A0A060W4C7_ONCMY Loading...

Glutaredoxin-1

Has a glutathione-disulfide oxidoreductase activity in the presence of NADPH and glutathione reductase. Reduces low molecular weight disulfides and proteins.

AlphaFold DB (A0A4W5MVB8), UniProt , Accession A0A060W4C7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene glrx, Length 106 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
1M84.4Confident94.5Very high162 Ų16272.5 Ų72.580%0.79835%0.349SS*.  0169.70-71.5177.4-78.500110.1Q3 E4 F5M1-Q3 VanDerWaalsContact C-N 3.27Å; M1-Q3 PolarHBondContact O-N 3.33Å; M1-E4 PolarHBondContact N-OE2 3.44Å; M1-E4 PolarHBondContact O-N 3.04Å; M1-F5 PolarHBondContact O-N 2.84Å
2A91.1Very high94.6Very high9 Ų970.1 Ų70.17%0.07436%0.357CS..Hα-helixtrans-60.1-36.1-178.400000113.1F5 V6 L57A2-F5 PolarHBondContact O-N 3.2Å; A2-V6 PolarHBondContact O-N 2.98Å; A2-L57 HydrophobicContact CB-CB 4.19Å
3Q94Very high94.8Very high82 Ų8269 Ų6938%0.38335%0.352SS..Hα-helixtrans-62-59175.3-50.7-179.3-5500111M1 F5 V6 E7 Y60M1-Q3 VanDerWaalsContact C-N 3.27Å; M1-Q3 PolarHBondContact O-N 3.33Å; Q3-F5 PolarHBondContact O-N 3.24Å; Q3-F5 VanDerWaalsContact O-N 3.15Å; Q3-V6 PolarHBondContact O-N 2.89Å; Q3-E7 WeakPolarHBondContact O-CG 3.32Å; Q3-E7 PolarHBondContact O-N 3.4Å; Q3-Y60 HydrophobicContact CB-CD2 4.03Å; Q3-Y60 HydrophobicContact CB-CE1 4.34Å; Q3-Y60 HydrophobicContact CB-CE2 3.76Å; Q3-Y60 HydrophobicContact CB-CG 4.35Å; Q3-Y60 HydrophobicContact CG-CD2 3.46Å; Q3-Y60 VanDerWaalsContact CG-CD2 3.46Å; Q3-Y60 HydrophobicContact CG-CE2 3.64Å; Q3-Y60 HydrophobicContact CG-CG 3.9Å
4E95.4Very high94.9Very high109 Ų10964.8 Ų64.851%0.50933%0.33SS..Hα-helixtrans-52.8-37.7175.8-177.9-172.7-168.500112.7M1 V6 E7 T8M1-E4 PolarHBondContact N-OE2 3.44Å; M1-E4 PolarHBondContact O-N 3.04Å; E4-V6 VanDerWaalsContact C-N 3.34Å; E4-V6 PolarHBondContact O-N 2.99Å; E4-E7 PolarHBondContact O-N 3.14Å; E4-T8 HydrophobicContact CG-CG2 4.19Å; E4-T8 WeakPolarHBondContact O-CB 3.48Å; E4-T8 WeakPolarHBondContact O-CG2 3.32Å; E4-T8 PolarHBondContact O-N 3.33Å; E4-T8 PolarHBondContact O-OG1 3Å
5F96.2Very high95.2Very high40 Ų4060.5 Ų60.518%0.17531%0.308CS..Hα-helixtrans-62.1-40.1175.4167.6-103.2000112.6M1 A2 Q3 T8 K9 F18 I46 I48 R51 L57M1-F5 PolarHBondContact O-N 2.84Å; A2-F5 PolarHBondContact O-N 3.2Å; Q3-F5 PolarHBondContact O-N 3.24Å; Q3-F5 VanDerWaalsContact O-N 3.15Å; F5-T8 PolarHBondContact O-OG1 2.96Å; F5-K9 WeakPolarHBondContact O-CG 3.49Å; F5-F18 HydrophobicContact CD1-CE1 4.4Å; F5-F18 HydrophobicContact CE1-CD1 4.1Å; F5-F18 AromaticContact CE1-CE1 3.71Å; F5-F18 HydrophobicContact CE1-CE1 3.71Å; F5-F18 HydrophobicContact CZ-CE1 4.2Å; F5-I46 HydrophobicContact CE1-CG2 4.34Å; F5-I46 HydrophobicContact CZ-CG2 3.63Å; F5-I48 HydrophobicContact CE1-CG2 4.21Å; F5-R51 VanDerWaalsContact CE1-NH1 3.3Å; F5-L57 HydrophobicContact CD1-CD1 4.08Å; F5-L57 HydrophobicContact CE1-CD1 4.47Å; F5-L57 HydrophobicContact CE1-CD2 4.38Å
6V96.6Very high95.4Very high0 Ų056.7 Ų56.70%029%0.289CS..Hα-helixtrans-73.3-48177.41720000110.1A2 Q3 E4 T8 K9 L10 F18 L57 Y60 F61 I64A2-V6 PolarHBondContact O-N 2.98Å; Q3-V6 PolarHBondContact O-N 2.89Å; E4-V6 VanDerWaalsContact C-N 3.34Å; E4-V6 PolarHBondContact O-N 2.99Å; V6-T8 PolarHBondContact O-N 3.1Å; V6-K9 WeakPolarHBondContact O-CA 3.42Å; V6-K9 WeakPolarHBondContact O-CB 3.49Å; V6-K9 PolarHBondContact O-N 3.32Å; V6-L10 HydrophobicContact CG1-CD1 4.38Å; V6-L10 PolarHBondContact O-N 3.25Å; V6-F18 HydrophobicContact CB-CZ 4.07Å; V6-F18 HydrophobicContact CG1-CE2 3.88Å; V6-F18 HydrophobicContact CG1-CZ 3.78Å; V6-F18 HydrophobicContact CG2-CE1 4.18Å; V6-F18 HydrophobicContact CG2-CE2 4.5Å; V6-F18 HydrophobicContact CG2-CZ 3.99Å; V6-L57 HydrophobicContact CG2-CD1 3.37Å; V6-Y60 HydrophobicContact CB-CD1 4.04Å; V6-Y60 HydrophobicContact CB-CE1 3.65Å; V6-Y60 HydrophobicContact CG1-CD1 4.39Å; V6-Y60 HydrophobicContact CG1-CE1 3.81Å; V6-Y60 HydrophobicContact CG2-CD1 3.93Å; V6-Y60 HydrophobicContact CG2-CE1 4.08Å; V6-F61 HydrophobicContact CG1-CE1 4.4Å; V6-F61 HydrophobicContact CG2-CD1 4.41Å; V6-F61 HydrophobicContact CG2-CE1 3.68Å; V6-F61 HydrophobicContact CG2-CZ 4.28Å; V6-I64 HydrophobicContact CG1-CD1 4.02Å
7E95.7Very high95.6Very high109 Ų10953.4 Ų53.451%0.50927%0.272SS..Hα-helixtrans-61.9-42.8-175.7-67.9172.6-177.500112.4Q3 E4 K9 L10 Y60Q3-E7 WeakPolarHBondContact O-CG 3.32Å; Q3-E7 PolarHBondContact O-N 3.4Å; E4-E7 PolarHBondContact O-N 3.14Å; E7-K9 PolarHBondContact O-N 3.24Å; E7-L10 PolarHBondContact O-N 3.5Å; E7-L10 VanDerWaalsContact O-N 3.07Å; E7-Y60 VanDerWaalsContact CG-OH 3.31Å; E7-Y60 WeakPolarHBondContact CG-OH 3.04Å; E7-Y60 PolarHBondContact OE1-OH 3.06Å
8T96.4Very high95.7Very high97 Ų9750.4 Ų50.460%0.59526%0.257SS*.THydrogen-bonded Turntrans-63.2-14.9176.354.50000113.7E4 F5 V6E4-T8 HydrophobicContact CG-CG2 4.19Å; E4-T8 WeakPolarHBondContact O-CB 3.48Å; E4-T8 WeakPolarHBondContact O-CG2 3.32Å; E4-T8 PolarHBondContact O-N 3.33Å; E4-T8 PolarHBondContact O-OG1 3Å; F5-T8 PolarHBondContact O-OG1 2.96Å; V6-T8 PolarHBondContact O-N 3.1Å
9K96.7Very high95.9Very high60 Ų6047.8 Ų47.826%0.26124%0.244SC..THydrogen-bonded Turntrans-96.2-18.2178.2-64.5-65-168171.60112.9F5 V6 E7 K14 T16 F18 E44 I46F5-K9 WeakPolarHBondContact O-CG 3.49Å; V6-K9 WeakPolarHBondContact O-CA 3.42Å; V6-K9 WeakPolarHBondContact O-CB 3.49Å; V6-K9 PolarHBondContact O-N 3.32Å; E7-K9 PolarHBondContact O-N 3.24Å; K9-K14 WeakPolarHBondContact O-CE 3.22Å; K9-K14 PolarHBondContact O-NZ 3.3Å; K9-T16 HydrophobicContact CB-CG2 4.31Å; K9-T16 PolarHBondContact O-OG1 3.16Å; K9-F18 HydrophobicContact CB-CE1 4.46Å; K9-F18 HydrophobicContact CB-CZ 4.05Å; K9-E44 IonicContact NZ-OE1 2.93Å; K9-E44 PolarHBondContact NZ-OE1 2.91Å; K9-I46 HydrophobicContact CB-CD1 3.53Å; K9-I46 HydrophobicContact CD-CD1 3.65Å; K9-I46 HydrophobicContact CG-CD1 3.53Å
10L96.6Very high95.9Very high28 Ų2848 Ų4815%0.14724%0.243CC..  trans-82.2142.3176.3-55.2-175.2000110.3V6 E7 T16 F18 F74 E77V6-L10 HydrophobicContact CG1-CD1 4.38Å; V6-L10 PolarHBondContact O-N 3.25Å; E7-L10 PolarHBondContact O-N 3.5Å; E7-L10 VanDerWaalsContact O-N 3.07Å; L10-T16 HydrophobicContact CD2-CG2 4.24Å; L10-F18 HydrophobicContact CD2-CE2 4.34Å; L10-F74 HydrophobicContact CD1-CD1 3.79Å; L10-F74 HydrophobicContact CD1-CE1 3.9Å; L10-F74 HydrophobicContact CD1-CG 4.36Å; L10-F74 HydrophobicContact CD2-CB 3.7Å; L10-F74 HydrophobicContact CD2-CD1 3.86Å; L10-F74 HydrophobicContact CD2-CD2 3.92Å; L10-F74 HydrophobicContact CD2-CE1 4.46Å; L10-F74 HydrophobicContact CD2-CG 3.55Å; L10-E77 HydrophobicContact CB-CG 4.37Å
11R96Very high95.8Very high102 Ų10249.2 Ų49.239%0.38525%0.254SS..  trans-146.9139.8169-56.3-168.3-25.4-143.85.7108.4D13 K14 G76R11-D13 WeakPolarHBondContact CB-OD1 3.25Å; R11-D13 IonicContact CZ-OD1 2.92Å; R11-D13 IonicContact CZ-OD2 2.73Å; R11-D13 IonicContact NE-OD1 2.87Å; R11-D13 PolarHBondContact NE-OD1 3.38Å; R11-D13 VanDerWaalsContact NH2-CG 3.26Å; R11-D13 IonicContact NH2-OD1 3.82Å; R11-D13 PolarHBondContact NH2-OD1 2.9Å; R11-D13 IonicContact NH2-OD2 3.11Å; R11-D13 PolarHBondContact NH2-OD2 2.88Å; R11-D13 PolarHBondContact O-N 3.49Å; R11-K14 HydrophobicContact CB-CB 3.98Å; R11-K14 PolarHBondContact O-N 2.89Å; R11-G76 CarbonylContact O-C 3.6Å; R11-G76 VanDerWaalsContact O-CA 3.3Å; R11-G76 WeakPolarHBondContact O-CA 3.3Å
12G96.1Very high96.2Very high43 Ų4346.8 Ų46.844%0.44325%0.253SS..THydrogen-bonded Turntrans-55.9-22.8-177.200000115.9I102G12-I102 WeakPolarHBondContact O-CB 3.13Å
13D96.6Very high96.4Very high56 Ų5647.2 Ų47.230%0.29926%0.255SS..THydrogen-bonded Turntrans-99.95.6179.669.9-25.1000114R11 H42R11-D13 WeakPolarHBondContact CB-OD1 3.25Å; R11-D13 IonicContact CZ-OD1 2.92Å; R11-D13 IonicContact CZ-OD2 2.73Å; R11-D13 IonicContact NE-OD1 2.87Å; R11-D13 PolarHBondContact NE-OD1 3.38Å; R11-D13 VanDerWaalsContact NH2-CG 3.26Å; R11-D13 IonicContact NH2-OD1 3.82Å; R11-D13 PolarHBondContact NH2-OD1 2.9Å; R11-D13 IonicContact NH2-OD2 3.11Å; R11-D13 PolarHBondContact NH2-OD2 2.88Å; R11-D13 PolarHBondContact O-N 3.49Å; D13-H42 PolarHBondContact O-ND1 3.2Å; D13-H42 IonicContact OD2-CE1 3.93Å; D13-H42 PolarHBondContact OD2-CE1 3.43Å; D13-H42 IonicContact OD2-ND1 2.68Å; D13-H42 IonicContact OD2-NE2 3.72Å
14K97.3Very high96.6Very high10 Ų1047.7 Ų47.74%0.04327%0.266CS..  trans-126144.6-167.3-174.2175.865.41670112.4K9 R11 T16 G41 E44 G76K9-K14 WeakPolarHBondContact O-CE 3.22Å; K9-K14 PolarHBondContact O-NZ 3.3Å; R11-K14 HydrophobicContact CB-CB 3.98Å; R11-K14 PolarHBondContact O-N 2.89Å; K14-T16 WeakPolarHBondContact CE-OG1 3.48Å; K14-G41 WeakPolarHBondContact CD-O 3.49Å; K14-E44 HydrophobicContact CD-CB 4.26Å; K14-E44 IonicContact NZ-OE2 2.71Å; K14-E44 PolarHBondContact NZ-OE2 3.15Å; K14-G76 WeakPolarHBondContact O-CA 3.49Å; K14-G76 PolarHBondContact O-N 2.93Å
