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N-acetylglucosaminyldiphosphoundecaprenol N-acetyl-beta-D-mannosaminyltransferase

Catalyzes the conversion of GlcNAc-PP-undecaprenol into ManNAc-GlcNAc-PP-undecaprenol, the first committed lipid intermediate in the de novo synthesis of teichoic acid.

AlphaFold DB (Q2G2L3), UniProt , Accession Q99VX9, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene tarA, Length 254 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
1M34Very low49.5Very low124 Ų124105.4 Ų105.461%0.61155%0.548SS*.  0121.70-79.9147.8108.400108.3E5 N37M1-E5 WeakPolarHBondContact CE-OE2 3.42Å; M1-E5 WeakPolarHBondContact CG-OE2 3.36Å; M1-N37 HydrophobicContact SD-CB 4.19Å; M1-N37 PolarHBondContact SD-ND2 3.4Å; M1-N37 PolarHBondContact SD-OD1 3.48Å
2T30.2Very low53.2Low90 Ų9097.2 Ų97.255%0.55251%0.506SS*.  trans-72.4163.4-179.148.40000109.9E4 E5T2-E4 PolarHBondContact O-N 3.46Å; T2-E4 PolarHBondContact OG1-OE2 3.29Å; T2-E5 PolarHBondContact O-N 3.34Å
3V39.6Very low56.4Low98 Ų9895.7 Ų95.759%0.59450%0.499SS*.THydrogen-bonded Turntrans-53.8-7.6170.7175.20000112.7R6V3-R6 WeakPolarHBondContact O-CG 3.47Å
4E36.7Very low59.1Low169 Ų16988.9 Ų88.979%0.7946%0.464SS*.THydrogen-bonded Turntrans-77.9-19.6-179-68.2172.4138.500114.7T2 R6T2-E4 PolarHBondContact O-N 3.46Å; T2-E4 PolarHBondContact OG1-OE2 3.29Å; E4-R6 PolarHBondContact O-N 3.18Å; E4-R6 VanDerWaalsContact O-N 3.12Å
5E38Very low61.5Low132 Ų13285.5 Ų85.562%0.61745%0.446SS*.  trans-87.447.6167.2-76.4-178.7158.800110.9M1 T2 S7M1-E5 WeakPolarHBondContact CE-OE2 3.42Å; M1-E5 WeakPolarHBondContact CG-OE2 3.36Å; T2-E5 PolarHBondContact O-N 3.34Å; E5-S7 PolarHBondContact O-N 3.29Å
6R45.7Very low63.6Low168 Ų16881.7 Ų81.763%0.63443%0.434SS*.  trans-52.8112156.5-78.9177.3-173.8-161.1-1.6105.3V3 E4 N8V3-R6 WeakPolarHBondContact O-CG 3.47Å; E4-R6 PolarHBondContact O-N 3.18Å; E4-R6 VanDerWaalsContact O-N 3.12Å; R6-N8 PolarHBondContact O-N 3.03Å
7S44.1Very low65.5Low49 Ų4976.9 Ų76.934%0.34341%0.409SS..  trans-45.5118.9157.286.80000104.2E5 T9E5-S7 PolarHBondContact O-N 3.29Å; S7-T9 PolarHBondContact O-N 3.14Å; S7-T9 PolarHBondContact O-OG1 3.44Å
8N44.9Very low67.2Low163 Ų16376.1 Ų76.187%0.87241%0.405SS*.  trans-70.360.5-167.9-167.314.7000109.9R6 A10R6-N8 PolarHBondContact O-N 3.03Å; N8-A10 PolarHBondContact O-N 3.26Å
9T59.4Low68.8Low24 Ų2472.1 Ų72.115%0.14738%0.383CS..  trans-79.5103.2172.845.40000105.3S7 K11 N21S7-T9 PolarHBondContact O-N 3.14Å; S7-T9 PolarHBondContact O-OG1 3.44Å; T9-K11 PolarHBondContact O-N 3.14Å; T9-K11 VanDerWaalsContact O-N 3.11Å; T9-N21 WeakPolarHBondContact CG2-O 3.47Å
10A81.5Confident70.1Confident65 Ų6569 Ų6954%0.53737%0.367SS..  trans-45.9121.6177.100000110N8 N21N8-A10 PolarHBondContact O-N 3.26Å; A10-N21 WeakPolarHBondContact O-CB 3.26Å; A10-N21 PolarHBondContact O-N 3.33Å
11K90.8Very high71.2Confident77 Ų7768 Ų6834%0.33536%0.362SS..EExtended strand (participates in β ladder)trans-66.8146174.7-69.4-69.2-161.3169.30109.8T9 D18 F19 D20T9-K11 PolarHBondContact O-N 3.14Å; T9-K11 VanDerWaalsContact O-N 3.11Å; K11-D18 HydrophobicContact CD-CB 4.3Å; K11-D18 WeakPolarHBondContact CD-O 3.44Å; K11-D18 PolarHBondContact NZ-O 3.41Å; K11-F19 CarbonylContact C-O 3.59Å; K11-F19 VanDerWaalsContact CA-O 3.3Å; K11-F19 WeakPolarHBondContact CA-O 3.35Å; K11-D20 WeakPolarHBondContact CD-OD1 3.32Å; K11-D20 WeakPolarHBondContact CE-OD1 3.34Å; K11-D20 IonicContact NZ-OD1 2.8Å; K11-D20 PolarHBondContact NZ-OD1 2.99Å; K11-D20 IonicContact NZ-OD2 2.74Å; K11-D20 PolarHBondContact NZ-OD2 3.45Å
12V93.4Very high74Confident7 Ų762.3 Ų62.34%0.04233%0.334CS..EExtended strand (participates in β ladder)trans-122.2104.8179.7177.60000108.7I14 F19 N21 Q88 L90V12-I14 HydrophobicContact CG1-CD1 4.26Å; V12-I14 HydrophobicContact CG1-CG1 4.05Å; V12-I14 PolarHBondContact O-N 3.08Å; V12-F19 HydrophobicContact CB-CB 4.41Å; V12-F19 PolarHBondContact N-O 3.43Å; V12-F19 PolarHBondContact O-N 2.94Å; V12-F19 VanDerWaalsContact O-N 3.1Å; V12-N21 HydrophobicContact CG2-CB 4.07Å; V12-Q88 HydrophobicContact CG1-CB 4.06Å; V12-Q88 HydrophobicContact CG1-CG 4.01Å; V12-Q88 WeakPolarHBondContact CG1-O 3.36Å; V12-L90 HydrophobicContact CB-CD2 3.82Å; V12-L90 HydrophobicContact CB-CG 4.15Å; V12-L90 HydrophobicContact CG1-CD2 4.28Å; V12-L90 HydrophobicContact CG1-CG 4.04Å; V12-L90 HydrophobicContact CG2-CD2 3.75Å; V12-L90 HydrophobicContact CG2-CG 4.24Å
13D94.7Very high77.1Confident78 Ų7859.6 Ų59.642%0.41732%0.317SS..EExtended strand (participates in β ladder)trans-72.7110.2178.9169.16.4000111.7L15 G16 V17 Q88D13-L15 PolarHBondContact OD1-N 3.11Å; D13-G16 VanDerWaalsContact OD1-CA 3.3Å; D13-G16 WeakPolarHBondContact OD1-CA 3.32Å; D13-G16 PolarHBondContact OD1-N 2.84Å; D13-V17 WeakPolarHBondContact CA-O 3.42Å; D13-Q88 VanDerWaalsContact C-NE2 3.28Å; D13-Q88 PolarHBondContact O-NE2 3.3Å
14I94.7Very high79.7Confident0 Ų056.9 Ų56.90%030%0.299CS..EExtended strand (participates in β ladder)trans-113.895.1171.7-53.6173.1000109.1V12 G16 V17 F19 V53 V79 A82 L86 L90 F239 I243V12-I14 HydrophobicContact CG1-CD1 4.26Å; V12-I14 HydrophobicContact CG1-CG1 4.05Å; V12-I14 PolarHBondContact O-N 3.08Å; I14-G16 VanDerWaalsContact C-N 3.34Å; I14-V17 PolarHBondContact N-O 3.5Å; I14-V17 PolarHBondContact O-N 3.41Å; I14-F19 HydrophobicContact CB-CD2 4Å; I14-F19 HydrophobicContact CB-CE2 3.93Å; I14-F19 HydrophobicContact CD1-CD2 3.74Å; I14-F19 HydrophobicContact CD1-CE2 4.01Å; I14-F19 HydrophobicContact CD1-CG 4.39Å; I14-F19 HydrophobicContact CG1-CD2 3.98Å; I14-F19 HydrophobicContact CG1-CE2 4.32Å; I14-V53 HydrophobicContact CG2-CG1 4.41Å; I14-V53 VanDerWaalsContact O-CG1 3.28Å; I14-V53 WeakPolarHBondContact O-CG1 3.39Å; I14-V79 HydrophobicContact CD1-CG1 3.48Å; I14-V79 VanDerWaalsContact CD1-CG1 3.48Å; I14-A82 HydrophobicContact CG2-CB 4.15Å; I14-L86 HydrophobicContact CG1-CD1 4.49Å; I14-L86 HydrophobicContact CG2-CD1 4.25Å; I14-L90 HydrophobicContact CD1-CD1 3.75Å; I14-F239 HydrophobicContact CG2-CE2 4.42Å; I14-F239 HydrophobicContact CG2-CZ 4.26Å; I14-I243 HydrophobicContact CG2-CD1 3.75Å
15L94.4Very high82.6Confident38 Ų3854.9 Ų54.920%0.19929%0.293CS..THydrogen-bonded Turntrans61.438.9178.6-54.8174.3000113.2D13 V53 T57 F239 K242 I243 A246D13-L15 PolarHBondContact OD1-N 3.11Å; L15-V53 HydrophobicContact CB-CG1 4.13Å; L15-V53 HydrophobicContact CD1-CG1 4.26Å; L15-T57 HydrophobicContact CB-CG2 3.63Å; L15-T57 HydrophobicContact CD1-CG2 4.08Å; L15-T57 HydrophobicContact CG-CG2 4.45Å; L15-F239 HydrophobicContact CD1-CD2 4.04Å; L15-F239 HydrophobicContact CD1-CE2 3.93Å; L15-K242 HydrophobicContact CD1-CB 3.72Å; L15-K242 HydrophobicContact CD1-CD 4.5Å; L15-K242 HydrophobicContact CD2-CB 4.29Å; L15-I243 HydrophobicContact CD1-CD1 3.7Å; L15-I243 HydrophobicContact CD1-CG1 4.26Å; L15-I243 HydrophobicContact CD2-CD1 4.12Å; L15-I243 HydrophobicContact CG-CD1 3.7Å; L15-A246 HydrophobicContact CD2-CB 3.77Å
16G94.9Very high85.3Confident25 Ų2552.7 Ų52.726%0.25828%0.282SS..THydrogen-bonded Turntrans94.9-11.2-179.400000114.1D13 I14 L63 N67D13-G16 VanDerWaalsContact OD1-CA 3.3Å; D13-G16 WeakPolarHBondContact OD1-CA 3.32Å; D13-G16 PolarHBondContact OD1-N 2.84Å; I14-G16 VanDerWaalsContact C-N 3.34Å; G16-L63 WeakPolarHBondContact O-CD1 3.25Å; G16-N67 PolarHBondContact O-ND2 3.18Å
17V96.9Very high87.7Confident0 Ų044.7 Ų44.70%025%0.252CS..EExtended strand (participates in β ladder)trans-90.4121.3-179.7-176.40000109.8D13 I14 F19 V53 A56 L63 I66 I72D13-V17 WeakPolarHBondContact CA-O 3.42Å; I14-V17 PolarHBondContact N-O 3.5Å; I14-V17 PolarHBondContact O-N 3.41Å; V17-F19 HydrophobicContact CB-CD2 4.19Å; V17-F19 HydrophobicContact CB-CE2 3.74Å; V17-F19 HydrophobicContact CG1-CD2 3.9Å; V17-F19 HydrophobicContact CG1-CE2 3.47Å; V17-F19 VanDerWaalsContact CG1-CE2 3.47Å; V17-F19 HydrophobicContact CG1-CZ 3.91Å; V17-F19 WeakPolarHBondContact O-CD2 3.23Å; V17-F19 PolarHBondContact O-N 3.27Å; V17-V53 HydrophobicContact CB-CG2 4.5Å; V17-V53 HydrophobicContact CG2-CB 4.41Å; V17-V53 HydrophobicContact CG2-CG1 4.02Å; V17-V53 HydrophobicContact CG2-CG2 4.23Å; V17-A56 HydrophobicContact CG2-CB 4.21Å; V17-L63 HydrophobicContact CG2-CD1 3.65Å; V17-I66 HydrophobicContact CG1-CD1 4.01Å; V17-I66 HydrophobicContact CG2-CD1 3.95Å; V17-I72 HydrophobicContact CG1-CD1 4.04Å; V17-I72 HydrophobicContact CG1-CG2 3.91Å
18D96Very high90.3Very high63 Ų6343.1 Ų43.134%0.33724%0.24SC..EExtended strand (participates in β ladder)trans-90.178.7-172.9-70.1-36000112.6K11 N67K11-D18 HydrophobicContact CD-CB 4.3Å; K11-D18 WeakPolarHBondContact CD-O 3.44Å; K11-D18 PolarHBondContact NZ-O 3.41Å; D18-N67 PolarHBondContact N-OD1 3.01Å; D18-N67 VanDerWaalsContact N-OD1 3.1Å
19F97Very high92.7Very high0 Ų039.2 Ų39.20%022%0.217CC..EExtended strand (participates in β ladder)trans-66.4139.2179.9-73.9-90.6000112.6K11 V12 I14 V17 A48 V53 I72 A74 V79 L90K11-F19 CarbonylContact C-O 3.59Å; K11-F19 VanDerWaalsContact CA-O 3.3Å; K11-F19 WeakPolarHBondContact CA-O 3.35Å; V12-F19 HydrophobicContact CB-CB 4.41Å; V12-F19 PolarHBondContact N-O 3.43Å; V12-F19 PolarHBondContact O-N 2.94Å; V12-F19 VanDerWaalsContact O-N 3.1Å; I14-F19 HydrophobicContact CB-CD2 4Å; I14-F19 HydrophobicContact CB-CE2 3.93Å; I14-F19 HydrophobicContact CD1-CD2 3.74Å; I14-F19 HydrophobicContact CD1-CE2 4.01Å; I14-F19 HydrophobicContact CD1-CG 4.39Å; I14-F19 HydrophobicContact CG1-CD2 3.98Å; I14-F19 HydrophobicContact CG1-CE2 4.32Å; V17-F19 HydrophobicContact CB-CD2 4.19Å; V17-F19 HydrophobicContact CB-CE2 3.74Å; V17-F19 HydrophobicContact CG1-CD2 3.9Å; V17-F19 HydrophobicContact CG1-CE2 3.47Å; V17-F19 VanDerWaalsContact CG1-CE2 3.47Å; V17-F19 HydrophobicContact CG1-CZ 3.91Å; V17-F19 WeakPolarHBondContact O-CD2 3.23Å; V17-F19 PolarHBondContact O-N 3.27Å; F19-A48 HydrophobicContact CE1-CB 3.56Å; F19-A48 HydrophobicContact CZ-CB 3.54Å; F19-V53 HydrophobicContact CE2-CG2 3.73Å; F19-V53 HydrophobicContact CZ-CG2 3.54Å; F19-I72 CarbonylContact C-O 3.53Å; F19-I72 WeakPolarHBondContact CA-O 3.36Å; F19-I72 HydrophobicContact CD1-CG2 3.87Å; F19-I72 HydrophobicContact CE1-CG2 3.91Å; F19-I72 HydrophobicContact CG-CG2 4.36Å; F19-I72 HydrophobicContact CZ-CG2 4.42Å; F19-A74 HydrophobicContact CD1-CB 4.05Å; F19-A74 HydrophobicContact CE1-CB 4.13Å; F19-V79 HydrophobicContact CD1-CG1 4.12Å; F19-V79 HydrophobicContact CD2-CG1 4.24Å; F19-V79 HydrophobicContact CE1-CG1 3.63Å; F19-V79 HydrophobicContact CE2-CG1 3.77Å; F19-V79 HydrophobicContact CG-CG1 4.4Å; F19-V79 HydrophobicContact CZ-CB 4.47Å; F19-V79 HydrophobicContact CZ-CG1 3.44Å; F19-V79 VanDerWaalsContact CZ-CG1 3.44Å; F19-V79 HydrophobicContact CZ-CG2 4.19Å; F19-L90 HydrophobicContact CB-CD1 4.04Å; F19-L90 HydrophobicContact CB-CD2 3.95Å; F19-L90 HydrophobicContact CD1-CD1 4.36Å; F19-L90 HydrophobicContact CG-CD1 4.14Å
20D95.8Very high94.5Very high10 Ų1039.5 Ų39.55%0.05322%0.218CC..EExtended strand (participates in β ladder)trans-77.5125168.4-65.4-77.3000110.5K11 T22 Y71 I72K11-D20 WeakPolarHBondContact CD-OD1 3.32Å; K11-D20 WeakPolarHBondContact CE-OD1 3.34Å; K11-D20 IonicContact NZ-OD1 2.8Å; K11-D20 PolarHBondContact NZ-OD1 2.99Å; K11-D20 IonicContact NZ-OD2 2.74Å; K11-D20 PolarHBondContact NZ-OD2 3.45Å; D20-T22 VanDerWaalsContact C-N 3.25Å; D20-T22 HydrophobicContact CB-CG2 4.05Å; D20-T22 PolarHBondContact O-N 2.82Å; D20-Y71 HydrophobicContact CB-CD1 4.24Å; D20-Y71 VanDerWaalsContact OD2-CA 3.28Å; D20-Y71 WeakPolarHBondContact OD2-CA 3.27Å; D20-I72 PolarHBondContact N-O 2.99Å; D20-I72 PolarHBondContact OD2-N 3.17Å
21N93.6Very high95.2Very high48 Ų4836.4 Ų36.426%0.25719%0.192SC..  trans-79.679.6172.4-164.58.4000110.3T9 A10 V12 P89 L90 A91T9-N21 WeakPolarHBondContact CG2-O 3.47Å; A10-N21 WeakPolarHBondContact O-CB 3.26Å; A10-N21 PolarHBondContact O-N 3.33Å; V12-N21 HydrophobicContact CG2-CB 4.07Å; N21-P89 PolarHBondContact ND2-O 2.98Å; N21-L90 HydrophobicContact CB-CD2 4.1Å; N21-A91 PolarHBondContact OD1-N 3.49Å
22T92.8Very high95.5Very high4 Ų437 Ų373%0.02520%0.195CC..  trans-129.5165.3-174.9-171.30000111.4D20 Q26 M27 V73 I94D20-T22 VanDerWaalsContact C-N 3.25Å; D20-T22 HydrophobicContact CB-CG2 4.05Å; D20-T22 PolarHBondContact O-N 2.82Å; T22-Q26 VanDerWaalsContact OG1-CB 3.28Å; T22-Q26 WeakPolarHBondContact OG1-CB 3.43Å; T22-M27 HydrophobicContact CG2-CG 3.62Å; T22-M27 HydrophobicContact CG2-SD 3.73Å; T22-V73 HydrophobicContact CG2-CG1 3.99Å; T22-I94 HydrophobicContact CG2-CD1 3.72Å
23T94.1Very high95.7Very high33 Ų3339.7 Ų39.720%0.20221%0.211CC..  trans-107.2164.4174.566.10000110.1L25 Q26 M27 H92T23-L25 PolarHBondContact O-N 3.07Å; T23-Q26 PolarHBondContact O-N 2.9Å; T23-Q26 WeakPolarHBondContact OG1-CB 3.25Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.31Å; T23-Q26 PolarHBondContact OG1-N 2.75Å; T23-Q26 VanDerWaalsContact OG1-N 3.12Å; T23-Q26 PolarHBondContact OG1-OE1 3.24Å; T23-M27 PolarHBondContact O-N 3.27Å; T23-H92 WeakPolarHBondContact CG2-CD2 3.32Å
24M95.3Very high95.7Very high42 Ų4236.9 Ų36.921%0.20720%0.195CC..Hα-helixtrans-55.9-42.2172.3-176.76479.500111.4M27 V28 I94 E98 L99 E102M24-M27 PolarHBondContact O-N 3.42Å; M24-V28 WeakPolarHBondContact O-CG2 3.31Å; M24-V28 PolarHBondContact O-N 3.36Å; M24-I94 HydrophobicContact CE-CG2 3.63Å; M24-I94 HydrophobicContact SD-CG2 4.01Å; M24-E98 HydrophobicContact CE-CB 3.67Å; M24-L99 HydrophobicContact CE-CB 4.13Å; M24-L99 HydrophobicContact SD-CB 4.16Å; M24-L99 HydrophobicContact SD-CD1 3.78Å; M24-E102 HydrophobicContact CG-CG 4.26Å; M24-E102 HydrophobicContact SD-CG 4.01Å
25L95.9Very high95.8Very high127 Ų12738.9 Ų38.967%0.66520%0.204SC*.Hα-helixtrans-63.1-45.8-178.8-129.6172.9000111.3T23 V28 E29T23-L25 PolarHBondContact O-N 3.07Å; L25-V28 PolarHBondContact O-N 3.28Å; L25-E29 HydrophobicContact CD2-CG 4.44Å; L25-E29 PolarHBondContact O-N 3.45Å
26Q95.8Very high95.9Very high86 Ų8640.7 Ų40.740%0.40222%0.224SC..Hα-helixtrans-64.1-41175.9-74.5165.4-44.200112.1T22 T23 V28 E29 N30T22-Q26 VanDerWaalsContact OG1-CB 3.28Å; T22-Q26 WeakPolarHBondContact OG1-CB 3.43Å; T23-Q26 PolarHBondContact O-N 2.9Å; T23-Q26 WeakPolarHBondContact OG1-CB 3.25Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.31Å; T23-Q26 PolarHBondContact OG1-N 2.75Å; T23-Q26 VanDerWaalsContact OG1-N 3.12Å; T23-Q26 PolarHBondContact OG1-OE1 3.24Å; Q26-V28 VanDerWaalsContact C-N 3.32Å; Q26-V28 PolarHBondContact O-N 2.69Å; Q26-E29 PolarHBondContact O-N 2.75Å; Q26-N30 WeakPolarHBondContact O-CB 3.44Å; Q26-N30 PolarHBondContact O-N 3.38Å; Q26-N30 PolarHBondContact O-OD1 3.11Å
27M96.4Very high95.8Very high0 Ų042.1 Ų42.10%023%0.226CC..Hα-helixtrans-60.2-42.7175-79.4-56.5-59.100112.3T22 T23 M24 N30 I31 I45 Y71 V73 I94 L99T22-M27 HydrophobicContact CG2-CG 3.62Å; T22-M27 HydrophobicContact CG2-SD 3.73Å; T23-M27 PolarHBondContact O-N 3.27Å; M24-M27 PolarHBondContact O-N 3.42Å; M27-N30 PolarHBondContact O-N 2.66Å; M27-I31 WeakPolarHBondContact O-CD1 3.45Å; M27-I31 VanDerWaalsContact O-CG1 3.32Å; M27-I31 WeakPolarHBondContact O-CG1 3.4Å; M27-I31 PolarHBondContact O-N 2.88Å; M27-I45 HydrophobicContact CE-CD1 3.92Å; M27-I45 HydrophobicContact CE-CG1 4.36Å; M27-I45 HydrophobicContact CE-CG2 4.41Å; M27-Y71 HydrophobicContact CE-CD1 4.22Å; M27-Y71 HydrophobicContact CE-CD2 3.78Å; M27-Y71 HydrophobicContact CE-CE2 4.39Å; M27-Y71 HydrophobicContact CE-CG 3.69Å; M27-Y71 HydrophobicContact SD-CD1 3.71Å; M27-Y71 HydrophobicContact SD-CD2 4.31Å; M27-Y71 HydrophobicContact SD-CE1 4.13Å; M27-Y71 HydrophobicContact SD-CG 3.82Å; M27-V73 HydrophobicContact CE-CG1 4.2Å; M27-V73 HydrophobicContact CG-CG1 3.99Å; M27-V73 HydrophobicContact SD-CG1 3.87Å; M27-I94 HydrophobicContact CG-CD1 3.89Å; M27-L99 HydrophobicContact CB-CD1 4.05Å; M27-L99 HydrophobicContact CE-CD2 4.45Å
28V97.4Very high95.1Very high15 Ų1550.2 Ų50.29%0.09126%0.264CS..Hα-helixtrans-61-46.8176.3165.50000111.4M24 L25 Q26 I31 K32 E102 I106M24-V28 WeakPolarHBondContact O-CG2 3.31Å; M24-V28 PolarHBondContact O-N 3.36Å; L25-V28 PolarHBondContact O-N 3.28Å; Q26-V28 VanDerWaalsContact C-N 3.32Å; Q26-V28 PolarHBondContact O-N 2.69Å; V28-I31 PolarHBondContact O-N 2.86Å; V28-K32 HydrophobicContact CG1-CD 4.49Å; V28-K32 WeakPolarHBondContact O-CG 3.44Å; V28-K32 PolarHBondContact O-N 3.15Å; V28-E102 HydrophobicContact CG2-CB 3.58Å; V28-E102 HydrophobicContact CG2-CG 3.9Å; V28-I106 HydrophobicContact CG1-CD1 4.18Å
