2.56Å; W359-V366 HydrophobicContact CE3-CG1 3.67Å; W359-V366 HydrophobicContact CZ3-CG1 4.24Å; V361-V366 HydrophobicContact CG2-CG2 4.3Å
367L85.1Confident79.4Confident4 Ų483.6 Ų83.62%0.02141%0.412CS..  trans-73.6140.7174.1-61.4-175.3000110I313 N315 A316 M357 W359 R360 F362I313-L367 HydrophobicContact CG2-CB 4.31Å; I313-L367 HydrophobicContact CG2-CD1 4.38Å; I313-L367 HydrophobicContact CG2-CD2 4.31Å; N315-L367 WeakPolarHBondContact O-CD2 3.23Å; A316-L367 VanDerWaalsContact CA-CD2 3.48Å; A316-L367 HydrophobicContact CB-CD2 4.1Å; M357-L367 HydrophobicContact CE-CD1 3.83Å; W359-L367 WeakPolarHBondContact CA-O 3.3Å; W359-L367 PolarHBondContact N-O 3.11Å; R360-L367 HydrophobicContact CB-CD1 4.42Å; R360-L367 WeakPolarHBondContact O-CB 3.45Å; R360-L367 WeakPolarHBondContact O-CG 3.46Å; R360-L367 PolarHBondContact O-N 3.21Å; F362-L367 HydrophobicContact CB-CD1 3.81Å; F362-L367 HydrophobicContact CB-CD2 3.93Å; F362-L367 HydrophobicContact CB-CG 3.8Å; F362-L367 HydrophobicContact CG-CD1 4.47Å
368R87Confident78.7Confident133 Ų13384.1 Ų84.150%0.50241%0.412SS..EExtended strand (participates in β ladder)trans-118.7114.3169.8-177.2178175.4-156-5.7109I313 K314 D370I313-R368 CarbonylContact C-O 3.47Å; I313-R368 WeakPolarHBondContact CA-O 3.48Å; K314-R368 HydrophobicContact CB-CB 4.38Å; K314-R368 PolarHBondContact N-O 3.31Å; K314-R368 PolarHBondContact O-N 3.36Å; R368-D370 IonicContact CZ-OD1 3.43Å; R368-D370 IonicContact CZ-OD2 2.77Å; R368-D370 IonicContact NE-OD1 3.37Å; R368-D370 PolarHBondContact NE-OD1 3.28Å; R368-D370 IonicContact NE-OD2 2.77Å; R368-D370 PolarHBondContact NE-OD2 3.16Å; R368-D370 IonicContact NH1-OD2 2.98Å; R368-D370 IonicContact NH2-OD1 3.81Å; R368-D370 PolarHBondContact NH2-OD1 3.2Å; R368-D370 IonicContact NH2-OD2 3.81Å; R368-D370 PolarHBondContact NH2-OD2 3.35Å; R368-D370 VanDerWaalsContact NH2-OD2 3.11Å
369A88.1Confident77.6Confident1 Ų189.5 Ų89.51%0.00843%0.433CS..EExtended strand (participates in β ladder)trans-104.4118.317600000109V311 I312 I313 M357 N358V311-A369 HydrophobicContact CG1-CB 4.19Å; I312-A369 WeakPolarHBondContact O-CA 3.39Å; I313-A369 HydrophobicContact CG1-CB 4.34Å; M357-A369 HydrophobicContact CB-CB 4.07Å; N358-A369 HydrophobicContact CB-CB 4.22Å
370D87.2Confident76.7Confident39 Ų3984.3 Ų84.321%0.20942%0.419CS..EExtended strand (participates in β ladder)trans-121.2151.1175-57.8-52.4000109.1I312 K314 R368I312-D370 PolarHBondContact N-O 3.25Å; I312-D370 PolarHBondContact O-N 3.05Å; K314-D370 IonicContact NZ-OD2 2.87Å; K314-D370 PolarHBondContact NZ-OD2 3.43Å; R368-D370 IonicContact CZ-OD1 3.43Å; R368-D370 IonicContact CZ-OD2 2.77Å; R368-D370 