15V98.4Very high96.7Very high0 Ų048.9 Ų48.90%027%0.266CS..EExtended strand (participates in β ladder)trans-92.6128.2165.7179.40000110I17 L33 F38 H42 L43 E44 V73 F74 I75 L99 I102V15-I17 HydrophobicContact CG1-CD1 4.48Å; V15-I17 HydrophobicContact CG1-CG1 4.45Å; V15-L33 HydrophobicContact CG1-CD1 4.13Å; V15-L33 HydrophobicContact CG1-CD2 4.28Å; V15-F38 HydrophobicContact CB-CE1 4.04Å; V15-F38 HydrophobicContact CB-CZ 4.39Å; V15-F38 HydrophobicContact CG2-CE1 3.59Å; V15-F38 HydrophobicContact CG2-CZ 4.02Å; V15-H42 PolarHBondContact N-O 3.05Å; V15-L43 HydrophobicContact CB-CD1 3.86Å; V15-L43 HydrophobicContact CG1-CD1 3.75Å; V15-L43 CarbonylContact O-C 3.56Å; V15-L43 WeakPolarHBondContact O-CA 3.42Å; V15-E44 PolarHBondContact O-N 3.04Å; V15-V73 HydrophobicContact CG1-CG1 4.4Å; V15-F74 CarbonylContact C-O 3.52Å; V15-F74 VanDerWaalsContact CA-O 3.28Å; V15-F74 WeakPolarHBondContact CA-O 3.31Å; V15-F74 WeakPolarHBondContact CG1-O 3.4Å; V15-I75 HydrophobicContact CG2-CG1 4.26Å; V15-I75 HydrophobicContact CG2-CG2 4.37Å; V15-L99 HydrophobicContact CG2-CD2 3.33Å; V15-I102 HydrophobicContact CG2-CD1 4.12Å
16T98.6Very high96.8Very high0 Ų047 Ų470%026%0.258CS..EExtended strand (participates in β ladder)trans-126.6128.8-177.6-550000110.4K9 L10 K14 F18 I46 F74K9-T16 HydrophobicContact CB-CG2 4.31Å; K9-T16 PolarHBondContact O-OG1 3.16Å; L10-T16 HydrophobicContact CD2-CG2 4.24Å; K14-T16 WeakPolarHBondContact CE-OG1 3.48Å; T16-F18 HydrophobicContact CG2-CE2 3.97Å; T16-F18 HydrophobicContact CG2-CZ 4.1Å; T16-I46 HydrophobicContact CG2-CD1 3.48Å; T16-I46 VanDerWaalsContact CG2-CD1 3.48Å; T16-I46 HydrophobicContact CG2-CG1 4.23Å; T16-F74 PolarHBondContact N-O 2.9Å; T16-F74 PolarHBondContact O-N 3.48Å
17I98.4Very high96.8Very high0 Ų050 Ų500%028%0.276CS..EExtended strand (participates in β ladder)trans-124117.5-179.9-55.9139000109.7V15 L19 L33 L43 E44 F45 I46 P71 R72 V73V15-I17 HydrophobicContact CG1-CD1 4.48Å; V15-I17 HydrophobicContact CG1-CG1 4.45Å; I17-L19 HydrophobicContact CB-CD2 4.43Å; I17-L19 HydrophobicContact CG2-CB 4.24Å; I17-L19 HydrophobicContact CG2-CD2 3.91Å; I17-L33 HydrophobicContact CD1-CD1 3.26Å; I17-L33 HydrophobicContact CG1-CD1 3.81Å; I17-L43 HydrophobicContact CD1-CD1 3.91Å; I17-E44 PolarHBondContact N-O 3.45Å; I17-F45 HydrophobicContact CB-CD1 4.23Å; I17-F45 HydrophobicContact CD1-CD1 3.43Å; I17-F45 VanDerWaalsContact CD1-CD1 3.43Å; I17-F45 HydrophobicContact CD1-CE1 3.19Å; I17-F45 HydrophobicContact CD1-CZ 4.15Å; I17-F45 HydrophobicContact CG1-CD1 4.49Å; I17-I46 PolarHBondContact O-N 3.09Å; I17-P71 HydrophobicContact CG2-CB 4.18Å; I17-R72 WeakPolarHBondContact CA-O 3.35Å; I17-V73 HydrophobicContact CB-CG2 4.46Å; I17-V73 HydrophobicContact CG1-CB 4.36Å; I17-V73 HydrophobicContact CG1-CG1 3.86Å; I17-V73 HydrophobicContact CG1-CG2 3.98Å; I17-V73 HydrophobicContact CG2-CG2 3.99Å
18F98.5Very high96.9Very high0 Ų047.2 Ų47.20%027%0.267CS..EExtended strand (participates in β ladder)trans-87.2125.7168.3-59.9-86.8000109.5F5 V6 K9 L10 T16 I46 I48 F61 P71 R72 F74F5-F18 HydrophobicContact CD1-CE1 4.4Å; F5-F18 HydrophobicContact CE1-CD1 4.1Å; F5-F18 AromaticContact CE1-CE1 3.71Å; F5-F18 HydrophobicContact CE1-CE1 3.71Å; F5-F18 HydrophobicContact CZ-CE1 4.2Å; V6-F18 HydrophobicContact CB-CZ 4.07Å; V6-F18 HydrophobicContact CG1-CE2 3.88Å; V6-F18 HydrophobicContact CG1-CZ 3.78Å; V6-F18 HydrophobicContact CG2-CE1 4.18Å; V6-F18 HydrophobicContact CG2-CE2 4.5Å; V6-F18 HydrophobicContact CG2-CZ 3.99Å; K9-F18 HydrophobicContact CB-CE1 4.46Å; K9-F18 HydrophobicContact CB-CZ 4.05Å; L10-F18 HydrophobicContact CD2-CE2 4.34Å; T16-F18 HydrophobicContact CG2-CE2 3.97Å; T16-F18 HydrophobicContact CG2-CZ 4.1Å; F18-I46 WeakPolarHBondContact CA-O 3.29Å; F18-I46 HydrophobicContact CD1-CB 3.87Å; F18-I46 HydrophobicContact CD1-CD1 4.18Å; F18-I46 HydrophobicContact CD1-CG2 3.74Å; F18-I46 HydrophobicContact CE1-CB 4.2Å; F18-I46 HydrophobicContact CE1-CD1 3.66Å; F18-I46 HydrophobicContact CE1-CG2 3.94Å; F18-I46 HydrophobicContact CZ-CD1 4.02Å; F18-I48 HydrophobicContact CB-CG2 4.29Å; F18-I48 HydrophobicContact CD1-CG2 3.89Å; F18-F61 HydrophobicContact CB-CE1 4.3Å; F18-F61 HydrophobicContact CB-CE2 4.25Å; F18-F61 HydrophobicContact CB-CZ 3.56Å; F18-F61 HydrophobicContact CD1-CE1 4.44Å; F18-F61 AromaticContact CD1-CZ 3.94Å; F18-F61 HydrophobicContact CD1-CZ 3.94Å; F18-F61 AromaticContact CD2-CE1 3.78Å; F18-F61 HydrophobicContact CD2-CE1 3.78Å; F18-F61 AromaticContact CD2-CZ 3.88Å; F18-F61 HydrophobicContact CD2-CZ 3.88Å; F18-F61 HydrophobicContact CE2-CE1 4.19Å; F18-F61 AromaticContact CG-CE1 3.92Å; F18-F61 HydrophobicContact CG-CE1 3.92Å; F18-F61 AromaticContact CG-CZ 3.52Å; F18-F61 HydrophobicContact CG-CZ 3.52Å; F18-P71 VanDerWaalsContact O-CA 3.25Å; F18-P71 WeakPolarHBondContact O-CA 3.49Å; F18-R72 HydrophobicContact CB-CB 4.44Å; F18-R72 HydrophobicContact CD2-CB 4.44Å; F18-R72 PolarHBondContact N-O 2.99Å; F18-R72 PolarHBondContact O-N 3.4Å; F18-R72 VanDerWaalsContact O-N 3.08Å; F18-F74 HydrophobicContact CD2-CD2 4.06Å; F18-F74 AromaticContact CD2-CE2 3.83Å; F18-F74 HydrophobicContact CD2-CE2 3.83Å; F18-F74 AromaticContact CE2-CD2 3.92Å; F18-F74 HydrophobicContact CE2-CD2 3.92Å; F18-F74 AromaticContact CE2-CE2 3.77Å; F18-F74 HydrophobicContact CE2-CE2 3.77Å
19L98.1Very high96.9Very high2 Ų242.6 Ų42.61%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-146.2166.9-169.263.291.6000114I17 P21 C26 K30 F45 I46 D47 I48I17-L19 HydrophobicContact CB-CD2 4.43Å; I17-L19 HydrophobicContact CG2-CB 4.24Å; I17-L19 HydrophobicContact CG2-CD2 3.91Å; L19-P21 HydrophobicContact CD1-CG 4.46Å; L19-C26 HydrophobicContact CB-CB 3.82Å; L19-C26 VanDerWaalsContact CB-SG 3.54Å; L19-K30 HydrophobicContact CD2-CD 4.38Å; L19-K30 HydrophobicContact CD2-CG 4.41Å; L19-F45 HydrophobicContact CD2-CB 3.87Å; L19-F45 HydrophobicContact CD2-CD1 3.78Å; L19-F45 HydrophobicContact CD2-CG 4.28Å; L19-I46 PolarHBondContact N-O 2.97Å; L19-D47 HydrophobicContact CD1-CB 4.49Å; L19-D47 WeakPolarHBondContact O-CA 3.33Å; L19-I48 WeakPolarHBondContact O-CG1 3.43Å; L19-I48 PolarHBondContact O-N 3.41Å
20K97.6Very high97Very high51 Ų5143 Ų4322%0.22224%0.24CC..  trans-123.7130.1164.7-66.1176-175.61770108.1S22 C23 I48 M54 V70K20-S22 PolarHBondContact O-N 3.11Å; K20-S22 VanDerWaalsContact O-N 3.13Å; K20-C23 HydrophobicContact CB-CB 4.4Å; K20-C23 WeakPolarHBondContact O-CB 3.46Å; K20-C23 PolarHBondContact O-N 2.56Å; K20-I48 HydrophobicContact CG-CG1 4.09Å; K20-M54 PolarHBondContact NZ-SD 3Å; K20-V70 HydrophobicContact CB-CG2 4.13Å; K20-V70 HydrophobicContact CD-CG2 3.92Å; K20-V70 HydrophobicContact CG-CG1 4.5Å; K20-V70 HydrophobicContact CG-CG2 3.91Å
21P92.8Very high97Very high74 Ų7447.2 Ų47.248%0.48126%0.259SS..THydrogen-bonded Turntrans-57.5-29.3-176-27.734.7000114.6L19 C23 D47 T49L19-P21 HydrophobicContact CD1-CG 4.46Å; P21-C23 VanDerWaalsContact C-N 3.3Å; P21-C23 PolarHBondContact O-N 2.71Å; P21-D47 WeakPolarHBondContact CD-OD1 3.14Å; P21-D47 VanDerWaalsContact CD-OD2 3.29Å; P21-D47 WeakPolarHBondContact CD-OD2 3.27Å; P21-D47 WeakPolarHBondContact CG-OD2 3.5Å; P21-T49 WeakPolarHBondContact CD-OG1 3.4Å
22S93.2Very high97.1Very high110 Ų11042.8 Ų42.877%0.76924%0.243SC*.THydrogen-bonded Turntrans-79.3-5.4178.956.50000114.7K20K20-S22 PolarHBondContact O-N 3.11Å; K20-S22 VanDerWaalsContact O-N 3.13Å
23C95.7Very high97.2Very high19 Ų1940.7 Ų40.713%0.12822%0.222CC..  trans-88.6122.2-176.3174.90000111.1K20 P21 Y25 C26 V27 V70K20-C23 HydrophobicContact CB-CB 4.4Å; K20-C23 WeakPolarHBondContact O-CB 3.46Å; K20-C23 PolarHBondContact O-N 2.56Å; P21-C23 VanDerWaalsContact C-N 3.3Å; P21-C23 PolarHBondContact O-N 2.71Å; C23-Y25 PolarHBondContact O-N 3.38Å; C23-C26 HydrophobicContact CB-CB 3.93Å; C23-C26 WeakPolarHBondContact CB-SG 3.39Å; C23-C26 VanDerWaalsContact O-CB 3.32Å; C23-C26 WeakPolarHBondContact O-CB 3.45Å; C23-C26 PolarHBondContact O-N 2.95Å; C23-C26 VanDerWaalsContact O-N 3.08Å; C23-V27 PolarHBondContact O-N 3.22Å; C23-V70 HydrophobicContact CB-CG2 4.33Å
24P96.9Very high97.2Very high92 Ų9242.3 Ų42.360%0.59723%0.234SC*.Hα-helixtrans-62.3-40-178.523.5-33000112.7C26 V27 T28P24-C26 PolarHBondContact O-N 3.36Å; P24-V27 WeakPolarHBondContact O-CA 3.32Å; P24-V27 WeakPolarHBondContact O-CB 3.48Å; P24-V27 PolarHBondContact O-N 3.31Å; P24-T28 PolarHBondContact O-N 3.35Å; P24-T28 VanDerWaalsContact O-N 3.09Å; P24-T28 PolarHBondContact O-OG1 3.41Å
25Y97.8Very high97.2Very high133 Ų13348.3 Ų48.352%0.52226%0.26SS..Hα-helixtrans-64.9-27.8176.3-62.6-76.4000113.2C23 V27 A29 G83C23-Y25 PolarHBondContact O-N 3.38Å; Y25-V27 VanDerWaalsContact C-N 3.33Å; Y25-A29 PolarHBondContact O-N 2.92Å; Y25-A29 VanDerWaalsContact O-N 3.12Å; Y25-G83 WeakPolarHBondContact O-CA 3.05Å