29E97Very high94.7Very high82 Ų8248.3 Ų48.338%0.38326%0.255SS..Hα-helixtrans-64.2-41.7176.8-67.6-53.7121.800111.8L25 Q26 I31 K32 T33L25-E29 HydrophobicContact CD2-CG 4.44Å; L25-E29 PolarHBondContact O-N 3.45Å; Q26-E29 PolarHBondContact O-N 2.75Å; E29-I31 VanDerWaalsContact C-N 3.31Å; E29-I31 PolarHBondContact O-N 3.39Å; E29-K32 WeakPolarHBondContact O-CB 3.25Å; E29-K32 PolarHBondContact O-N 2.87Å; E29-K32 VanDerWaalsContact O-N 3.12Å; E29-K32 IonicContact OE1-NZ 3.15Å; E29-K32 PolarHBondContact OE1-NZ 3.35Å; E29-T33 PolarHBondContact O-N 3.34Å; E29-T33 PolarHBondContact O-OG1 2.93Å
30N95.6Very high94.4Very high30 Ų3052.5 Ų52.516%0.1628%0.281CS..Hα-helixtrans-60.5-39.4176.5-69.5-6.5000112.1Q26 M27 F34 Y71Q26-N30 WeakPolarHBondContact O-CB 3.44Å; Q26-N30 PolarHBondContact O-N 3.38Å; Q26-N30 PolarHBondContact O-OD1 3.11Å; M27-N30 PolarHBondContact O-N 2.66Å; N30-F34 WeakPolarHBondContact O-CB 3.38Å; N30-F34 PolarHBondContact O-N 3.08Å; N30-Y71 HydrophobicContact CB-CE2 4.41Å; N30-Y71 PolarHBondContact ND2-OH 3.21Å
31I97.4Very high94.3Very high0 Ų056 Ų560%030%0.3CS..Hα-helixtrans-67.2-40.2175.3-70.2157.6000111.1M27 V28 E29 F34 F35 L43 I45 L99 C103 I106 Y165 V190M27-I31 WeakPolarHBondContact O-CD1 3.45Å; M27-I31 VanDerWaalsContact O-CG1 3.32Å; M27-I31 WeakPolarHBondContact O-CG1 3.4Å; M27-I31 PolarHBondContact O-N 2.88Å; V28-I31 PolarHBondContact O-N 2.86Å; E29-I31 VanDerWaalsContact C-N 3.31Å; E29-I31 PolarHBondContact O-N 3.39Å; I31-F34 WeakPolarHBondContact O-CB 3.48Å; I31-F34 PolarHBondContact O-N 3.43Å; I31-F35 HydrophobicContact CG2-CD2 4.17Å; I31-F35 HydrophobicContact CG2-CE2 3.86Å; I31-F35 VanDerWaalsContact O-CD2 3.24Å; I31-F35 WeakPolarHBondContact O-CD2 3.35Å; I31-F35 PolarHBondContact O-N 3.14Å; I31-L43 HydrophobicContact CG1-CD2 3.83Å; I31-I45 HydrophobicContact CD1-CD1 4.03Å; I31-I45 HydrophobicContact CG1-CD1 4.27Å; I31-L99 HydrophobicContact CD1-CD1 4.1Å; I31-C103 VanDerWaalsContact CD1-SG 3.58Å; I31-I106 HydrophobicContact CB-CD1 4.16Å; I31-I106 HydrophobicContact CG2-CD1 3.75Å; I31-Y165 HydrophobicContact CG2-CE1 4.31Å; I31-V190 HydrophobicContact CG2-CG2 4.35Å
32K97.3Very high94.5Very high89 Ų8954.9 Ų54.939%0.38729%0.294SS..Hα-helixtrans-63.7-46.3174.8-69173-174.7169.50111.5V28 E29 F34 F35 A36 I106V28-K32 HydrophobicContact CG1-CD 4.49Å; V28-K32 WeakPolarHBondContact O-CG 3.44Å; V28-K32 PolarHBondContact O-N 3.15Å; E29-K32 WeakPolarHBondContact O-CB 3.25Å; E29-K32 PolarHBondContact O-N 2.87Å; E29-K32 VanDerWaalsContact O-N 3.12Å; E29-K32 IonicContact OE1-NZ 3.15Å; E29-K32 PolarHBondContact OE1-NZ 3.35Å; K32-F34 VanDerWaalsContact C-N 3.28Å; K32-F34 PolarHBondContact O-N 2.9Å; K32-F35 PolarHBondContact O-N 2.76Å; K32-A36 WeakPolarHBondContact O-CB 3.35Å; K32-A36 PolarHBondContact O-N 3.24Å; K32-I106 HydrophobicContact CG-CD1 4.04Å; K32-I106 HydrophobicContact CG-CG1 4.3Å; K32-I106 HydrophobicContact CG-CG2 4.37Å
33T96.1Very high94.7Very high63 Ų6355.5 Ų55.539%0.38730%0.297SS..Hα-helixtrans-60.3-39.3176.4-630000111.3E29 F35 A36 N37E29-T33 PolarHBondContact O-N 3.34Å; E29-T33 PolarHBondContact O-OG1 2.93Å; T33-F35 PolarHBondContact O-N 3.4Å; T33-A36 PolarHBondContact O-N 3.04Å; T33-N37 WeakPolarHBondContact CG2-ND2 3.41Å; T33-N37 WeakPolarHBondContact O-CB 3.32Å; T33-N37 PolarHBondContact O-N 3.13Å; T33-N37 PolarHBondContact O-ND2 3.37Å; T33-N37 PolarHBondContact O-OD1 3.06Å
34F96.3Very high94.9Very high20 Ų2054 Ų549%0.08829%0.288CS..Hα-helixtrans-53.3-51.2174.1165.8-100.1000112.2N30 I31 K32 N37 N41 L43 V190N30-F34 WeakPolarHBondContact O-CB 3.38Å; N30-F34 PolarHBondContact O-N 3.08Å; I31-F34 WeakPolarHBondContact O-CB 3.48Å; I31-F34 PolarHBondContact O-N 3.43Å; K32-F34 VanDerWaalsContact C-N 3.28Å; K32-F34 PolarHBondContact O-N 2.9Å; F34-N37 PolarHBondContact O-N 3.23Å; F34-N41 WeakPolarHBondContact CE2-O 3.4Å; F34-N41 WeakPolarHBondContact CZ-O 3.26Å; F34-L43 HydrophobicContact CB-CD2 4.44Å; F34-L43 HydrophobicContact CD1-CB 4.32Å; F34-L43 HydrophobicContact CD2-CB 3.95Å; F34-L43 HydrophobicContact CD2-CD1 4.31Å; F34-L43 HydrophobicContact CE1-CB 4.22Å; F34-L43 HydrophobicContact CE2-CB 3.82Å; F34-L43 HydrophobicContact CG-CB 4.18Å; F34-L43 HydrophobicContact CG-CD2 4.35Å; F34-L43 HydrophobicContact CZ-CB 3.96Å; F34-V190 HydrophobicContact CD1-CG2 3.77Å; F34-V190 HydrophobicContact CE1-CG2 3.67Å
35F96.3Very high95Very high42 Ų4252 Ų5218%0.18428%0.278CS..Hα-helixtrans-68.6-37.2177.2-71.7-65.9000112.9I31 K32 T33 N37 Q38 Q112 D164 Y165 V190I31-F35 HydrophobicContact CG2-CD2 4.17Å; I31-F35 HydrophobicContact CG2-CE2 3.86Å; I31-F35 VanDerWaalsContact O-CD2 3.24Å; I31-F35 WeakPolarHBondContact O-CD2 3.35Å; I31-F35 PolarHBondContact O-N 3.14Å; K32-F35 PolarHBondContact O-N 2.76Å; T33-F35 PolarHBondContact O-N 3.4Å; F35-N37 VanDerWaalsContact C-N 3.29Å; F35-N37 PolarHBondContact O-N 3.23Å; F35-Q38 PolarHBondContact O-N 2.9Å; F35-Q112 VanDerWaalsContact CD1-NE2 3.3Å; F35-D164 HydrophobicContact CE1-CB 3.93Å; F35-D164 HydrophobicContact CZ-CB 4.09Å; F35-Y165 AromaticContact CE2-CE1 3.9Å; F35-Y165 HydrophobicContact CE2-CE1 3.9Å; F35-Y165 AromaticContact CE2-CE2 3.94Å; F35-Y165 HydrophobicContact CE2-CE2 3.94Å; F35-Y165 AromaticContact CE2-CZ 3.37Å; F35-Y165 WeakPolarHBondContact CE2-OH 3.48Å; F35-Y165 HydrophobicContact CZ-CD2 4.38Å; F35-Y165 HydrophobicContact CZ-CE1 4.09Å; F35-Y165 AromaticContact CZ-CE2 3.77Å; F35-Y165 HydrophobicContact CZ-CE2 3.77Å; F35-Y165 AromaticContact CZ-CZ 3.62Å; F35-V190 HydrophobicContact CE1-CG2 4.48Å; F35-V190 HydrophobicContact CE2-CG2 3.66Å; F35-V190 HydrophobicContact CZ-CB 4.42Å; F35-V190 HydrophobicContact CZ-CG2 3.5Å
36A95.3Very high95.1Very high75 Ų7546 Ų4662%0.6225%0.246SC*.Hα-helixtrans-64.5-33178.500000112.9K32 T33 Q38K32-A36 WeakPolarHBondContact O-CB 3.35Å; K32-A36 PolarHBondContact O-N 3.24Å; T33-A36 PolarHBondContact O-N 3.04Å; A36-Q38 PolarHBondContact O-N 3.02Å
37N92.9Very high95.1Very high56 Ų5642.2 Ų42.230%0.29923%0.229SC..THydrogen-bonded Turntrans-76.4-8.3-177-71.5-9.5000114.3M1 T33 F34 F35 S39M1-N37 HydrophobicContact SD-CB 4.19Å; M1-N37 PolarHBondContact SD-ND2 3.4Å; M1-N37 PolarHBondContact SD-OD1 3.48Å; T33-N37 WeakPolarHBondContact CG2-ND2 3.41Å; T33-N37 WeakPolarHBondContact O-CB 3.32Å; T33-N37 PolarHBondContact O-N 3.13Å; T33-N37 PolarHBondContact O-ND2 3.37Å; T33-N37 PolarHBondContact O-OD1 3.06Å; F34-N37 PolarHBondContact O-N 3.23Å; F35-N37 VanDerWaalsContact C-N 3.29Å; F35-N37 PolarHBondContact O-N 3.23Å; N37-S39 PolarHBondContact O-N 3.1Å
38Q83.7Confident95.1Very high170 Ų17042.2 Ų42.279%0.79423%0.229SC*.THydrogen-bonded Turntrans48.937-179.5-57.9-179.2400113.1F35 A36F35-Q38 PolarHBondContact O-N 2.9Å; A36-Q38 PolarHBondContact O-N 3.02Å
39S87.2Confident94.9Very high23 Ų2343.2 Ų43.216%0.16123%0.234CC..  trans-69.8143.7175.4-173.40000110.2N37 N41 S188N37-S39 PolarHBondContact O-N 3.1Å; S39-N41 VanDerWaalsContact C-N 3.3Å; S39-N41 PolarHBondContact OG-N 3.4Å; S39-S188 WeakPolarHBondContact O-CB 3.38Å; S39-S188 PolarHBondContact O-OG 3.1Å
40T90.2Very high94.6Very high88 Ų8840.4 Ų40.454%0.5422%0.223SC..SBendtrans-78.8-16.4170.553.50000112.4E187 S188T40-E187 VanDerWaalsContact O-CA 3.31Å; T40-E187 WeakPolarHBondContact O-CA 3.33Å; T40-S188 PolarHBondContact O-N 2.62Å; T40-S188 VanDerWaalsContact O-N 3.08Å
41N94.1Very high94.4Very high82 Ų8240.8 Ų40.844%0.43922%0.223SC..SBendtrans-67.8151.4177-64.2-38.7000110.6F34 S39F34-N41 WeakPolarHBondContact CE2-O 3.4Å; F34-N41 WeakPolarHBondContact CZ-O 3.26Å; S39-N41 VanDerWaalsContact C-N 3.3Å; S39-N41 PolarHBondContact OG-N 3.4Å
42N97.2Very high94.2Very high26 Ų2641 Ų4114%0.13922%0.224CC..  trans-86.6161173.2-61.9-48.7000111.4E183 F186 E187 S188 T189 M191N42-E183 PolarHBondContact ND2-O 3.31Å; N42-F186 PolarHBondContact ND2-O 2.92Å; N42-F186 PolarHBondContact OD1-O 3Å; N42-E187 VanDerWaalsContact OD1-C 3.27Å; N42-E187 WeakPolarHBondContact OD1-CA 3.47Å; N42-S188 PolarHBondContact OD1-N 3.15Å; N42-T189 WeakPolarHBondContact CA-O 3.39Å; N42-T189 WeakPolarHBondContact CB-O 3.49Å; N42-T189 WeakPolarHBondContact OD1-CB 3.44Å; N42-T189 PolarHBondContact OD1-N 2.99Å; N42-M191 HydrophobicContact CB-CE 4.06Å
43L97.1Very high94.1Very high16 Ų1636.7 Ų36.78%0.08421%0.206CC..EExtended strand (participates in β ladder)trans-111.5100.2172.9-166.677.5000109.7I31 F34 I45 Y71 T189 V190 M191I31-L43 HydrophobicContact CG1-CD2 3.83Å; F34-L43 HydrophobicContact CB-CD2 4.44Å; F34-L43 HydrophobicContact CD1-CB 4.32Å; F34-L43 HydrophobicContact CD2-CB 3.95Å; F34-L43 HydrophobicContact CD2-CD1 4.31Å; F34-L43 HydrophobicContact CE1-CB 4.22Å; F34-L43 HydrophobicContact CE2-CB 3.82Å; F34-L43 HydrophobicContact CG-CB 4.18Å; F34-L43 HydrophobicContact CG-CD2 4.35Å; F34-L43 HydrophobicContact CZ-CB 3.96Å; L43-I45 HydrophobicContact CD2-CD1 3.99Å; L43-I45 HydrophobicContact CD2-CG1 4.27Å; L43-I45 HydrophobicContact CG-CG1 4.31Å; L43-Y71 HydrophobicContact CD1-CD2 3.88Å; L43-Y71 HydrophobicContact CD1-CE2 3.62Å; L43-Y71 HydrophobicContact CD2-CD2 4.43Å; L43-Y71 HydrophobicContact CD2-CE2 4.39Å; L43-Y71 HydrophobicContact CG-CD2 4.3Å; L43-Y71 HydrophobicContact CG-CE2 4.39Å; L43-T189 PolarHBondContact N-O 3.37Å; L43-V190 HydrophobicContact CB-CG2 4.14Å; L43-V190 HydrophobicContact CD2-CG2 4.15Å; L43-V190 CarbonylContact O-C 3.6Å; L43-V190 WeakPolarHBondContact O-CA 3.44Å; L43-M191 PolarHBondContact O-N 3.28Å
44F97.9Very high94Very high2 Ų234.8 Ų34.81%0.00919%0.193CC..EExtended strand (participates in β ladder)trans-91.5120.7176.9176.7-151.8000110.8V46 L65 A69 S70 Y71 E176 I179 M180 M191F44-V46 HydrophobicContact CD2-CG2 4.44Å; F44-V46 HydrophobicContact CE1-CG2 3.93Å; F44-V46 HydrophobicContact CE2-CG2 3.66Å; F44-V46 HydrophobicContact CZ-CG2 3.35Å; F44-L65 HydrophobicContact CE1-CD2 4.46Å; F44-A69 HydrophobicContact CD1-CB 3.58Å; F44-A69 HydrophobicContact CE1-CB 3.78Å; F44-A69 HydrophobicContact CG-CB 4.04Å; F44-A69 HydrophobicContact CZ-CB 4.41Å; F44-S70 PolarHBondContact N-OG 2.94Å; F44-S70 WeakPolarHBondContact O-CA 3.22Å; F44-S70 WeakPolarHBondContact O-CB 3.45Å; F44-S70 PolarHBondContact O-N 3.47Å; F44-Y71 PolarHBondContact O-N 3.22Å; F44-Y71 VanDerWaalsContact O-N 3.11Å; F44-E176 HydrophobicContact CE2-CG 4.37Å; F44-E176 HydrophobicContact CZ-CB 3.99Å; F44-E176 HydrophobicContact CZ-CG 3.87Å; F44-I179 HydrophobicContact CB-CG2 4.5Å; F44-I179 HydrophobicContact CD1-CG2 4.27Å; F44-I179 HydrophobicContact CD2-CB 4.38Å; F44-I179 HydrophobicContact CD2-CD1 4.08Å; F44-I179 HydrophobicContact CD2-CG2 3.55Å; F44-I179 HydrophobicContact CE1-CG2 4.43Å; F44-I179 HydrophobicContact CE2-CB 4.1Å; F44-I179 HydrophobicContact CE2-CD1 3.65Å; F44-I179 HydrophobicContact CE2-CG1 4.47Å; F44-I179 HydrophobicContact CE2-CG2 3.75Å; F44-I179 HydrophobicContact CG-CG2 3.86Å; F44-I179 HydrophobicContact CZ-CB 4.4Å; F44-I179 HydrophobicContact CZ-CG2 4.19Å; F44-M180 HydrophobicContact CD1-CG 4.15Å; F44-M180 HydrophobicContact CD1-SD 3.48Å; F44-M180 WeakPolarHBondContact CD1-SD 3.49Å; F44-M180 HydrophobicContact CE1-CG 3.61Å; F44-M180 HydrophobicContact CE1-SD 3.53Å; F44-M180 VanDerWaalsContact CE1-SD 3.53Å; F44-M180 HydrophobicContact CZ-CG 4.35Å; F44-M191 WeakPolarHBondContact CA-O 3.19Å
45I98.3Very high93.9Very high0 Ų036.7 Ų36.70%020%0.2CC..EExtended strand (participates in β ladder)trans-115.1123.9-179.6-54.4174.3000110.2M27 I31 L43 Y71 V73 L99 V190 M191 M192M27-I45 HydrophobicContact CE-CD1 3.92Å; M27-I45 HydrophobicContact CE-CG1 4.36Å; M27-I45 HydrophobicContact CE-CG2 4.41Å; I31-I45 HydrophobicContact CD1-CD1 4.03Å; I31-I45 HydrophobicContact CG1-CD1 4.27Å; L43-I45 HydrophobicContact CD2-CD1 3.99Å; L43-I45 HydrophobicContact CD2-CG1 4.27Å; L43-I45 HydrophobicContact CG-CG1 4.31Å; I45-Y71 WeakPolarHBondContact CA-O 3.15Å; I45-Y71 HydrophobicContact CG1-CD2 4.5Å; I45-V73 HydrophobicContact CG2-CG2 4.4Å; I45-L99 HydrophobicContact CG2-CD2 3.95Å; I45-V190 HydrophobicContact CD1-CG1 4.07Å; I45-M191 PolarHBondContact N-O 2.86Å; I45-M192 HydrophobicContact CB-CB 4.23Å; I45-M192 HydrophobicContact CB-CG 4.07Å; I45-M192 HydrophobicContact CB-SD 4.25Å; I45-M192 HydrophobicContact CG2-CG 4.25Å; I45-M192 HydrophobicContact CG2-SD 4.01Å
46V98Very high93.9Very high0 Ų034.7 Ų34.70%019%0.191CC..EExtended strand (participates in β ladder)trans-104.5125.5171.8176.30000109.8F44 A48 I66 A69 Y71 I72 V73 E176F44-V46 HydrophobicContact CD2-CG2 4.44Å; F44-V46 HydrophobicContact CE1-CG2 3.93Å; F44-V46 HydrophobicContact CE2-CG2 3.66Å; F44-V46 HydrophobicContact CZ-CG2 3.35Å; V46-A48 HydrophobicContact CG1-CB 4.09Å; V46-A48 PolarHBondContact O-N 3.4Å; V46-I66 HydrophobicContact CG1-CB 4.39Å; V46-I66 HydrophobicContact CG1-CG2 4.35Å; V46-I66 HydrophobicContact CG2-CB 4.29Å; V46-I66 HydrophobicContact CG2-CG2 4.36Å; V46-A69 HydrophobicContact CB-CB 4.32Å; V46-A69 HydrophobicContact CG2-CB 3.6Å; V46-Y71 PolarHBondContact N-O 2.87Å; V46-I72 HydrophobicContact CB-CG1 4.37Å; V46-I72 HydrophobicContact CB-CG2 4.37Å; V46-I72 HydrophobicContact CG1-CG2 4.3Å; V46-I72 CarbonylContact O-C 3.44Å; V46-I72 WeakPolarHBondContact O-CA 3.4Å; V46-V73 PolarHBondContact O-N 2.89Å; V46-E176 HydrophobicContact CG2-CG 4.04Å
47T96.2Very high93.8Very high7 Ų733.3 Ų33.34%0.04318%0.176CC..EExtended strand (participates in β ladder)trans-98.978.7175.163.80000109.6V73 M192 G193T47-V73 CarbonylContact C-O 3.48Å; T47-V73 HydrophobicContact CG2-CG2 3.76Å; T47-M192 HydrophobicContact CG2-CG 4.3Å; T47-M192 HydrophobicContact CG2-SD 4Å; T47-G193 PolarHBondContact OG1-O 2.84Å
48A95.8Very high93.9Very high0 Ų035.2 Ų35.20%019%0.189CC..EExtended strand (participates in β ladder)trans-79.8127.6-170.800000112.3F19 V46 I52 I72 V73 D75F19-A48 HydrophobicContact CE1-CB 3.56Å; F19-A48 HydrophobicContact CZ-CB 3.54Å; V46-A48 HydrophobicContact CG1-CB 4.09Å; V46-A48 PolarHBondContact O-N 3.4Å; A48-I52 HydrophobicContact CB-CB 4.41Å; A48-I52 HydrophobicContact CB-CG2 3.87Å; A48-I72 HydrophobicContact CB-CG2 3.79Å; A48-V73 PolarHBondContact N-O 2.85Å; A48-D75 PolarHBondContact O-N 3.4Å
49N92.9Very high94.6Very high36 Ų3630.7 Ų30.719%0.19317%0.168CC..  trans-109.7175.7175.87424.2000110.4E51 I52 V53 D75N49-E51 PolarHBondContact O-N 2.97Å; N49-E51 VanDerWaalsContact O-N 3.15Å; N49-E51 WeakPolarHBondContact OD1-CA 3.45Å; N49-E51 WeakPolarHBondContact OD1-CB 3.3Å; N49-E51 PolarHBondContact OD1-N 3.37Å; N49-I52 PolarHBondContact O-N 3.35Å; N49-I52 PolarHBondContact OD1-N 3.38Å; N49-V53 WeakPolarHBondContact O-CG2 3.43Å; N49-V53 PolarHBondContact O-N 2.73Å; N49-D75 VanDerWaalsContact CA-O 3.26Å; N49-D75 WeakPolarHBondContact CA-O 3.09Å; N49-D75 HydrophobicContact CB-CB 4.44Å; N49-D75 WeakPolarHBondContact CB-O 3.34Å
50P91.4Very high95Very high23 Ų2335 Ų3515%0.14919%0.186CC..Hα-helixtrans-58.9-28.2180-2636.7000114.8N54 V79 F239P50-N54 VanDerWaalsContact O-CB 3.25Å; P50-N54 WeakPolarHBondContact O-CB 3.47Å; P50-N54 PolarHBondContact O-N 2.88Å; P50-V79 HydrophobicContact CG-CG2 4.01Å; P50-F239 HydrophobicContact CB-CD1 3.84Å; P50-F239 HydrophobicContact CB-CD2 4.45Å; P50-F239 HydrophobicContact CB-CE1 4.01Å; P50-F239 HydrophobicContact CB-CG 4.07Å; P50-F239 HydrophobicContact CB-CZ 4.41Å; P50-F239 HydrophobicContact CG-CE1 4.41Å
51E90.5Very high95.3Very high38 Ų3834.5 Ų34.518%0.17819%0.19CC..Hα-helixtrans-69-48.9178.4-153.1-172.7169.300110.3N49 N54 Y55 F172 R232N49-E51 PolarHBondContact O-N 2.97Å; N49-E51 VanDerWaalsContact O-N 3.15Å; N49-E51 WeakPolarHBondContact OD1-CA 3.45Å; N49-E51 WeakPolarHBondContact OD1-CB 3.3Å; N49-E51 PolarHBondContact OD1-N 3.37Å; E51-N54 PolarHBondContact O-N 3.11Å; E51-Y55 WeakPolarHBondContact O-CB 3.32Å; E51-Y55 PolarHBondContact O-N 2.99Å; E51-F172 HydrophobicContact CB-CE1 4.15Å; E51-F172 HydrophobicContact CB-CZ 3.98Å; E51-F172 VanDerWaalsContact CD-CE1 3.44Å; E51-F172 HydrophobicContact CG-CE1 3.95Å; E51-F172 HydrophobicContact CG-CZ 3.49Å; E51-F172 VanDerWaalsContact CG-CZ 3.49Å; E51-F172 WeakPolarHBondContact OE1-CZ 3.36Å; E51-R232 WeakPolarHBondContact OE1-CB 3.41Å; E51-R232 VanDerWaalsContact OE1-CD 3.25Å; E51-R232 WeakPolarHBondContact OE1-CD 3.47Å; E51-R232 WeakPolarHBondContact OE1-CG 3.29Å; E51-R232 IonicContact OE1-NE 2.7Å; E51-R232 IonicContact OE1-NH1 3.18Å; E51-R232 WeakPolarHBondContact OE2-CD 3.17Å; E51-R232 IonicContact OE2-NH1 3.66Å; E51-R232 PolarHBondContact OE2-NH1 3.17Å
52I93.8Very high95.5Very high4 Ų430.9 Ų30.92%0.02117%0.17CC..Hα-helixtrans-59.2-49.1175.3-71.8173.6000110.4A48 N49 N54 Y55 A56 Y62 I66 F172A48-I52 HydrophobicContact CB-CB 4.41Å; A48-I52 HydrophobicContact CB-CG2 3.87Å; N49-I52 PolarHBondContact O-N 3.35Å; N49-I52 PolarHBondContact OD1-N 3.38Å; I52-N54 VanDerWaalsContact C-N 3.34Å; I52-N54 PolarHBondContact O-N 3.41Å; I52-Y55 PolarHBondContact O-N 3.24Å; I52-A56 WeakPolarHBondContact O-CB 3.41Å; I52-A56 PolarHBondContact O-N 3.42Å; I52-Y62 HydrophobicContact CG2-CE1 4Å; I52-I66 HydrophobicContact CG2-CD1 4.27Å; I52-F172 HydrophobicContact CD1-CB 4.21Å; I52-F172 HydrophobicContact CD1-CD1 4.19Å; I52-F172 HydrophobicContact CD1-CG 4.22Å; I52-F172 HydrophobicContact CG1-CB 4.01Å; I52-F172 HydrophobicContact CG1-CD1 3.66Å; I52-F172 HydrophobicContact CG1-CD2 3.95Å; I52-F172 HydrophobicContact CG1-CE1 4.16Å; I52-F172 HydrophobicContact CG1-CE2 4.43Å; I52-F172 HydrophobicContact CG1-CG 3.57Å