IonicContact NE-OD1 3.37Å; R368-D370 PolarHBondContact NE-OD1 3.28Å; R368-D370 IonicContact NE-OD2 2.77Å; R368-D370 PolarHBondContact NE-OD2 3.16Å; R368-D370 IonicContact NH1-OD2 2.98Å; R368-D370 IonicContact NH2-OD1 3.81Å; R368-D370 PolarHBondContact NH2-OD1 3.2Å; R368-D370 IonicContact NH2-OD2 3.81Å; R368-D370 PolarHBondContact NH2-OD2 3.35Å; R368-D370 VanDerWaalsContact NH2-OD2 3.11Å
371R88.4Confident75.7Confident95 Ų9585.5 Ų85.536%0.35843%0.43SS..EExtended strand (participates in β ladder)trans-70.3142170.8-167.8179.9-67.8174.113110.5R304 D308 D351 I354R304-R371 VanDerWaalsContact NH2-CZ 3.25Å; R304-R371 VanDerWaalsContact NH2-NH2 3.13Å; D308-R371 WeakPolarHBondContact OD1-CD 3.37Å; D308-R371 IonicContact OD1-NH1 2.98Å; D308-R371 IonicContact OD2-CZ 2.98Å; D308-R371 IonicContact OD2-NH1 3.07Å; D308-R371 PolarHBondContact OD2-NH1 3.3Å; D351-R371 VanDerWaalsContact CG-NH2 3.29Å; D351-R371 IonicContact OD1-CZ 3.38Å; D351-R371 IonicContact OD1-NE 3.14Å; D351-R371 IonicContact OD1-NH2 3.3Å; D351-R371 PolarHBondContact OD1-NH2 2.99Å; D351-R371 IonicContact OD2-NH2 3.14Å; D351-R371 PolarHBondContact OD2-NH2 3.24Å; I354-R371 HydrophobicContact CD1-CB 3.82Å; I354-R371 HydrophobicContact CD1-CG 4.48Å
372W86.1Confident74.7Confident76 Ų7685.1 Ų85.129%0.28842%0.422SS..  trans-72.8136.1176.3-172.142.8000112.1T310 I312 G374 T376T310-W372 HydrophobicContact CG2-CB 4.1Å; T310-W372 HydrophobicContact CG2-CD2 4.5Å; T310-W372 HydrophobicContact CG2-CE3 4.28Å; T310-W372 HydrophobicContact CG2-CG 4.47Å; T310-W372 WeakPolarHBondContact O-CB 3.5Å; T310-W372 PolarHBondContact O-N 2.95Å; I312-W372 HydrophobicContact CD1-CB 3.9Å; I312-W372 HydrophobicContact CD1-CG 3.74Å; I312-W372 HydrophobicContact CG1-CB 3.98Å; I312-W372 HydrophobicContact CG1-CG 4.33Å; W372-G374 VanDerWaalsContact C-N 3.3Å; W372-G374 VanDerWaalsContact CZ2-C 3.47Å; W372-G374 PolarHBondContact O-N 3.02Å; W372-T376 VanDerWaalsContact CD1-OG1 3.26Å; W372-T376 PolarHBondContact NE1-O 2.96Å; W372-T376 PolarHBondContact NE1-OG1 2.7Å
373D78.7Confident74.8Confident96 Ų9684.5 Ų84.551%0.51343%0.426SS..  trans-82.2-4.3-179.268.9-11.5000113.9S375 T376D373-S375 PolarHBondContact O-N 2.95Å; D373-S375 PolarHBondContact OD1-N 3.42Å; D373-T376 WeakPolarHBondContact OD1-CB 3.47Å; D373-T376 PolarHBondContact OD1-N 2.95Å; D373-T376 PolarHBondContact OD1-OG1 2.99Å; D373-T376 WeakPolarHBondContact OD2-CG2 3.47Å
374G76.2Confident75.1Confident37 Ų3784.7 Ų84.738%0.38143%0.434SS..SBendtrans79.4-1.7-179.100000115.2W372W372-G374 VanDerWaalsContact C-N 3.3Å; W372-G374 VanDerWaalsContact CZ2-C 3.47Å; W372-G374 PolarHBondContact O-N 3.02Å