26C97.9Very high97.2Very high2 Ų250.3 Ų50.31%0.01427%0.268CS..Hα-helixtrans-69.2-34.6172.8-66.70000111.4L19 C23 P24 K30 P71L19-C26 HydrophobicContact CB-CB 3.82Å; L19-C26 VanDerWaalsContact CB-SG 3.54Å; C23-C26 HydrophobicContact CB-CB 3.93Å; C23-C26 WeakPolarHBondContact CB-SG 3.39Å; C23-C26 VanDerWaalsContact O-CB 3.32Å; C23-C26 WeakPolarHBondContact O-CB 3.45Å; C23-C26 PolarHBondContact O-N 2.95Å; C23-C26 VanDerWaalsContact O-N 3.08Å; P24-C26 PolarHBondContact O-N 3.36Å; C26-K30 WeakPolarHBondContact O-CG 3.38Å; C26-K30 PolarHBondContact O-N 3.34Å; C26-K30 VanDerWaalsContact O-N 3.09Å; C26-P71 HydrophobicContact CB-CB 4.47Å
27V97.3Very high97.1Very high62 Ų6257.8 Ų57.838%0.37630%0.301SS..Hα-helixtrans-65.3-46.8174.4179.60000109.8C23 P24 Y25 A29 K30 E31C23-V27 PolarHBondContact O-N 3.22Å; P24-V27 WeakPolarHBondContact O-CA 3.32Å; P24-V27 WeakPolarHBondContact O-CB 3.48Å; P24-V27 PolarHBondContact O-N 3.31Å; Y25-V27 VanDerWaalsContact C-N 3.33Å; V27-A29 PolarHBondContact O-N 3.01Å; V27-K30 WeakPolarHBondContact O-CB 3.43Å; V27-K30 PolarHBondContact O-N 2.79Å; V27-K30 VanDerWaalsContact O-N 3.12Å; V27-E31 HydrophobicContact CG1-CG 4.24Å; V27-E31 WeakPolarHBondContact O-CG 3.37Å; V27-E31 PolarHBondContact O-N 2.9Å
28T97.4Very high97.1Very high50 Ų5059 Ų5931%0.30731%0.306SS..Hα-helixtrans-55.3-49.1176.1-52.10000112.3P24 K30 E31 V32 A87P24-T28 PolarHBondContact O-N 3.35Å; P24-T28 VanDerWaalsContact O-N 3.09Å; P24-T28 PolarHBondContact O-OG1 3.41Å; T28-K30 VanDerWaalsContact C-N 3.32Å; T28-K30 PolarHBondContact O-N 2.73Å; T28-E31 PolarHBondContact O-N 2.9Å; T28-V32 WeakPolarHBondContact O-CG2 3.31Å; T28-V32 PolarHBondContact O-N 3.42Å; T28-A87 HydrophobicContact CG2-CB 4.18Å
29A97.9Very high97Very high0 Ų063 Ų630%032%0.323CS..Hα-helixtrans-60.1-41.8177.800000112.3Y25 V27 L33 P71 V73Y25-A29 PolarHBondContact O-N 2.92Å; Y25-A29 VanDerWaalsContact O-N 3.12Å; V27-A29 PolarHBondContact O-N 3.01Å; A29-L33 WeakPolarHBondContact O-CB 3.23Å; A29-L33 WeakPolarHBondContact O-CD1 3.44Å; A29-L33 WeakPolarHBondContact O-CG 3.36Å; A29-L33 PolarHBondContact O-N 3.41Å; A29-L33 VanDerWaalsContact O-N 3.07Å; A29-P71 HydrophobicContact CB-CG 4.32Å; A29-V73 HydrophobicContact CB-CG2 4.28Å
30K97.3Very high97Very high68 Ų6867.8 Ų67.830%0.29636%0.363SS..Hα-helixtrans-60.3-52.4175.5-79180176.9-170.70111.1L19 C26 V27 T28 V32 L33 T34 F45L19-K30 HydrophobicContact CD2-CD 4.38Å; L19-K30 HydrophobicContact CD2-CG 4.41Å; C26-K30 WeakPolarHBondContact O-CG 3.38Å; C26-K30 PolarHBondContact O-N 3.34Å; C26-K30 VanDerWaalsContact O-N 3.09Å; V27-K30 WeakPolarHBondContact O-CB 3.43Å; V27-K30 PolarHBondContact O-N 2.79Å; V27-K30 VanDerWaalsContact O-N 3.12Å; T28-K30 VanDerWaalsContact C-N 3.32Å; T28-K30 PolarHBondContact O-N 2.73Å; K30-V32 VanDerWaalsContact C-N 3.35Å; K30-V32 PolarHBondContact O-N 3.07Å; K30-L33 PolarHBondContact O-N 3.38Å; K30-T34 WeakPolarHBondContact O-CB 3.37Å; K30-T34 VanDerWaalsContact O-CG2 3.24Å; K30-T34 WeakPolarHBondContact O-CG2 3.41Å; K30-T34 PolarHBondContact O-N 3.39Å; K30-T34 PolarHBondContact O-OG1 3.4Å; K30-F45 HydrophobicContact CB-CE1 4.16Å; K30-F45 HydrophobicContact CD-CD1 4.42Å; K30-F45 HydrophobicContact CD-CE1 4.47Å; K30-F45 HydrophobicContact CG-CD1 3.74Å; K30-F45 HydrophobicContact CG-CE1 3.46Å; K30-F45 VanDerWaalsContact CG-CE1 3.46Å; K30-F45 HydrophobicContact CG-CZ 4.23Å
31E97.1Very high96.9Very high117 Ų11767.8 Ų67.855%0.54738%0.377SS..Hα-helixtrans-56.9-49.3-177.9-73.6174.7166.200111.1V27 T28 T34 K35V27-E31 HydrophobicContact CG1-CG 4.24Å; V27-E31 WeakPolarHBondContact O-CG 3.37Å; V27-E31 PolarHBondContact O-N 2.9Å; T28-E31 PolarHBondContact O-N 2.9Å; E31-T34 WeakPolarHBondContact CA-OG1 3.5Å; E31-T34 PolarHBondContact O-N 3.29Å; E31-T34 PolarHBondContact O-OG1 3.02Å; E31-K35 WeakPolarHBondContact O-CG 3.35Å; E31-K35 PolarHBondContact O-N 3.12Å
32V98.2Very high97.1Very high9 Ų965.6 Ų65.66%0.05536%0.361CS..Hα-helixtrans-56.4-53.8176.61700000111.6T28 K30 T34 K35 V86 A87 D90 L95T28-V32 WeakPolarHBondContact O-CG2 3.31Å; T28-V32 PolarHBondContact O-N 3.42Å; K30-V32 VanDerWaalsContact C-N 3.35Å; K30-V32 PolarHBondContact O-N 3.07Å; V32-T34 VanDerWaalsContact C-N 3.32Å; V32-T34 PolarHBondContact O-N 3.17Å; V32-K35 VanDerWaalsContact O-CB 3.26Å; V32-K35 WeakPolarHBondContact O-CB 3.35Å; V32-K35 WeakPolarHBondContact O-CG 3.37Å; V32-K35 PolarHBondContact O-N 3.43Å; V32-K35 VanDerWaalsContact O-N 3.12Å; V32-V86 HydrophobicContact CB-CG1 4.01Å; V32-V86 HydrophobicContact CG1-CG1 3.63Å; V32-A87 HydrophobicContact CG2-CB 4.36Å; V32-D90 HydrophobicContact CG1-CB 3.53Å; V32-L95 HydrophobicContact CG1-CD2 3.58Å
33L97.7Very high97.4Very high0 Ų062.3 Ų62.30%033%0.334CS..Hα-helixtrans-68.4-32.9-175-69163.9000111.8V15 I17 A29 K30 K35 Y36 F38 L43 V73 V86 L95V15-L33 HydrophobicContact CG1-CD1 4.13Å; V15-L33 HydrophobicContact CG1-CD2 4.28Å; I17-L33 HydrophobicContact CD1-CD1 3.26Å; I17-L33 HydrophobicContact CG1-CD1 3.81Å; A29-L33 WeakPolarHBondContact O-CB 3.23Å; A29-L33 WeakPolarHBondContact O-CD1 3.44Å; A29-L33 WeakPolarHBondContact O-CG 3.36Å; A29-L33 PolarHBondContact O-N 3.41Å; A29-L33 VanDerWaalsContact O-N 3.07Å; K30-L33 PolarHBondContact O-N 3.38Å; L33-K35 PolarHBondContact O-N 3.37Å; L33-K35 VanDerWaalsContact O-N 3.17Å; L33-Y36 PolarHBondContact O-N 3.12Å; L33-Y36 VanDerWaalsContact O-N 3.15Å; L33-F38 HydrophobicContact CD2-CZ 4.26Å; L33-F38 VanDerWaalsContact O-CE2 3.31Å; L33-F38 WeakPolarHBondContact O-CE2 3.26Å; L33-L43 HydrophobicContact CB-CD1 4.42Å; L33-V73 HydrophobicContact CD1-CG1 4.16Å; L33-V86 HydrophobicContact CD1-CG1 4.32Å; L33-V86 HydrophobicContact CG-CG1 4.16Å; L33-L95 HydrophobicContact CD2-CD1 4.37Å; L33-L95 HydrophobicContact CD2-CD2 4.2Å
34T96.9Very high97.5Very high90 Ų9064 Ų6455%0.55234%0.34SS*.Hα-helixtrans-68.6-9.7175.556.80000114.7K30 E31 V32 Y36 F45K30-T34 WeakPolarHBondContact O-CB 3.37Å; K30-T34 VanDerWaalsContact O-CG2 3.24Å; K30-T34 WeakPolarHBondContact O-CG2 3.41Å; K30-T34 PolarHBondContact O-N 3.39Å; K30-T34 PolarHBondContact O-OG1 3.4Å; E31-T34 WeakPolarHBondContact CA-OG1 3.5Å; E31-T34 PolarHBondContact O-N 3.29Å; E31-T34 PolarHBondContact O-OG1 3.02Å; V32-T34 VanDerWaalsContact C-N 3.32Å; V32-T34 PolarHBondContact O-N 3.17Å; T34-Y36 PolarHBondContact O-N 2.87Å; T34-F45 HydrophobicContact CG2-CZ 4.16Å
35K97.2Very high97.6Very high136 Ų13663.3 Ų63.359%0.59133%0.328SS*.THydrogen-bonded Turntrans-67.2-26.9170.5-60.6173.3-170.5172.80112.3E31 V32 L33 D90E31-K35 WeakPolarHBondContact O-CG 3.35Å; E31-K35 PolarHBondContact O-N 3.12Å; V32-K35 VanDerWaalsContact O-CB 3.26Å; V32-K35 WeakPolarHBondContact O-CB 3.35Å; V32-K35 WeakPolarHBondContact O-CG 3.37Å; V32-K35 PolarHBondContact O-N 3.43Å; V32-K35 VanDerWaalsContact O-N 3.12Å; L33-K35 PolarHBondContact O-N 3.37Å; L33-K35 VanDerWaalsContact O-N 3.17Å; K35-D90 IonicContact NZ-OD2 3.34Å; K35-D90 PolarHBondContact NZ-OD2 3.16Å
36Y97.8Very high97.6Very high41 Ų4157.5 Ų57.516%0.16131%0.306CS..SBendtrans-92.2149.6-174.7-63.3-90.6000112.3L33 T34 F38 D90 L95 E96 L99 L105L33-Y36 PolarHBondContact O-N 3.12Å; L33-Y36 VanDerWaalsContact O-N 3.15Å; T34-Y36 PolarHBondContact O-N 2.87Å; Y36-F38 PolarHBondContact O-N 3.4Å; Y36-D90 VanDerWaalsContact CE2-OD1 3.32Å; Y36-D90 WeakPolarHBondContact CE2-OD1 3.48Å; Y36-D90 VanDerWaalsContact CZ-OD1 3.3Å; Y36-D90 PolarHBondContact OH-OD1 3.15Å; Y36-L95 HydrophobicContact CE2-CD2 3.7Å; Y36-L95 HydrophobicContact CE2-CG 4.22Å; Y36-E96 HydrophobicContact CE1-CB 3.77Å; Y36-E96 HydrophobicContact CE1-CG 3.97Å; Y36-L99 HydrophobicContact CD1-CD1 3.9Å; Y36-L99 HydrophobicContact CD2-CD1 3.95Å; Y36-L99 HydrophobicContact CE1-CD1 4.23Å; Y36-L99 HydrophobicContact CE2-CD1 4.29Å; Y36-L99 HydrophobicContact CG-CD1 3.74Å; Y36-L105 HydrophobicContact CD1-CD1 4.13Å
37K97.5Very high97.6Very high158 Ų15861.4 Ų61.469%0.68733%0.327SS*.  trans-90.192.6176.6-67.9-171.8179.2-179.40110.9L105 Q106K37-L105 WeakPolarHBondContact O-CA 3.47Å; K37-Q106 HydrophobicContact CB-CB 4.34Å; K37-Q106 HydrophobicContact CB-CG 4.47Å; K37-Q106 PolarHBondContact O-N 3.48Å
38F98.1Very high97.6Very high25 Ų2558.5 Ų58.511%0.1131%0.309CS..BIsolated β-bridgetrans-75.9146.8176-75.2-91.9000112.7V15 L33 Y36 H42 L43 L99 A104 L105 Q106V15-F38 HydrophobicContact CB-CE1 4.04Å; V15-F38 HydrophobicContact CB-CZ 4.39Å; V15-F38 HydrophobicContact CG2-CE1 3.59Å; V15-F38 HydrophobicContact CG2-CZ 4.02Å; L33-F38 HydrophobicContact CD2-CZ 4.26Å; L33-F38 VanDerWaalsContact O-CE2 3.31Å; L33-F38 WeakPolarHBondContact O-CE2 3.26Å; Y36-F38 PolarHBondContact O-N 3.4Å; F38-H42 HydrophobicContact CD1-CB 4.27Å; F38-L43 HydrophobicContact CB-CB 4.14Å; F38-L43 HydrophobicContact CD1-CB 3.83Å; F38-L43 HydrophobicContact CD2-CB 4.09Å; F38-L43 HydrophobicContact CD2-CD2 3.7Å; F38-L43 HydrophobicContact CD2-CG 4.41Å; F38-L43 HydrophobicContact CE1-CB 4.24Å; F38-L43 HydrophobicContact CE1-CD1 4.48Å; F38-L43 HydrophobicContact CE2-CB 4.46Å; F38-L43 HydrophobicContact CE2-CD1 4.36Å; F38-L43 HydrophobicContact CE2-CD2 3.84Å; F38-L43 HydrophobicContact CE2-CG 4.46Å; F38-L43 HydrophobicContact CG-CB 3.75Å; F38-L43 HydrophobicContact CG-CD2 4.23Å; F38-L43 HydrophobicContact CZ-CD1 4.21Å; F38-L43 HydrophobicContact CZ-CD2 4.48Å; F38-L99 HydrophobicContact CE1-CD2 3.92Å; F38-L99 HydrophobicContact CZ-CD1 3.85Å; F38-L99 HydrophobicContact CZ-CD2 3.82Å; F38-L99 HydrophobicContact CZ-CG 4.43Å; F38-A104 WeakPolarHBondContact CA-O 3.33Å; F38-A104 HydrophobicContact CD1-CB 3.98Å; F38-A104 HydrophobicContact CE1-CB 3.97Å; F38-L105 HydrophobicContact CD1-CD2 4.2Å; F38-L105 HydrophobicContact CD2-CD2 4.41Å; F38-L105 HydrophobicContact CE1-CD2 4.2Å; F38-L105 HydrophobicContact CE2-CD2 4.41Å; F38-L105 HydrophobicContact CG-CD2 4.32Å; F38-L105 HydrophobicContact CZ-CD2 4.31Å; F38-Q106 PolarHBondContact O-NE2 3.23Å; F38-Q106 VanDerWaalsContact O-NE2 3.14Å