53V95.3Very high95.5Very high0 Ų030.4 Ų30.40%017%0.168CC..Hα-helixtrans-60.7-45.9179.3-179.80000110.6I14 L15 V17 F19 N49 Y55 A56 T57 V79 F239I14-V53 HydrophobicContact CG2-CG1 4.41Å; I14-V53 VanDerWaalsContact O-CG1 3.28Å; I14-V53 WeakPolarHBondContact O-CG1 3.39Å; L15-V53 HydrophobicContact CB-CG1 4.13Å; L15-V53 HydrophobicContact CD1-CG1 4.26Å; V17-V53 HydrophobicContact CB-CG2 4.5Å; V17-V53 HydrophobicContact CG2-CB 4.41Å; V17-V53 HydrophobicContact CG2-CG1 4.02Å; V17-V53 HydrophobicContact CG2-CG2 4.23Å; F19-V53 HydrophobicContact CE2-CG2 3.73Å; F19-V53 HydrophobicContact CZ-CG2 3.54Å; N49-V53 WeakPolarHBondContact O-CG2 3.43Å; N49-V53 PolarHBondContact O-N 2.73Å; V53-Y55 VanDerWaalsContact C-N 3.33Å; V53-Y55 PolarHBondContact O-N 3.39Å; V53-A56 PolarHBondContact O-N 3.11Å; V53-T57 WeakPolarHBondContact O-CG2 3.12Å; V53-T57 PolarHBondContact O-N 2.72Å; V53-V79 HydrophobicContact CG2-CG2 4.35Å; V53-F239 HydrophobicContact CB-CD2 4.41Å; V53-F239 HydrophobicContact CB-CE2 3.89Å; V53-F239 HydrophobicContact CG1-CD2 4.32Å; V53-F239 HydrophobicContact CG1-CE2 3.66Å
54N93.3Very high95.6Very high22 Ų2234.5 Ų34.512%0.11819%0.187CC..Hα-helixtrans-63.5-38.8178-18062.2000112.4P50 E51 I52 T57 I238 F239 K242P50-N54 VanDerWaalsContact O-CB 3.25Å; P50-N54 WeakPolarHBondContact O-CB 3.47Å; P50-N54 PolarHBondContact O-N 2.88Å; E51-N54 PolarHBondContact O-N 3.11Å; I52-N54 VanDerWaalsContact C-N 3.34Å; I52-N54 PolarHBondContact O-N 3.41Å; N54-T57 PolarHBondContact O-N 2.99Å; N54-T57 PolarHBondContact O-OG1 3.22Å; N54-I238 WeakPolarHBondContact OD1-CG2 3.43Å; N54-F239 HydrophobicContact CB-CB 4.35Å; N54-F239 HydrophobicContact CB-CD2 4.43Å; N54-K242 PolarHBondContact OD1-NZ 3.45Å
55Y94.2Very high95.5Very high60 Ų6035.7 Ų35.724%0.23519%0.193CC..Hα-helixtrans-62.5-46.4175.8-177.7-93.6000111.4E51 I52 V53 T57 T58 H59 Y62 F172 P173E51-Y55 WeakPolarHBondContact O-CB 3.32Å; E51-Y55 PolarHBondContact O-N 2.99Å; I52-Y55 PolarHBondContact O-N 3.24Å; V53-Y55 VanDerWaalsContact C-N 3.33Å; V53-Y55 PolarHBondContact O-N 3.39Å; Y55-T57 VanDerWaalsContact C-N 3.27Å; Y55-T57 PolarHBondContact O-N 2.69Å; Y55-T58 PolarHBondContact O-N 3.49Å; Y55-T58 VanDerWaalsContact O-N 3.1Å; Y55-T58 PolarHBondContact O-OG1 3.41Å; Y55-H59 HydrophobicContact CD1-CB 4.29Å; Y55-H59 AromaticContact CD1-ND1 3.88Å; Y55-H59 AromaticContact CD2-CE1 3.58Å; Y55-H59 AromaticContact CD2-ND1 3.61Å; Y55-H59 HydrophobicContact CE1-CB 3.85Å; Y55-H59 AromaticContact CE1-CG 3.66Å; Y55-H59 AromaticContact CE1-ND1 3.72Å; Y55-H59 AromaticContact CE2-CE1 3.17Å; Y55-H59 WeakPolarHBondContact CE2-CE1 3.35Å; Y55-H59 AromaticContact CE2-CG 3.96Å; Y55-H59 AromaticContact CE2-ND1 3.43Å; Y55-H59 WeakPolarHBondContact CE2-ND1 3.14Å; Y55-H59 AromaticContact CE2-NE2 3.57Å; Y55-H59 AromaticContact CG-ND1 3.82Å; Y55-H59 AromaticContact CZ-CD2 3.6Å; Y55-H59 AromaticContact CZ-CE1 3.54Å; Y55-H59 AromaticContact CZ-CG 3.51Å; Y55-H59 AromaticContact CZ-ND1 3.48Å; Y55-H59 AromaticContact CZ-NE2 3.63Å; Y55-H59 PolarHBondContact O-N 2.74Å; Y55-H59 PolarHBondContact O-ND1 2.92Å; Y55-H59 PolarHBondContact OH-CD2 2.95Å; Y55-Y62 AromaticContact CD1-CD1 3.58Å; Y55-Y62 HydrophobicContact CD1-CD1 3.58Å; Y55-Y62 AromaticContact CD1-CE1 3.94Å; Y55-Y62 HydrophobicContact CD1-CE1 3.94Å; Y55-Y62 AromaticContact CD1-CG 3.97Å; Y55-Y62 HydrophobicContact CD1-CG 3.97Å; Y55-Y62 AromaticContact CE1-CD1 3.93Å; Y55-Y62 HydrophobicContact CE1-CD1 3.93Å; Y55-Y62 HydrophobicContact CE1-CD2 4.33Å; Y55-Y62 HydrophobicContact CE1-CE1 4.49Å; Y55-Y62 AromaticContact CE1-CG 3.81Å; Y55-Y62 HydrophobicContact CE1-CG 3.81Å; Y55-F172 HydrophobicContact CD2-CE2 4.34Å; Y55-F172 HydrophobicContact CG-CD2 4.41Å; Y55-F172 HydrophobicContact CG-CE2 4.05Å; Y55-P173 HydrophobicContact CE1-CB 3.88Å; Y55-P173 HydrophobicContact CE1-CG 4.09Å
56A96.4Very high95.5Very high0 Ų035.7 Ų35.70%019%0.193CC..Hα-helixtrans-58.7-36.5179.100000112.6V17 I52 V53 T58 H59 Y62 L63 I66V17-A56 HydrophobicContact CG2-CB 4.21Å; I52-A56 WeakPolarHBondContact O-CB 3.41Å; I52-A56 PolarHBondContact O-N 3.42Å; V53-A56 PolarHBondContact O-N 3.11Å; A56-T58 PolarHBondContact O-N 2.81Å; A56-H59 CarbonylContact O-C 3.55Å; A56-H59 PolarHBondContact O-N 3.19Å; A56-H59 VanDerWaalsContact O-N 3.13Å; A56-Y62 HydrophobicContact CB-CD1 4Å; A56-Y62 HydrophobicContact CB-CE1 4.45Å; A56-L63 HydrophobicContact CB-CB 4.06Å; A56-L63 HydrophobicContact CB-CD1 3.85Å; A56-I66 HydrophobicContact CB-CD1 4.07Å
57T94.2Very high95.5Very high47 Ų4738.1 Ų38.129%0.28821%0.206SC..THydrogen-bonded Turntrans-63.9-12.717864.90000115.7L15 V53 N54 Y55 K242L15-T57 HydrophobicContact CB-CG2 3.63Å; L15-T57 HydrophobicContact CD1-CG2 4.08Å; L15-T57 HydrophobicContact CG-CG2 4.45Å; V53-T57 WeakPolarHBondContact O-CG2 3.12Å; V53-T57 PolarHBondContact O-N 2.72Å; N54-T57 PolarHBondContact O-N 2.99Å; N54-T57 PolarHBondContact O-OG1 3.22Å; Y55-T57 VanDerWaalsContact C-N 3.27Å; Y55-T57 PolarHBondContact O-N 2.69Å; T57-K242 HydrophobicContact CG2-CD 4.47Å; T57-K242 PolarHBondContact OG1-NZ 2.99Å
58T94.5Very high95.5Very high96 Ų9643.9 Ų43.959%0.58923%0.233SC*.THydrogen-bonded Turntrans-118.71.1175.660.90000113Y55 A56Y55-T58 PolarHBondContact O-N 3.49Å; Y55-T58 VanDerWaalsContact O-N 3.1Å; Y55-T58 PolarHBondContact O-OG1 3.41Å; A56-T58 PolarHBondContact O-N 2.81Å
59H97.4Very high95.5Very high75 Ų7544.2 Ų44.235%0.34724%0.235SC..  trans-132.886-178.7-61.385.1000108.4Y55 A56 A61 Y62 L63Y55-H59 HydrophobicContact CD1-CB 4.29Å; Y55-H59 AromaticContact CD1-ND1 3.88Å; Y55-H59 AromaticContact CD2-CE1 3.58Å; Y55-H59 AromaticContact CD2-ND1 3.61Å; Y55-H59 HydrophobicContact CE1-CB 3.85Å; Y55-H59 AromaticContact CE1-CG 3.66Å; Y55-H59 AromaticContact CE1-ND1 3.72Å; Y55-H59 AromaticContact CE2-CE1 3.17Å; Y55-H59 WeakPolarHBondContact CE2-CE1 3.35Å; Y55-H59 AromaticContact CE2-CG 3.96Å; Y55-H59 AromaticContact CE2-ND1 3.43Å; Y55-H59 WeakPolarHBondContact CE2-ND1 3.14Å; Y55-H59 AromaticContact CE2-NE2 3.57Å; Y55-H59 AromaticContact CG-ND1 3.82Å; Y55-H59 AromaticContact CZ-CD2 3.6Å; Y55-H59 AromaticContact CZ-CE1 3.54Å; Y55-H59 AromaticContact CZ-CG 3.51Å; Y55-H59 AromaticContact CZ-ND1 3.48Å; Y55-H59 AromaticContact CZ-NE2 3.63Å; Y55-H59 PolarHBondContact O-N 2.74Å; Y55-H59 PolarHBondContact O-ND1 2.92Å; Y55-H59 PolarHBondContact OH-CD2 2.95Å; A56-H59 CarbonylContact O-C 3.55Å; A56-H59 PolarHBondContact O-N 3.19Å; A56-H59 VanDerWaalsContact O-N 3.13Å; H59-A61 VanDerWaalsContact C-N 3.31Å; H59-A61 PolarHBondContact O-N 3.26Å; H59-Y62 PolarHBondContact O-N 3.11Å; H59-L63 PolarHBondContact O-N 2.97Å
60Q96.8Very high95.7Very high113 Ų11344.8 Ų44.853%0.52824%0.242SC..Hα-helixtrans-58.7-41.5-171.9-174.359.236.300112.6Y62 L63 E64Q60-Y62 VanDerWaalsContact C-N 3.31Å; Q60-Y62 PolarHBondContact O-N 3.45Å; Q60-L63 WeakPolarHBondContact O-CB 3.48Å; Q60-L63 PolarHBondContact O-N 3.34Å; Q60-L63 VanDerWaalsContact O-N 3.15Å; Q60-E64 VanDerWaalsContact CG-OE1 3.32Å; Q60-E64 WeakPolarHBondContact CG-OE1 3.49Å; Q60-E64 PolarHBondContact NE2-OE1 3.25Å; Q60-E64 WeakPolarHBondContact O-CG 3.41Å; Q60-E64 PolarHBondContact O-N 3.22Å
61A97Very high95.9Very high77 Ų7745.2 Ų45.264%0.63624%0.241SC*.Hα-helixtrans-59.2-40.9175.700000112.3H59 E64 L65H59-A61 VanDerWaalsContact C-N 3.31Å; H59-A61 PolarHBondContact O-N 3.26Å; A61-E64 PolarHBondContact O-N 3.17Å; A61-L65 VanDerWaalsContact O-CB 3.26Å; A61-L65 WeakPolarHBondContact O-CB 3.48Å; A61-L65 PolarHBondContact O-N 2.87Å
62Y97.8Very high96.3Very high6 Ų643.5 Ų43.52%0.02423%0.233CC..Hα-helixtrans-70.5-35.9177-177-98.7000112.1I52 Y55 A56 H59 Q60 L65 I66 P173 E176I52-Y62 HydrophobicContact CG2-CE1 4Å; Y55-Y62 AromaticContact CD1-CD1 3.58Å; Y55-Y62 HydrophobicContact CD1-CD1 3.58Å; Y55-Y62 AromaticContact CD1-CE1 3.94Å; Y55-Y62 HydrophobicContact CD1-CE1 3.94Å; Y55-Y62 AromaticContact CD1-CG 3.97Å; Y55-Y62 HydrophobicContact CD1-CG 3.97Å; Y55-Y62 AromaticContact CE1-CD1 3.93Å; Y55-Y62 HydrophobicContact CE1-CD1 3.93Å; Y55-Y62 HydrophobicContact CE1-CD2 4.33Å; Y55-Y62 HydrophobicContact CE1-CE1 4.49Å; Y55-Y62 AromaticContact CE1-CG 3.81Å; Y55-Y62 HydrophobicContact CE1-CG 3.81Å; A56-Y62 HydrophobicContact CB-CD1 4Å; A56-Y62 HydrophobicContact CB-CE1 4.45Å; H59-Y62 PolarHBondContact O-N 3.11Å; Q60-Y62 VanDerWaalsContact C-N 3.31Å; Q60-Y62 PolarHBondContact O-N 3.45Å; Y62-L65 WeakPolarHBondContact O-CB 3.46Å; Y62-L65 PolarHBondContact O-N 3.1Å; Y62-I66 HydrophobicContact CD1-CG2 4.26Å; Y62-I66 HydrophobicContact CD2-CG2 4.47Å; Y62-I66 HydrophobicContact CE1-CD1 4.18Å; Y62-I66 HydrophobicContact CE1-CG2 3.74Å; Y62-I66 HydrophobicContact CE2-CG2 3.96Å; Y62-I66 WeakPolarHBondContact O-CG1 3.49Å; Y62-I66 PolarHBondContact O-N 2.84Å; Y62-P173 HydrophobicContact CD2-CB 3.4Å; Y62-P173 VanDerWaalsContact CD2-CB 3.4Å; Y62-P173 HydrophobicContact CE2-CB 3.3Å; Y62-P173 HydrophobicContact CG-CB 4.26Å; Y62-E176 HydrophobicContact CE2-CB 4.03Å; Y62-E176 HydrophobicContact CE2-CG 4.49Å; Y62-E176 PolarHBondContact OH-OE2 3.38Å
63L97.9Very high96.4Very high16 Ų1643.3 Ų43.38%0.08423%0.232CC..Hα-helixtrans-61.1-47.7173.9179.162.5000111.5G16 V17 A56 H59 Q60 L65 I66 N67G16-L63 WeakPolarHBondContact O-CD1 3.25Å; V17-L63 HydrophobicContact CG2-CD1 3.65Å; A56-L63 HydrophobicContact CB-CB 4.06Å; A56-L63 HydrophobicContact CB-CD1 3.85Å; H59-L63 PolarHBondContact O-N 2.97Å; Q60-L63 WeakPolarHBondContact O-CB 3.48Å; Q60-L63 PolarHBondContact O-N 3.34Å; Q60-L63 VanDerWaalsContact O-N 3.15Å; L63-L65 VanDerWaalsContact C-N 3.29Å; L63-L65 PolarHBondContact O-N 2.88Å; L63-I66 WeakPolarHBondContact O-CG1 3.08Å; L63-I66 PolarHBondContact O-N 3.26Å; L63-N67 WeakPolarHBondContact O-CB 3.5Å; L63-N67 PolarHBondContact O-N 3.25Å; L63-N67 VanDerWaalsContact O-N 3.11Å; L63-N67 PolarHBondContact O-ND2 3.13Å
64E97.7Very high96.4Very high102 Ų10243.4 Ų43.448%0.47723%0.233SC..Hα-helixtrans-62.8-37.7176.6-73.4164.9-167.800111.8Q60 A61 Q68Q60-E64 VanDerWaalsContact CG-OE1 3.32Å; Q60-E64 WeakPolarHBondContact CG-OE1 3.49Å; Q60-E64 PolarHBondContact NE2-OE1 3.25Å; Q60-E64 WeakPolarHBondContact O-CG 3.41Å; Q60-E64 PolarHBondContact O-N 3.22Å; A61-E64 PolarHBondContact O-N 3.17Å; E64-Q68 WeakPolarHBondContact O-CG 3.42Å; E64-Q68 PolarHBondContact O-N 3.02Å; E64-Q68 PolarHBondContact O-NE2 3.38Å
65L97.2Very high96.3Very high27 Ų2743.8 Ų43.814%0.14124%0.235CC..Hα-helixtrans-62-54.4176.6-172.1158.3000111.5F44 A61 Y62 L63 N67 Q68 E176 E177 M180F44-L65 HydrophobicContact CE1-CD2 4.46Å; A61-L65 VanDerWaalsContact O-CB 3.26Å; A61-L65 WeakPolarHBondContact O-CB 3.48Å; A61-L65 PolarHBondContact O-N 2.87Å; Y62-L65 WeakPolarHBondContact O-CB 3.46Å; Y62-L65 PolarHBondContact O-N 3.1Å; L63-L65 VanDerWaalsContact C-N 3.29Å; L63-L65 PolarHBondContact O-N 2.88Å; L65-N67 VanDerWaalsContact C-N 3.28Å; L65-N67 PolarHBondContact O-N 3.47Å; L65-Q68 WeakPolarHBondContact O-CB 3.42Å; L65-Q68 PolarHBondContact O-N 2.91Å; L65-Q68 VanDerWaalsContact O-N 3.13Å; L65-E176 HydrophobicContact CD2-CB 3.66Å; L65-E177 HydrophobicContact CD1-CB 4.47Å; L65-E177 HydrophobicContact CD1-CG 3.96Å; L65-M180 HydrophobicContact CD1-CB 4.11Å; L65-M180 HydrophobicContact CD1-CG 4.29Å; L65-M180 HydrophobicContact CD2-CB 4.16Å; L65-M180 HydrophobicContact CD2-CG 3.47Å; L65-M180 VanDerWaalsContact CD2-CG 3.47Å; L65-M180 HydrophobicContact CG-CB 3.97Å; L65-M180 HydrophobicContact CG-CG 3.64Å
66I97.5Very high95.9Very high0 Ų041.3 Ų41.30%023%0.228CC..Hα-helixtrans-68.2-28.7-177.265.6177.3000112.5V17 V46 I52 A56 Y62 L63 Q68 A69 I72 E176V17-I66 HydrophobicContact CG1-CD1 4.01Å; V17-I66 HydrophobicContact CG2-CD1 3.95Å; V46-I66 HydrophobicContact CG1-CB 4.39Å; V46-I66 HydrophobicContact CG1-CG2 4.35Å; V46-I66 HydrophobicContact CG2-CB 4.29Å; V46-I66 HydrophobicContact CG2-CG2 4.36Å; I52-I66 HydrophobicContact CG2-CD1 4.27Å; A56-I66 HydrophobicContact CB-CD1 4.07Å; Y62-I66 HydrophobicContact CD1-CG2 4.26Å; Y62-I66 HydrophobicContact CD2-CG2 4.47Å; Y62-I66 HydrophobicContact CE1-CD1 4.18Å; Y62-I66 HydrophobicContact CE1-CG2 3.74Å; Y62-I66 HydrophobicContact CE2-CG2 3.96Å; Y62-I66 WeakPolarHBondContact O-CG1 3.49Å; Y62-I66 PolarHBondContact O-N 2.84Å; L63-I66 WeakPolarHBondContact O-CG1 3.08Å; L63-I66 PolarHBondContact O-N 3.26Å; I66-Q68 PolarHBondContact O-N 3.08Å; I66-A69 WeakPolarHBondContact O-CB 3.28Å; I66-A69 PolarHBondContact O-N 2.81Å; I66-A69 VanDerWaalsContact O-N 3.11Å; I66-I72 WeakPolarHBondContact O-CD1 3.2Å; I66-E176 HydrophobicContact CG2-CB 4.38Å; I66-E176 HydrophobicContact CG2-CG 4.15Å
67N97.3Very high95.3Very high52 Ų5242.5 Ų42.528%0.27824%0.235SC..THydrogen-bonded Turntrans-72.3-10.5175.9-77.7-18.1000113.7G16 D18 L63 L65 A69 I72G16-N67 PolarHBondContact O-ND2 3.18Å; D18-N67 PolarHBondContact N-OD1 3.01Å; D18-N67 VanDerWaalsContact N-OD1 3.1Å; L63-N67 WeakPolarHBondContact O-CB 3.5Å; L63-N67 PolarHBondContact O-N 3.25Å; L63-N67 VanDerWaalsContact O-N 3.11Å; L63-N67 PolarHBondContact O-ND2 3.13Å; L65-N67 VanDerWaalsContact C-N 3.28Å; L65-N67 PolarHBondContact O-N 3.47Å; N67-A69 VanDerWaalsContact C-N 3.33Å; N67-I72 WeakPolarHBondContact OD1-CD1 3.32Å
68Q96.1Very high95.1Very high128 Ų12841.5 Ų41.560%0.59823%0.234SC*.THydrogen-bonded Turntrans-81.3-13.1168.6-70.2168.366.200112.9E64 L65 I66 M180E64-Q68 WeakPolarHBondContact O-CG 3.42Å; E64-Q68 PolarHBondContact O-N 3.02Å; E64-Q68 PolarHBondContact O-NE2 3.38Å; L65-Q68 WeakPolarHBondContact O-CB 3.42Å; L65-Q68 PolarHBondContact O-N 2.91Å; L65-Q68 VanDerWaalsContact O-N 3.13Å; I66-Q68 PolarHBondContact O-N 3.08Å; Q68-M180 HydrophobicContact CB-CE 3.93Å; Q68-M180 HydrophobicContact CB-SD 4.43Å
69A97Very high95Very high6 Ų637 Ų375%0.0521%0.206CC..SBendtrans-59.5144.4179.600000112.2F44 V46 I66 N67 Y71 I72F44-A69 HydrophobicContact CD1-CB 3.58Å; F44-A69 HydrophobicContact CE1-CB 3.78Å; F44-A69 HydrophobicContact CG-CB 4.04Å; F44-A69 HydrophobicContact CZ-CB 4.41Å; V46-A69 HydrophobicContact CB-CB 4.32Å; V46-A69 HydrophobicContact CG2-CB 3.6Å; I66-A69 WeakPolarHBondContact O-CB 3.28Å; I66-A69 PolarHBondContact O-N 2.81Å; I66-A69 VanDerWaalsContact O-N 3.11Å; N67-A69 VanDerWaalsContact C-N 3.33Å; A69-Y71 PolarHBondContact O-N 3.49Å; A69-I72 HydrophobicContact CB-CG1 4.18Å
70S95.9Very high94.8Very high48 Ų4834.3 Ų34.334%0.33620%0.195SC..SBendtrans-60.5-39175.4-430000111.2F44F44-S70 PolarHBondContact N-OG 2.94Å; F44-S70 WeakPolarHBondContact O-CA 3.22Å; F44-S70 WeakPolarHBondContact O-CB 3.45Å; F44-S70 PolarHBondContact O-N 3.47Å
71Y97.1Very high94.6Very high33 Ų3334.7 Ų34.713%0.12920%0.195CC..EExtended strand (participates in β ladder)trans-137.4136.8174.2-67.2-77.7000112.1D20 M27 N30 L43 F44 I45 V46 A69D20-Y71 HydrophobicContact CB-CD1 4.24Å; D20-Y71 VanDerWaalsContact OD2-CA 3.28Å; D20-Y71 WeakPolarHBondContact OD2-CA 3.27Å; M27-Y71 HydrophobicContact CE-CD1 4.22Å; M27-Y71 HydrophobicContact CE-CD2 3.78Å; M27-Y71 HydrophobicContact CE-CE2 4.39Å; M27-Y71 HydrophobicContact CE-CG 3.69Å; M27-Y71 HydrophobicContact SD-CD1 3.71Å; M27-Y71 HydrophobicContact SD-CD2 4.31Å; M27-Y71 HydrophobicContact SD-CE1 4.13Å; M27-Y71 HydrophobicContact SD-CG 3.82Å; N30-Y71 HydrophobicContact CB-CE2 4.41Å; N30-Y71 PolarHBondContact ND2-OH 3.21Å; L43-Y71 HydrophobicContact CD1-CD2 3.88Å; L43-Y71 HydrophobicContact CD1-CE2 3.62Å; L43-Y71 HydrophobicContact CD2-CD2 4.43Å; L43-Y71 HydrophobicContact CD2-CE2 4.39Å; L43-Y71 HydrophobicContact CG-CD2 4.3Å; L43-Y71 HydrophobicContact CG-CE2 4.39Å; F44-Y71 PolarHBondContact O-N 3.22Å; F44-Y71 VanDerWaalsContact O-N 3.11Å; I45-Y71 WeakPolarHBondContact CA-O 3.15Å; I45-Y71 HydrophobicContact CG1-CD2 4.5Å; V46-Y71 PolarHBondContact N-O 2.87Å; A69-Y71 PolarHBondContact O-N 3.49Å
72I97.4Very high94.4Very high1 Ų131.1 Ų31.11%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-117.2108.1166.3-49.8179000108.4V17 F19 D20 V46 A48 I66 N67 A69V17-I72 HydrophobicContact CG1-CD1 4.04Å; V17-I72 HydrophobicContact CG1-CG2 3.91Å; F19-I72 CarbonylContact C-O 3.53Å; F19-I72 WeakPolarHBondContact CA-O 3.36Å; F19-I72 HydrophobicContact CD1-CG2 3.87Å; F19-I72 HydrophobicContact CE1-CG2 3.91Å; F19-I72 HydrophobicContact CG-CG2 4.36Å; F19-I72 HydrophobicContact CZ-CG2 4.42Å; D20-I72 PolarHBondContact N-O 2.99Å; D20-I72 PolarHBondContact OD2-N 3.17Å; V46-I72 HydrophobicContact CB-CG1 4.37Å; V46-I72 HydrophobicContact CB-CG2 4.37Å; V46-I72 HydrophobicContact CG1-CG2 4.3Å; V46-I72 CarbonylContact O-C 3.44Å; V46-I72 WeakPolarHBondContact O-CA 3.4Å; A48-I72 HydrophobicContact CB-CG2 3.79Å; I66-I72 WeakPolarHBondContact O-CD1 3.2Å; N67-I72 WeakPolarHBondContact OD1-CD1 3.32Å; A69-I72 HydrophobicContact CB-CG1 4.18Å