375S71.5Confident75Confident94 Ų9487.7 Ų87.766%0.65743%0.428SS*.  trans-126.6-33.9-173.4-169.80000112.9D373 K377D373-S375 PolarHBondContact O-N 2.95Å; D373-S375 PolarHBondContact OD1-N 3.42Å; S375-K377 PolarHBondContact O-N 2.9Å; S375-K377 VanDerWaalsContact O-N 3.13Å
376T72.7Confident74.9Confident50 Ų5089.9 Ų89.931%0.30744%0.44SS..  trans-65.9113.8178.944.70000110.8W372 D373 Y378W372-T376 VanDerWaalsContact CD1-OG1 3.26Å; W372-T376 PolarHBondContact NE1-O 2.96Å; W372-T376 PolarHBondContact NE1-OG1 2.7Å; D373-T376 WeakPolarHBondContact OD1-CB 3.47Å; D373-T376 PolarHBondContact OD1-N 2.95Å; D373-T376 PolarHBondContact OD1-OG1 2.99Å; D373-T376 WeakPolarHBondContact OD2-CG2 3.47Å; T376-Y378 VanDerWaalsContact CB-CE2 3.48Å; T376-Y378 WeakPolarHBondContact OG1-CE2 3.1Å
377K67.4Low74.4Confident181 Ų18188 Ų8879%0.78743%0.431SS*.  trans-89.9110.8171.3-64.6178.9-177.1174.70107.8S375 K379S375-K377 PolarHBondContact O-N 2.9Å; S375-K377 VanDerWaalsContact O-N 3.13Å; K377-K379 VanDerWaalsContact C-N 3.34Å
378Y64.4Low74.2Confident51 Ų5193.5 Ų93.520%0.246%0.457CS..  trans-88.4-10.6175-66.2-91.9000112I312 E332 N335 V339 T376 I380I312-Y378 HydrophobicContact CD1-CD2 3.55Å; I312-Y378 HydrophobicContact CD1-CE2 3.03Å; I312-Y378 HydrophobicContact CG1-CE2 4.43Å; I312-Y378 HydrophobicContact CG2-CE1 4.5Å; I312-Y378 HydrophobicContact CG2-CE2 4.36Å; E332-Y378 VanDerWaalsContact OE2-CA 3.26Å; E332-Y378 WeakPolarHBondContact OE2-CA 3.44Å; E332-Y378 WeakPolarHBondContact OE2-CB 3.37Å; E332-Y378 VanDerWaalsContact OE2-O 3.11Å; N335-Y378 PolarHBondContact ND2-O 3.09Å; V339-Y378 HydrophobicContact CG1-CD1 3.91Å; V339-Y378 HydrophobicContact CG1-CE1 4.35Å; V339-Y378 HydrophobicContact CG1-CG 4.15Å; V339-Y378 HydrophobicContact CG2-CD1 4.3Å; T376-Y378 VanDerWaalsContact CB-CE2 3.48Å; T376-Y378 WeakPolarHBondContact OG1-CE2 3.1Å; Y378-I380 PolarHBondContact O-N 2.87Å
379K61.2Low73.9Confident163 Ų16393.5 Ų93.571%0.70946%0.463SS*.  trans-64.797.4165.6-168.1170.5-171.9172.90110.5E332 K377 Q381E332-K379 PolarHBondContact OE2-N 2.76Å; K377-K379 VanDerWaalsContact C-N 3.34Å; K379-Q381 PolarHBondContact O-N 3.03Å
380I61.9Low73.7Confident86 Ų86100 Ų10044%0.44149%0.487SS..  trans-64.1114.2168.1-61.6163.1000107N334 N335 Y378N334-I380 WeakPolarHBondContact O-CD1 3.42Å; N335-I380 HydrophobicContact CB-CD1 4.35Å; Y378-I380 PolarHBondContact O-N 2.87Å
381Q55.9Low73.4Confident159 Ų159102.6 Ų102.674%0.74350%0.5SS*.PPolyproline II helixtrans-75.1131.3166.9-68.9-177.2-21.200107.2K379 T383K379-Q381 PolarHBondContact O-N 3.03Å; Q381-T383 PolarHBondContact O-N 2.86Å