39K97.8Very high97.5Very high85 Ų8559.8 Ų59.837%0.3732%0.317SS..PPolyproline II helixtrans-63.3151.6162-73.6173.2-178.6151.30110G41 H42 G103 A104 L105 Q106K39-G41 PolarHBondContact O-N 3.29Å; K39-H42 HydrophobicContact CB-CB 4.22Å; K39-H42 WeakPolarHBondContact CB-CD2 3.2Å; K39-H42 WeakPolarHBondContact O-CB 3.41Å; K39-H42 PolarHBondContact O-N 3.33Å; K39-G103 WeakPolarHBondContact CD-O 3.16Å; K39-G103 PolarHBondContact NZ-O 3.45Å; K39-A104 PolarHBondContact N-O 2.79Å; K39-L105 WeakPolarHBondContact CE-O 3.41Å; K39-L105 PolarHBondContact NZ-O 3.47Å; K39-Q106 HydrophobicContact CG-CG 4.23Å
40A96.5Very high97.4Very high102 Ų10263.6 Ų63.684%0.84336%0.356SS*.THydrogen-bonded Turntrans-58.6122-179.500000111.1H42A40-H42 PolarHBondContact O-CD2 3.34Å
41G95.9Very high97.2Very high50 Ų5063.5 Ų63.552%0.51535%0.353SS..THydrogen-bonded Turntrans83.46-179.400000115.8K14 K39K14-G41 WeakPolarHBondContact CD-O 3.49Å; K39-G41 PolarHBondContact O-N 3.29Å
42H98Very high97.2Very high29 Ų2964.1 Ų64.113%0.13437%0.371CS..SBendtrans-95.81.9177.7-69.8-109.5000114D13 V15 F38 K39 A40 A104D13-H42 PolarHBondContact O-ND1 3.2Å; D13-H42 IonicContact OD2-CE1 3.93Å; D13-H42 PolarHBondContact OD2-CE1 3.43Å; D13-H42 IonicContact OD2-ND1 2.68Å; D13-H42 IonicContact OD2-NE2 3.72Å; V15-H42 PolarHBondContact N-O 3.05Å; F38-H42 HydrophobicContact CD1-CB 4.27Å; K39-H42 HydrophobicContact CB-CB 4.22Å; K39-H42 WeakPolarHBondContact CB-CD2 3.2Å; K39-H42 WeakPolarHBondContact O-CB 3.41Å; K39-H42 PolarHBondContact O-N 3.33Å; A40-H42 PolarHBondContact O-CD2 3.34Å; H42-A104 HydrophobicContact CB-CB 4.04Å
43L98.4Very high97.1Very high41 Ų4165.6 Ų65.622%0.21538%0.379CS..EExtended strand (participates in β ladder)trans-133.6122.6171.7178.464.1000109.3V15 I17 L33 F38 F45V15-L43 HydrophobicContact CB-CD1 3.86Å; V15-L43 HydrophobicContact CG1-CD1 3.75Å; V15-L43 CarbonylContact O-C 3.56Å; V15-L43 WeakPolarHBondContact O-CA 3.42Å; I17-L43 HydrophobicContact CD1-CD1 3.91Å; L33-L43 HydrophobicContact CB-CD1 4.42Å; F38-L43 HydrophobicContact CB-CB 4.14Å; F38-L43 HydrophobicContact CD1-CB 3.83Å; F38-L43 HydrophobicContact CD2-CB 4.09Å; F38-L43 HydrophobicContact CD2-CD2 3.7Å; F38-L43 HydrophobicContact CD2-CG 4.41Å; F38-L43 HydrophobicContact CE1-CB 4.24Å; F38-L43 HydrophobicContact CE1-CD1 4.48Å; F38-L43 HydrophobicContact CE2-CB 4.46Å; F38-L43 HydrophobicContact CE2-CD1 4.36Å; F38-L43 HydrophobicContact CE2-CD2 3.84Å; F38-L43 HydrophobicContact CE2-CG 4.46Å; F38-L43 HydrophobicContact CG-CB 3.75Å; F38-L43 HydrophobicContact CG-CD2 4.23Å; F38-L43 HydrophobicContact CZ-CD1 4.21Å; F38-L43 HydrophobicContact CZ-CD2 4.48Å; L43-F45 HydrophobicContact CD1-CZ 4.18Å; L43-F45 HydrophobicContact CD2-CE2 3.7Å; L43-F45 HydrophobicContact CD2-CZ 3.66Å; L43-F45 HydrophobicContact CG-CE2 3.88Å; L43-F45 HydrophobicContact CG-CZ 3.97Å
44E98.1Very high97Very high55 Ų5567.2 Ų67.226%0.25739%0.387SS..EExtended strand (participates in β ladder)trans-127.1130.4178.1-168.3177.1179.900111.2K9 K14 V15 I17 I46K9-E44 IonicContact NZ-OE1 2.93Å; K9-E44 PolarHBondContact NZ-OE1 2.91Å; K14-E44 HydrophobicContact CD-CB 4.26Å; K14-E44 IonicContact NZ-OE2 2.71Å; K14-E44 PolarHBondContact NZ-OE2 3.15Å; V15-E44 PolarHBondContact O-N 3.04Å; I17-E44 PolarHBondContact N-O 3.45Å; E44-I46 HydrophobicContact CG-CD1 4.34Å; E44-I46 HydrophobicContact CG-CG1 3.9Å
45F98Very high97Very high76 Ų7666.1 Ų66.133%0.33338%0.383SS..EExtended strand (participates in β ladder)trans-106.9118174.2-63.2-75.1000109.2I17 L19 K30 T34 L43I17-F45 HydrophobicContact CB-CD1 4.23Å; I17-F45 HydrophobicContact CD1-CD1 3.43Å; I17-F45 VanDerWaalsContact CD1-CD1 3.43Å; I17-F45 HydrophobicContact CD1-CE1 3.19Å; I17-F45 HydrophobicContact CD1-CZ 4.15Å; I17-F45 HydrophobicContact CG1-CD1 4.49Å; L19-F45 HydrophobicContact CD2-CB 3.87Å; L19-F45 HydrophobicContact CD2-CD1 3.78Å; L19-F45 HydrophobicContact CD2-CG 4.28Å; K30-F45 HydrophobicContact CB-CE1 4.16Å; K30-F45 HydrophobicContact CD-CD1 4.42Å; K30-F45 HydrophobicContact CD-CE1 4.47Å; K30-F45 HydrophobicContact CG-CD1 3.74Å; K30-F45 HydrophobicContact CG-CE1 3.46Å; K30-F45 VanDerWaalsContact CG-CE1 3.46Å; K30-F45 HydrophobicContact CG-CZ 4.23Å; T34-F45 HydrophobicContact CG2-CZ 4.16Å; L43-F45 HydrophobicContact CD1-CZ 4.18Å; L43-F45 HydrophobicContact CD2-CE2 3.7Å; L43-F45 HydrophobicContact CD2-CZ 3.66Å; L43-F45 HydrophobicContact CG-CE2 3.88Å; L43-F45 HydrophobicContact CG-CZ 3.97Å
46I98.1Very high97Very high12 Ų1263.1 Ų63.16%0.06238%0.378CS..EExtended strand (participates in β ladder)trans-112.1104.5-173.5-56.5-177.8000109.1F5 K9 T16 I17 F18 L19 E44 I48F5-I46 HydrophobicContact CE1-CG2 4.34Å; F5-I46 HydrophobicContact CZ-CG2 3.63Å; K9-I46 HydrophobicContact CB-CD1 3.53Å; K9-I46 HydrophobicContact CD-CD1 3.65Å; K9-I46 HydrophobicContact CG-CD1 3.53Å; T16-I46 HydrophobicContact CG2-CD1 3.48Å; T16-I46 VanDerWaalsContact CG2-CD1 3.48Å; T16-I46 HydrophobicContact CG2-CG1 4.23Å; I17-I46 PolarHBondContact O-N 3.09Å; F18-I46 WeakPolarHBondContact CA-O 3.29Å; F18-I46 HydrophobicContact CD1-CB 3.87Å; F18-I46 HydrophobicContact CD1-CD1 4.18Å; F18-I46 HydrophobicContact CD1-CG2 3.74Å; F18-I46 HydrophobicContact CE1-CB 4.2Å; F18-I46 HydrophobicContact CE1-CD1 3.66Å; F18-I46 HydrophobicContact CE1-CG2 3.94Å; F18-I46 HydrophobicContact CZ-CD1 4.02Å; L19-I46 PolarHBondContact N-O 2.97Å; E44-I46 HydrophobicContact CG-CD1 4.34Å; E44-I46 HydrophobicContact CG-CG1 3.9Å; I46-I48 HydrophobicContact CG2-CG2 4.15Å; I46-I48 PolarHBondContact O-N 2.87Å
47D97.9Very high97.1Very high84 Ų8461.1 Ų61.145%0.44937%0.371SS..EExtended strand (participates in β ladder)trans-73.8120.5171.1-170.2-5.9000110L19 P21 T49L19-D47 HydrophobicContact CD1-CB 4.49Å; L19-D47 WeakPolarHBondContact O-CA 3.33Å; P21-D47 WeakPolarHBondContact CD-OD1 3.14Å; P21-D47 VanDerWaalsContact CD-OD2 3.29Å; P21-D47 WeakPolarHBondContact CD-OD2 3.27Å; P21-D47 WeakPolarHBondContact CG-OD2 3.5Å; D47-T49 WeakPolarHBondContact OD1-CB 3.41Å; D47-T49 PolarHBondContact OD1-N 2.89Å; D47-T49 PolarHBondContact OD1-OG1 2.99Å
48I97.5Very high97.1Very high1 Ų155.6 Ų55.61%0.00535%0.347CS..  trans-102.76.717964.6164.9000112.7F5 F18 L19 K20 I46 R51 M54 L57 F61 V70F5-I48 HydrophobicContact CE1-CG2 4.21Å; F18-I48 HydrophobicContact CB-CG2 4.29Å; F18-I48 HydrophobicContact CD1-CG2 3.89Å; L19-I48 WeakPolarHBondContact O-CG1 3.43Å; L19-I48 PolarHBondContact O-N 3.41Å; K20-I48 HydrophobicContact CG-CG1 4.09Å; I46-I48 HydrophobicContact CG2-CG2 4.15Å; I46-I48 PolarHBondContact O-N 2.87Å; I48-R51 WeakPolarHBondContact O-CG 3.38Å; I48-M54 HydrophobicContact CB-CE 4.35Å; I48-M54 HydrophobicContact CD1-CE 4.07Å; I48-M54 HydrophobicContact CD1-SD 4.04Å; I48-M54 HydrophobicContact CG1-CE 4.09Å; I48-M54 WeakPolarHBondContact O-CE 3.3Å; I48-L57 HydrophobicContact CB-CD2 4Å; I48-L57 HydrophobicContact CD1-CD2 3.87Å; I48-L57 HydrophobicContact CG2-CD2 3.92Å; I48-F61 HydrophobicContact CD1-CE2 4.01Å; I48-V70 HydrophobicContact CD1-CG1 3.46Å; I48-V70 VanDerWaalsContact CD1-CG1 3.46Å; I48-V70 HydrophobicContact CG1-CG1 4.12Å
49T96.6Very high97.1Very high77 Ų7757.8 Ų57.847%0.47236%0.36SS..THydrogen-bonded Turntrans-59139-178.8-55.50000111.5P21 D47 R51P21-T49 WeakPolarHBondContact CD-OG1 3.4Å; D47-T49 WeakPolarHBondContact OD1-CB 3.41Å; D47-T49 PolarHBondContact OD1-N 2.89Å; D47-T49 PolarHBondContact OD1-OG1 2.99Å; T49-R51 PolarHBondContact O-N 3.35Å
50G94.1Very high97.1Very high79 Ų7954.6 Ų54.681%0.81435%0.346SS*.THydrogen-bonded Turntrans74.93.3173.500000115.9S52G50-S52 PolarHBondContact O-N 2.93Å
51R94.3Very high97.2Very high66 Ų6649.8 Ų49.825%0.24931%0.306CS..  trans-62.2134.3174.4-71.2-176.467.7104.2-2112F5 I48 T49 D53 M54F5-R51 VanDerWaalsContact CE1-NH1 3.3Å; I48-R51 WeakPolarHBondContact O-CG 3.38Å; T49-R51 PolarHBondContact O-N 3.35Å; R51-D53 VanDerWaalsContact C-N 3.29Å; R51-D53 WeakPolarHBondContact CB-OD1 3.39Å; R51-D53 IonicContact CZ-OD1 3.33Å; R51-D53 IonicContact CZ-OD2 3.77Å; R51-D53 IonicContact NE-OD1 2.78Å; R51-D53 PolarHBondContact NE-OD1 3.47Å; R51-D53 IonicContact NE-OD2 3.91Å; R51-D53 VanDerWaalsContact NH2-CG 3.34Å; R51-D53 IonicContact NH2-OD1 3.09Å; R51-D53 PolarHBondContact NH2-OD1 3.2Å; R51-D53 VanDerWaalsContact NH2-OD1 3.09Å; R51-D53 IonicContact NH2-OD2 2.79Å; R51-D53 PolarHBondContact NH2-OD2 2.84Å; R51-D53 PolarHBondContact O-N 2.63Å; R51-M54 HydrophobicContact CB-CE 4.39Å; R51-M54 PolarHBondContact O-N 2.88Å