73V96.7Very high94.2Very high0 Ų030.8 Ų30.80%016%0.164CC..EExtended strand (participates in β ladder)trans-104.5148.1-178.4-59.70000111.7T22 M27 I45 V46 T47 A48 D75 I94 L99T22-V73 HydrophobicContact CG2-CG1 3.99Å; M27-V73 HydrophobicContact CE-CG1 4.2Å; M27-V73 HydrophobicContact CG-CG1 3.99Å; M27-V73 HydrophobicContact SD-CG1 3.87Å; I45-V73 HydrophobicContact CG2-CG2 4.4Å; V46-V73 PolarHBondContact O-N 2.89Å; T47-V73 CarbonylContact C-O 3.48Å; T47-V73 HydrophobicContact CG2-CG2 3.76Å; A48-V73 PolarHBondContact N-O 2.85Å; V73-D75 PolarHBondContact O-N 3.39Å; V73-I94 HydrophobicContact CB-CB 4.08Å; V73-I94 HydrophobicContact CB-CD1 4.13Å; V73-I94 HydrophobicContact CB-CG2 4.28Å; V73-I94 HydrophobicContact CG1-CD1 4.05Å; V73-I94 HydrophobicContact CG2-CB 4.25Å; V73-I94 HydrophobicContact CG2-CG2 4.09Å; V73-L99 HydrophobicContact CG2-CD2 4.18Å
74A95.1Very high93.9Very high3 Ų335.3 Ų35.33%0.02519%0.185CC..EExtended strand (participates in β ladder)trans-79.998.8-177.400000113F19 G76 V79 V80 L90 R93 I94F19-A74 HydrophobicContact CD1-CB 4.05Å; F19-A74 HydrophobicContact CE1-CB 4.13Å; A74-G76 PolarHBondContact O-N 3.12Å; A74-V79 HydrophobicContact CB-CB 4.16Å; A74-V79 HydrophobicContact CB-CG1 3.8Å; A74-V80 HydrophobicContact CB-CG2 4.25Å; A74-L90 HydrophobicContact CB-CD1 3.8Å; A74-R93 WeakPolarHBondContact O-CG 3.24Å; A74-I94 PolarHBondContact O-N 3.34Å
75D92Very high93.6Very high29 Ų2936.6 Ų36.616%0.15519%0.185CC..  trans-89.379.1170.6-176.512.2000111.6A48 N49 V73 R93 P95A48-D75 PolarHBondContact O-N 3.4Å; N49-D75 VanDerWaalsContact CA-O 3.26Å; N49-D75 WeakPolarHBondContact CA-O 3.09Å; N49-D75 HydrophobicContact CB-CB 4.44Å; N49-D75 WeakPolarHBondContact CB-O 3.34Å; V73-D75 PolarHBondContact O-N 3.39Å; D75-R93 IonicContact OD1-NE 3.93Å; D75-R93 IonicContact OD1-NH2 2.75Å; D75-R93 PolarHBondContact OD1-NH2 3.04Å; D75-P95 WeakPolarHBondContact OD1-CA 3.37Å
76G85.6Confident93.3Very high9 Ų935.8 Ų35.89%0.09318%0.181CC..SBendtrans144.9146.3170.300000112.6A74 G78 V79 V80 R93A74-G76 PolarHBondContact O-N 3.12Å; G76-G78 PolarHBondContact O-N 3.17Å; G76-V79 PolarHBondContact O-N 2.96Å; G76-V80 PolarHBondContact O-N 3.2Å; G76-R93 VanDerWaalsContact CA-NE 3.29Å
77T84.1Confident92.9Very high25 Ų2543.5 Ų43.515%0.15321%0.214CC..Hα-helixtrans-67.7-19.1177.147.90000114.2V79 K81 N216T77-V79 VanDerWaalsContact C-N 3.33Å; T77-K81 VanDerWaalsContact O-CB 3.28Å; T77-K81 WeakPolarHBondContact O-CB 3.38Å; T77-K81 VanDerWaalsContact O-CG 3.25Å; T77-K81 WeakPolarHBondContact O-CG 3.36Å; T77-K81 PolarHBondContact O-N 2.99Å; T77-N216 HydrophobicContact CG2-CB 3.33Å; T77-N216 WeakPolarHBondContact CG2-OD1 3.41Å
78G89.5Confident92.5Very high26 Ų2643.8 Ų43.827%0.26821%0.214SC..Hα-helixtrans-61.7-43.5175.300000111.6G76 A82G76-G78 PolarHBondContact O-N 3.17Å; G78-A82 VanDerWaalsContact O-CB 3.29Å; G78-A82 WeakPolarHBondContact O-CB 3.29Å; G78-A82 PolarHBondContact O-N 3.22Å
79V92.3Very high92.2Very high0 Ų040.8 Ų40.80%021%0.206CC..Hα-helixtrans-67.7-47.1178.4179.90000110.6I14 F19 P50 V53 A74 G76 T77 K81 A82 S83 L90I14-V79 HydrophobicContact CD1-CG1 3.48Å; I14-V79 VanDerWaalsContact CD1-CG1 3.48Å; F19-V79 HydrophobicContact CD1-CG1 4.12Å; F19-V79 HydrophobicContact CD2-CG1 4.24Å; F19-V79 HydrophobicContact CE1-CG1 3.63Å; F19-V79 HydrophobicContact CE2-CG1 3.77Å; F19-V79 HydrophobicContact CG-CG1 4.4Å; F19-V79 HydrophobicContact CZ-CB 4.47Å; F19-V79 HydrophobicContact CZ-CG1 3.44Å; F19-V79 VanDerWaalsContact CZ-CG1 3.44Å; F19-V79 HydrophobicContact CZ-CG2 4.19Å; P50-V79 HydrophobicContact CG-CG2 4.01Å; V53-V79 HydrophobicContact CG2-CG2 4.35Å; A74-V79 HydrophobicContact CB-CB 4.16Å; A74-V79 HydrophobicContact CB-CG1 3.8Å; G76-V79 PolarHBondContact O-N 2.96Å; T77-V79 VanDerWaalsContact C-N 3.33Å; V79-K81 PolarHBondContact O-N 2.91Å; V79-A82 WeakPolarHBondContact O-CB 3.41Å; V79-A82 PolarHBondContact O-N 3.17Å; V79-A82 VanDerWaalsContact O-N 3.09Å; V79-S83 PolarHBondContact O-N 3.08Å; V79-L90 HydrophobicContact CG1-CD1 3.94Å
80V92.4Very high91.9Very high20 Ų2040.7 Ų40.712%0.12120%0.204CC..Hα-helixtrans-59.2-47.9176.3-1790000111A74 G76 A82 S83 H84 R93A74-V80 HydrophobicContact CB-CG2 4.25Å; G76-V80 PolarHBondContact O-N 3.2Å; V80-A82 VanDerWaalsContact C-N 3.26Å; V80-A82 PolarHBondContact O-N 3.45Å; V80-S83 PolarHBondContact O-N 3.39Å; V80-S83 PolarHBondContact O-OG 3.44Å; V80-H84 PolarHBondContact O-CD2 3.38Å; V80-H84 PolarHBondContact O-N 3.25Å; V80-R93 HydrophobicContact CG2-CB 4.01Å
81K92.2Very high91.3Very high121 Ų12141.1 Ų41.153%0.52621%0.211SC..Hα-helixtrans-63.2-33.1176.5-72.6177.1-179.6-178.70112.5T77 V79 R85T77-K81 VanDerWaalsContact O-CB 3.28Å; T77-K81 WeakPolarHBondContact O-CB 3.38Å; T77-K81 VanDerWaalsContact O-CG 3.25Å; T77-K81 WeakPolarHBondContact O-CG 3.36Å; T77-K81 PolarHBondContact O-N 2.99Å; V79-K81 PolarHBondContact O-N 2.91Å; K81-R85 WeakPolarHBondContact O-CG 3.28Å; K81-R85 PolarHBondContact O-N 3.12Å; K81-R85 VanDerWaalsContact O-N 3.17Å
82A92.9Very high90.9Very high1 Ų144.6 Ų44.61%0.00823%0.228CC..Hα-helixtrans-66-45176.100000111.7I14 G78 V79 V80 H84 R85 L86 F239 I243I14-A82 HydrophobicContact CG2-CB 4.15Å; G78-A82 VanDerWaalsContact O-CB 3.29Å; G78-A82 WeakPolarHBondContact O-CB 3.29Å; G78-A82 PolarHBondContact O-N 3.22Å; V79-A82 WeakPolarHBondContact O-CB 3.41Å; V79-A82 PolarHBondContact O-N 3.17Å; V79-A82 VanDerWaalsContact O-N 3.09Å; V80-A82 VanDerWaalsContact C-N 3.26Å; V80-A82 PolarHBondContact O-N 3.45Å; A82-H84 PolarHBondContact O-N 3.47Å; A82-R85 WeakPolarHBondContact O-CB 3.42Å; A82-R85 PolarHBondContact O-N 3.32Å; A82-L86 WeakPolarHBondContact O-CG 3.49Å; A82-L86 PolarHBondContact O-N 3.02Å; A82-F239 HydrophobicContact CB-CE1 3.8Å; A82-F239 HydrophobicContact CB-CZ 3.66Å; A82-I243 HydrophobicContact CB-CD1 3.69Å; A82-I243 HydrophobicContact CB-CG1 3.79Å; A82-I243 HydrophobicContact CB-CG2 4.24Å
83S93.5Very high90.7Very high0 Ų047.4 Ų47.40%024%0.239CC..Hα-helixtrans-59.4-44.3178.778.80000112V79 V80 R85 L86 K87 Q88 L90V79-S83 PolarHBondContact O-N 3.08Å; V80-S83 PolarHBondContact O-N 3.39Å; V80-S83 PolarHBondContact O-OG 3.44Å; S83-R85 PolarHBondContact O-N 3.33Å; S83-L86 CarbonylContact O-C 3.5Å; S83-L86 PolarHBondContact O-N 3.31Å; S83-K87 PolarHBondContact O-N 3.36Å; S83-Q88 CarbonylContact C-O 3.51Å; S83-Q88 WeakPolarHBondContact CB-O 3.35Å; S83-Q88 CarbonylContact O-C 3.58Å; S83-Q88 PolarHBondContact O-N 3.38Å; S83-L90 PolarHBondContact OG-N 3.46Å
84H92.3Very high90.6Very high111 Ų11147.4 Ų47.451%0.51424%0.239SC..Hα-helixtrans-59.1-42.9171.4-78-81000112.6V80 A82 L86 K87 P89V80-H84 PolarHBondContact O-CD2 3.38Å; V80-H84 PolarHBondContact O-N 3.25Å; A82-H84 PolarHBondContact O-N 3.47Å; H84-L86 VanDerWaalsContact C-N 3.26Å; H84-L86 PolarHBondContact O-N 3.15Å; H84-K87 PolarHBondContact O-N 3.11Å; H84-K87 VanDerWaalsContact O-N 3.08Å; H84-P89 WeakPolarHBondContact ND1-CB 3.4Å
85R91.6Very high90.4Very high128 Ų12847.8 Ų47.848%0.48324%0.241SC..Hα-helixtrans-66-30.1179-77.3-175.5178.6122.5-4.6112.9K81 A82 S83 K87 I243 K247K81-R85 WeakPolarHBondContact O-CG 3.28Å; K81-R85 PolarHBondContact O-N 3.12Å; K81-R85 VanDerWaalsContact O-N 3.17Å; A82-R85 WeakPolarHBondContact O-CB 3.42Å; A82-R85 PolarHBondContact O-N 3.32Å; S83-R85 PolarHBondContact O-N 3.33Å; R85-K87 VanDerWaalsContact C-N 3.27Å; R85-I243 HydrophobicContact CB-CG2 4.15Å; R85-K247 VanDerWaalsContact O-CD 3.26Å; R85-K247 WeakPolarHBondContact O-CD 3.41Å; R85-K247 WeakPolarHBondContact O-CE 3.25Å
86L90.6Very high90.5Very high10 Ų1046.5 Ų46.55%0.05223%0.234CC..THydrogen-bonded Turntrans-82.4-1.5175.1-64175000113.1I14 A82 S83 H84 Q88 I243 A246 K247 I250I14-L86 HydrophobicContact CG1-CD1 4.49Å; I14-L86 HydrophobicContact CG2-CD1 4.25Å; A82-L86 WeakPolarHBondContact O-CG 3.49Å; A82-L86 PolarHBondContact O-N 3.02Å; S83-L86 CarbonylContact O-C 3.5Å; S83-L86 PolarHBondContact O-N 3.31Å; H84-L86 VanDerWaalsContact C-N 3.26Å; H84-L86 PolarHBondContact O-N 3.15Å; L86-Q88 HydrophobicContact CB-CG 3.73Å; L86-I243 HydrophobicContact CD1-CD1 3.99Å; L86-I243 HydrophobicContact CD2-CG2 4.36Å; L86-I243 HydrophobicContact CG-CG2 4.37Å; L86-A246 HydrophobicContact CD2-CB 3.94Å; L86-K247 HydrophobicContact CD2-CB 4.22Å; L86-I250 HydrophobicContact CD2-CD1 3.98Å
87K89.4Confident90.9Very high163 Ų16346.4 Ų46.471%0.70923%0.232SC*.THydrogen-bonded Turntrans66.431.8-178.2-54.7-174.5172.4-170.30114.6S83 H84 R85S83-K87 PolarHBondContact O-N 3.36Å; H84-K87 PolarHBondContact O-N 3.11Å; H84-K87 VanDerWaalsContact O-N 3.08Å; R85-K87 VanDerWaalsContact C-N 3.27Å
88Q88.3Confident91.4Very high57 Ų5748.4 Ų48.427%0.26624%0.239SC..  trans-140.673.4178.939.1175.981.300107V12 D13 S83 L86 L90V12-Q88 HydrophobicContact CG1-CB 4.06Å; V12-Q88 HydrophobicContact CG1-CG 4.01Å; V12-Q88 WeakPolarHBondContact CG1-O 3.36Å; D13-Q88 VanDerWaalsContact C-NE2 3.28Å; D13-Q88 PolarHBondContact O-NE2 3.3Å; S83-Q88 CarbonylContact C-O 3.51Å; S83-Q88 WeakPolarHBondContact CB-O 3.35Å; S83-Q88 CarbonylContact O-C 3.58Å; S83-Q88 PolarHBondContact O-N 3.38Å; L86-Q88 HydrophobicContact CB-CG 3.73Å; Q88-L90 PolarHBondContact O-N 3.31Å
89P89.7Confident91.8Very high66 Ų6647.1 Ų47.143%0.42923%0.227SC..  trans-71.1127.2-166.729.8-35000111.6N21 H84N21-P89 PolarHBondContact ND2-O 2.98Å; H84-P89 WeakPolarHBondContact ND1-CB 3.4Å
90L91Very high92.1Very high3 Ų347.1 Ų47.12%0.01623%0.227CC..  trans-73.5133160.4-72.2167.4000108.5V12 I14 F19 N21 A74 V79 S83 Q88V12-L90 HydrophobicContact CB-CD2 3.82Å; V12-L90 HydrophobicContact CB-CG 4.15Å; V12-L90 HydrophobicContact CG1-CD2 4.28Å; V12-L90 HydrophobicContact CG1-CG 4.04Å; V12-L90 HydrophobicContact CG2-CD2 3.75Å; V12-L90 HydrophobicContact CG2-CG 4.24Å; I14-L90 HydrophobicContact CD1-CD1 3.75Å; F19-L90 HydrophobicContact CB-CD1 4.04Å; F19-L90 HydrophobicContact CB-CD2 3.95Å; F19-L90 HydrophobicContact CD1-CD1 4.36Å; F19-L90 HydrophobicContact CG-CD1 4.14Å; N21-L90 HydrophobicContact CB-CD2 4.1Å; A74-L90 HydrophobicContact CB-CD1 3.8Å; V79-L90 HydrophobicContact CG1-CD1 3.94Å; S83-L90 PolarHBondContact OG-N 3.46Å; Q88-L90 PolarHBondContact O-N 3.31Å
91A84Confident92.3Very high58 Ų5847.1 Ų47.148%0.47923%0.226SC..SBendtrans-66.8-43.8-17500000112.3N21N21-A91 PolarHBondContact OD1-N 3.49Å
92H88.1Confident92.6Very high106 Ų10644 Ų4449%0.49121%0.213SC..  trans-141.1155-172.1-62.3-82.9000113.3T23T23-H92 WeakPolarHBondContact CG2-CD2 3.32Å
93R93.1Very high92.9Very high59 Ų5944 Ų4422%0.22321%0.213CC..  trans-81.3138162.4179.6-174.1174.6-160.2-6.6108.3A74 D75 G76 V80 P95 E218A74-R93 WeakPolarHBondContact O-CG 3.24Å; D75-R93 IonicContact OD1-NE 3.93Å; D75-R93 IonicContact OD1-NH2 2.75Å; D75-R93 PolarHBondContact OD1-NH2 3.04Å; G76-R93 VanDerWaalsContact CA-NE 3.29Å; V80-R93 HydrophobicContact CG2-CB 4.01Å; R93-P95 HydrophobicContact CG-CG 4.21Å; R93-E218 IonicContact NH2-OE2 3.77Å
94I94.3Very high93.1Very high1 Ų144 Ų441%0.00521%0.213CC..  trans-122.993.5173.9-58.6-179.4000107.5T22 M24 M27 V73 A74 G96 L99T22-I94 HydrophobicContact CG2-CD1 3.72Å; M24-I94 HydrophobicContact CE-CG2 3.63Å; M24-I94 HydrophobicContact SD-CG2 4.01Å; M27-I94 HydrophobicContact CG-CD1 3.89Å; V73-I94 HydrophobicContact CB-CB 4.08Å; V73-I94 HydrophobicContact CB-CD1 4.13Å; V73-I94 HydrophobicContact CB-CG2 4.28Å; V73-I94 HydrophobicContact CG1-CD1 4.05Å; V73-I94 HydrophobicContact CG2-CB 4.25Å; V73-I94 HydrophobicContact CG2-CG2 4.09Å; A74-I94 PolarHBondContact O-N 3.34Å; I94-G96 PolarHBondContact O-N 3.43Å; I94-L99 HydrophobicContact CG2-CB 4.11Å; I94-L99 HydrophobicContact CG2-CD2 4.12Å
95P92.3Very high93.4Very high10 Ų1042.4 Ų42.47%0.06521%0.205CC..  trans-66.1132.3179.8-19.533.2000111.3D75 R93 I97 E98 L99D75-P95 WeakPolarHBondContact OD1-CA 3.37Å; R93-P95 HydrophobicContact CG-CG 4.21Å; P95-I97 VanDerWaalsContact C-N 3.3Å; P95-I97 PolarHBondContact O-N 2.96Å; P95-E98 HydrophobicContact CB-CB 4.26Å; P95-E98 HydrophobicContact CB-CG 4.02Å; P95-E98 HydrophobicContact CG-CG 4.23Å; P95-E98 WeakPolarHBondContact CG-OE2 3.33Å; P95-E98 WeakPolarHBondContact O-CB 3.38Å; P95-E98 PolarHBondContact O-N 3.35Å; P95-L99 PolarHBondContact O-N 2.85Å
96G93.6Very high93.8Very high2 Ų236.9 Ų36.92%0.02118%0.184CC..Hα-helixtrans-59.8-37.3-174.300000114I94 E98 L99 M100I94-G96 PolarHBondContact O-N 3.43Å; G96-E98 VanDerWaalsContact C-N 3.28Å; G96-E98 PolarHBondContact O-N 3.12Å; G96-L99 PolarHBondContact O-N 3.34Å; G96-M100 WeakPolarHBondContact O-CB 3.27Å; G96-M100 PolarHBondContact O-N 2.95Å
97I93.9Very high94.2Very high7 Ų736.4 Ų36.44%0.03618%0.182CC..Hα-helixtrans-66.4-28.7175.5-167.4168.3000113.2P95 D101 V200 F201P95-I97 VanDerWaalsContact C-N 3.3Å; P95-I97 PolarHBondContact O-N 2.96Å; I97-D101 PolarHBondContact O-N 3.42Å; I97-V200 HydrophobicContact CD1-CB 3.75Å; I97-V200 HydrophobicContact CD1-CG1 3.64Å; I97-V200 HydrophobicContact CD1-CG2 4.14Å; I97-F201 HydrophobicContact CD1-CE2 4.43Å; I97-F201 HydrophobicContact CG1-CE2 3.97Å; I97-F201 HydrophobicContact CG1-CZ 4.17Å
98E95Very high94.6Very high67 Ų6730.8 Ų30.831%0.31316%0.158SC..Hα-helixtrans-78.7-41.8176.5-65.1178-170.700110.2M24 P95 G96 M100 D101 E102 R207M24-E98 HydrophobicContact CE-CB 3.67Å; P95-E98 HydrophobicContact CB-CB 4.26Å; P95-E98 HydrophobicContact CB-CG 4.02Å; P95-E98 HydrophobicContact CG-CG 4.23Å; P95-E98 WeakPolarHBondContact CG-OE2 3.33Å; P95-E98 WeakPolarHBondContact O-CB 3.38Å; P95-E98 PolarHBondContact O-N 3.35Å; G96-E98 VanDerWaalsContact C-N 3.28Å; G96-E98 PolarHBondContact O-N 3.12Å; E98-M100 VanDerWaalsContact C-N 3.31Å; E98-M100 PolarHBondContact O-N 3.29Å; E98-D101 WeakPolarHBondContact O-CB 3.3Å; E98-D101 PolarHBondContact O-N 3.37Å; E98-D101 VanDerWaalsContact O-N 3.11Å; E98-E102 PolarHBondContact O-N 3.37Å; E98-R207 IonicContact OE1-CZ 2.74Å; E98-R207 IonicContact OE1-NH2 3.69Å; E98-R207 PolarHBondContact OE1-NH2 3.41Å
99L97.5Very high95.1Very high0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-61.6-41.3174.2-177.257.6000111.3M24 M27 I31 I45 V73 I94 P95 G96 D101 E102 C103 M192M24-L99 HydrophobicContact CE-CB 4.13Å; M24-L99 HydrophobicContact SD-CB 4.16Å; M24-L99 HydrophobicContact SD-CD1 3.78Å; M27-L99 HydrophobicContact CB-CD1 4.05Å; M27-L99 HydrophobicContact CE-CD2 4.45Å; I31-L99 HydrophobicContact CD1-CD1 4.1Å; I45-L99 HydrophobicContact CG2-CD2 3.95Å; V73-L99 HydrophobicContact CG2-CD2 4.18Å; I94-L99 HydrophobicContact CG2-CB 4.11Å; I94-L99 HydrophobicContact CG2-CD2 4.12Å; P95-L99 PolarHBondContact O-N 2.85Å; G96-L99 PolarHBondContact O-N 3.34Å; L99-D101 VanDerWaalsContact C-N 3.31Å; L99-D101 PolarHBondContact O-N 2.9Å; L99-E102 PolarHBondContact O-N 2.91Å; L99-C103 PolarHBondContact O-N 2.84Å; L99-C103 PolarHBondContact O-SG 3.21Å; L99-M192 HydrophobicContact CD2-SD 3.81Å; L99-M192 HydrophobicContact CG-SD 4.03Å
100M98.1Very high95.5Very high0 Ų034.5 Ų34.50%018%0.18CC..Hα-helixtrans-57.2-44172.1-176.4-179.7170.300111.7G96 E98 E102 C103 L104 L116 L131 F167 M192 V194 L198 F201G96-M100 WeakPolarHBondContact O-CB 3.27Å; G96-M100 PolarHBondContact O-N 2.95Å; E98-M100 VanDerWaalsContact C-N 3.31Å; E98-M100 PolarHBondContact O-N 3.29Å; M100-E102 VanDerWaalsContact C-N 3.35Å; M100-E102 PolarHBondContact O-N 3.34Å; M100-C103 PolarHBondContact O-N 3.38Å; M100-L104 HydrophobicContact CE-CD1 4.17Å; M100-L104 HydrophobicContact CG-CD1 4.21Å; M100-L104 VanDerWaalsContact O-CG 3.25Å; M100-L104 WeakPolarHBondContact O-CG 3.4Å; M100-L104 PolarHBondContact O-N 3.07Å; M100-L116 HydrophobicContact CE-CD2 4.06Å; M100-L131 HydrophobicContact CE-CD1 4.16Å; M100-F167 HydrophobicContact CE-CB 4.25Å; M100-F167 HydrophobicContact CE-CD2 3.8Å; M100-F167 HydrophobicContact CE-CE2 4.41Å; M100-F167 HydrophobicContact CE-CG 4.06Å; M100-F167 HydrophobicContact CG-CD1 4.13Å; M100-F167 HydrophobicContact CG-CD2 4.17Å; M100-F167 HydrophobicContact CG-CE1 4.08Å; M100-F167 HydrophobicContact CG-CE2 4.09Å; M100-F167 HydrophobicContact CG-CG 4.19Å; M100-F167 HydrophobicContact CG-CZ 4.06Å; M100-F167 HydrophobicContact SD-CG 4.32Å; M100-M192 HydrophobicContact CB-CE 3.61Å; M100-M192 HydrophobicContact CG-CE 4.35Å; M100-V194 HydrophobicContact CB-CG1 4.35Å; M100-V194 HydrophobicContact CG-CG1 4.29Å; M100-V194 HydrophobicContact SD-CB 4.06Å; M100-V194 HydrophobicContact SD-CG1 3.78Å; M100-V194 HydrophobicContact SD-CG2 4.25Å; M100-L198 HydrophobicContact CE-CD2 4.05Å; M100-F201 HydrophobicContact CE-CD2 4.06Å; M100-F201 HydrophobicContact CE-CE2 3.91Å; M100-F201 HydrophobicContact CG-CE2 4.34Å; M100-F201 HydrophobicContact SD-CD2 4.18Å; M100-F201 HydrophobicContact SD-CE2 3.64Å