382E60.3Low73.2Confident91 Ų91100.6 Ų100.643%0.42550%0.504SS..PPolyproline II helixtrans-49.5125.9172.6-69.7-178.2165.500108.5E386 R390E382-E386 HydrophobicContact CB-CB 4.42Å; E382-R390 IonicContact OE1-NE 2.99Å; E382-R390 IonicContact OE2-CZ 2.97Å; E382-R390 IonicContact OE2-NE 2.67Å; E382-R390 PolarHBondContact OE2-NE 3.42Å; E382-R390 IonicContact OE2-NH2 2.73Å
383T72.2Confident73.2Confident81 Ų81103.8 Ų103.850%0.49752%0.522SS..PPolyproline II helixtrans-61150.6174.5-48.80000108.1Q381 E385 E386 A387Q381-T383 PolarHBondContact O-N 2.86Å; T383-E385 PolarHBondContact O-N 2.83Å; T383-E386 PolarHBondContact N-OE2 3.21Å; T383-E386 VanDerWaalsContact N-OE2 3.07Å; T383-E386 WeakPolarHBondContact O-CA 3.3Å; T383-E386 WeakPolarHBondContact O-CB 3.38Å; T383-E386 PolarHBondContact O-N 2.91Å; T383-A387 PolarHBondContact O-N 2.85Å
384E73.7Confident73.1Confident154 Ų154105.9 Ų105.972%0.7252%0.523SS*.Hα-helixtrans-54.8-32.6-179.1-163.4167-168.400112.3A387 Q388E384-A387 PolarHBondContact O-N 2.91Å; E384-Q388 WeakPolarHBondContact O-CB 3.29Å; E384-Q388 VanDerWaalsContact O-CG 3.25Å; E384-Q388 WeakPolarHBondContact O-CG 3.37Å; E384-Q388 PolarHBondContact O-N 2.87Å
385E75Confident73.4Confident135 Ų135109.9 Ų109.963%0.63153%0.532SS*.Hα-helixtrans-66-42.4172.3-62.5-177.8179.600113.4T383 Q388 Q389T383-E385 PolarHBondContact O-N 2.83Å; E385-Q388 PolarHBondContact O-N 2.88Å; E385-Q389 WeakPolarHBondContact O-CB 3.36Å; E385-Q389 VanDerWaalsContact O-CG 3.3Å; E385-Q389 WeakPolarHBondContact O-CG 3.49Å; E385-Q389 PolarHBondContact O-N 3.45Å
386E75.5Confident73.8Confident95 Ų95108.7 Ų108.744%0.44452%0.523SS..Hα-helixtrans-68.7-38.6176.3-68175.115000110.6E382 T383 Q388 Q389 R390E382-E386 HydrophobicContact CB-CB 4.42Å; T383-E386 PolarHBondContact N-OE2 3.21Å; T383-E386 VanDerWaalsContact N-OE2 3.07Å; T383-E386 WeakPolarHBondContact O-CA 3.3Å; T383-E386 WeakPolarHBondContact O-CB 3.38Å; T383-E386 PolarHBondContact O-N 2.91Å; E386-Q388 VanDerWaalsContact C-N 3.33Å; E386-Q388 PolarHBondContact O-N 2.95Å; E386-Q389 PolarHBondContact O-N 2.82Å; E386-R390 WeakPolarHBondContact O-CB 3.39Å; E386-R390 PolarHBondContact O-N 2.79Å
387A73.9Confident74.3Confident26 Ų26112.2 Ų112.222%0.21553%0.534CS..Hα-helixtrans-62.5-40.817300000111.3T383 E384 R390 L391T383-A387 PolarHBondContact O-N 2.85Å; E384-A387 PolarHBondContact O-N 2.91Å; A387-R390 PolarHBondContact O-N 2.79Å; A387-L391 WeakPolarHBondContact O-CB 3.44Å; A387-L391 WeakPolarHBondContact O-CG 3.36Å; A387-L391 PolarHBondContact O-N 3.11Å