52S96.3Very high97.3Very high131 Ų13151.3 Ų51.392%0.91630%0.302SS*.THydrogen-bonded Turntrans-69.8-24.817752.50000113.3G50G50-S52 PolarHBondContact O-N 2.93Å
53D96.2Very high97.2Very high40 Ų4056.5 Ų56.521%0.21433%0.326CS..THydrogen-bonded Turntrans-97.520.9179.268.9-19.5000113.3R51 S55 S56 L57R51-D53 VanDerWaalsContact C-N 3.29Å; R51-D53 WeakPolarHBondContact CB-OD1 3.39Å; R51-D53 IonicContact CZ-OD1 3.33Å; R51-D53 IonicContact CZ-OD2 3.77Å; R51-D53 IonicContact NE-OD1 2.78Å; R51-D53 PolarHBondContact NE-OD1 3.47Å; R51-D53 IonicContact NE-OD2 3.91Å; R51-D53 VanDerWaalsContact NH2-CG 3.34Å; R51-D53 IonicContact NH2-OD1 3.09Å; R51-D53 PolarHBondContact NH2-OD1 3.2Å; R51-D53 VanDerWaalsContact NH2-OD1 3.09Å; R51-D53 IonicContact NH2-OD2 2.79Å; R51-D53 PolarHBondContact NH2-OD2 2.84Å; R51-D53 PolarHBondContact O-N 2.63Å; D53-S55 VanDerWaalsContact C-N 3.3Å; D53-S55 PolarHBondContact O-N 2.96Å; D53-S56 PolarHBondContact O-N 2.82Å; D53-S56 VanDerWaalsContact O-N 3.1Å; D53-L57 PolarHBondContact O-N 2.92Å
54M96.3Very high97.2Very high34 Ų3457.5 Ų57.517%0.16733%0.331CS..Hα-helixtrans-51.5-43.6-175178.264.758.900113.3K20 I48 R51 L57 Q58K20-M54 PolarHBondContact NZ-SD 3Å; I48-M54 HydrophobicContact CB-CE 4.35Å; I48-M54 HydrophobicContact CD1-CE 4.07Å; I48-M54 HydrophobicContact CD1-SD 4.04Å; I48-M54 HydrophobicContact CG1-CE 4.09Å; I48-M54 WeakPolarHBondContact O-CE 3.3Å; R51-M54 HydrophobicContact CB-CE 4.39Å; R51-M54 PolarHBondContact O-N 2.88Å; M54-L57 PolarHBondContact O-N 2.9Å; M54-Q58 HydrophobicContact CG-CG 4.4Å; M54-Q58 VanDerWaalsContact O-CG 3.28Å; M54-Q58 WeakPolarHBondContact O-CG 3.28Å; M54-Q58 PolarHBondContact O-N 2.82Å; M54-Q58 HydrophobicContact SD-CG 4Å
55S97Very high97.1Very high67 Ų6756.4 Ų56.447%0.46933%0.328SS..Hα-helixtrans-61.1-49.3179.5-168.40000111.3D53 L57 Q58 D59D53-S55 VanDerWaalsContact C-N 3.3Å; D53-S55 PolarHBondContact O-N 2.96Å; S55-L57 VanDerWaalsContact C-N 3.29Å; S55-L57 PolarHBondContact O-N 2.82Å; S55-Q58 PolarHBondContact O-N 3.27Å; S55-Q58 VanDerWaalsContact O-N 3.16Å; S55-D59 PolarHBondContact O-N 2.7Å
56S97.6Very high97.1Very high72 Ų7255.6 Ų55.650%0.50334%0.341SS..Hα-helixtrans-63.3-35.8179.2-53.50000112.2D53 D59 Y60D53-S56 PolarHBondContact O-N 2.82Å; D53-S56 VanDerWaalsContact O-N 3.1Å; S56-D59 PolarHBondContact O-N 3.41Å; S56-Y60 WeakPolarHBondContact O-CB 3.49Å; S56-Y60 PolarHBondContact O-N 2.85Å
57L97.9Very high97Very high0 Ų056.2 Ų56.20%035%0.348CS..Hα-helixtrans-64.8-43.2173.8179.361.9000112.1A2 F5 V6 I48 D53 M54 S55 Y60 F61A2-L57 HydrophobicContact CB-CB 4.19Å; F5-L57 HydrophobicContact CD1-CD1 4.08Å; F5-L57 HydrophobicContact CE1-CD1 4.47Å; F5-L57 HydrophobicContact CE1-CD2 4.38Å; V6-L57 HydrophobicContact CG2-CD1 3.37Å; I48-L57 HydrophobicContact CB-CD2 4Å; I48-L57 HydrophobicContact CD1-CD2 3.87Å; I48-L57 HydrophobicContact CG2-CD2 3.92Å; D53-L57 PolarHBondContact O-N 2.92Å; M54-L57 PolarHBondContact O-N 2.9Å; S55-L57 VanDerWaalsContact C-N 3.29Å; S55-L57 PolarHBondContact O-N 2.82Å; L57-Y60 PolarHBondContact O-N 3.18Å; L57-F61 HydrophobicContact CD1-CE1 4.05Å; L57-F61 HydrophobicContact CD1-CE2 4.07Å; L57-F61 HydrophobicContact CD1-CZ 3.72Å; L57-F61 HydrophobicContact CD2-CE2 4.17Å; L57-F61 HydrophobicContact CD2-CZ 4.28Å; L57-F61 HydrophobicContact CG-CD2 4.3Å; L57-F61 HydrophobicContact CG-CE2 3.74Å; L57-F61 HydrophobicContact CG-CZ 3.9Å; L57-F61 WeakPolarHBondContact O-CD2 3.28Å; L57-F61 WeakPolarHBondContact O-CG 3.49Å; L57-F61 PolarHBondContact O-N 3.39Å
58Q97.8Very high97Very high42 Ų4257 Ų5720%0.19635%0.345CS..Hα-helixtrans-67.2-36.7177.1-71.1-171.7-6600112.4M54 S55 F61 L62 R68M54-Q58 HydrophobicContact CG-CG 4.4Å; M54-Q58 VanDerWaalsContact O-CG 3.28Å; M54-Q58 WeakPolarHBondContact O-CG 3.28Å; M54-Q58 PolarHBondContact O-N 2.82Å; M54-Q58 HydrophobicContact SD-CG 4Å; S55-Q58 PolarHBondContact O-N 3.27Å; S55-Q58 VanDerWaalsContact O-N 3.16Å; Q58-F61 PolarHBondContact O-N 3.02Å; Q58-L62 PolarHBondContact O-N 3.09Å; Q58-R68 HydrophobicContact CB-CB 4.17Å; Q58-R68 WeakPolarHBondContact CG-O 3.43Å; Q58-R68 PolarHBondContact NE2-O 3.36Å; Q58-R68 VanDerWaalsContact NE2-O 3.16Å; Q58-R68 WeakPolarHBondContact O-CG 3.46Å
59D98.3Very high97Very high71 Ų7161 Ų6138%0.3837%0.369SS..Hα-helixtrans-67.2-39.9176-61.9-20.7000110.8S55 S56 L62 E63 R68S55-D59 PolarHBondContact O-N 2.7Å; S56-D59 PolarHBondContact O-N 3.41Å; D59-L62 WeakPolarHBondContact O-CB 3.45Å; D59-L62 PolarHBondContact O-N 3.29Å; D59-E63 PolarHBondContact O-N 2.97Å; D59-R68 IonicContact OD1-CZ 3.02Å; D59-R68 IonicContact OD1-NE 2.94Å; D59-R68 PolarHBondContact OD1-NE 3.08Å; D59-R68 IonicContact OD1-NH2 3.22Å; D59-R68 PolarHBondContact OD1-NH2 2.88Å
60Y97.9Very high97Very high18 Ų1858.3 Ų58.37%0.07135%0.353CS..Hα-helixtrans-65.5-40.8172.3-177.1-112.6000112.3Q3 V6 E7 S56 L57 L62 E63 I64Q3-Y60 HydrophobicContact CB-CD2 4.03Å; Q3-Y60 HydrophobicContact CB-CE1 4.34Å; Q3-Y60 HydrophobicContact CB-CE2 3.76Å; Q3-Y60 HydrophobicContact CB-CG 4.35Å; Q3-Y60 HydrophobicContact CG-CD2 3.46Å; Q3-Y60 VanDerWaalsContact CG-CD2 3.46Å; Q3-Y60 HydrophobicContact CG-CE2 3.64Å; Q3-Y60 HydrophobicContact CG-CG 3.9Å; V6-Y60 HydrophobicContact CB-CD1 4.04Å; V6-Y60 HydrophobicContact CB-CE1 3.65Å; V6-Y60 HydrophobicContact CG1-CD1 4.39Å; V6-Y60 HydrophobicContact CG1-CE1 3.81Å; V6-Y60 HydrophobicContact CG2-CD1 3.93Å; V6-Y60 HydrophobicContact CG2-CE1 4.08Å; E7-Y60 VanDerWaalsContact CG-OH 3.31Å; E7-Y60 WeakPolarHBondContact CG-OH 3.04Å; E7-Y60 PolarHBondContact OE1-OH 3.06Å; S56-Y60 WeakPolarHBondContact O-CB 3.49Å; S56-Y60 PolarHBondContact O-N 2.85Å; L57-Y60 PolarHBondContact O-N 3.18Å; Y60-L62 VanDerWaalsContact C-N 3.25Å; Y60-L62 PolarHBondContact O-N 3.08Å; Y60-E63 WeakPolarHBondContact O-CB 3.48Å; Y60-E63 PolarHBondContact O-N 3.14Å; Y60-E63 VanDerWaalsContact O-N 3.08Å; Y60-I64 HydrophobicContact CD1-CD1 4.15Å; Y60-I64 HydrophobicContact CD1-CG1 4.28Å; Y60-I64 HydrophobicContact CD2-CG2 4.14Å; Y60-I64 HydrophobicContact CE1-CD1 3.56Å; Y60-I64 HydrophobicContact CE1-CG1 4.02Å; Y60-I64 HydrophobicContact CE1-CG2 4.22Å; Y60-I64 HydrophobicContact CE2-CG2 3.59Å; Y60-I64 VanDerWaalsContact O-CG1 3.3Å; Y60-I64 WeakPolarHBondContact O-CG1 3.29Å; Y60-I64 PolarHBondContact O-N 2.77Å
61F98.2Very high97.3Very high0 Ų054.7 Ų54.70%032%0.315CS..Hα-helixtrans-58.6-38172.7-70.5-35000112.7V6 F18 I48 L57 Q58 E63 T65 A67 R72V6-F61 HydrophobicContact CG1-CE1 4.4Å; V6-F61 HydrophobicContact CG2-CD1 4.41Å; V6-F61 HydrophobicContact CG2-CE1 3.68Å; V6-F61 HydrophobicContact CG2-CZ 4.28Å; F18-F61 HydrophobicContact CB-CE1 4.3Å; F18-F61 HydrophobicContact CB-CE2 4.25Å; F18-F61 HydrophobicContact CB-CZ 3.56Å; F18-F61 HydrophobicContact CD1-CE1 4.44Å; F18-F61 AromaticContact CD1-CZ 3.94Å; F18-F61 HydrophobicContact CD1-CZ 3.94Å; F18-F61 AromaticContact CD2-CE1 3.78Å; F18-F61 HydrophobicContact CD2-CE1 3.78Å; F18-F61 AromaticContact CD2-CZ 3.88Å; F18-F61 HydrophobicContact CD2-CZ 3.88Å; F18-F61 HydrophobicContact CE2-CE1 4.19Å; F18-F61 AromaticContact CG-CE1 3.92Å; F18-F61 HydrophobicContact CG-CE1 3.92Å; F18-F61 AromaticContact CG-CZ 3.52Å; F18-F61 HydrophobicContact CG-CZ 3.52Å; I48-F61 HydrophobicContact CD1-CE2 4.01Å; L57-F61 HydrophobicContact CD1-CE1 4.05Å; L57-F61 HydrophobicContact CD1-CE2 4.07Å; L57-F61 HydrophobicContact CD1-CZ 3.72Å; L57-F61 HydrophobicContact CD2-CE2 4.17Å; L57-F61 HydrophobicContact CD2-CZ 4.28Å; L57-F61 HydrophobicContact CG-CD2 4.3Å; L57-F61 HydrophobicContact CG-CE2 3.74Å; L57-F61 HydrophobicContact CG-CZ 3.9Å; L57-F61 WeakPolarHBondContact O-CD2 3.28Å; L57-F61 WeakPolarHBondContact O-CG 3.49Å; L57-F61 PolarHBondContact O-N 3.39Å; Q58-F61 PolarHBondContact O-N 3.02Å; F61-E63 VanDerWaalsContact C-N 3.33Å; F61-T65 WeakPolarHBondContact O-CA 3.25Å; F61-T65 VanDerWaalsContact O-CB 3.27Å; F61-T65 WeakPolarHBondContact O-CB 3.45Å; F61-T65 WeakPolarHBondContact O-CG2 3.41Å; F61-T65 PolarHBondContact O-N 3.29Å; F61-T65 PolarHBondContact O-OG1 3.05Å; F61-A67 CarbonylContact C-O 3.12Å; F61-A67 VanDerWaalsContact CB-O 3.28Å; F61-A67 WeakPolarHBondContact CB-O 3.24Å; F61-R72 HydrophobicContact CB-CG 4.08Å; F61-R72 HydrophobicContact CD1-CB 4.37Å; F61-R72 HydrophobicContact CD1-CG 3.89Å; F61-R72 HydrophobicContact CD2-CG 3.85Å; F61-R72 HydrophobicContact CE1-CB 4.33Å; F61-R72 HydrophobicContact CE1-CG 4.23Å; F61-R72 HydrophobicContact CE2-CG 4.2Å; F61-R72 HydrophobicContact CG-CG 3.71Å; F61-R72 HydrophobicContact CZ-CG 4.39Å