101D97.5Very high95.9Very high20 Ų2040.3 Ų40.311%0.10721%0.206CC..Hα-helixtrans-63.9-39.1178.2-159.856.7000111.9I97 E98 L99 L104 K105 R134 Y135I97-D101 PolarHBondContact O-N 3.42Å; E98-D101 WeakPolarHBondContact O-CB 3.3Å; E98-D101 PolarHBondContact O-N 3.37Å; E98-D101 VanDerWaalsContact O-N 3.11Å; L99-D101 VanDerWaalsContact C-N 3.31Å; L99-D101 PolarHBondContact O-N 2.9Å; D101-L104 PolarHBondContact O-N 3.25Å; D101-K105 WeakPolarHBondContact O-CG 3.34Å; D101-K105 PolarHBondContact O-N 3.47Å; D101-K105 VanDerWaalsContact O-N 3.08Å; D101-R134 IonicContact OD1-CZ 3.68Å; D101-R134 IonicContact OD1-NH1 2.87Å; D101-R134 PolarHBondContact OD1-NH1 3.41Å; D101-R134 IonicContact OD1-NH2 2.86Å; D101-R134 PolarHBondContact OD1-NH2 2.86Å; D101-R134 VanDerWaalsContact OD1-NH2 3.15Å; D101-R134 IonicContact OD2-CZ 2.66Å; D101-R134 IonicContact OD2-NH1 3.3Å; D101-R134 IonicContact OD2-NH2 3.18Å; D101-R134 PolarHBondContact OD2-NH2 3.2Å; D101-Y135 VanDerWaalsContact CG-OH 3.31Å; D101-Y135 PolarHBondContact OD1-OH 3.3Å
102E98.4Very high96.5Very high55 Ų5538.1 Ų38.126%0.25719%0.186SC..Hα-helixtrans-66.3-42.6174.3-63.9-54.9145.100112.4M24 V28 E98 L99 M100 L104 K105 I106M24-E102 HydrophobicContact CG-CG 4.26Å; M24-E102 HydrophobicContact SD-CG 4.01Å; V28-E102 HydrophobicContact CG2-CB 3.58Å; V28-E102 HydrophobicContact CG2-CG 3.9Å; E98-E102 PolarHBondContact O-N 3.37Å; L99-E102 PolarHBondContact O-N 2.91Å; M100-E102 VanDerWaalsContact C-N 3.35Å; M100-E102 PolarHBondContact O-N 3.34Å; E102-L104 VanDerWaalsContact C-N 3.28Å; E102-L104 PolarHBondContact O-N 3.39Å; E102-K105 VanDerWaalsContact CD-NZ 3.27Å; E102-K105 WeakPolarHBondContact O-CB 3.42Å; E102-K105 PolarHBondContact O-N 3.36Å; E102-K105 VanDerWaalsContact O-N 3.14Å; E102-K105 IonicContact OE1-NZ 3.24Å; E102-K105 PolarHBondContact OE1-NZ 3.16Å; E102-K105 WeakPolarHBondContact OE2-CD 3.34Å; E102-K105 IonicContact OE2-NZ 3.92Å; E102-K105 PolarHBondContact OE2-NZ 3.44Å; E102-I106 WeakPolarHBondContact O-CG1 3.43Å; E102-I106 PolarHBondContact O-N 3.15Å; E102-I106 VanDerWaalsContact O-N 3.11Å
103C98.7Very high97.1Very high1 Ų136.7 Ų36.71%0.00718%0.179CC..Hα-helixtrans-57.7-42.6173.1-66.60000111.7I31 L99 M100 K105 I106 A107 Y165 F167I31-C103 VanDerWaalsContact CD1-SG 3.58Å; L99-C103 PolarHBondContact O-N 2.84Å; L99-C103 PolarHBondContact O-SG 3.21Å; M100-C103 PolarHBondContact O-N 3.38Å; C103-K105 VanDerWaalsContact C-N 3.32Å; C103-K105 PolarHBondContact O-N 3.43Å; C103-I106 WeakPolarHBondContact O-CB 3.47Å; C103-I106 PolarHBondContact O-N 3.26Å; C103-A107 WeakPolarHBondContact O-CB 3.35Å; C103-A107 PolarHBondContact O-N 2.94Å; C103-Y165 HydrophobicContact CB-CD1 4.06Å; C103-Y165 HydrophobicContact CB-CE1 3.68Å; C103-F167 HydrophobicContact CB-CE1 4.32Å; C103-F167 HydrophobicContact CB-CZ 3.64Å
104L98.8Very high97.3Very high0 Ų033.9 Ų33.90%017%0.168CC..Hα-helixtrans-63.9-35.7177.1-69.6168.2000112.1M100 D101 E102 A107 H108 V114 L131 Y135 I138 F140 F167M100-L104 HydrophobicContact CE-CD1 4.17Å; M100-L104 HydrophobicContact CG-CD1 4.21Å; M100-L104 VanDerWaalsContact O-CG 3.25Å; M100-L104 WeakPolarHBondContact O-CG 3.4Å; M100-L104 PolarHBondContact O-N 3.07Å; D101-L104 PolarHBondContact O-N 3.25Å; E102-L104 VanDerWaalsContact C-N 3.28Å; E102-L104 PolarHBondContact O-N 3.39Å; L104-A107 PolarHBondContact O-N 2.88Å; L104-H108 VanDerWaalsContact O-CB 3.32Å; L104-H108 WeakPolarHBondContact O-CB 3.37Å; L104-H108 PolarHBondContact O-N 3.43Å; L104-V114 HydrophobicContact CD2-CG1 4.1Å; L104-V114 HydrophobicContact CD2-CG2 4.13Å; L104-L131 HydrophobicContact CD1-CD1 4.28Å; L104-L131 HydrophobicContact CD1-CD2 3.71Å; L104-Y135 HydrophobicContact CB-CD2 3.96Å; L104-Y135 HydrophobicContact CB-CE2 3.67Å; L104-Y135 HydrophobicContact CD1-CD2 4.35Å; L104-Y135 HydrophobicContact CD1-CE2 3.96Å; L104-Y135 HydrophobicContact CG-CE2 4.42Å; L104-I138 HydrophobicContact CB-CD1 4.35Å; L104-I138 HydrophobicContact CD2-CD1 3.94Å; L104-I138 WeakPolarHBondContact O-CD1 3.48Å; L104-F140 HydrophobicContact CD2-CE1 3.91Å; L104-F140 HydrophobicContact CD2-CZ 3.97Å; L104-F167 HydrophobicContact CD2-CE2 3.99Å; L104-F167 HydrophobicContact CG-CE2 4.25Å
105K98.7Very high97.5Very high78 Ų7833.8 Ų33.834%0.33917%0.168SC..Hα-helixtrans-63.6-42.7173-67.1169.2-164.3170.20111.8D101 E102 C103 A107 H108 V109 Y135D101-K105 WeakPolarHBondContact O-CG 3.34Å; D101-K105 PolarHBondContact O-N 3.47Å; D101-K105 VanDerWaalsContact O-N 3.08Å; E102-K105 VanDerWaalsContact CD-NZ 3.27Å; E102-K105 WeakPolarHBondContact O-CB 3.42Å; E102-K105 PolarHBondContact O-N 3.36Å; E102-K105 VanDerWaalsContact O-N 3.14Å; E102-K105 IonicContact OE1-NZ 3.24Å; E102-K105 PolarHBondContact OE1-NZ 3.16Å; E102-K105 WeakPolarHBondContact OE2-CD 3.34Å; E102-K105 IonicContact OE2-NZ 3.92Å; E102-K105 PolarHBondContact OE2-NZ 3.44Å; C103-K105 VanDerWaalsContact C-N 3.32Å; C103-K105 PolarHBondContact O-N 3.43Å; K105-A107 VanDerWaalsContact C-N 3.35Å; K105-H108 PolarHBondContact O-N 2.97Å; K105-V109 WeakPolarHBondContact O-CG2 3.31Å; K105-V109 PolarHBondContact O-N 2.58Å; K105-V109 VanDerWaalsContact O-N 3.14Å; K105-Y135 HydrophobicContact CG-CE1 3.97Å
106I98.5Very high97.8Very high11 Ų1133.3 Ų33.36%0.05617%0.165CC..Hα-helixtrans-60.6-47.9174.9-59.8167000109.6V28 I31 K32 E102 C103 H108 V109 N110 Y165V28-I106 HydrophobicContact CG1-CD1 4.18Å; I31-I106 HydrophobicContact CB-CD1 4.16Å; I31-I106 HydrophobicContact CG2-CD1 3.75Å; K32-I106 HydrophobicContact CG-CD1 4.04Å; K32-I106 HydrophobicContact CG-CG1 4.3Å; K32-I106 HydrophobicContact CG-CG2 4.37Å; E102-I106 WeakPolarHBondContact O-CG1 3.43Å; E102-I106 PolarHBondContact O-N 3.15Å; E102-I106 VanDerWaalsContact O-N 3.11Å; C103-I106 WeakPolarHBondContact O-CB 3.47Å; C103-I106 PolarHBondContact O-N 3.26Å; I106-H108 VanDerWaalsContact C-N 3.3Å; I106-H108 PolarHBondContact O-N 2.94Å; I106-V109 PolarHBondContact O-N 3.42Å; I106-N110 PolarHBondContact O-N 2.91Å; I106-N110 VanDerWaalsContact O-N 3.13Å; I106-N110 PolarHBondContact O-ND2 2.7Å; I106-Y165 WeakPolarHBondContact CG2-OH 3.43Å
107A98.8Very high98Very high0 Ų033.2 Ų33.20%016%0.164CC..Hα-helixtrans-59.2-41.5179.300000112.6C103 L104 K105 N110 H111 Q112 V114 I138 Y165C103-A107 WeakPolarHBondContact O-CB 3.35Å; C103-A107 PolarHBondContact O-N 2.94Å; L104-A107 PolarHBondContact O-N 2.88Å; K105-A107 VanDerWaalsContact C-N 3.35Å; A107-N110 CarbonylContact O-C 3.58Å; A107-N110 PolarHBondContact O-N 3.13Å; A107-H111 PolarHBondContact O-N 2.88Å; A107-Q112 HydrophobicContact CB-CB 3.94Å; A107-Q112 PolarHBondContact O-N 3.24Å; A107-V114 HydrophobicContact CB-CG2 3.95Å; A107-I138 HydrophobicContact CB-CD1 3.77Å; A107-I138 HydrophobicContact CB-CG1 4.01Å; A107-Y165 HydrophobicContact CB-CD2 4.05Å; A107-Y165 HydrophobicContact CB-CE2 3.6Å
108H98.7Very high98.2Very high46 Ų4632.9 Ų32.921%0.21316%0.162CC..Hα-helixtrans-63.3-44.5178.717966.3000112.6L104 K105 I106 N110 Y135 N137 I138L104-H108 VanDerWaalsContact O-CB 3.32Å; L104-H108 WeakPolarHBondContact O-CB 3.37Å; L104-H108 PolarHBondContact O-N 3.43Å; K105-H108 PolarHBondContact O-N 2.97Å; I106-H108 VanDerWaalsContact C-N 3.3Å; I106-H108 PolarHBondContact O-N 2.94Å; H108-N110 VanDerWaalsContact C-N 3.28Å; H108-N110 PolarHBondContact O-N 3Å; H108-Y135 HydrophobicContact CB-CD1 3.84Å; H108-Y135 HydrophobicContact CB-CG 4.37Å; H108-Y135 AromaticContact CG-CD1 3.98Å; H108-N137 VanDerWaalsContact CE1-CG 3.47Å; H108-N137 PolarHBondContact CE1-ND2 3.06Å; H108-N137 WeakPolarHBondContact ND1-CB 3.39Å; H108-N137 PolarHBondContact ND1-N 3.36Å; H108-N137 VanDerWaalsContact O-CB 3.25Å; H108-N137 WeakPolarHBondContact O-CB 3.26Å; H108-I138 HydrophobicContact CB-CD1 4.14Å; H108-I138 HydrophobicContact CB-CG1 3.98Å
109V98.5Very high98.2Very high103 Ų10330.2 Ų30.262%0.62415%0.151SC*.Hα-helixtrans-64.9-35.3178.2171.20000111.3K105 I106K105-V109 WeakPolarHBondContact O-CG2 3.31Å; K105-V109 PolarHBondContact O-N 2.58Å; K105-V109 VanDerWaalsContact O-N 3.14Å; I106-V109 PolarHBondContact O-N 3.42Å
110N98.2Very high98Very high97 Ų9732.3 Ų32.352%0.51916%0.164SC..THydrogen-bonded Turntrans-100.210.5-173.4-64.3-66.4000114.4I106 A107 H108 Q112I106-N110 PolarHBondContact O-N 2.91Å; I106-N110 VanDerWaalsContact O-N 3.13Å; I106-N110 PolarHBondContact O-ND2 2.7Å; A107-N110 CarbonylContact O-C 3.58Å; A107-N110 PolarHBondContact O-N 3.13Å; H108-N110 VanDerWaalsContact C-N 3.28Å; H108-N110 PolarHBondContact O-N 3Å; N110-Q112 HydrophobicContact CB-CG 3.77Å; N110-Q112 PolarHBondContact O-N 3.3Å
111H98.6Very high98Very high125 Ų12535.1 Ų35.158%0.57918%0.179SC*.THydrogen-bonded Turntrans54.635-178.7-59.6-95.3000114.3A107 N137A107-H111 PolarHBondContact O-N 2.88Å; H111-N137 WeakPolarHBondContact CA-O 3.44Å
112Q98.5Very high97.9Very high13 Ų1340.4 Ų40.46%0.06120%0.203CC..  trans-79.4165.8-174.1-67.4-176.4-72.900112.4F35 A107 N110 I138 S139 D164 Y165F35-Q112 VanDerWaalsContact CD1-NE2 3.3Å; A107-Q112 HydrophobicContact CB-CB 3.94Å; A107-Q112 PolarHBondContact O-N 3.24Å; N110-Q112 HydrophobicContact CB-CG 3.77Å; N110-Q112 PolarHBondContact O-N 3.3Å; Q112-I138 WeakPolarHBondContact O-CG2 3.45Å; Q112-S139 PolarHBondContact O-N 2.88Å; Q112-D164 WeakPolarHBondContact CA-OD2 3.32Å; Q112-D164 HydrophobicContact CB-CB 3.89Å; Q112-D164 WeakPolarHBondContact CB-OD2 3.39Å; Q112-D164 HydrophobicContact CG-CB 4.23Å; Q112-D164 PolarHBondContact NE2-OD1 2.84Å; Q112-Y165 HydrophobicContact CB-CE2 4.18Å; Q112-Y165 VanDerWaalsContact OE1-CE2 3.31Å; Q112-Y165 PolarHBondContact OE1-OH 3.46Å
113K98.8Very high97.8Very high75 Ų7539 Ų3933%0.32620%0.198SC..EExtended strand (participates in β ladder)trans-100.2129.8-180-68.2172.2170.9-170.30111S139 F161 K162 D164 Y165K113-S139 CarbonylContact C-O 3.4Å; K113-S139 VanDerWaalsContact CA-O 3.32Å; K113-S139 WeakPolarHBondContact CA-O 3.49Å; K113-F161 HydrophobicContact CB-CD1 4.5Å; K113-F161 HydrophobicContact CB-CE1 3.74Å; K113-F161 HydrophobicContact CB-CZ 3.94Å; K113-F161 WeakPolarHBondContact CD-O 3.47Å; K113-F161 HydrophobicContact CG-CE1 4.49Å; K113-F161 HydrophobicContact CG-CZ 4.29Å; K113-F161 PolarHBondContact NZ-O 3.37Å; K113-K162 WeakPolarHBondContact CD-O 3.25Å; K113-D164 PolarHBondContact N-OD2 2.84Å; K113-D164 PolarHBondContact O-N 2.91Å; K113-Y165 PolarHBondContact O-N 3.3Å; K113-Y165 VanDerWaalsContact O-N 3.1Å
114V98.9Very high97.8Very high0 Ų038.9 Ų38.90%020%0.198CC..EExtended strand (participates in β ladder)trans-122.9123.8-178.5177.50000110.1L104 A107 L116 I138 S139 F140 A141 Y165 F167L104-V114 HydrophobicContact CD2-CG1 4.1Å; L104-V114 HydrophobicContact CD2-CG2 4.13Å; A107-V114 HydrophobicContact CB-CG2 3.95Å; V114-L116 HydrophobicContact CG1-CD2 3.9Å; V114-I138 HydrophobicContact CB-CG2 3.79Å; V114-I138 HydrophobicContact CG2-CD1 4.4Å; V114-I138 HydrophobicContact CG2-CG2 3.49Å; V114-I138 VanDerWaalsContact CG2-CG2 3.49Å; V114-S139 PolarHBondContact N-O 3.25Å; V114-F140 HydrophobicContact CB-CD1 3.72Å; V114-F140 HydrophobicContact CB-CE1 3.71Å; V114-F140 HydrophobicContact CG1-CD1 3.87Å; V114-F140 HydrophobicContact CG1-CE1 3.68Å; V114-F140 HydrophobicContact CG2-CE1 4.34Å; V114-F140 WeakPolarHBondContact O-CA 3.34Å; V114-A141 PolarHBondContact O-N 3.22Å; V114-Y165 HydrophobicContact CG2-CD2 3.95Å; V114-Y165 HydrophobicContact CG2-CG 4.34Å; V114-F167 HydrophobicContact CG1-CD2 3.68Å; V114-F167 HydrophobicContact CG1-CE2 3.8Å
115F98.7Very high97.7Very high0 Ų043.2 Ų43.20%022%0.218CC..EExtended strand (participates in β ladder)trans-101.5128.6172.3-159.9-80.3000111L117 A141 H143 I158 F161 P163 Y165 I166 F167F115-L117 HydrophobicContact CD1-CB 4.16Å; F115-L117 HydrophobicContact CE1-CB 4.09Å; F115-A141 CarbonylContact C-O 3.54Å; F115-A141 WeakPolarHBondContact CA-O 3.44Å; F115-A141 HydrophobicContact CD2-CB 3.73Å; F115-A141 HydrophobicContact CE2-CB 3.85Å; F115-H143 HydrophobicContact CE1-CB 3.92Å; F115-H143 HydrophobicContact CZ-CB 3.85Å; F115-I158 HydrophobicContact CB-CG2 4.47Å; F115-I158 HydrophobicContact CD1-CD1 4.05Å; F115-I158 HydrophobicContact CD1-CG1 3.78Å; F115-I158 HydrophobicContact CD2-CB 4.38Å; F115-I158 HydrophobicContact CD2-CG1 3.92Å; F115-I158 HydrophobicContact CD2-CG2 4.26Å; F115-I158 HydrophobicContact CE1-CD1 3.81Å; F115-I158 HydrophobicContact CE1-CG1 3.49Å; F115-I158 VanDerWaalsContact CE1-CG1 3.49Å; F115-I158 HydrophobicContact CE2-CB 4.36Å; F115-I158 HydrophobicContact CE2-CG1 3.64Å; F115-I158 HydrophobicContact CG-CG1 3.99Å; F115-I158 HydrophobicContact CG-CG2 4.17Å; F115-I158 HydrophobicContact CZ-CD1 4.2Å; F115-I158 HydrophobicContact CZ-CG1 3.41Å; F115-I158 VanDerWaalsContact CZ-CG1 3.41Å; F115-F161 HydrophobicContact CB-CD1 4.33Å; F115-F161 HydrophobicContact CB-CE1 4.42Å; F115-F161 HydrophobicContact CD2-CB 4.48Å; F115-F161 AromaticContact CD2-CD1 3.89Å; F115-F161 HydrophobicContact CD2-CD1 3.89Å; F115-F161 HydrophobicContact CD2-CE1 4.45Å; F115-F161 HydrophobicContact CD2-CG 4.34Å; F115-P163 HydrophobicContact CB-CB 4.02Å; F115-P163 HydrophobicContact CB-CG 4.39Å; F115-Y165 PolarHBondContact N-O 2.95Å; F115-I166 HydrophobicContact CB-CG1 4.35Å; F115-F167 PolarHBondContact O-N 2.88Å
116L98.7Very high97.7Very high0 Ų041.3 Ų41.30%022%0.217CC..EExtended strand (participates in β ladder)trans-105.2111.8175.9-53178.5000109.6M100 V114 V124 Q128 L131 F140 A141 H142 H143 F167 L198M100-L116 HydrophobicContact CE-CD2 4.06Å; V114-L116 HydrophobicContact CG1-CD2 3.9Å; L116-V124 HydrophobicContact CB-CG2 3.81Å; L116-Q128 HydrophobicContact CD1-CB 4.09Å; L116-L131 HydrophobicContact CD1-CD1 3.92Å; L116-L131 HydrophobicContact CD2-CD1 4.4Å; L116-F140 HydrophobicContact CD1-CD1 4.29Å; L116-F140 HydrophobicContact CG-CD1 4.37Å; L116-A141 PolarHBondContact N-O 2.91Å; L116-H142 HydrophobicContact CB-CB 4.09Å; L116-H142 CarbonylContact O-C 3.58Å; L116-H142 WeakPolarHBondContact O-CA 3.39Å; L116-H142 WeakPolarHBondContact O-CB 3.46Å; L116-H143 PolarHBondContact O-N 2.91Å; L116-F167 HydrophobicContact CD2-CB 4.19Å; L116-F167 HydrophobicContact CD2-CD2 4.04Å; L116-L198 HydrophobicContact CB-CD2 4.44Å; L116-L198 HydrophobicContact CD2-CD2 4.16Å
117L97.7Very high97.7Very high0 Ų040.8 Ų40.80%021%0.214CC..EExtended strand (participates in β ladder)trans-113.9109.7177.8175.962.9000109.8F115 H143 I147 V154 I158 F167 V168 G169 M170 W178F115-L117 HydrophobicContact CD1-CB 4.16Å; F115-L117 HydrophobicContact CE1-CB 4.09Å; L117-H143 WeakPolarHBondContact CA-O 3.25Å; L117-H143 HydrophobicContact CD1-CB 3.91Å; L117-I147 HydrophobicContact CD1-CD1 4.17Å; L117-I147 HydrophobicContact CD2-CD1 4.41Å; L117-V154 HydrophobicContact CD1-CG1 3.91Å; L117-I158 HydrophobicContact CD2-CD1 4.34Å; L117-F167 PolarHBondContact N-O 2.8Å; L117-V168 HydrophobicContact CD2-CG1 4.28Å; L117-V168 HydrophobicContact CD2-CG2 4.46Å; L117-V168 HydrophobicContact CG-CG1 4.45Å; L117-V168 CarbonylContact O-C 3.44Å; L117-V168 WeakPolarHBondContact O-CA 3.09Å; L117-G169 PolarHBondContact O-N 3.15Å; L117-M170 HydrophobicContact CD2-CE 4.38Å; L117-W178 HydrophobicContact CD2-CD2 3.69Å; L117-W178 VanDerWaalsContact CD2-CE2 3.46Å; L117-W178 HydrophobicContact CD2-CE3 3.91Å; L117-W178 HydrophobicContact CD2-CG 4.43Å; L117-W178 HydrophobicContact CD2-CH2 3.76Å; L117-W178 HydrophobicContact CD2-CZ2 3.5Å; L117-W178 HydrophobicContact CD2-CZ3 3.95Å
118G97Very high97.6Very high0 Ų042.9 Ų42.90%022%0.224CC..EExtended strand (participates in β ladder)trans159.7-178.3179.600000114.7V124 H143 H144 G145 G169G118-V124 WeakPolarHBondContact O-CB 3.25Å; G118-H143 PolarHBondContact N-O 3.06Å; G118-H144 WeakPolarHBondContact O-CA 3.37Å; G118-G145 VanDerWaalsContact C-N 3.26Å; G118-G145 PolarHBondContact O-N 3.08Å; G118-G169 WeakPolarHBondContact CA-O 3.22Å
119A94.3Very high97.6Very high11 Ų1148.4 Ų48.49%0.09124%0.244CC..SBendtrans51.4-168.3179.400000114.6V123 G145 Y146 G169 L198A119-V123 HydrophobicContact CB-CB 3.72Å; A119-V123 HydrophobicContact CB-CG1 3.46Å; A119-V123 VanDerWaalsContact CB-CG1 3.46Å; A119-G145 PolarHBondContact O-N 3.28Å; A119-Y146 VanDerWaalsContact O-CD2 3.29Å; A119-Y146 WeakPolarHBondContact O-CD2 3.3Å; A119-Y146 WeakPolarHBondContact O-CE2 3.46Å; A119-G169 PolarHBondContact N-O 2.87Å; A119-G169 VanDerWaalsContact N-O 3.08Å; A119-L198 HydrophobicContact CB-CB 4.41Å