388Q80.1Confident74.9Confident121 Ų121108.8 Ų108.857%0.56552%0.524SS*.Hα-helixtrans-66.3-42.1173.2-76.1175.617.800112.1E384 E385 E386 R390 L391 A392E384-Q388 WeakPolarHBondContact O-CB 3.29Å; E384-Q388 VanDerWaalsContact O-CG 3.25Å; E384-Q388 WeakPolarHBondContact O-CG 3.37Å; E384-Q388 PolarHBondContact O-N 2.87Å; E385-Q388 PolarHBondContact O-N 2.88Å; E386-Q388 VanDerWaalsContact C-N 3.33Å; E386-Q388 PolarHBondContact O-N 2.95Å; Q388-R390 VanDerWaalsContact C-N 3.34Å; Q388-R390 PolarHBondContact O-N 2.87Å; Q388-L391 PolarHBondContact O-N 3.01Å; Q388-A392 VanDerWaalsContact O-CB 3.29Å; Q388-A392 WeakPolarHBondContact O-CB 3.39Å; Q388-A392 PolarHBondContact O-N 3.37Å
389Q82.6Confident75.4Confident132 Ų132112.5 Ų112.562%0.61755%0.547SS*.Hα-helixtrans-64.1-39.5175.5-74.4175.921.400111.6E385 E386 A392 H393E385-Q389 WeakPolarHBondContact O-CB 3.36Å; E385-Q389 VanDerWaalsContact O-CG 3.3Å; E385-Q389 WeakPolarHBondContact O-CG 3.49Å; E385-Q389 PolarHBondContact O-N 3.45Å; E386-Q389 PolarHBondContact O-N 2.82Å; Q389-A392 PolarHBondContact O-N 2.79Å; Q389-H393 VanDerWaalsContact O-CB 3.23Å; Q389-H393 WeakPolarHBondContact O-CB 3.42Å; Q389-H393 PolarHBondContact O-N 3.29Å
390R83.6Confident75.5Confident139 Ų139111.9 Ų111.953%0.52554%0.544SS..Hα-helixtrans-64.7-43.4174.1-170.5177.166.975.64111.1E382 E386 A387 Q388 W394E382-R390 IonicContact OE1-NE 2.99Å; E382-R390 IonicContact OE2-CZ 2.97Å; E382-R390 IonicContact OE2-NE 2.67Å; E382-R390 PolarHBondContact OE2-NE 3.42Å; E382-R390 IonicContact OE2-NH2 2.73Å; E386-R390 WeakPolarHBondContact O-CB 3.39Å; E386-R390 PolarHBondContact O-N 2.79Å; A387-R390 PolarHBondContact O-N 2.79Å; Q388-R390 VanDerWaalsContact C-N 3.34Å; Q388-R390 PolarHBondContact O-N 2.87Å; R390-W394 VanDerWaalsContact O-CB 3.27Å; R390-W394 WeakPolarHBondContact O-CB 3.37Å; R390-W394 PolarHBondContact O-N 2.91Å
391L80.1Confident75.4Confident93 Ų93112.5 Ų112.549%0.48755%0.554SS.*Hα-helixtrans-62.5-43.4173.7-82161.9000111.9A387 Q388 W394 Q395A387-L391 WeakPolarHBondContact O-CB 3.44Å; A387-L391 WeakPolarHBondContact O-CG 3.36Å; A387-L391 PolarHBondContact O-N 3.11Å; Q388-L391 PolarHBondContact O-N 3.01Å; L391-W394 PolarHBondContact O-N 3.02Å; L391-Q395 WeakPolarHBondContact O-CB 3.1Å; L391-Q395 WeakPolarHBondContact O-CG 3.43Å; L391-Q395 PolarHBondContact O-N 3.47Å
392A85.3Confident75.5Confident52 Ų52114.2 Ų114.243%0.4356%0.562SS.*Hα-helixtrans-68.3-41178.400000112Q388 Q389 W394 Q395 S396Q388-A392 VanDerWaalsContact O-CB 3.29Å; Q388-A392 WeakPolarHBondContact O-CB 3.39Å; Q388-A392 PolarHBondContact O-N 3.37Å; Q389-A392 PolarHBondContact O-N 2.79Å; A392-W394 VanDerWaalsContact C-N 3.32Å; A392-Q395 PolarHBondContact O-N 3.48Å; A392-S396 WeakPolarHBondContact O-CB 3.17Å; A392-S396 PolarHBondContact O-N 2.94Å