62L98Very high97.5Very high83 Ų8352.4 Ų52.444%0.43531%0.307SS..Hα-helixtrans-62.6-43.1174.4176.762.8000111.5Q58 D59 Y60 G66 A67 R68Q58-L62 PolarHBondContact O-N 3.09Å; D59-L62 WeakPolarHBondContact O-CB 3.45Å; D59-L62 PolarHBondContact O-N 3.29Å; Y60-L62 VanDerWaalsContact C-N 3.25Å; Y60-L62 PolarHBondContact O-N 3.08Å; L62-G66 WeakPolarHBondContact CD1-O 3.44Å; L62-G66 WeakPolarHBondContact O-CA 3.38Å; L62-G66 PolarHBondContact O-N 3.04Å; L62-A67 PolarHBondContact N-O 3.12Å; L62-R68 HydrophobicContact CB-CG 3.67Å; L62-R68 HydrophobicContact CD1-CG 4.45Å; L62-R68 HydrophobicContact CD2-CG 4.02Å; L62-R68 HydrophobicContact CG-CG 4.27Å
63E97.6Very high97.6Very high137 Ų13746.2 Ų46.264%0.6426%0.263SS*.Hα-helixtrans-59.8-49.5178.6-173.2-178.2174.300112.1D59 Y60 F61D59-E63 PolarHBondContact O-N 2.97Å; Y60-E63 WeakPolarHBondContact O-CB 3.48Å; Y60-E63 PolarHBondContact O-N 3.14Å; Y60-E63 VanDerWaalsContact O-N 3.08Å; F61-E63 VanDerWaalsContact C-N 3.33Å
64I96.7Very high97.7Very high63 Ų6344.5 Ų44.532%0.32325%0.254SS..Hα-helixtrans-94.6-15.9-172.163.5153.5000114.8V6 Y60 F74V6-I64 HydrophobicContact CG1-CD1 4.02Å; Y60-I64 HydrophobicContact CD1-CD1 4.15Å; Y60-I64 HydrophobicContact CD1-CG1 4.28Å; Y60-I64 HydrophobicContact CD2-CG2 4.14Å; Y60-I64 HydrophobicContact CE1-CD1 3.56Å; Y60-I64 HydrophobicContact CE1-CG1 4.02Å; Y60-I64 HydrophobicContact CE1-CG2 4.22Å; Y60-I64 HydrophobicContact CE2-CG2 3.59Å; Y60-I64 VanDerWaalsContact O-CG1 3.3Å; Y60-I64 WeakPolarHBondContact O-CG1 3.29Å; Y60-I64 PolarHBondContact O-N 2.77Å; I64-F74 HydrophobicContact CD1-CE1 3.94Å; I64-F74 HydrophobicContact CD1-CZ 3.65Å
65T97.3Very high97.8Very high31 Ų3143.3 Ų43.319%0.1925%0.248CC..Hα-helixtrans-125.8-7.7-177.281.40000114.3F61 A67 R72 F74 C79F61-T65 WeakPolarHBondContact O-CA 3.25Å; F61-T65 VanDerWaalsContact O-CB 3.27Å; F61-T65 WeakPolarHBondContact O-CB 3.45Å; F61-T65 WeakPolarHBondContact O-CG2 3.41Å; F61-T65 PolarHBondContact O-N 3.29Å; F61-T65 PolarHBondContact O-OG1 3.05Å; T65-A67 VanDerWaalsContact C-N 3.26Å; T65-A67 PolarHBondContact O-N 3.08Å; T65-A67 PolarHBondContact OG1-N 3.26Å; T65-A67 PolarHBondContact OG1-O 3.3Å; T65-R72 WeakPolarHBondContact OG1-CD 3.32Å; T65-R72 PolarHBondContact OG1-NH1 3.23Å; T65-F74 HydrophobicContact CG2-CE1 4.21Å; T65-F74 HydrophobicContact CG2-CE2 4.32Å; T65-F74 HydrophobicContact CG2-CZ 3.56Å; T65-C79 VanDerWaalsContact CB-SG 3.55Å; T65-C79 HydrophobicContact CG2-CB 3.64Å; T65-C79 WeakPolarHBondContact CG2-SG 3.33Å
66G97.1Very high97.8Very high59 Ų5940.2 Ų40.261%0.60823%0.227SC*.SBendtrans76.72.4-174.500000115.1L62L62-G66 WeakPolarHBondContact CD1-O 3.44Å; L62-G66 WeakPolarHBondContact O-CA 3.38Å; L62-G66 PolarHBondContact O-N 3.04Å
67A97.4Very high97.7Very high26 Ų2643.6 Ų43.622%0.21523%0.234CC..  trans-144.6147.8174.900000114.1F61 L62 T65F61-A67 CarbonylContact C-O 3.12Å; F61-A67 VanDerWaalsContact CB-O 3.28Å; F61-A67 WeakPolarHBondContact CB-O 3.24Å; L62-A67 PolarHBondContact N-O 3.12Å; T65-A67 VanDerWaalsContact C-N 3.26Å; T65-A67 PolarHBondContact O-N 3.08Å; T65-A67 PolarHBondContact OG1-N 3.26Å; T65-A67 PolarHBondContact OG1-O 3.3Å
68R97.4Very high97.6Very high101 Ų10150 Ų5038%0.38126%0.264SS..  trans-84.3-15-179.6-65.6-175.382.4-1502.6114.6Q58 D59 L62Q58-R68 HydrophobicContact CB-CB 4.17Å; Q58-R68 WeakPolarHBondContact CG-O 3.43Å; Q58-R68 PolarHBondContact NE2-O 3.36Å; Q58-R68 VanDerWaalsContact NE2-O 3.16Å; Q58-R68 WeakPolarHBondContact O-CG 3.46Å; D59-R68 IonicContact OD1-CZ 3.02Å; D59-R68 IonicContact OD1-NE 2.94Å; D59-R68 PolarHBondContact OD1-NE 3.08Å; D59-R68 IonicContact OD1-NH2 3.22Å; D59-R68 PolarHBondContact OD1-NH2 2.88Å; L62-R68 HydrophobicContact CB-CG 3.67Å; L62-R68 HydrophobicContact CD1-CG 4.45Å; L62-R68 HydrophobicContact CD2-CG 4.02Å; L62-R68 HydrophobicContact CG-CG 4.27Å
69T97.2Very high97.6Very high83 Ų8349.3 Ų49.351%0.50926%0.264SS..SBendtrans-97.3150.1-162.549.50000112.4R72T69-R72 WeakPolarHBondContact O-CD 3.33Å; T69-R72 PolarHBondContact O-NE 2.92Å
70V97.6Very high97.6Very high22 Ų2247 Ų4713%0.13325%0.252CS..SBendtrans-81.1155.2167.5-69.10000110.8K20 C23 I48K20-V70 HydrophobicContact CB-CG2 4.13Å; K20-V70 HydrophobicContact CD-CG2 3.92Å; K20-V70 HydrophobicContact CG-CG1 4.5Å; K20-V70 HydrophobicContact CG-CG2 3.91Å; C23-V70 HydrophobicContact CB-CG2 4.33Å; I48-V70 HydrophobicContact CD1-CG1 3.46Å; I48-V70 VanDerWaalsContact CD1-CG1 3.46Å; I48-V70 HydrophobicContact CG1-CG1 4.12Å
71P98.4Very high97.6Very high3 Ų346.7 Ų46.72%0.01926%0.255CS..PPolyproline II helixcis-70.9152.7-8.431.3-35000111.6I17 F18 C26 A29 V73 G82I17-P71 HydrophobicContact CG2-CB 4.18Å; F18-P71 VanDerWaalsContact O-CA 3.25Å; F18-P71 WeakPolarHBondContact O-CA 3.49Å; C26-P71 HydrophobicContact CB-CB 4.47Å; A29-P71 HydrophobicContact CB-CG 4.32Å; P71-V73 HydrophobicContact CB-CG2 4.28Å; P71-G82 WeakPolarHBondContact O-CA 3.28Å
72R98.5Very high97.6Very high18 Ų1846.9 Ų46.97%0.06826%0.257CS..EExtended strand (participates in β ladder)trans-114.6117.9160.9-66.7-64.485.2-164.3-2.5107.7I17 F18 F61 T65 T69 F74 G82I17-R72 WeakPolarHBondContact CA-O 3.35Å; F18-R72 HydrophobicContact CB-CB 4.44Å; F18-R72 HydrophobicContact CD2-CB 4.44Å; F18-R72 PolarHBondContact N-O 2.99Å; F18-R72 PolarHBondContact O-N 3.4Å; F18-R72 VanDerWaalsContact O-N 3.08Å; F61-R72 HydrophobicContact CB-CG 4.08Å; F61-R72 HydrophobicContact CD1-CB 4.37Å; F61-R72 HydrophobicContact CD1-CG 3.89Å; F61-R72 HydrophobicContact CD2-CG 3.85Å; F61-R72 HydrophobicContact CE1-CB 4.33Å; F61-R72 HydrophobicContact CE1-CG 4.23Å; F61-R72 HydrophobicContact CE2-CG 4.2Å; F61-R72 HydrophobicContact CG-CG 3.71Å; F61-R72 HydrophobicContact CZ-CG 4.39Å; T65-R72 WeakPolarHBondContact OG1-CD 3.32Å; T65-R72 PolarHBondContact OG1-NH1 3.23Å; T69-R72 WeakPolarHBondContact O-CD 3.33Å; T69-R72 PolarHBondContact O-NE 2.92Å; R72-F74 HydrophobicContact CB-CE2 3.99Å; R72-G82 VanDerWaalsContact NH2-CA 3.33Å
73V98.6Very high97.5Very high0 Ų043 Ų430%024%0.237CC..EExtended strand (participates in β ladder)trans-110.6129.9-175.6-174.80000109.6V15 I17 A29 L33 P71 C79 V80 G81 V86V15-V73 HydrophobicContact CG1-CG1 4.4Å; I17-V73 HydrophobicContact CB-CG2 4.46Å; I17-V73 HydrophobicContact CG1-CB 4.36Å; I17-V73 HydrophobicContact CG1-CG1 3.86Å; I17-V73 HydrophobicContact CG1-CG2 3.98Å; I17-V73 HydrophobicContact CG2-CG2 3.99Å; A29-V73 HydrophobicContact CB-CG2 4.28Å; L33-V73 HydrophobicContact CD1-CG1 4.16Å; P71-V73 HydrophobicContact CB-CG2 4.28Å; V73-C79 WeakPolarHBondContact O-CA 3.35Å; V73-C79 PolarHBondContact O-SG 2.92Å; V73-V80 HydrophobicContact CB-CG2 3.91Å; V73-V80 HydrophobicContact CG1-CG2 3.83Å; V73-V80 PolarHBondContact O-N 3.11Å; V73-G81 PolarHBondContact N-O 3.23Å; V73-V86 HydrophobicContact CB-CG2 3.82Å; V73-V86 HydrophobicContact CG1-CG2 3.79Å; V73-V86 HydrophobicContact CG2-CG2 3.79Å
74F98.6Very high97.5Very high4 Ų439.3 Ų39.32%0.01823%0.226CC..EExtended strand (participates in β ladder)trans-118132.7177.1-66.4-99.8000109.4L10 V15 T16 F18 I64 T65 R72 E78 C79L10-F74 HydrophobicContact CD1-CD1 3.79Å; L10-F74 HydrophobicContact CD1-CE1 3.9Å; L10-F74 HydrophobicContact CD1-CG 4.36Å; L10-F74 HydrophobicContact CD2-CB 3.7Å; L10-F74 HydrophobicContact CD2-CD1 3.86Å; L10-F74 HydrophobicContact CD2-CD2 3.92Å; L10-F74 HydrophobicContact CD2-CE1 4.46Å; L10-F74 HydrophobicContact CD2-CG 3.55Å; V15-F74 CarbonylContact C-O 3.52Å; V15-F74 VanDerWaalsContact CA-O 3.28Å; V15-F74 WeakPolarHBondContact CA-O 3.31Å; V15-F74 WeakPolarHBondContact CG1-O 3.4Å; T16-F74 PolarHBondContact N-O 2.9Å; T16-F74 PolarHBondContact O-N 3.48Å; F18-F74 HydrophobicContact CD2-CD2 4.06Å; F18-F74 AromaticContact CD2-CE2 3.83Å; F18-F74 HydrophobicContact CD2-CE2 3.83Å; F18-F74 AromaticContact CE2-CD2 3.92Å; F18-F74 HydrophobicContact CE2-CD2 3.92Å; F18-F74 AromaticContact CE2-CE2 3.77Å; F18-F74 HydrophobicContact CE2-CE2 3.77Å; I64-F74 HydrophobicContact CD1-CE1 3.94Å; I64-F74 HydrophobicContact CD1-CZ 3.65Å; T65-F74 HydrophobicContact CG2-CE1 4.21Å; T65-F74 HydrophobicContact CG2-CE2 4.32Å; T65-F74 HydrophobicContact CG2-CZ 3.56Å; R72-F74 HydrophobicContact CB-CE2 3.99Å; F74-E78 CarbonylContact C-O 3.56Å; F74-E78 VanDerWaalsContact CA-O 3.23Å; F74-E78 WeakPolarHBondContact CA-O 3.43Å; F74-C79 HydrophobicContact CD1-CB 3.84Å; F74-C79 HydrophobicContact CE1-CB 3.55Å; F74-C79 HydrophobicContact CG-CB 4.47Å; F74-C79 HydrophobicContact CZ-CB 3.95Å