120T95.2Very high97.6Very high43 Ų4345.4 Ų45.426%0.26423%0.23SC..  trans-77.5165.4168.772.60000109.5E122 V123 V124 Y146T120-E122 VanDerWaalsContact C-N 3.3Å; T120-E122 WeakPolarHBondContact CB-OE2 3.31Å; T120-E122 PolarHBondContact O-N 2.92Å; T120-E122 PolarHBondContact OG1-OE2 3.25Å; T120-V123 PolarHBondContact O-N 3.13Å; T120-V123 WeakPolarHBondContact OG1-CG2 3.28Å; T120-V123 PolarHBondContact OG1-N 3.34Å; T120-V124 PolarHBondContact O-N 3.49Å; T120-Y146 HydrophobicContact CG2-CD2 4.37Å; T120-Y146 HydrophobicContact CG2-CE2 3.5Å
121N96.1Very high97.6Very high60 Ų6040.8 Ų40.832%0.32121%0.205SC..Hα-helixtrans-58.7-44.5179.7-162.862.1000111.6V123 V124 E125 H144N121-V123 VanDerWaalsContact C-N 3.31Å; N121-V123 PolarHBondContact O-N 2.9Å; N121-V124 WeakPolarHBondContact O-CG1 3.47Å; N121-V124 PolarHBondContact O-N 3.13Å; N121-E125 VanDerWaalsContact ND2-CD 3.32Å; N121-E125 PolarHBondContact ND2-OE1 2.82Å; N121-E125 VanDerWaalsContact O-CB 3.31Å; N121-E125 WeakPolarHBondContact O-CB 3.24Å; N121-E125 VanDerWaalsContact O-CG 3.31Å; N121-E125 WeakPolarHBondContact O-CG 3.31Å; N121-E125 PolarHBondContact O-N 3.36Å; N121-H144 HydrophobicContact CB-CB 4.25Å
122E96.7Very high97.6Very high131 Ų13137.6 Ų37.661%0.61219%0.191SC*.Hα-helixtrans-62.5-39.6179.9-51.475.2-163.100111.7T120 A126T120-E122 VanDerWaalsContact C-N 3.3Å; T120-E122 WeakPolarHBondContact CB-OE2 3.31Å; T120-E122 PolarHBondContact O-N 2.92Å; T120-E122 PolarHBondContact OG1-OE2 3.25Å; E122-A126 VanDerWaalsContact O-CB 3.26Å; E122-A126 WeakPolarHBondContact O-CB 3.47Å; E122-A126 PolarHBondContact O-N 3.42Å; E122-A126 VanDerWaalsContact O-N 3.07Å
123V96.1Very high97.6Very high24 Ų2442.9 Ų42.915%0.14522%0.215CC..Hα-helixtrans-70.8-46.5-179.91710000111.1A119 T120 N121 E125 A126 A127 E199 A202 A204A119-V123 HydrophobicContact CB-CB 3.72Å; A119-V123 HydrophobicContact CB-CG1 3.46Å; A119-V123 VanDerWaalsContact CB-CG1 3.46Å; T120-V123 PolarHBondContact O-N 3.13Å; T120-V123 WeakPolarHBondContact OG1-CG2 3.28Å; T120-V123 PolarHBondContact OG1-N 3.34Å; N121-V123 VanDerWaalsContact C-N 3.31Å; N121-V123 PolarHBondContact O-N 2.9Å; V123-E125 VanDerWaalsContact C-N 3.35Å; V123-A126 PolarHBondContact O-N 2.89Å; V123-A127 WeakPolarHBondContact O-CB 3.28Å; V123-A127 PolarHBondContact O-N 2.98Å; V123-E199 HydrophobicContact CG1-CB 4.37Å; V123-E199 HydrophobicContact CG1-CG 4.03Å; V123-A202 HydrophobicContact CG1-CB 3.83Å; V123-A202 WeakPolarHBondContact O-CB 3.39Å; V123-A204 HydrophobicContact CG2-CB 4.39Å
124V97.8Very high97.5Very high0 Ų045.4 Ų45.40%022%0.223CC..Hα-helixtrans-71-34-176.774.40000111.7L116 G118 T120 N121 A127 Q128 H142 L198L116-V124 HydrophobicContact CB-CG2 3.81Å; G118-V124 WeakPolarHBondContact O-CB 3.25Å; T120-V124 PolarHBondContact O-N 3.49Å; N121-V124 WeakPolarHBondContact O-CG1 3.47Å; N121-V124 PolarHBondContact O-N 3.13Å; V124-A127 PolarHBondContact O-N 2.87Å; V124-Q128 WeakPolarHBondContact O-CB 3.36Å; V124-Q128 PolarHBondContact O-N 2.73Å; V124-H142 HydrophobicContact CG1-CB 4.27Å; V124-H142 HydrophobicContact CG2-CB 3.74Å; V124-L198 HydrophobicContact CG2-CD1 4.21Å
125E98Very high97.5Very high90 Ų9046 Ų4642%0.42123%0.225SC..Hα-helixtrans-61.6-48.4170.6-78.7176.9-178.700111.4N121 V123 A127 Q128 Y129 H142N121-E125 VanDerWaalsContact ND2-CD 3.32Å; N121-E125 PolarHBondContact ND2-OE1 2.82Å; N121-E125 VanDerWaalsContact O-CB 3.31Å; N121-E125 WeakPolarHBondContact O-CB 3.24Å; N121-E125 VanDerWaalsContact O-CG 3.31Å; N121-E125 WeakPolarHBondContact O-CG 3.31Å; N121-E125 PolarHBondContact O-N 3.36Å; V123-E125 VanDerWaalsContact C-N 3.35Å; E125-A127 VanDerWaalsContact C-N 3.33Å; E125-A127 PolarHBondContact O-N 3.35Å; E125-Q128 PolarHBondContact O-N 2.7Å; E125-Y129 PolarHBondContact O-N 3.28Å; E125-H142 WeakPolarHBondContact CG-NE2 3.36Å; E125-H142 IonicContact OE1-NE2 2.88Å
126A98.1Very high97.5Very high39 Ų3949.8 Ų49.832%0.32225%0.25SC..Hα-helixtrans-63.1-39.2176.800000112.2E122 V123 Y129 A130 A202E122-A126 VanDerWaalsContact O-CB 3.26Å; E122-A126 WeakPolarHBondContact O-CB 3.47Å; E122-A126 PolarHBondContact O-N 3.42Å; E122-A126 VanDerWaalsContact O-N 3.07Å; V123-A126 PolarHBondContact O-N 2.89Å; A126-Y129 PolarHBondContact O-N 3.03Å; A126-A130 WeakPolarHBondContact O-CB 3.36Å; A126-A130 PolarHBondContact O-N 3.41Å; A126-A202 HydrophobicContact CB-CB 3.9Å
127A97.8Very high97.5Very high0 Ų053 Ų530%027%0.267CS..Hα-helixtrans-62.9-46.2174.500000111.3V123 V124 E125 Y129 A130 L131 L198 F201 A202V123-A127 WeakPolarHBondContact O-CB 3.28Å; V123-A127 PolarHBondContact O-N 2.98Å; V124-A127 PolarHBondContact O-N 2.87Å; E125-A127 VanDerWaalsContact C-N 3.33Å; E125-A127 PolarHBondContact O-N 3.35Å; A127-Y129 PolarHBondContact O-N 3.08Å; A127-A130 PolarHBondContact O-N 3.43Å; A127-L131 VanDerWaalsContact O-CB 3.32Å; A127-L131 WeakPolarHBondContact O-CB 3.37Å; A127-L131 VanDerWaalsContact O-CG 3.23Å; A127-L131 WeakPolarHBondContact O-CG 2.88Å; A127-L131 PolarHBondContact O-N 2.82Å; A127-L198 HydrophobicContact CB-CB 4.45Å; A127-F201 HydrophobicContact CB-CB 4.25Å; A127-A202 HydrophobicContact CB-CB 4.1Å
128Q98.4Very high97.5Very high43 Ų4353.2 Ų53.220%0.20127%0.268CS..Hα-helixtrans-58.5-48.8175.6-178.2-178.7-78.100110.6L116 V124 E125 A130 L131 Q132 F140 A141 H142L116-Q128 HydrophobicContact CD1-CB 4.09Å; V124-Q128 WeakPolarHBondContact O-CB 3.36Å; V124-Q128 PolarHBondContact O-N 2.73Å; E125-Q128 PolarHBondContact O-N 2.7Å; Q128-A130 PolarHBondContact O-N 3.11Å; Q128-L131 PolarHBondContact O-N 3.43Å; Q128-Q132 WeakPolarHBondContact O-CB 3.43Å; Q128-Q132 PolarHBondContact O-N 3.26Å; Q128-F140 HydrophobicContact CG-CB 3.68Å; Q128-F140 HydrophobicContact CG-CG 4.29Å; Q128-A141 VanDerWaalsContact OE1-C 3.26Å; Q128-H142 PolarHBondContact OE1-ND1 3.46Å
129Y98.3Very high97.6Very high162 Ų16256 Ų5664%0.63529%0.288SS*.Hα-helixtrans-57.6-50.3-179.6179.7-96000111.3E125 A126 A127 L131 Q132 Q133E125-Y129 PolarHBondContact O-N 3.28Å; A126-Y129 PolarHBondContact O-N 3.03Å; A127-Y129 PolarHBondContact O-N 3.08Å; Y129-L131 VanDerWaalsContact C-N 3.34Å; Y129-L131 PolarHBondContact O-N 2.91Å; Y129-Q132 PolarHBondContact O-N 3.32Å; Y129-Q133 HydrophobicContact CE1-CG 4.29Å; Y129-Q133 WeakPolarHBondContact O-CG 3.17Å; Y129-Q133 PolarHBondContact O-N 3.39Å
130A97.9Very high97.8Very high40 Ų4056.5 Ų56.533%0.33129%0.288SS..Hα-helixtrans-61.6-40.5178.700000112.7A126 A127 Q128 R134 F201A126-A130 WeakPolarHBondContact O-CB 3.36Å; A126-A130 PolarHBondContact O-N 3.41Å; A127-A130 PolarHBondContact O-N 3.43Å; Q128-A130 PolarHBondContact O-N 3.11Å; A130-R134 PolarHBondContact O-N 3.06Å; A130-F201 WeakPolarHBondContact CB-O 3.13Å
131L98.1Very high98Very high1 Ų155.2 Ų55.21%0.00528%0.281CS..Hα-helixtrans-69.9-38.4178.1-72.6175.7000112.5M100 L104 L116 A127 Q128 Y129 Q133 R134 Y135 F140 F201M100-L131 HydrophobicContact CE-CD1 4.16Å; L104-L131 HydrophobicContact CD1-CD1 4.28Å; L104-L131 HydrophobicContact CD1-CD2 3.71Å; L116-L131 HydrophobicContact CD1-CD1 3.92Å; L116-L131 HydrophobicContact CD2-CD1 4.4Å; A127-L131 VanDerWaalsContact O-CB 3.32Å; A127-L131 WeakPolarHBondContact O-CB 3.37Å; A127-L131 VanDerWaalsContact O-CG 3.23Å; A127-L131 WeakPolarHBondContact O-CG 2.88Å; A127-L131 PolarHBondContact O-N 2.82Å; Q128-L131 PolarHBondContact O-N 3.43Å; Y129-L131 VanDerWaalsContact C-N 3.34Å; Y129-L131 PolarHBondContact O-N 2.91Å; L131-Q133 VanDerWaalsContact C-N 3.3Å; L131-Q133 PolarHBondContact O-N 2.85Å; L131-R134 PolarHBondContact O-N 2.65Å; L131-R134 VanDerWaalsContact O-N 3.14Å; L131-Y135 HydrophobicContact CD2-CD2 4.28Å; L131-Y135 HydrophobicContact CD2-CE2 4.23Å; L131-Y135 PolarHBondContact O-N 3.08Å; L131-F140 HydrophobicContact CB-CE1 4.08Å; L131-F140 HydrophobicContact CB-CE2 4.21Å; L131-F140 HydrophobicContact CB-CZ 3.7Å; L131-F140 HydrophobicContact CD1-CE1 4.28Å; L131-F201 HydrophobicContact CD1-CB 4.46Å; L131-F201 HydrophobicContact CD1-CG 4.39Å; L131-F201 HydrophobicContact CD2-CB 4.41Å; L131-F201 HydrophobicContact CD2-CD1 3.57Å; L131-F201 HydrophobicContact CD2-CD2 4.47Å; L131-F201 HydrophobicContact CD2-CE1 3.85Å; L131-F201 HydrophobicContact CD2-CG 3.92Å; L131-F201 HydrophobicContact CD2-CZ 4.41Å; L131-F201 HydrophobicContact CG-CB 4.28Å; L131-F201 HydrophobicContact CG-CD1 4.35Å; L131-F201 HydrophobicContact CG-CG 4.27Å
132Q98.3Very high98Very high57 Ų5753.5 Ų53.527%0.26627%0.271SS..Hα-helixtrans-61.5-38.9176.3-173.270.171.500111.4Q128 Y129 R134 Y135 P136 I138 F140Q128-Q132 WeakPolarHBondContact O-CB 3.43Å; Q128-Q132 PolarHBondContact O-N 3.26Å; Y129-Q132 PolarHBondContact O-N 3.32Å; Q132-R134 VanDerWaalsContact C-N 3.34Å; Q132-Y135 CarbonylContact O-C 3.49Å; Q132-P136 PolarHBondContact NE2-O 3.19Å; Q132-P136 WeakPolarHBondContact O-CA 2.87Å; Q132-I138 PolarHBondContact NE2-O 3.26Å; Q132-I138 PolarHBondContact OE1-O 3.47Å; Q132-F140 HydrophobicContact CB-CD2 4.29Å
133Q97.9Very high98.1Very high125 Ų12548.7 Ų48.758%0.58425%0.249SC*.Hα-helixtrans-66-38.1175-62.7-52.8-52.600112Y129 L131Y129-Q133 HydrophobicContact CE1-CG 4.29Å; Y129-Q133 WeakPolarHBondContact O-CG 3.17Å; Y129-Q133 PolarHBondContact O-N 3.39Å; L131-Q133 VanDerWaalsContact C-N 3.3Å; L131-Q133 PolarHBondContact O-N 2.85Å
134R97.5Very high98Very high127 Ų12750.2 Ų50.248%0.47926%0.255SS..Hα-helixtrans-76.8-31.8-178.8-171.9170.8178.6-153.5-11.7113D101 A130 L131 Q132D101-R134 IonicContact OD1-CZ 3.68Å; D101-R134 IonicContact OD1-NH1 2.87Å; D101-R134 PolarHBondContact OD1-NH1 3.41Å; D101-R134 IonicContact OD1-NH2 2.86Å; D101-R134 PolarHBondContact OD1-NH2 2.86Å; D101-R134 VanDerWaalsContact OD1-NH2 3.15Å; D101-R134 IonicContact OD2-CZ 2.66Å; D101-R134 IonicContact OD2-NH1 3.3Å; D101-R134 IonicContact OD2-NH2 3.18Å; D101-R134 PolarHBondContact OD2-NH2 3.2Å; A130-R134 PolarHBondContact O-N 3.06Å; L131-R134 PolarHBondContact O-N 2.65Å; L131-R134 VanDerWaalsContact O-N 3.14Å; Q132-R134 VanDerWaalsContact C-N 3.34Å
135Y98.4Very high97.8Very high12 Ų1250.5 Ų50.55%0.04726%0.257CS..  trans-131.969.6-174.2-59.6-65.6000110.9D101 L104 K105 H108 L131 Q132 N137 I138D101-Y135 VanDerWaalsContact CG-OH 3.31Å; D101-Y135 PolarHBondContact OD1-OH 3.3Å; L104-Y135 HydrophobicContact CB-CD2 3.96Å; L104-Y135 HydrophobicContact CB-CE2 3.67Å; L104-Y135 HydrophobicContact CD1-CD2 4.35Å; L104-Y135 HydrophobicContact CD1-CE2 3.96Å; L104-Y135 HydrophobicContact CG-CE2 4.42Å; K105-Y135 HydrophobicContact CG-CE1 3.97Å; H108-Y135 HydrophobicContact CB-CD1 3.84Å; H108-Y135 HydrophobicContact CB-CG 4.37Å; H108-Y135 AromaticContact CG-CD1 3.98Å; L131-Y135 HydrophobicContact CD2-CD2 4.28Å; L131-Y135 HydrophobicContact CD2-CE2 4.23Å; L131-Y135 PolarHBondContact O-N 3.08Å; Q132-Y135 CarbonylContact O-C 3.49Å; Y135-N137 PolarHBondContact O-N 2.74Å; Y135-N137 VanDerWaalsContact O-N 3.11Å; Y135-I138 VanDerWaalsContact CB-CD1 3.46Å; Y135-I138 HydrophobicContact CD2-CD1 4.44Å; Y135-I138 HydrophobicContact CG-CD1 4.02Å; Y135-I138 PolarHBondContact O-N 2.98Å; Y135-I138 VanDerWaalsContact O-N 3.08Å
136P98.3Very high97.5Very high80 Ų8054.4 Ų54.452%0.51927%0.269SS..THydrogen-bonded Turntrans-63.5-23.9-168.222.3-33.8000115.1Q132 I138Q132-P136 PolarHBondContact NE2-O 3.19Å; Q132-P136 WeakPolarHBondContact O-CA 2.87Å; P136-I138 VanDerWaalsContact C-N 3.29Å; P136-I138 PolarHBondContact O-N 2.96Å
137N98.7Very high97Very high69 Ų6953.2 Ų53.237%0.36926%0.258SS..THydrogen-bonded Turntrans-81-6.1179.5-62-13.1000114H108 H111 Y135H108-N137 VanDerWaalsContact CE1-CG 3.47Å; H108-N137 PolarHBondContact CE1-ND2 3.06Å; H108-N137 WeakPolarHBondContact ND1-CB 3.39Å; H108-N137 PolarHBondContact ND1-N 3.36Å; H108-N137 VanDerWaalsContact O-CB 3.25Å; H108-N137 WeakPolarHBondContact O-CB 3.26Å; H111-N137 WeakPolarHBondContact CA-O 3.44Å; Y135-N137 PolarHBondContact O-N 2.74Å; Y135-N137 VanDerWaalsContact O-N 3.11Å
138I98.8Very high96.4Very high3 Ų358.2 Ų58.22%0.01528%0.284CS..SBendtrans-83.5135.6175-60.1177.9000108.7L104 A107 H108 Q112 V114 Q132 Y135 P136 F140L104-I138 HydrophobicContact CB-CD1 4.35Å; L104-I138 HydrophobicContact CD2-CD1 3.94Å; L104-I138 WeakPolarHBondContact O-CD1 3.48Å; A107-I138 HydrophobicContact CB-CD1 3.77Å; A107-I138 HydrophobicContact CB-CG1 4.01Å; H108-I138 HydrophobicContact CB-CD1 4.14Å; H108-I138 HydrophobicContact CB-CG1 3.98Å; Q112-I138 WeakPolarHBondContact O-CG2 3.45Å; V114-I138 HydrophobicContact CB-CG2 3.79Å; V114-I138 HydrophobicContact CG2-CD1 4.4Å; V114-I138 HydrophobicContact CG2-CG2 3.49Å; V114-I138 VanDerWaalsContact CG2-CG2 3.49Å; Q132-I138 PolarHBondContact NE2-O 3.26Å; Q132-I138 PolarHBondContact OE1-O 3.47Å; Y135-I138 VanDerWaalsContact CB-CD1 3.46Å; Y135-I138 HydrophobicContact CD2-CD1 4.44Å; Y135-I138 HydrophobicContact CG-CD1 4.02Å; Y135-I138 PolarHBondContact O-N 2.98Å; Y135-I138 VanDerWaalsContact O-N 3.08Å; P136-I138 VanDerWaalsContact C-N 3.29Å; P136-I138 PolarHBondContact O-N 2.96Å; I138-F140 HydrophobicContact CB-CD2 3.87Å; I138-F140 HydrophobicContact CB-CE2 3.42Å; I138-F140 VanDerWaalsContact CB-CE2 3.42Å; I138-F140 HydrophobicContact CB-CZ 3.86Å; I138-F140 HydrophobicContact CD1-CE2 4.05Å; I138-F140 HydrophobicContact CD1-CZ 3.69Å; I138-F140 HydrophobicContact CG1-CE2 4.28Å; I138-F140 HydrophobicContact CG1-CZ 4.38Å; I138-F140 HydrophobicContact CG2-CD1 4.05Å; I138-F140 HydrophobicContact CG2-CD2 3.57Å; I138-F140 HydrophobicContact CG2-CE1 3.85Å; I138-F140 HydrophobicContact CG2-CE2 3.39Å; I138-F140 HydrophobicContact CG2-CG 3.93Å; I138-F140 HydrophobicContact CG2-CZ 3.53Å
139S98.8Very high95.5Very high60 Ų6058.1 Ų58.142%0.4229%0.285SS..EExtended strand (participates in β ladder)trans-85.9116.7164.2-66.80000108.7Q112 K113 V114 F161Q112-S139 PolarHBondContact O-N 2.88Å; K113-S139 CarbonylContact C-O 3.4Å; K113-S139 VanDerWaalsContact CA-O 3.32Å; K113-S139 WeakPolarHBondContact CA-O 3.49Å; V114-S139 PolarHBondContact N-O 3.25Å; S139-F161 WeakPolarHBondContact O-CZ 3.48Å
140F98.7Very high94.6Very high21 Ų2158.4 Ų58.49%0.09229%0.292CS..EExtended strand (participates in β ladder)trans-104.3148.3179-72.8-85.7000113L104 V114 L116 Q128 L131 Q132 I138L104-F140 HydrophobicContact CD2-CE1 3.91Å; L104-F140 HydrophobicContact CD2-CZ 3.97Å; V114-F140 HydrophobicContact CB-CD1 3.72Å; V114-F140 HydrophobicContact CB-CE1 3.71Å; V114-F140 HydrophobicContact CG1-CD1 3.87Å; V114-F140 HydrophobicContact CG1-CE1 3.68Å; V114-F140 HydrophobicContact CG2-CE1 4.34Å; V114-F140 WeakPolarHBondContact O-CA 3.34Å; L116-F140 HydrophobicContact CD1-CD1 4.29Å; L116-F140 HydrophobicContact CG-CD1 4.37Å; Q128-F140 HydrophobicContact CG-CB 3.68Å; Q128-F140 HydrophobicContact CG-CG 4.29Å; L131-F140 HydrophobicContact CB-CE1 4.08Å; L131-F140 HydrophobicContact CB-CE2 4.21Å; L131-F140 HydrophobicContact CB-CZ 3.7Å; L131-F140 HydrophobicContact CD1-CE1 4.28Å; Q132-F140 HydrophobicContact CB-CD2 4.29Å; I138-F140 HydrophobicContact CB-CD2 3.87Å; I138-F140 HydrophobicContact CB-CE2 3.42Å; I138-F140 VanDerWaalsContact CB-CE2 3.42Å; I138-F140 HydrophobicContact CB-CZ 3.86Å; I138-F140 HydrophobicContact CD1-CE2 4.05Å; I138-F140 HydrophobicContact CD1-CZ 3.69Å; I138-F140 HydrophobicContact CG1-CE2 4.28Å; I138-F140 HydrophobicContact CG1-CZ 4.38Å; I138-F140 HydrophobicContact CG2-CD1 4.05Å; I138-F140 HydrophobicContact CG2-CD2 3.57Å; I138-F140 HydrophobicContact CG2-CE1 3.85Å; I138-F140 HydrophobicContact CG2-CE2 3.39Å; I138-F140 HydrophobicContact CG2-CG 3.93Å; I138-F140 HydrophobicContact CG2-CZ 3.53Å
141A98.4Very high93.8Very high15 Ų1559.4 Ų59.412%0.12429%0.292CS..EExtended strand (participates in β ladder)trans-139.7162160.600000109.6V114 F115 L116 Q128 F161V114-A141 PolarHBondContact O-N 3.22Å; F115-A141 CarbonylContact C-O 3.54Å; F115-A141 WeakPolarHBondContact CA-O 3.44Å; F115-A141 HydrophobicContact CD2-CB 3.73Å; F115-A141 HydrophobicContact CE2-CB 3.85Å; L116-A141 PolarHBondContact N-O 2.91Å; Q128-A141 VanDerWaalsContact OE1-C 3.26Å; A141-F161 HydrophobicContact CB-CD1 4.07Å; A141-F161 HydrophobicContact CB-CD2 3.68Å; A141-F161 HydrophobicContact CB-CE1 3.95Å; A141-F161 HydrophobicContact CB-CE2 3.57Å; A141-F161 HydrophobicContact CB-CG 3.92Å; A141-F161 HydrophobicContact CB-CZ 3.7Å
142H98Very high93.3Very high24 Ų2464.1 Ų64.111%0.11131%0.314CS..EExtended strand (participates in β ladder)trans-144.9165.3179.765.9-91.8000114L116 V124 E125 Q128 R157L116-H142 HydrophobicContact CB-CB 4.09Å; L116-H142 CarbonylContact O-C 3.58Å; L116-H142 WeakPolarHBondContact O-CA 3.39Å; L116-H142 WeakPolarHBondContact O-CB 3.46Å; V124-H142 HydrophobicContact CG1-CB 4.27Å; V124-H142 HydrophobicContact CG2-CB 3.74Å; E125-H142 WeakPolarHBondContact CG-NE2 3.36Å; E125-H142 IonicContact OE1-NE2 2.88Å; Q128-H142 PolarHBondContact OE1-ND1 3.46Å; H142-R157 PolarHBondContact O-NH1 3.23Å; H142-R157 PolarHBondContact O-NH2 2.99Å; H142-R157 VanDerWaalsContact O-NH2 3.11Å