393H85Confident75Confident144 Ų144115.5 Ų115.567%0.66758%0.577SS**Hα-helixtrans-62.3-42173.1-174.673.5000111Q389 S396 F397Q389-H393 VanDerWaalsContact O-CB 3.23Å; Q389-H393 WeakPolarHBondContact O-CB 3.42Å; Q389-H393 PolarHBondContact O-N 3.29Å; H393-S396 PolarHBondContact O-N 3.42Å; H393-F397 PolarHBondContact O-N 2.9Å
394W77.5Confident73.8Confident139 Ų139116.4 Ų116.453%0.52759%0.586SS.*Hα-helixtrans-66.1-41.9175.3-176.1-109.6000112.6R390 L391 A392 S396 F397 L398R390-W394 VanDerWaalsContact O-CB 3.27Å; R390-W394 WeakPolarHBondContact O-CB 3.37Å; R390-W394 PolarHBondContact O-N 2.91Å; L391-W394 PolarHBondContact O-N 3.02Å; A392-W394 VanDerWaalsContact C-N 3.32Å; W394-S396 VanDerWaalsContact C-N 3.34Å; W394-S396 PolarHBondContact O-N 3.37Å; W394-F397 HydrophobicContact CE3-CB 4.49Å; W394-F397 HydrophobicContact CE3-CD1 4.1Å; W394-F397 HydrophobicContact CH2-CD1 4.17Å; W394-F397 HydrophobicContact CH2-CE1 4.33Å; W394-F397 AromaticContact CZ3-CD1 3.72Å; W394-F397 HydrophobicContact CZ3-CD1 3.72Å; W394-F397 HydrophobicContact CZ3-CE1 4.08Å; W394-F397 HydrophobicContact CZ3-CG 4.48Å; W394-F397 WeakPolarHBondContact O-CB 3.39Å; W394-F397 PolarHBondContact O-N 3.23Å; W394-F397 VanDerWaalsContact O-N 3.11Å; W394-L398 HydrophobicContact CZ2-CD2 4.15Å; W394-L398 HydrophobicContact CZ2-CG 4.47Å; W394-L398 WeakPolarHBondContact O-CG 3.49Å; W394-L398 PolarHBondContact O-N 3.35Å
395Q81.2Confident72.5Confident122 Ų122116.9 Ų116.957%0.5759%0.594SS**Hα-helixtrans-59.6-45.4172.6-78.4179.8-900111L391 A392 F397 L398 D399L391-Q395 WeakPolarHBondContact O-CB 3.1Å; L391-Q395 WeakPolarHBondContact O-CG 3.43Å; L391-Q395 PolarHBondContact O-N 3.47Å; A392-Q395 PolarHBondContact O-N 3.48Å; Q395-F397 PolarHBondContact O-N 3.13Å; Q395-L398 PolarHBondContact O-N 3.14Å; Q395-L398 VanDerWaalsContact O-N 3.16Å; Q395-D399 WeakPolarHBondContact O-CB 3.38Å; Q395-D399 PolarHBondContact O-N 2.79Å
396S81.2Confident71Confident68 Ų68115.3 Ų115.348%0.47660%0.597SS.*Hα-helixtrans-64.3-26.9175.1176.90000113.4A392 H393 W394A392-S396 WeakPolarHBondContact O-CB 3.17Å; A392-S396 PolarHBondContact O-N 2.94Å; H393-S396 PolarHBondContact O-N 3.42Å; W394-S396 VanDerWaalsContact C-N 3.34Å; W394-S396 PolarHBondContact O-N 3.37Å
397F81.9Confident69.4Low125 Ų125120.9 Ų120.955%0.54864%0.638SS.*Hα-helixtrans-73.5-40.6173.3-178.1-96.4000111.6H393 W394 Q395H393-F397 PolarHBondContact O-N 2.9Å; W394-F397 HydrophobicContact CE3-CB 4.49Å; W394-F397 HydrophobicContact CE3-CD1 4.1Å; W394-F397 HydrophobicContact CH2-CD1 4.17Å; W394-F397 HydrophobicContact CH2-CE1 4.33Å; W394-F397 AromaticContact CZ3-CD1 3.72Å; W394-F397 HydrophobicContact CZ3-CD1 3.72Å; W394-F397 HydrophobicContact CZ3-CE1 4.08Å; W394-F397 HydrophobicContact CZ3-CG 4.48Å; W394-F397 WeakPolarHBondContact O-CB 3.39Å; W394-F397 PolarHBondContact O-N 3.23Å; W394-F397 VanDerWaalsContact O-N 3.11Å; Q395-F397 PolarHBondContact O-N 3.13Å