75I98.3Very high97.6Very high9 Ų940 Ų405%0.04623%0.23CC..EExtended strand (participates in β ladder)trans-111109.1169-59.2-175.2000106.1V15 E77 E78 V80 L95 M98 L99 I102V15-I75 HydrophobicContact CG2-CG1 4.26Å; V15-I75 HydrophobicContact CG2-CG2 4.37Å; I75-E77 PolarHBondContact O-N 3.07Å; I75-E78 PolarHBondContact N-O 2.87Å; I75-E78 PolarHBondContact O-N 3.3Å; I75-V80 HydrophobicContact CB-CG1 4.19Å; I75-V80 HydrophobicContact CD1-CG1 3.92Å; I75-V80 HydrophobicContact CD1-CG2 4.21Å; I75-V80 HydrophobicContact CG1-CG1 3.91Å; I75-V80 HydrophobicContact CG1-CG2 4.11Å; I75-L95 HydrophobicContact CD1-CD1 3.51Å; I75-M98 HydrophobicContact CD1-CB 4.14Å; I75-M98 HydrophobicContact CD1-CE 4.18Å; I75-M98 HydrophobicContact CD1-SD 4.33Å; I75-M98 HydrophobicContact CG2-CB 4.29Å; I75-L99 HydrophobicContact CD1-CD2 4.17Å; I75-L99 HydrophobicContact CG2-CD2 4.33Å; I75-I102 HydrophobicContact CG2-CD1 3.6Å; I75-I102 HydrophobicContact CG2-CG1 4.14Å; I75-I102 HydrophobicContact CG2-CG2 4.22Å
76G96.9Very high97.6Very high2 Ų238.5 Ų38.52%0.02122%0.221CC..THydrogen-bonded Turntrans68.5-122.1-164.200000110.4R11 K14R11-G76 CarbonylContact O-C 3.6Å; R11-G76 VanDerWaalsContact O-CA 3.3Å; R11-G76 WeakPolarHBondContact O-CA 3.3Å; K14-G76 WeakPolarHBondContact O-CA 3.49Å; K14-G76 PolarHBondContact O-N 2.93Å
77E95.9Very high97.7Very high143 Ų14336.4 Ų36.467%0.66820%0.199SC*.THydrogen-bonded Turntrans-104.8-3.6177.5-65.2175.2-173.200112.6L10 I75L10-E77 HydrophobicContact CB-CG 4.37Å; I75-E77 PolarHBondContact O-N 3.07Å
78E96.7Very high97.8Very high134 Ų13439.7 Ų39.763%0.62621%0.213SC*.EExtended strand (participates in β ladder)trans-93.4130.1-178.5-173178.2171.800111.1F74 I75F74-E78 CarbonylContact C-O 3.56Å; F74-E78 VanDerWaalsContact CA-O 3.23Å; F74-E78 WeakPolarHBondContact CA-O 3.43Å; I75-E78 PolarHBondContact N-O 2.87Å; I75-E78 PolarHBondContact O-N 3.3Å
79C98.1Very high97.8Very high29 Ų2936.5 Ų36.520%0.19620%0.203CC..EExtended strand (participates in β ladder)trans-79.4124.2172.2-170.70000110.5T65 V73 F74 G81T65-C79 VanDerWaalsContact CB-SG 3.55Å; T65-C79 HydrophobicContact CG2-CB 3.64Å; T65-C79 WeakPolarHBondContact CG2-SG 3.33Å; V73-C79 WeakPolarHBondContact O-CA 3.35Å; V73-C79 PolarHBondContact O-SG 2.92Å; F74-C79 HydrophobicContact CD1-CB 3.84Å; F74-C79 HydrophobicContact CE1-CB 3.55Å; F74-C79 HydrophobicContact CG-CB 4.47Å; F74-C79 HydrophobicContact CZ-CB 3.95Å; C79-G81 PolarHBondContact SG-N 3.16Å; C79-G81 VanDerWaalsContact SG-N 3.41Å
80V97.8Very high97.9Very high21 Ų2134 Ų3413%0.12719%0.186CC..EExtended strand (participates in β ladder)trans-97.52.3177.3-58.80000113V73 I75 D85 V86 L89 M98V73-V80 HydrophobicContact CB-CG2 3.91Å; V73-V80 HydrophobicContact CG1-CG2 3.83Å; V73-V80 PolarHBondContact O-N 3.11Å; I75-V80 HydrophobicContact CB-CG1 4.19Å; I75-V80 HydrophobicContact CD1-CG1 3.92Å; I75-V80 HydrophobicContact CD1-CG2 4.21Å; I75-V80 HydrophobicContact CG1-CG1 3.91Å; I75-V80 HydrophobicContact CG1-CG2 4.11Å; V80-D85 VanDerWaalsContact O-CB 3.25Å; V80-D85 WeakPolarHBondContact O-CB 3.44Å; V80-V86 HydrophobicContact CG2-CG2 4.04Å; V80-L89 HydrophobicContact CB-CD1 3.91Å; V80-L89 HydrophobicContact CG1-CD1 4.47Å; V80-L89 HydrophobicContact CG2-CD1 4.33Å; V80-M98 HydrophobicContact CG1-CE 3.57Å
81G97.4Very high97.9Very high12 Ų1240.7 Ų40.712%0.12422%0.216CC..EExtended strand (participates in β ladder)trans108.9-142.3176.700000114.1V73 C79V73-G81 PolarHBondContact N-O 3.23Å; C79-G81 PolarHBondContact SG-N 3.16Å; C79-G81 VanDerWaalsContact SG-N 3.41Å
82G97.7Very high97.8Very high4 Ų443.7 Ų43.74%0.04124%0.237CC..SBendtrans-108.7-156.8-178.100000113.7P71 R72 D85 V86P71-G82 WeakPolarHBondContact O-CA 3.28Å; R72-G82 VanDerWaalsContact NH2-CA 3.33Å; G82-D85 PolarHBondContact N-OD2 2.68Å; G82-V86 WeakPolarHBondContact O-CG2 3.35Å; G82-V86 PolarHBondContact O-N 3.04Å; G82-V86 VanDerWaalsContact O-N 3.15Å
83G96.9Very high97.8Very high2 Ų245 Ų452%0.02126%0.257CS..Hα-helixtrans-72.4-37.3-17200000113.2Y25 A87Y25-G83 WeakPolarHBondContact O-CA 3.05Å; G83-A87 PolarHBondContact O-N 2.79Å; G83-A87 VanDerWaalsContact O-N 3.11Å
84S97.6Very high97.7Very high59 Ų5951.6 Ų51.641%0.41329%0.285SS..Hα-helixtrans-66.2-46173.9-62.10000111.3V86 A87 D88S84-V86 VanDerWaalsContact C-N 3.28Å; S84-V86 PolarHBondContact O-N 2.89Å; S84-A87 WeakPolarHBondContact O-CB 3.49Å; S84-A87 PolarHBondContact O-N 2.68Å; S84-D88 VanDerWaalsContact O-CG 3.3Å; S84-D88 PolarHBondContact O-N 2.94Å
85D98.3Very high97.7Very high77 Ų7751.4 Ų51.441%0.41228%0.284SS..Hα-helixtrans-59.4-40.3179.1-50.2-75.8000111.7V80 G82 D88 L89V80-D85 VanDerWaalsContact O-CB 3.25Å; V80-D85 WeakPolarHBondContact O-CB 3.44Å; G82-D85 PolarHBondContact N-OD2 2.68Å; D85-D88 PolarHBondContact O-N 3.13Å; D85-L89 WeakPolarHBondContact O-CB 3.46Å; D85-L89 VanDerWaalsContact O-CG 3.22Å; D85-L89 WeakPolarHBondContact O-CG 3.36Å; D85-L89 PolarHBondContact O-N 3.02Å
86V98.3Very high97.7Very high0 Ų055.4 Ų55.40%030%0.303CS..Hα-helixtrans-65.7-40.3174.9169.20000112.3V32 L33 V73 V80 G82 S84 L89 D90 L95V32-V86 HydrophobicContact CB-CG1 4.01Å; V32-V86 HydrophobicContact CG1-CG1 3.63Å; L33-V86 HydrophobicContact CD1-CG1 4.32Å; L33-V86 HydrophobicContact CG-CG1 4.16Å; V73-V86 HydrophobicContact CB-CG2 3.82Å; V73-V86 HydrophobicContact CG1-CG2 3.79Å; V73-V86 HydrophobicContact CG2-CG2 3.79Å; V80-V86 HydrophobicContact CG2-CG2 4.04Å; G82-V86 WeakPolarHBondContact O-CG2 3.35Å; G82-V86 PolarHBondContact O-N 3.04Å; G82-V86 VanDerWaalsContact O-N 3.15Å; S84-V86 VanDerWaalsContact C-N 3.28Å; S84-V86 PolarHBondContact O-N 2.89Å; V86-L89 PolarHBondContact O-N 3.46Å; V86-D90 PolarHBondContact O-N 3.02Å; V86-L95 HydrophobicContact CG1-CD2 4.26Å
87A98.3Very high97.7Very high16 Ų1657.1 Ų57.113%0.13232%0.32CS..Hα-helixtrans-64.2-43.8175.600000111.4T28 V32 G83 S84 L89 D90 E91T28-A87 HydrophobicContact CG2-CB 4.18Å; V32-A87 HydrophobicContact CG2-CB 4.36Å; G83-A87 PolarHBondContact O-N 2.79Å; G83-A87 VanDerWaalsContact O-N 3.11Å; S84-A87 WeakPolarHBondContact O-CB 3.49Å; S84-A87 PolarHBondContact O-N 2.68Å; A87-L89 VanDerWaalsContact C-N 3.32Å; A87-L89 PolarHBondContact O-N 3.4Å; A87-D90 WeakPolarHBondContact O-CB 3.47Å; A87-D90 PolarHBondContact O-N 3.1Å; A87-D90 VanDerWaalsContact O-N 3.16Å; A87-E91 WeakPolarHBondContact O-CG 3.48Å; A87-E91 PolarHBondContact O-N 3.37Å
88D98.5Very high97.8Very high95 Ų9552.9 Ų52.951%0.50830%0.301SS..Hα-helixtrans-64.1-37.3178.1-64.8-12000111.7S84 D85 S92S84-D88 VanDerWaalsContact O-CG 3.3Å; S84-D88 PolarHBondContact O-N 2.94Å; D85-D88 PolarHBondContact O-N 3.13Å; D88-S92 VanDerWaalsContact O-CB 3.32Å; D88-S92 WeakPolarHBondContact O-CB 3.4Å; D88-S92 PolarHBondContact O-N 2.97Å; D88-S92 PolarHBondContact O-OG 3.33Å
89L98.4Very high97.9Very high34 Ų3446.5 Ų46.518%0.17827%0.271CS..Hα-helixtrans-66.4-36.9174.3-73.2169.9000112.4V80 D85 V86 A87 S92 G93 K94 L95 M98V80-L89 HydrophobicContact CB-CD1 3.91Å; V80-L89 HydrophobicContact CG1-CD1 4.47Å; V80-L89 HydrophobicContact CG2-CD1 4.33Å; D85-L89 WeakPolarHBondContact O-CB 3.46Å; D85-L89 VanDerWaalsContact O-CG 3.22Å; D85-L89 WeakPolarHBondContact O-CG 3.36Å; D85-L89 PolarHBondContact O-N 3.02Å; V86-L89 PolarHBondContact O-N 3.46Å; A87-L89 VanDerWaalsContact C-N 3.32Å; A87-L89 PolarHBondContact O-N 3.4Å; L89-S92 WeakPolarHBondContact CA-OG 3.34Å; L89-S92 PolarHBondContact O-OG 3.47Å; L89-G93 PolarHBondContact O-N 3.28Å; L89-K94 HydrophobicContact CD2-CB 3.99Å; L89-K94 HydrophobicContact CD2-CD 4.32Å; L89-K94 PolarHBondContact O-N 3Å; L89-L95 HydrophobicContact CB-CB 3.97Å; L89-L95 WeakPolarHBondContact O-CB 3.46Å; L89-L95 PolarHBondContact O-N 2.73Å; L89-M98 HydrophobicContact CD1-SD 4.38Å; L89-M98 HydrophobicContact CD2-SD 4.32Å
90D98.3Very high97.9Very high29 Ų2950.5 Ų50.516%0.15529%0.287CS..Hα-helixtrans-66.5-50.3174.6-171.355.6000110.9V32 K35 Y36 V86 A87 S92 G93 L95V32-D90 HydrophobicContact CG1-CB 3.53Å; K35-D90 IonicContact NZ-OD2 3.34Å; K35-D90 PolarHBondContact NZ-OD2 3.16Å; Y36-D90 VanDerWaalsContact CE2-OD1 3.32Å; Y36-D90 WeakPolarHBondContact CE2-OD1 3.48Å; Y36-D90 VanDerWaalsContact CZ-OD1 3.3Å; Y36-D90 PolarHBondContact OH-OD1 3.15Å; V86-D90 PolarHBondContact O-N 3.02Å; A87-D90 WeakPolarHBondContact O-CB 3.47Å; A87-D90 PolarHBondContact O-N 3.1Å; A87-D90 VanDerWaalsContact O-N 3.16Å; D90-S92 VanDerWaalsContact C-N 3.28Å; D90-S92 PolarHBondContact O-N 3.33Å; D90-G93 PolarHBondContact O-N 3.5Å; D90-L95 HydrophobicContact CB-CD2 3.9Å
91E98Very high97.8Very high163 Ų16354.5 Ų54.576%0.76232%0.316SS*.Hα-helixtrans-61.8-35.9179.7-72.7-177.1-176.300112.5A87 G93A87-E91 WeakPolarHBondContact O-CG 3.48Å; A87-E91 PolarHBondContact O-N 3.37Å; E91-G93 VanDerWaalsContact C-N 3.27Å; E91-G93 PolarHBondContact O-N 2.94Å
92S97.8Very high97.8Very high67 Ų6755.7 Ų55.747%0.46932%0.319SS..THydrogen-bonded Turntrans-79.3-4.5175.962.70000114.4D88 L89 D90 K94D88-S92 VanDerWaalsContact O-CB 3.32Å; D88-S92 WeakPolarHBondContact O-CB 3.4Å; D88-S92 PolarHBondContact O-N 2.97Å; D88-S92 PolarHBondContact O-OG 3.33Å; L89-S92 WeakPolarHBondContact CA-OG 3.34Å; L89-S92 PolarHBondContact O-OG 3.47Å; D90-S92 VanDerWaalsContact C-N 3.28Å; D90-S92 PolarHBondContact O-N 3.33Å; S92-K94 PolarHBondContact O-N 3.41Å