143H97.1Very high92.9Very high31 Ų3165.6 Ų65.614%0.14433%0.327CS..EExtended strand (participates in β ladder)trans-150.1147.3163.4-161-73.9000110F115 L116 L117 G118 V154 R157F115-H143 HydrophobicContact CE1-CB 3.92Å; F115-H143 HydrophobicContact CZ-CB 3.85Å; L116-H143 PolarHBondContact O-N 2.91Å; L117-H143 WeakPolarHBondContact CA-O 3.25Å; L117-H143 HydrophobicContact CD1-CB 3.91Å; G118-H143 PolarHBondContact N-O 3.06Å; H143-V154 HydrophobicContact CB-CG1 4.18Å; H143-R157 PolarHBondContact CD2-NH1 3.49Å
144H95.8Very high92.7Very high56 Ų5659.8 Ų59.826%0.25930%0.3SS..  trans-64.7157.2173.567.973.7000111.8G118 N121 Y146 I147G118-H144 WeakPolarHBondContact O-CA 3.37Å; N121-H144 HydrophobicContact CB-CB 4.25Å; H144-Y146 PolarHBondContact CE1-O 2.9Å; H144-Y146 VanDerWaalsContact CE1-O 3.25Å; H144-Y146 PolarHBondContact ND1-N 2.85Å; H144-Y146 PolarHBondContact ND1-O 2.89Å; H144-I147 WeakPolarHBondContact O-CG2 3.26Å
145G92.9Very high92.6Very high6 Ų653.7 Ų53.76%0.06228%0.277CS..SBendtrans-91.3-7.2-176.900000115.7G118 A119 I147 K174G118-G145 VanDerWaalsContact C-N 3.26Å; G118-G145 PolarHBondContact O-N 3.08Å; A119-G145 PolarHBondContact O-N 3.28Å; G145-I147 PolarHBondContact O-N 3.5Å; G145-K174 PolarHBondContact O-NZ 2.98Å
146Y91Very high92.5Very high171 Ų17158.9 Ų58.967%0.67130%0.3SS*.  trans-79.462.4175.5-61.9-84.2000111.2A119 T120 H144A119-Y146 VanDerWaalsContact O-CD2 3.29Å; A119-Y146 WeakPolarHBondContact O-CD2 3.3Å; A119-Y146 WeakPolarHBondContact O-CE2 3.46Å; T120-Y146 HydrophobicContact CG2-CD2 4.37Å; T120-Y146 HydrophobicContact CG2-CE2 3.5Å; H144-Y146 PolarHBondContact CE1-O 2.9Å; H144-Y146 VanDerWaalsContact CE1-O 3.25Å; H144-Y146 PolarHBondContact ND1-N 2.85Å; H144-Y146 PolarHBondContact ND1-O 2.89Å
147I88.3Confident92.3Very high15 Ų1560.8 Ų60.88%0.07730%0.297CS..SBendtrans-115156.7-177.562.9166.7000110L117 H144 G145 V154 M170 K174L117-I147 HydrophobicContact CD1-CD1 4.17Å; L117-I147 HydrophobicContact CD2-CD1 4.41Å; H144-I147 WeakPolarHBondContact O-CG2 3.26Å; G145-I147 PolarHBondContact O-N 3.5Å; I147-V154 HydrophobicContact CB-CG2 4.36Å; I147-V154 HydrophobicContact CD1-CB 4.36Å; I147-V154 HydrophobicContact CD1-CG1 4.2Å; I147-V154 HydrophobicContact CD1-CG2 4.23Å; I147-V154 HydrophobicContact CG2-CG2 3.86Å; I147-M170 HydrophobicContact CD1-SD 4.47Å; I147-M170 HydrophobicContact CG1-SD 4.18Å; I147-K174 PolarHBondContact O-NZ 3.21Å
148D84.3Confident92.3Very high104 Ų10457.5 Ų57.556%0.55628%0.279SS*.  trans-69138.4159.2-162.7-30.5000108.4E150 D151D148-E150 PolarHBondContact O-N 3Å; D148-E150 PolarHBondContact OD1-N 3.05Å; D148-D151 HydrophobicContact CB-CB 3.94Å; D148-D151 PolarHBondContact O-N 3.19Å
149L80.9Confident92.2Very high41 Ų4161.7 Ų61.722%0.21530%0.297CS..THydrogen-bonded Turntrans-68.5-25.8177-68.4-179.2000111.4M170 K174 W178 H182L149-M170 HydrophobicContact CD2-CE 4.13Å; L149-K174 HydrophobicContact CD1-CG 4.16Å; L149-K174 HydrophobicContact CD2-CD 4.32Å; L149-K174 VanDerWaalsContact CD2-CE 3.47Å; L149-K174 HydrophobicContact CD2-CG 3.78Å; L149-K174 HydrophobicContact CG-CG 4.28Å; L149-W178 HydrophobicContact CD2-CB 3.71Å; L149-W178 HydrophobicContact CD2-CG 4.05Å; L149-H182 PolarHBondContact O-CE1 3.33Å; L149-H182 PolarHBondContact O-NE2 2.77Å
150E79Confident92.1Very high168 Ų16865.9 Ų65.979%0.78531%0.314SS*.THydrogen-bonded Turntrans-88.1-5.8179.2-60.5-174.9175.500112.8D148 E152D148-E150 PolarHBondContact O-N 3Å; D148-E150 PolarHBondContact OD1-N 3.05Å; E150-E152 PolarHBondContact O-N 2.97Å; E150-E152 VanDerWaalsContact O-N 3.08Å
151D80.5Confident92Very high62 Ų6266.9 Ų66.933%0.33232%0.318SS..  trans-74.4102-179.5-177.90.3000111.8D148 T153D148-D151 HydrophobicContact CB-CB 3.94Å; D148-D151 PolarHBondContact O-N 3.19Å; D151-T153 PolarHBondContact O-N 3.29Å; D151-T153 VanDerWaalsContact OD1-CB 3.25Å; D151-T153 WeakPolarHBondContact OD1-CB 3.45Å; D151-T153 VanDerWaalsContact OD1-CG2 3.25Å; D151-T153 WeakPolarHBondContact OD1-CG2 3.2Å; D151-T153 PolarHBondContact OD1-N 3.33Å; D151-T153 PolarHBondContact OD1-OG1 2.91Å; D151-T153 PolarHBondContact OD2-OG1 2.87Å; D151-T153 VanDerWaalsContact OD2-OG1 3.06Å
152E86.9Confident92Very high100 Ų10073.6 Ų73.647%0.46735%0.345SS..Hα-helixtrans-66.2-13.9178.3-64.5-166.6159.700114.6E150 V154 V155 K156E150-E152 PolarHBondContact O-N 2.97Å; E150-E152 VanDerWaalsContact O-N 3.08Å; E152-V154 VanDerWaalsContact C-N 3.3Å; E152-V154 PolarHBondContact O-N 3.09Å; E152-V155 PolarHBondContact O-N 3.07Å; E152-K156 HydrophobicContact CB-CD 4.43Å; E152-K156 WeakPolarHBondContact O-CB 3.43Å; E152-K156 VanDerWaalsContact O-CG 3.28Å; E152-K156 WeakPolarHBondContact O-CG 3.28Å; E152-K156 PolarHBondContact O-N 3.34Å; E152-K156 VanDerWaalsContact OE2-CE 3.24Å; E152-K156 WeakPolarHBondContact OE2-CE 3.25Å; E152-K156 IonicContact OE2-NZ 2.69Å; E152-K156 PolarHBondContact OE2-NZ 2.77Å
153T91.3Very high92Very high88 Ų8872.8 Ų72.854%0.5434%0.342SS..Hα-helixtrans-62.4-40.9-176.461.30000111.5D151 K156 R157D151-T153 PolarHBondContact O-N 3.29Å; D151-T153 VanDerWaalsContact OD1-CB 3.25Å; D151-T153 WeakPolarHBondContact OD1-CB 3.45Å; D151-T153 VanDerWaalsContact OD1-CG2 3.25Å; D151-T153 WeakPolarHBondContact OD1-CG2 3.2Å; D151-T153 PolarHBondContact OD1-N 3.33Å; D151-T153 PolarHBondContact OD1-OG1 2.91Å; D151-T153 PolarHBondContact OD2-OG1 2.87Å; D151-T153 VanDerWaalsContact OD2-OG1 3.06Å; T153-K156 PolarHBondContact O-N 3.33Å; T153-R157 PolarHBondContact O-N 3.12Å; T153-R157 VanDerWaalsContact O-N 3.08Å
154V93.2Very high92.1Very high2 Ų273.4 Ų73.41%0.01235%0.346CS..Hα-helixtrans-65.7-45.4177.1-177.20000110.1L117 H143 I147 E152 K156 R157 I158L117-V154 HydrophobicContact CD1-CG1 3.91Å; H143-V154 HydrophobicContact CB-CG1 4.18Å; I147-V154 HydrophobicContact CB-CG2 4.36Å; I147-V154 HydrophobicContact CD1-CB 4.36Å; I147-V154 HydrophobicContact CD1-CG1 4.2Å; I147-V154 HydrophobicContact CD1-CG2 4.23Å; I147-V154 HydrophobicContact CG2-CG2 3.86Å; E152-V154 VanDerWaalsContact C-N 3.3Å; E152-V154 PolarHBondContact O-N 3.09Å; V154-K156 VanDerWaalsContact C-N 3.34Å; V154-K156 PolarHBondContact O-N 3.22Å; V154-R157 WeakPolarHBondContact O-CB 3.15Å; V154-R157 PolarHBondContact O-N 3.36Å; V154-R157 VanDerWaalsContact O-N 3.17Å; V154-I158 HydrophobicContact CG1-CD1 3.99Å; V154-I158 VanDerWaalsContact O-CG1 3.28Å; V154-I158 WeakPolarHBondContact O-CG1 3.36Å; V154-I158 PolarHBondContact O-N 3.47Å
155V95.2Very high92.2Very high0 Ų070.8 Ų70.80%033%0.334CS..Hα-helixtrans-61.8-43.7179.5-176.70000110.7E152 R157 I158 K159 W178 H182 Q185 F186E152-V155 PolarHBondContact O-N 3.07Å; V155-R157 VanDerWaalsContact C-N 3.33Å; V155-R157 PolarHBondContact O-N 2.95Å; V155-I158 PolarHBondContact O-N 3Å; V155-K159 HydrophobicContact CG1-CD 4.04Å; V155-K159 HydrophobicContact CG1-CG 4.4Å; V155-K159 VanDerWaalsContact O-CG 3.3Å; V155-K159 WeakPolarHBondContact O-CG 3.25Å; V155-K159 PolarHBondContact O-N 3.38Å; V155-W178 HydrophobicContact CG2-CZ2 4.2Å; V155-H182 WeakPolarHBondContact CG2-CD2 3.44Å; V155-Q185 VanDerWaalsContact CG1-OE1 3.29Å; V155-F186 HydrophobicContact CG1-CZ 4.11Å
156K95.7Very high92.5Very high121 Ų12170.5 Ų70.553%0.52633%0.331SS..Hα-helixtrans-58.9-42.5175-75166.8-176157.10111.8E152 T153 V154 K159 L160E152-K156 HydrophobicContact CB-CD 4.43Å; E152-K156 WeakPolarHBondContact O-CB 3.43Å; E152-K156 VanDerWaalsContact O-CG 3.28Å; E152-K156 WeakPolarHBondContact O-CG 3.28Å; E152-K156 PolarHBondContact O-N 3.34Å; E152-K156 VanDerWaalsContact OE2-CE 3.24Å; E152-K156 WeakPolarHBondContact OE2-CE 3.25Å; E152-K156 IonicContact OE2-NZ 2.69Å; E152-K156 PolarHBondContact OE2-NZ 2.77Å; T153-K156 PolarHBondContact O-N 3.33Å; V154-K156 VanDerWaalsContact C-N 3.34Å; V154-K156 PolarHBondContact O-N 3.22Å; K156-K159 PolarHBondContact O-N 2.76Å; K156-L160 PolarHBondContact O-N 3.02Å
157R95.5Very high92.9Very high120 Ų12062.3 Ų62.345%0.45330%0.299SS..Hα-helixtrans-62.1-43.9175-177.1179.1176.9-173.9-5.6111.8H142 H143 T153 V154 V155 L160 F161H142-R157 PolarHBondContact O-NH1 3.23Å; H142-R157 PolarHBondContact O-NH2 2.99Å; H142-R157 VanDerWaalsContact O-NH2 3.11Å; H143-R157 PolarHBondContact CD2-NH1 3.49Å; T153-R157 PolarHBondContact O-N 3.12Å; T153-R157 VanDerWaalsContact O-N 3.08Å; V154-R157 WeakPolarHBondContact O-CB 3.15Å; V154-R157 PolarHBondContact O-N 3.36Å; V154-R157 VanDerWaalsContact O-N 3.17Å; V155-R157 VanDerWaalsContact C-N 3.33Å; V155-R157 PolarHBondContact O-N 2.95Å; R157-L160 PolarHBondContact O-N 3.25Å; R157-F161 PolarHBondContact O-N 2.83Å
158I97Very high93.3Very high0 Ų061.6 Ų61.60%030%0.295CS..Hα-helixtrans-64.3-45.1177.9-60.4167.5000110.1F115 L117 V154 V155 L160 F161 K162 P163 I166 W178 F186F115-I158 HydrophobicContact CB-CG2 4.47Å; F115-I158 HydrophobicContact CD1-CD1 4.05Å; F115-I158 HydrophobicContact CD1-CG1 3.78Å; F115-I158 HydrophobicContact CD2-CB 4.38Å; F115-I158 HydrophobicContact CD2-CG1 3.92Å; F115-I158 HydrophobicContact CD2-CG2 4.26Å; F115-I158 HydrophobicContact CE1-CD1 3.81Å; F115-I158 HydrophobicContact CE1-CG1 3.49Å; F115-I158 VanDerWaalsContact CE1-CG1 3.49Å; F115-I158 HydrophobicContact CE2-CB 4.36Å; F115-I158 HydrophobicContact CE2-CG1 3.64Å; F115-I158 HydrophobicContact CG-CG1 3.99Å; F115-I158 HydrophobicContact CG-CG2 4.17Å; F115-I158 HydrophobicContact CZ-CD1 4.2Å; F115-I158 HydrophobicContact CZ-CG1 3.41Å; F115-I158 VanDerWaalsContact CZ-CG1 3.41Å; L117-I158 HydrophobicContact CD2-CD1 4.34Å; V154-I158 HydrophobicContact CG1-CD1 3.99Å; V154-I158 VanDerWaalsContact O-CG1 3.28Å; V154-I158 WeakPolarHBondContact O-CG1 3.36Å; V154-I158 PolarHBondContact O-N 3.47Å; V155-I158 PolarHBondContact O-N 3Å; I158-L160 VanDerWaalsContact C-N 3.34Å; I158-L160 PolarHBondContact O-N 3.24Å; I158-F161 WeakPolarHBondContact O-CB 3.4Å; I158-F161 PolarHBondContact O-N 3.07Å; I158-F161 VanDerWaalsContact O-N 3.12Å; I158-K162 PolarHBondContact O-N 2.91Å; I158-P163 HydrophobicContact CG2-CG 3.71Å; I158-P163 WeakPolarHBondContact O-CD 3.34Å; I158-I166 HydrophobicContact CG2-CD1 3.71Å; I158-I166 HydrophobicContact CG2-CG1 4.15Å; I158-W178 HydrophobicContact CD1-CH2 3.57Å; I158-W178 HydrophobicContact CD1-CZ2 3.62Å; I158-F186 HydrophobicContact CB-CE1 3.94Å; I158-F186 HydrophobicContact CB-CZ 4.02Å; I158-F186 HydrophobicContact CG2-CD1 4.39Å; I158-F186 HydrophobicContact CG2-CE1 3.4Å; I158-F186 VanDerWaalsContact CG2-CE1 3.4Å; I158-F186 HydrophobicContact CG2-CZ 3.67Å
159K96.8Very high93.9Very high91 Ų9156.9 Ų56.940%0.39627%0.271SS..Hα-helixtrans-60.4-41.8178.2-71.417476.5169.40112.5V155 K156 F161 K162 Q185 F186V155-K159 HydrophobicContact CG1-CD 4.04Å; V155-K159 HydrophobicContact CG1-CG 4.4Å; V155-K159 VanDerWaalsContact O-CG 3.3Å; V155-K159 WeakPolarHBondContact O-CG 3.25Å; V155-K159 PolarHBondContact O-N 3.38Å; K156-K159 PolarHBondContact O-N 2.76Å; K159-F161 VanDerWaalsContact C-N 3.26Å; K159-F161 PolarHBondContact O-N 3.45Å; K159-K162 VanDerWaalsContact O-CG 3.32Å; K159-K162 WeakPolarHBondContact O-CG 3.37Å; K159-K162 PolarHBondContact O-N 2.91Å; K159-Q185 HydrophobicContact CD-CB 4.08Å; K159-Q185 WeakPolarHBondContact CE-O 3.48Å; K159-F186 HydrophobicContact CB-CE1 4.46Å; K159-F186 HydrophobicContact CG-CD1 4.13Å; K159-F186 HydrophobicContact CG-CE1 3.56Å; K159-F186 HydrophobicContact CG-CZ 4.12Å
160L97.1Very high94.5Very high147 Ų14756.6 Ų56.677%0.7727%0.269SS*.Hα-helixtrans-62.3-36.6176.7-176.863.3000111.9K156 R157 I158 K162K156-L160 PolarHBondContact O-N 3.02Å; R157-L160 PolarHBondContact O-N 3.25Å; I158-L160 VanDerWaalsContact C-N 3.34Å; I158-L160 PolarHBondContact O-N 3.24Å; L160-K162 VanDerWaalsContact C-N 3.32Å; L160-K162 PolarHBondContact O-N 2.63Å
161F98Very high95.1Very high42 Ų4249.8 Ų49.818%0.18424%0.244CC..Hα-helixtrans-68.1-31.4178.1-177.7-112.3000112.9K113 F115 S139 A141 R157 I158 K159 P163K113-F161 HydrophobicContact CB-CD1 4.5Å; K113-F161 HydrophobicContact CB-CE1 3.74Å; K113-F161 HydrophobicContact CB-CZ 3.94Å; K113-F161 WeakPolarHBondContact CD-O 3.47Å; K113-F161 HydrophobicContact CG-CE1 4.49Å; K113-F161 HydrophobicContact CG-CZ 4.29Å; K113-F161 PolarHBondContact NZ-O 3.37Å; F115-F161 HydrophobicContact CB-CD1 4.33Å; F115-F161 HydrophobicContact CB-CE1 4.42Å; F115-F161 HydrophobicContact CD2-CB 4.48Å; F115-F161 AromaticContact CD2-CD1 3.89Å; F115-F161 HydrophobicContact CD2-CD1 3.89Å; F115-F161 HydrophobicContact CD2-CE1 4.45Å; F115-F161 HydrophobicContact CD2-CG 4.34Å; S139-F161 WeakPolarHBondContact O-CZ 3.48Å; A141-F161 HydrophobicContact CB-CD1 4.07Å; A141-F161 HydrophobicContact CB-CD2 3.68Å; A141-F161 HydrophobicContact CB-CE1 3.95Å; A141-F161 HydrophobicContact CB-CE2 3.57Å; A141-F161 HydrophobicContact CB-CG 3.92Å; A141-F161 HydrophobicContact CB-CZ 3.7Å; R157-F161 PolarHBondContact O-N 2.83Å; I158-F161 WeakPolarHBondContact O-CB 3.4Å; I158-F161 PolarHBondContact O-N 3.07Å; I158-F161 VanDerWaalsContact O-N 3.12Å; K159-F161 VanDerWaalsContact C-N 3.26Å; K159-F161 PolarHBondContact O-N 3.45Å; F161-P163 HydrophobicContact CD1-CB 3.96Å; F161-P163 HydrophobicContact CE1-CB 4.24Å
162K97.6Very high95.7Very high157 Ų15749 Ų4968%0.68324%0.237SC*.  trans5765.1-176-56.9-178.5178.1-174.80112K113 I158 K159 L160K113-K162 WeakPolarHBondContact CD-O 3.25Å; I158-K162 PolarHBondContact O-N 2.91Å; K159-K162 VanDerWaalsContact O-CG 3.32Å; K159-K162 WeakPolarHBondContact O-CG 3.37Å; K159-K162 PolarHBondContact O-N 2.91Å; L160-K162 VanDerWaalsContact C-N 3.32Å; L160-K162 PolarHBondContact O-N 2.63Å
163P98.3Very high96.1Very high7 Ų745.4 Ų45.45%0.04522%0.223CC..  trans-70.6147.8-178.429.8-35.6000112.4F115 I158 F161 Y165 I166 T189F115-P163 HydrophobicContact CB-CB 4.02Å; F115-P163 HydrophobicContact CB-CG 4.39Å; I158-P163 HydrophobicContact CG2-CG 3.71Å; I158-P163 WeakPolarHBondContact O-CD 3.34Å; F161-P163 HydrophobicContact CD1-CB 3.96Å; F161-P163 HydrophobicContact CE1-CB 4.24Å; P163-Y165 WeakPolarHBondContact CB-O 3.24Å; P163-I166 HydrophobicContact CB-CG1 4.03Å; P163-I166 HydrophobicContact CG-CD1 3.83Å; P163-I166 HydrophobicContact CG-CG1 3.55Å; P163-T189 HydrophobicContact CG-CG2 4.48Å; P163-T189 PolarHBondContact O-OG1 3.25Å
164D98.5Very high96.2Very high44 Ų4444.2 Ų44.224%0.23521%0.21CC..SBendtrans-82.9-30.2161.7-60.9-94.5000111F35 Q112 K113 V190F35-D164 HydrophobicContact CE1-CB 3.93Å; F35-D164 HydrophobicContact CZ-CB 4.09Å; Q112-D164 WeakPolarHBondContact CA-OD2 3.32Å; Q112-D164 HydrophobicContact CB-CB 3.89Å; Q112-D164 WeakPolarHBondContact CB-OD2 3.39Å; Q112-D164 HydrophobicContact CG-CB 4.23Å; Q112-D164 PolarHBondContact NE2-OD1 2.84Å; K113-D164 PolarHBondContact N-OD2 2.84Å; K113-D164 PolarHBondContact O-N 2.91Å; D164-V190 PolarHBondContact O-N 2.91Å
165Y98.8Very high96.4Very high0 Ų044.3 Ų44.30%021%0.211CC..EExtended strand (participates in β ladder)trans-129137.5177.2-58.6-99.6000111.8I31 F35 C103 I106 A107 Q112 K113 V114 F115 P163 F167 V190I31-Y165 HydrophobicContact CG2-CE1 4.31Å; F35-Y165 AromaticContact CE2-CE1 3.9Å; F35-Y165 HydrophobicContact CE2-CE1 3.9Å; F35-Y165 AromaticContact CE2-CE2 3.94Å; F35-Y165 HydrophobicContact CE2-CE2 3.94Å; F35-Y165 AromaticContact CE2-CZ 3.37Å; F35-Y165 WeakPolarHBondContact CE2-OH 3.48Å; F35-Y165 HydrophobicContact CZ-CD2 4.38Å; F35-Y165 HydrophobicContact CZ-CE1 4.09Å; F35-Y165 AromaticContact CZ-CE2 3.77Å; F35-Y165 HydrophobicContact CZ-CE2 3.77Å; F35-Y165 AromaticContact CZ-CZ 3.62Å; C103-Y165 HydrophobicContact CB-CD1 4.06Å; C103-Y165 HydrophobicContact CB-CE1 3.68Å; I106-Y165 WeakPolarHBondContact CG2-OH 3.43Å; A107-Y165 HydrophobicContact CB-CD2 4.05Å; A107-Y165 HydrophobicContact CB-CE2 3.6Å; Q112-Y165 HydrophobicContact CB-CE2 4.18Å; Q112-Y165 VanDerWaalsContact OE1-CE2 3.31Å; Q112-Y165 PolarHBondContact OE1-OH 3.46Å; K113-Y165 PolarHBondContact O-N 3.3Å; K113-Y165 VanDerWaalsContact O-N 3.1Å; V114-Y165 HydrophobicContact CG2-CD2 3.95Å; V114-Y165 HydrophobicContact CG2-CG 4.34Å; F115-Y165 PolarHBondContact N-O 2.95Å; P163-Y165 WeakPolarHBondContact CB-O 3.24Å; Y165-F167 HydrophobicContact CD1-CE1 4.47Å; Y165-F167 HydrophobicContact CD1-CE2 4.45Å; Y165-F167 AromaticContact CD1-CZ 3.83Å; Y165-F167 HydrophobicContact CD1-CZ 3.83Å; Y165-F167 HydrophobicContact CG-CE2 4.41Å; Y165-F167 HydrophobicContact CG-CZ 4.23Å; Y165-V190 CarbonylContact C-O 3.59Å; Y165-V190 VanDerWaalsContact CA-O 3.28Å; Y165-V190 WeakPolarHBondContact CA-O 3.39Å; Y165-V190 HydrophobicContact CD1-CB 3.56Å; Y165-V190 HydrophobicContact CD1-CG1 3.8Å; Y165-V190 HydrophobicContact CD1-CG2 4.13Å; Y165-V190 HydrophobicContact CE1-CB 3.9Å; Y165-V190 HydrophobicContact CE1-CG1 4.1Å; Y165-V190 HydrophobicContact CE1-CG2 3.95Å; Y165-V190 HydrophobicContact CG-CB 4.33Å