398L81.1Confident69.2Low108 Ų108125.6 Ų125.657%0.56566%0.659SS**Hα-helixtrans-70.1-33.8176-70.1-179.8000113.1W394 Q395 K400W394-L398 HydrophobicContact CZ2-CD2 4.15Å; W394-L398 HydrophobicContact CZ2-CG 4.47Å; W394-L398 WeakPolarHBondContact O-CG 3.49Å; W394-L398 PolarHBondContact O-N 3.35Å; Q395-L398 PolarHBondContact O-N 3.14Å; Q395-L398 VanDerWaalsContact O-N 3.16Å; L398-K400 VanDerWaalsContact C-N 3.3Å; L398-K400 PolarHBondContact O-N 3.14Å
399D75Confident68.6Low130 Ų130125.8 Ų125.870%0.69566%0.664SS**THydrogen-bonded Turntrans-79.2-8.6-178.6-77.6-17.7000113.7Q395 P401Q395-D399 WeakPolarHBondContact O-CB 3.38Å; Q395-D399 PolarHBondContact O-N 2.79Å; D399-P401 WeakPolarHBondContact O-CD 3.38Å; D399-P401 VanDerWaalsContact O-N 3.13Å
400K63.5Low67.8Low149 Ų149125.5 Ų125.565%0.64867%0.667SS**SBendtrans-69110.2172.5-84.1178.2-178176.10108.3L398 E402L398-K400 VanDerWaalsContact C-N 3.3Å; L398-K400 PolarHBondContact O-N 3.14Å; K400-E402 PolarHBondContact O-N 2.72Å
401P58.6Low66.9Low100 Ų100124.7 Ų124.765%0.64968%0.675SS**  trans-60.3137.5169.227.9-32.8000107.2D399 T403D399-P401 WeakPolarHBondContact O-CD 3.38Å; D399-P401 VanDerWaalsContact O-N 3.13Å; P401-T403 PolarHBondContact O-N 3.41Å
402E57.6Low66.1Low195 Ų195126.7 Ų126.791%0.91169%0.687SS**  trans-56.991.3165.4-67.6-167161.700107.8K400 S404K400-E402 PolarHBondContact O-N 2.72Å; E402-S404 PolarHBondContact O-N 2.69Å
403T51.3Low64.8Low118 Ų118131.7 Ų131.772%0.72470%0.704SS**  trans-71.393.2166.1420000106.1P401 D405P401-T403 PolarHBondContact O-N 3.41Å; T403-D405 PolarHBondContact O-N 3.22Å
404S46.3Very low63.3Low100 Ų100130.8 Ų130.870%0.69971%0.707SS**  trans-47.3103162.554.60000110.2E402 S406E402-S404 PolarHBondContact O-N 2.69Å; S404-S406 VanDerWaalsContact C-N 3.32Å; S404-S406 PolarHBondContact O-N 3.46Å
405D47.1Very low62.3Low163 Ų163130.2 Ų130.287%0.87272%0.721SS**  trans-84.788.2155.4-84.7-21.4000107.3T403T403-D405 PolarHBondContact O-N 3.22Å
406S42.3Very low60.7Low102 Ų102130.8 Ų130.871%0.71373%0.733SS**  trans-78.1108.5154.253.60000108.1S404S404-S406 VanDerWaalsContact C-N 3.32Å; S404-S406 PolarHBondContact O-N 3.46Å
407T42.3Very low58.8Low212 Ų212136.5 Ų136.5100%1.30176%0.757SS**  trans-152.30147.7-66.40000108.8

Retrieved 407 of 407 residues in 105.9 ms (Link to these results)

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