93G96.7Very high97.8Very high46 Ų4656.9 Ų56.947%0.47433%0.331SS..THydrogen-bonded Turntrans71.52.8-176.800000114.7L89 D90 E91L89-G93 PolarHBondContact O-N 3.28Å; D90-G93 PolarHBondContact O-N 3.5Å; E91-G93 VanDerWaalsContact C-N 3.27Å; E91-G93 PolarHBondContact O-N 2.94Å
94K97.9Very high97.8Very high137 Ų13756.8 Ų56.860%0.59633%0.33SS*.Hα-helixtrans-73.1-32.5179.9-70.1179-178.7175.30112.1L89 S92 E96 G97 M98L89-K94 HydrophobicContact CD2-CB 3.99Å; L89-K94 HydrophobicContact CD2-CD 4.32Å; L89-K94 PolarHBondContact O-N 3Å; S92-K94 PolarHBondContact O-N 3.41Å; K94-E96 VanDerWaalsContact C-N 3.35Å; K94-E96 PolarHBondContact O-N 3.46Å; K94-G97 PolarHBondContact O-N 2.91Å; K94-M98 WeakPolarHBondContact O-CG 3.33Å; K94-M98 PolarHBondContact O-N 3.24Å; K94-M98 VanDerWaalsContact O-N 3.14Å
95L98.2Very high97.8Very high0 Ų055 Ų550%032%0.316CS..Hα-helixtrans-56.4-49.1-177.4-177.457.8000111.4V32 L33 Y36 I75 V86 L89 D90 G97 M98 L99V32-L95 HydrophobicContact CG1-CD2 3.58Å; L33-L95 HydrophobicContact CD2-CD1 4.37Å; L33-L95 HydrophobicContact CD2-CD2 4.2Å; Y36-L95 HydrophobicContact CE2-CD2 3.7Å; Y36-L95 HydrophobicContact CE2-CG 4.22Å; I75-L95 HydrophobicContact CD1-CD1 3.51Å; V86-L95 HydrophobicContact CG1-CD2 4.26Å; L89-L95 HydrophobicContact CB-CB 3.97Å; L89-L95 WeakPolarHBondContact O-CB 3.46Å; L89-L95 PolarHBondContact O-N 2.73Å; D90-L95 HydrophobicContact CB-CD2 3.9Å; L95-G97 VanDerWaalsContact C-N 3.31Å; L95-G97 PolarHBondContact O-N 2.77Å; L95-M98 WeakPolarHBondContact O-CB 3.14Å; L95-M98 PolarHBondContact O-N 2.96Å; L95-M98 VanDerWaalsContact O-N 3.1Å; L95-L99 HydrophobicContact CD1-CD1 4.31Å; L95-L99 HydrophobicContact CD1-CD2 4.43Å; L95-L99 HydrophobicContact CD1-CG 4.2Å; L95-L99 HydrophobicContact CG-CD1 4.03Å; L95-L99 HydrophobicContact CG-CG 4.34Å; L95-L99 VanDerWaalsContact O-CG 3.29Å; L95-L99 WeakPolarHBondContact O-CG 3.48Å; L95-L99 PolarHBondContact O-N 3.15Å
96E97.7Very high97.5Very high93 Ų9360.2 Ų60.244%0.43534%0.338SS..Hα-helixtrans-55.3-46.7179.5-170.8172.8-154.600112.1Y36 K94 M98 L99 Q100 L105Y36-E96 HydrophobicContact CE1-CB 3.77Å; Y36-E96 HydrophobicContact CE1-CG 3.97Å; K94-E96 VanDerWaalsContact C-N 3.35Å; K94-E96 PolarHBondContact O-N 3.46Å; E96-M98 VanDerWaalsContact C-N 3.31Å; E96-M98 PolarHBondContact O-N 3.04Å; E96-L99 PolarHBondContact O-N 3.2Å; E96-Q100 HydrophobicContact CG-CG 4.41Å; E96-Q100 WeakPolarHBondContact O-CG 3.13Å; E96-Q100 PolarHBondContact O-N 3.49Å; E96-L105 HydrophobicContact CG-CD1 4.29Å
97G97.8Very high97.4Very high38 Ų3863.2 Ų63.239%0.39236%0.355SS..Hα-helixtrans-60.8-39.2178.400000112.8K94 L95 Q100 S101K94-G97 PolarHBondContact O-N 2.91Å; L95-G97 VanDerWaalsContact C-N 3.31Å; L95-G97 PolarHBondContact O-N 2.77Å; G97-Q100 PolarHBondContact O-N 2.83Å; G97-S101 WeakPolarHBondContact O-CB 3.33Å; G97-S101 PolarHBondContact O-N 2.79Å
98M98.1Very high97.4Very high54 Ų5465.7 Ų65.727%0.26637%0.367SS..Hα-helixtrans-65.4-44.1175.6-62.7176.876.400111.5I75 V80 L89 K94 L95 E96 Q100 S101 I102I75-M98 HydrophobicContact CD1-CB 4.14Å; I75-M98 HydrophobicContact CD1-CE 4.18Å; I75-M98 HydrophobicContact CD1-SD 4.33Å; I75-M98 HydrophobicContact CG2-CB 4.29Å; V80-M98 HydrophobicContact CG1-CE 3.57Å; L89-M98 HydrophobicContact CD1-SD 4.38Å; L89-M98 HydrophobicContact CD2-SD 4.32Å; K94-M98 WeakPolarHBondContact O-CG 3.33Å; K94-M98 PolarHBondContact O-N 3.24Å; K94-M98 VanDerWaalsContact O-N 3.14Å; L95-M98 WeakPolarHBondContact O-CB 3.14Å; L95-M98 PolarHBondContact O-N 2.96Å; L95-M98 VanDerWaalsContact O-N 3.1Å; E96-M98 VanDerWaalsContact C-N 3.31Å; E96-M98 PolarHBondContact O-N 3.04Å; M98-Q100 PolarHBondContact O-N 3.43Å; M98-S101 WeakPolarHBondContact O-CB 3.42Å; M98-S101 PolarHBondContact O-N 2.97Å; M98-I102 PolarHBondContact O-N 3.45Å
99L98.2Very high97.3Very high0 Ų064.1 Ų64.10%036%0.359CS..Hα-helixtrans-64.6-38.8178.5-61.8178.3000112.2V15 Y36 F38 I75 L95 E96 I102 G103 A104 L105V15-L99 HydrophobicContact CG2-CD2 3.33Å; Y36-L99 HydrophobicContact CD1-CD1 3.9Å; Y36-L99 HydrophobicContact CD2-CD1 3.95Å; Y36-L99 HydrophobicContact CE1-CD1 4.23Å; Y36-L99 HydrophobicContact CE2-CD1 4.29Å; Y36-L99 HydrophobicContact CG-CD1 3.74Å; F38-L99 HydrophobicContact CE1-CD2 3.92Å; F38-L99 HydrophobicContact CZ-CD1 3.85Å; F38-L99 HydrophobicContact CZ-CD2 3.82Å; F38-L99 HydrophobicContact CZ-CG 4.43Å; I75-L99 HydrophobicContact CD1-CD2 4.17Å; I75-L99 HydrophobicContact CG2-CD2 4.33Å; L95-L99 HydrophobicContact CD1-CD1 4.31Å; L95-L99 HydrophobicContact CD1-CD2 4.43Å; L95-L99 HydrophobicContact CD1-CG 4.2Å; L95-L99 HydrophobicContact CG-CD1 4.03Å; L95-L99 HydrophobicContact CG-CG 4.34Å; L95-L99 VanDerWaalsContact O-CG 3.29Å; L95-L99 WeakPolarHBondContact O-CG 3.48Å; L95-L99 PolarHBondContact O-N 3.15Å; E96-L99 PolarHBondContact O-N 3.2Å; L99-I102 WeakPolarHBondContact O-CG1 3.29Å; L99-G103 PolarHBondContact O-N 2.93Å; L99-A104 PolarHBondContact O-N 2.94Å; L99-L105 HydrophobicContact CB-CD1 3.85Å; L99-L105 HydrophobicContact CB-CD2 3.94Å; L99-L105 HydrophobicContact CB-CG 3.72Å; L99-L105 HydrophobicContact CD1-CD2 4.08Å
100Q97.4Very high97.2Very high113 Ų11365.8 Ų65.853%0.52837%0.369SS..Hα-helixtrans-67-41.5173.5-71.4176.6-6.900111.6E96 G97 M98 I102 G103 L105E96-Q100 HydrophobicContact CG-CG 4.41Å; E96-Q100 WeakPolarHBondContact O-CG 3.13Å; E96-Q100 PolarHBondContact O-N 3.49Å; G97-Q100 PolarHBondContact O-N 2.83Å; M98-Q100 PolarHBondContact O-N 3.43Å; Q100-I102 VanDerWaalsContact C-N 3.27Å; Q100-I102 PolarHBondContact O-N 3.09Å; Q100-G103 WeakPolarHBondContact O-CA 2.91Å; Q100-G103 PolarHBondContact O-N 2.61Å; Q100-L105 HydrophobicContact CG-CD1 3.97Å
101S97.3Very high97.2Very high105 Ų10568.1 Ų68.173%0.73438%0.383SS*.Hα-helixtrans-60.4-35.8-179.2-173.80000112.8G97 M98 G103G97-S101 WeakPolarHBondContact O-CB 3.33Å; G97-S101 PolarHBondContact O-N 2.79Å; M98-S101 WeakPolarHBondContact O-CB 3.42Å; M98-S101 PolarHBondContact O-N 2.97Å; S101-G103 VanDerWaalsContact C-N 3.27Å
102I97.3Very high97.1Very high38 Ų3861.8 Ų61.820%0.19536%0.357CS..THydrogen-bonded Turntrans-86.71.4175.366.1160.2000113G12 V15 I75 M98 L99 Q100 A104G12-I102 WeakPolarHBondContact O-CB 3.13Å; V15-I102 HydrophobicContact CG2-CD1 4.12Å; I75-I102 HydrophobicContact CG2-CD1 3.6Å; I75-I102 HydrophobicContact CG2-CG1 4.14Å; I75-I102 HydrophobicContact CG2-CG2 4.22Å; M98-I102 PolarHBondContact O-N 3.45Å; L99-I102 WeakPolarHBondContact O-CG1 3.29Å; Q100-I102 VanDerWaalsContact C-N 3.27Å; Q100-I102 PolarHBondContact O-N 3.09Å; I102-A104 VanDerWaalsContact C-N 3.27Å; I102-A104 HydrophobicContact CD1-CB 3.65Å; I102-A104 HydrophobicContact CG1-CB 3.7Å; I102-A104 PolarHBondContact O-N 2.78Å
103G96.7Very high97.1Very high28 Ų2861.4 Ų61.429%0.28935%0.349SS..THydrogen-bonded Turntrans67.223.2-179.800000114.3K39 L99 Q100 S101K39-G103 WeakPolarHBondContact CD-O 3.16Å; K39-G103 PolarHBondContact NZ-O 3.45Å; L99-G103 PolarHBondContact O-N 2.93Å; Q100-G103 WeakPolarHBondContact O-CA 2.91Å; Q100-G103 PolarHBondContact O-N 2.61Å; S101-G103 VanDerWaalsContact C-N 3.27Å
104A97.1Very high97.1Very high0 Ų062.6 Ų62.60%034%0.34CS..  trans-78-21.4-174.700000114F38 K39 H42 L99 I102F38-A104 WeakPolarHBondContact CA-O 3.33Å; F38-A104 HydrophobicContact CD1-CB 3.98Å; F38-A104 HydrophobicContact CE1-CB 3.97Å; K39-A104 PolarHBondContact N-O 2.79Å; H42-A104 HydrophobicContact CB-CB 4.04Å; L99-A104 PolarHBondContact O-N 2.94Å; I102-A104 VanDerWaalsContact C-N 3.27Å; I102-A104 HydrophobicContact CD1-CB 3.65Å; I102-A104 HydrophobicContact CG1-CB 3.7Å; I102-A104 PolarHBondContact O-N 2.78Å
105L96.8Very high97Very high23 Ų2356.4 Ų56.412%0.1232%0.319CS..BIsolated β-bridgetrans-89.4156.3-178.5-56.5-172000113Y36 K37 F38 K39 E96 L99 Q100Y36-L105 HydrophobicContact CD1-CD1 4.13Å; K37-L105 WeakPolarHBondContact O-CA 3.47Å; F38-L105 HydrophobicContact CD1-CD2 4.2Å; F38-L105 HydrophobicContact CD2-CD2 4.41Å; F38-L105 HydrophobicContact CE1-CD2 4.2Å; F38-L105 HydrophobicContact CE2-CD2 4.41Å; F38-L105 HydrophobicContact CG-CD2 4.32Å; F38-L105 HydrophobicContact CZ-CD2 4.31Å; K39-L105 WeakPolarHBondContact CE-O 3.41Å; K39-L105 PolarHBondContact NZ-O 3.47Å; E96-L105 HydrophobicContact CG-CD1 4.29Å; L99-L105 HydrophobicContact CB-CD1 3.85Å; L99-L105 HydrophobicContact CB-CD2 3.94Å; L99-L105 HydrophobicContact CB-CG 3.72Å; L99-L105 HydrophobicContact CD1-CD2 4.08Å; Q100-L105 HydrophobicContact CG-CD1 3.97Å
106Q91.9Very high96.9Very high185 Ų18561.5 Ų61.586%0.86435%0.348SS*.  trans-73.80173.5-67.9-176.5-5.100112.8K37 F38 K39K37-Q106 HydrophobicContact CB-CB 4.34Å; K37-Q106 HydrophobicContact CB-CG 4.47Å; K37-Q106 PolarHBondContact O-N 3.48Å; F38-Q106 PolarHBondContact O-NE2 3.23Å; F38-Q106 VanDerWaalsContact O-NE2 3.14Å; K39-Q106 HydrophobicContact CG-CG 4.23Å

Retrieved 106 of 106 residues in 309.9 ms (Link to these results)

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