166I98.7Very high96.5Very high0 Ų044.3 Ų44.30%021%0.211CC..EExtended strand (participates in β ladder)trans-121.2111.6167.5-55.8170.2000108.5F115 I158 P163 V168 W178 F186 T189 V190 M191 M192F115-I166 HydrophobicContact CB-CG1 4.35Å; I158-I166 HydrophobicContact CG2-CD1 3.71Å; I158-I166 HydrophobicContact CG2-CG1 4.15Å; P163-I166 HydrophobicContact CB-CG1 4.03Å; P163-I166 HydrophobicContact CG-CD1 3.83Å; P163-I166 HydrophobicContact CG-CG1 3.55Å; I166-V168 HydrophobicContact CG2-CG2 3.91Å; I166-W178 HydrophobicContact CG2-CH2 4.31Å; I166-W178 HydrophobicContact CG2-CZ3 4.03Å; I166-F186 HydrophobicContact CD1-CD1 4.1Å; I166-F186 HydrophobicContact CD1-CD2 4.17Å; I166-F186 HydrophobicContact CD1-CE1 4.02Å; I166-F186 HydrophobicContact CD1-CE2 4.07Å; I166-F186 HydrophobicContact CD1-CG 4.18Å; I166-F186 HydrophobicContact CD1-CZ 3.99Å; I166-T189 HydrophobicContact CD1-CG2 3.8Å; I166-T189 HydrophobicContact CG1-CG2 3.77Å; I166-V190 PolarHBondContact N-O 3.34Å; I166-M191 HydrophobicContact CB-CG 4.36Å; I166-M191 HydrophobicContact CD1-CE 4.24Å; I166-M191 HydrophobicContact CD1-CG 4.4Å; I166-M191 WeakPolarHBondContact O-CA 3.5Å; I166-M192 PolarHBondContact O-N 3.12Å
167F98.8Very high96.5Very high0 Ų041.5 Ų41.50%020%0.2CC..EExtended strand (participates in β ladder)trans-100.2117.9174.5-65.3-56000110.6M100 C103 L104 V114 F115 L116 L117 Y165 M192 V194M100-F167 HydrophobicContact CE-CB 4.25Å; M100-F167 HydrophobicContact CE-CD2 3.8Å; M100-F167 HydrophobicContact CE-CE2 4.41Å; M100-F167 HydrophobicContact CE-CG 4.06Å; M100-F167 HydrophobicContact CG-CD1 4.13Å; M100-F167 HydrophobicContact CG-CD2 4.17Å; M100-F167 HydrophobicContact CG-CE1 4.08Å; M100-F167 HydrophobicContact CG-CE2 4.09Å; M100-F167 HydrophobicContact CG-CG 4.19Å; M100-F167 HydrophobicContact CG-CZ 4.06Å; M100-F167 HydrophobicContact SD-CG 4.32Å; C103-F167 HydrophobicContact CB-CE1 4.32Å; C103-F167 HydrophobicContact CB-CZ 3.64Å; L104-F167 HydrophobicContact CD2-CE2 3.99Å; L104-F167 HydrophobicContact CG-CE2 4.25Å; V114-F167 HydrophobicContact CG1-CD2 3.68Å; V114-F167 HydrophobicContact CG1-CE2 3.8Å; F115-F167 PolarHBondContact O-N 2.88Å; L116-F167 HydrophobicContact CD2-CB 4.19Å; L116-F167 HydrophobicContact CD2-CD2 4.04Å; L117-F167 PolarHBondContact N-O 2.8Å; Y165-F167 HydrophobicContact CD1-CE1 4.47Å; Y165-F167 HydrophobicContact CD1-CE2 4.45Å; Y165-F167 AromaticContact CD1-CZ 3.83Å; Y165-F167 HydrophobicContact CD1-CZ 3.83Å; Y165-F167 HydrophobicContact CG-CE2 4.41Å; Y165-F167 HydrophobicContact CG-CZ 4.23Å; F167-M192 WeakPolarHBondContact CA-O 3.15Å; F167-M192 HydrophobicContact CD1-CB 4.04Å; F167-M192 HydrophobicContact CD1-CE 3.85Å; F167-M192 HydrophobicContact CE1-CB 4.19Å; F167-M192 HydrophobicContact CE1-CE 3.58Å; F167-V194 HydrophobicContact CB-CG1 3.98Å; F167-V194 HydrophobicContact CB-CG2 4.11Å; F167-V194 HydrophobicContact CD1-CG1 3.69Å; F167-V194 HydrophobicContact CG-CG1 4.14Å
168V98.1Very high96.5Very high0 Ų035.9 Ų35.90%018%0.178CC..EExtended strand (participates in β ladder)trans-105.8104.5-173.3-169.40000111.2L117 I166 M170 Q175 W178 I179 M192 G193 V194L117-V168 HydrophobicContact CD2-CG1 4.28Å; L117-V168 HydrophobicContact CD2-CG2 4.46Å; L117-V168 HydrophobicContact CG-CG1 4.45Å; L117-V168 CarbonylContact O-C 3.44Å; L117-V168 WeakPolarHBondContact O-CA 3.09Å; I166-V168 HydrophobicContact CG2-CG2 3.91Å; V168-M170 HydrophobicContact CG1-CB 4.35Å; V168-M170 HydrophobicContact CG1-CE 3.53Å; V168-M170 HydrophobicContact CG1-CG 3.94Å; V168-Q175 HydrophobicContact CB-CB 4.13Å; V168-Q175 HydrophobicContact CG1-CB 3.65Å; V168-Q175 PolarHBondContact O-OE1 2.85Å; V168-W178 HydrophobicContact CG2-CE3 3.84Å; V168-W178 HydrophobicContact CG2-CZ3 3.96Å; V168-I179 HydrophobicContact CB-CD1 4.31Å; V168-I179 HydrophobicContact CG2-CD1 3.95Å; V168-I179 HydrophobicContact CG2-CG1 3.82Å; V168-M192 PolarHBondContact N-O 3.2Å; V168-G193 CarbonylContact O-C 3.57Å; V168-G193 WeakPolarHBondContact O-CA 3.17Å; V168-V194 PolarHBondContact O-N 3.21Å
169G96.2Very high96.5Very high5 Ų535.9 Ų35.95%0.05218%0.178CC..EExtended strand (participates in β ladder)trans-101.353.7179.300000113.4L117 G118 A119 G195L117-G169 PolarHBondContact O-N 3.15Å; G118-G169 WeakPolarHBondContact CA-O 3.22Å; A119-G169 PolarHBondContact N-O 2.87Å; A119-G169 VanDerWaalsContact N-O 3.08Å; G169-G195 VanDerWaalsContact CA-O 3.25Å; G169-G195 WeakPolarHBondContact CA-O 3.3Å
170M94.1Very high96.4Very high34 Ų3433 Ų3317%0.16717%0.167CC..SBendtrans-100-10177.7-64-163.8-74.300113.5L117 I147 L149 V168 K174 Q175 W178L117-M170 HydrophobicContact CD2-CE 4.38Å; I147-M170 HydrophobicContact CD1-SD 4.47Å; I147-M170 HydrophobicContact CG1-SD 4.18Å; L149-M170 HydrophobicContact CD2-CE 4.13Å; V168-M170 HydrophobicContact CG1-CB 4.35Å; V168-M170 HydrophobicContact CG1-CE 3.53Å; V168-M170 HydrophobicContact CG1-CG 3.94Å; M170-K174 HydrophobicContact CB-CB 4.47Å; M170-K174 HydrophobicContact CB-CD 4.38Å; M170-K174 HydrophobicContact CB-CG 4.39Å; M170-K174 HydrophobicContact CE-CG 4.23Å; M170-K174 HydrophobicContact SD-CD 4.15Å; M170-K174 HydrophobicContact SD-CG 4.34Å; M170-Q175 HydrophobicContact CB-CB 4.18Å; M170-W178 HydrophobicContact CE-CB 3.4Å; M170-W178 HydrophobicContact CE-CD2 4.3Å; M170-W178 HydrophobicContact CE-CG 3.56Å
171G91.8Very high96.2Very high25 Ų2530 Ų3026%0.25816%0.155SC..  trans81.5161-169.600000111.9K174 Q175G171-K174 PolarHBondContact O-N 3.43Å; G171-Q175 VanDerWaalsContact CA-OE1 3.27Å; G171-Q175 WeakPolarHBondContact O-CB 3.4Å; G171-Q175 WeakPolarHBondContact O-CG 3.41Å; G171-Q175 PolarHBondContact O-N 3.47Å
172F91.9Very high96Very high45 Ų4528.4 Ų28.420%0.19715%0.148CC..THydrogen-bonded Turntrans-85.1150.5175.779.5-88.9000110E51 I52 Y55 E176E51-F172 HydrophobicContact CB-CE1 4.15Å; E51-F172 HydrophobicContact CB-CZ 3.98Å; E51-F172 VanDerWaalsContact CD-CE1 3.44Å; E51-F172 HydrophobicContact CG-CE1 3.95Å; E51-F172 HydrophobicContact CG-CZ 3.49Å; E51-F172 VanDerWaalsContact CG-CZ 3.49Å; E51-F172 WeakPolarHBondContact OE1-CZ 3.36Å; I52-F172 HydrophobicContact CD1-CB 4.21Å; I52-F172 HydrophobicContact CD1-CD1 4.19Å; I52-F172 HydrophobicContact CD1-CG 4.22Å; I52-F172 HydrophobicContact CG1-CB 4.01Å; I52-F172 HydrophobicContact CG1-CD1 3.66Å; I52-F172 HydrophobicContact CG1-CD2 3.95Å; I52-F172 HydrophobicContact CG1-CE1 4.16Å; I52-F172 HydrophobicContact CG1-CE2 4.43Å; I52-F172 HydrophobicContact CG1-CG 3.57Å; Y55-F172 HydrophobicContact CD2-CE2 4.34Å; Y55-F172 HydrophobicContact CG-CD2 4.41Å; Y55-F172 HydrophobicContact CG-CE2 4.05Å; F172-E176 WeakPolarHBondContact CB-OE2 3.38Å
173P94.7Very high95.9Very high26 Ų2623.4 Ų23.417%0.16913%0.127CC..THydrogen-bonded Turncis-80.5-14.6-134.7-37.9000114.1Y55 Y62 Q175 E176 E177Y55-P173 HydrophobicContact CE1-CB 3.88Å; Y55-P173 HydrophobicContact CE1-CG 4.09Å; Y62-P173 HydrophobicContact CD2-CB 3.4Å; Y62-P173 VanDerWaalsContact CD2-CB 3.4Å; Y62-P173 HydrophobicContact CE2-CB 3.3Å; Y62-P173 HydrophobicContact CG-CB 4.26Å; P173-Q175 VanDerWaalsContact C-N 3.26Å; P173-Q175 PolarHBondContact O-N 2.92Å; P173-E176 PolarHBondContact O-N 2.86Å; P173-E176 VanDerWaalsContact O-N 3.09Å; P173-E177 HydrophobicContact CB-CG 4.43Å; P173-E177 WeakPolarHBondContact CB-OE1 3.25Å; P173-E177 PolarHBondContact O-N 2.79Å; P173-E177 VanDerWaalsContact O-N 3.1Å
174K94.3Very high95.7Very high62 Ų6229.4 Ų29.427%0.2716%0.159SC..Hα-helixtrans-52-37.7-169.2-169.8176.6-176.5-172.20114.5G145 I147 L149 M170 G171 W178G145-K174 PolarHBondContact O-NZ 2.98Å; I147-K174 PolarHBondContact O-NZ 3.21Å; L149-K174 HydrophobicContact CD1-CG 4.16Å; L149-K174 HydrophobicContact CD2-CD 4.32Å; L149-K174 VanDerWaalsContact CD2-CE 3.47Å; L149-K174 HydrophobicContact CD2-CG 3.78Å; L149-K174 HydrophobicContact CG-CG 4.28Å; M170-K174 HydrophobicContact CB-CB 4.47Å; M170-K174 HydrophobicContact CB-CD 4.38Å; M170-K174 HydrophobicContact CB-CG 4.39Å; M170-K174 HydrophobicContact CE-CG 4.23Å; M170-K174 HydrophobicContact SD-CD 4.15Å; M170-K174 HydrophobicContact SD-CG 4.34Å; G171-K174 PolarHBondContact O-N 3.43Å; K174-W178 WeakPolarHBondContact O-CB 3.28Å; K174-W178 PolarHBondContact O-N 3.29Å
175Q96.3Very high95.5Very high5 Ų530.2 Ų30.22%0.02316%0.161CC..Hα-helixtrans-70-39.7-177.971.7-172.131.800113V168 M170 G171 P173 I179 G193 G195V168-Q175 HydrophobicContact CB-CB 4.13Å; V168-Q175 HydrophobicContact CG1-CB 3.65Å; V168-Q175 PolarHBondContact O-OE1 2.85Å; M170-Q175 HydrophobicContact CB-CB 4.18Å; G171-Q175 VanDerWaalsContact CA-OE1 3.27Å; G171-Q175 WeakPolarHBondContact O-CB 3.4Å; G171-Q175 WeakPolarHBondContact O-CG 3.41Å; G171-Q175 PolarHBondContact O-N 3.47Å; P173-Q175 VanDerWaalsContact C-N 3.26Å; P173-Q175 PolarHBondContact O-N 2.92Å; Q175-I179 WeakPolarHBondContact O-CD1 3.37Å; Q175-I179 VanDerWaalsContact O-CG1 3.26Å; Q175-I179 WeakPolarHBondContact O-CG1 3.28Å; Q175-I179 PolarHBondContact O-N 3.18Å; Q175-G193 VanDerWaalsContact NE2-C 3.33Å; Q175-G195 VanDerWaalsContact OE1-CA 3.29Å; Q175-G195 VanDerWaalsContact OE1-N 3.08Å
176E97.5Very high95.4Very high0 Ų030.9 Ų30.90%016%0.164CC..Hα-helixtrans-74.7-38.4176.3-69.179.2-150.200110.8F44 V46 Y62 L65 I66 F172 P173 W178 I179 M180F44-E176 HydrophobicContact CE2-CG 4.37Å; F44-E176 HydrophobicContact CZ-CB 3.99Å; F44-E176 HydrophobicContact CZ-CG 3.87Å; V46-E176 HydrophobicContact CG2-CG 4.04Å; Y62-E176 HydrophobicContact CE2-CB 4.03Å; Y62-E176 HydrophobicContact CE2-CG 4.49Å; Y62-E176 PolarHBondContact OH-OE2 3.38Å; L65-E176 HydrophobicContact CD2-CB 3.66Å; I66-E176 HydrophobicContact CG2-CB 4.38Å; I66-E176 HydrophobicContact CG2-CG 4.15Å; F172-E176 WeakPolarHBondContact CB-OE2 3.38Å; P173-E176 PolarHBondContact O-N 2.86Å; P173-E176 VanDerWaalsContact O-N 3.09Å; E176-W178 PolarHBondContact O-N 3.11Å; E176-I179 PolarHBondContact O-N 3.44Å; E176-M180 PolarHBondContact O-N 2.85Å
177E96Very high95.3Very high62 Ų6237.5 Ų37.529%0.2920%0.195SC..Hα-helixtrans-55.8-50.4172.6-71.5169.9175.700111.1L65 P173 I179 M180 T181L65-E177 HydrophobicContact CD1-CB 4.47Å; L65-E177 HydrophobicContact CD1-CG 3.96Å; P173-E177 HydrophobicContact CB-CG 4.43Å; P173-E177 WeakPolarHBondContact CB-OE1 3.25Å; P173-E177 PolarHBondContact O-N 2.79Å; P173-E177 VanDerWaalsContact O-N 3.1Å; E177-I179 VanDerWaalsContact C-N 3.33Å; E177-I179 PolarHBondContact O-N 3.11Å; E177-M180 PolarHBondContact O-N 3.22Å; E177-T181 WeakPolarHBondContact O-CB 3.46Å; E177-T181 PolarHBondContact O-N 3.02Å; E177-T181 PolarHBondContact O-OG1 3.37Å
178W96Very high95.2Very high2 Ų239.7 Ų39.71%0.00821%0.21CC..Hα-helixtrans-59.4-42.5177.7-17487000112.8L117 L149 V155 I158 I166 V168 M170 K174 E176 H182 F186L117-W178 HydrophobicContact CD2-CD2 3.69Å; L117-W178 VanDerWaalsContact CD2-CE2 3.46Å; L117-W178 HydrophobicContact CD2-CE3 3.91Å; L117-W178 HydrophobicContact CD2-CG 4.43Å; L117-W178 HydrophobicContact CD2-CH2 3.76Å; L117-W178 HydrophobicContact CD2-CZ2 3.5Å; L117-W178 HydrophobicContact CD2-CZ3 3.95Å; L149-W178 HydrophobicContact CD2-CB 3.71Å; L149-W178 HydrophobicContact CD2-CG 4.05Å; V155-W178 HydrophobicContact CG2-CZ2 4.2Å; I158-W178 HydrophobicContact CD1-CH2 3.57Å; I158-W178 HydrophobicContact CD1-CZ2 3.62Å; I166-W178 HydrophobicContact CG2-CH2 4.31Å; I166-W178 HydrophobicContact CG2-CZ3 4.03Å; V168-W178 HydrophobicContact CG2-CE3 3.84Å; V168-W178 HydrophobicContact CG2-CZ3 3.96Å; M170-W178 HydrophobicContact CE-CB 3.4Å; M170-W178 HydrophobicContact CE-CD2 4.3Å; M170-W178 HydrophobicContact CE-CG 3.56Å; K174-W178 WeakPolarHBondContact O-CB 3.28Å; K174-W178 PolarHBondContact O-N 3.29Å; E176-W178 PolarHBondContact O-N 3.11Å; W178-H182 AromaticContact CD1-CE1 3.67Å; W178-H182 AromaticContact CD1-ND1 3.6Å; W178-H182 AromaticContact CD2-ND1 3.91Å; W178-H182 AromaticContact CE2-ND1 3.7Å; W178-H182 AromaticContact CG-ND1 3.86Å; W178-H182 HydrophobicContact CZ2-CB 4.49Å; W178-H182 AromaticContact NE1-CE1 3.63Å; W178-H182 AromaticContact NE1-ND1 3.51Å; W178-H182 PolarHBondContact O-N 2.74Å; W178-H182 PolarHBondContact O-ND1 3.05Å; W178-F186 HydrophobicContact CH2-CE2 4.42Å
179I96.7Very high95.2Very high0 Ų039.8 Ų39.80%021%0.211CC..Hα-helixtrans-61.9-52.9179.7-70.7166.1000109.7F44 V168 Q175 E176 E177 T181 H182 E183 M191F44-I179 HydrophobicContact CB-CG2 4.5Å; F44-I179 HydrophobicContact CD1-CG2 4.27Å; F44-I179 HydrophobicContact CD2-CB 4.38Å; F44-I179 HydrophobicContact CD2-CD1 4.08Å; F44-I179 HydrophobicContact CD2-CG2 3.55Å; F44-I179 HydrophobicContact CE1-CG2 4.43Å; F44-I179 HydrophobicContact CE2-CB 4.1Å; F44-I179 HydrophobicContact CE2-CD1 3.65Å; F44-I179 HydrophobicContact CE2-CG1 4.47Å; F44-I179 HydrophobicContact CE2-CG2 3.75Å; F44-I179 HydrophobicContact CG-CG2 3.86Å; F44-I179 HydrophobicContact CZ-CB 4.4Å; F44-I179 HydrophobicContact CZ-CG2 4.19Å; V168-I179 HydrophobicContact CB-CD1 4.31Å; V168-I179 HydrophobicContact CG2-CD1 3.95Å; V168-I179 HydrophobicContact CG2-CG1 3.82Å; Q175-I179 WeakPolarHBondContact O-CD1 3.37Å; Q175-I179 VanDerWaalsContact O-CG1 3.26Å; Q175-I179 WeakPolarHBondContact O-CG1 3.28Å; Q175-I179 PolarHBondContact O-N 3.18Å; E176-I179 PolarHBondContact O-N 3.44Å; E177-I179 VanDerWaalsContact C-N 3.33Å; E177-I179 PolarHBondContact O-N 3.11Å; I179-T181 VanDerWaalsContact C-N 3.3Å; I179-T181 PolarHBondContact O-N 2.87Å; I179-H182 PolarHBondContact O-N 3.15Å; I179-H182 VanDerWaalsContact O-N 3.12Å; I179-E183 WeakPolarHBondContact O-CA 3.33Å; I179-E183 VanDerWaalsContact O-CB 3.28Å; I179-E183 WeakPolarHBondContact O-CB 3.23Å; I179-E183 PolarHBondContact O-N 2.96Å; I179-M191 HydrophobicContact CD1-CB 4.29Å; I179-M191 HydrophobicContact CG1-CB 4.32Å; I179-M191 HydrophobicContact CG2-CB 3.81Å; I179-M191 HydrophobicContact CG2-CG 4.48Å; I179-M191 HydrophobicContact CG2-SD 3.86Å
180M94.1Very high95.3Very high30 Ų3039.6 Ų39.615%0.14821%0.208CC..Hα-helixtrans-66-32.1-177-73.2-63.8-52.100113.1F44 L65 Q68 E176 E177 H182 E183F44-M180 HydrophobicContact CD1-CG 4.15Å; F44-M180 HydrophobicContact CD1-SD 3.48Å; F44-M180 WeakPolarHBondContact CD1-SD 3.49Å; F44-M180 HydrophobicContact CE1-CG 3.61Å; F44-M180 HydrophobicContact CE1-SD 3.53Å; F44-M180 VanDerWaalsContact CE1-SD 3.53Å; F44-M180 HydrophobicContact CZ-CG 4.35Å; L65-M180 HydrophobicContact CD1-CB 4.11Å; L65-M180 HydrophobicContact CD1-CG 4.29Å; L65-M180 HydrophobicContact CD2-CB 4.16Å; L65-M180 HydrophobicContact CD2-CG 3.47Å; L65-M180 VanDerWaalsContact CD2-CG 3.47Å; L65-M180 HydrophobicContact CG-CB 3.97Å; L65-M180 HydrophobicContact CG-CG 3.64Å; Q68-M180 HydrophobicContact CB-CE 3.93Å; Q68-M180 HydrophobicContact CB-SD 4.43Å; E176-M180 PolarHBondContact O-N 2.85Å; E177-M180 PolarHBondContact O-N 3.22Å; M180-H182 VanDerWaalsContact C-N 3.31Å; M180-H182 PolarHBondContact O-N 2.71Å; M180-E183 VanDerWaalsContact CE-OE1 3.23Å; M180-E183 WeakPolarHBondContact CE-OE1 3.15Å
181T93.2Very high95.5Very high85 Ų8538 Ų3852%0.52120%0.2SC..Hα-helixtrans-66.5-32174.7-61.70000112.6E177 I179E177-T181 WeakPolarHBondContact O-CB 3.46Å; E177-T181 PolarHBondContact O-N 3.02Å; E177-T181 PolarHBondContact O-OG1 3.37Å; I179-T181 VanDerWaalsContact C-N 3.3Å; I179-T181 PolarHBondContact O-N 2.87Å
182H94.7Very high95.8Very high8 Ų836.8 Ų36.84%0.03719%0.188CC..Hα-helixtrans-116.2-6.3-170.3-58.595.7000114.9L149 V155 W178 I179 M180 N184 Q185 F186L149-H182 PolarHBondContact O-CE1 3.33Å; L149-H182 PolarHBondContact O-NE2 2.77Å; V155-H182 WeakPolarHBondContact CG2-CD2 3.44Å; W178-H182 AromaticContact CD1-CE1 3.67Å; W178-H182 AromaticContact CD1-ND1 3.6Å; W178-H182 AromaticContact CD2-ND1 3.91Å; W178-H182 AromaticContact CE2-ND1 3.7Å; W178-H182 AromaticContact CG-ND1 3.86Å; W178-H182 HydrophobicContact CZ2-CB 4.49Å; W178-H182 AromaticContact NE1-CE1 3.63Å; W178-H182 AromaticContact NE1-ND1 3.51Å; W178-H182 PolarHBondContact O-N 2.74Å; W178-H182 PolarHBondContact O-ND1 3.05Å; I179-H182 PolarHBondContact O-N 3.15Å; I179-H182 VanDerWaalsContact O-N 3.12Å; M180-H182 VanDerWaalsContact C-N 3.31Å; M180-H182 PolarHBondContact O-N 2.71Å; H182-N184 PolarHBondContact O-N 3.02Å; H182-Q185 WeakPolarHBondContact O-CB 3.11Å; H182-Q185 PolarHBondContact O-N 3.2Å; H182-F186 HydrophobicContact CB-CE2 4.17Å; H182-F186 VanDerWaalsContact O-CD2 3.25Å; H182-F186 WeakPolarHBondContact O-CD2 3.44Å; H182-F186 WeakPolarHBondContact O-CE2 3.2Å
183E95.1Very high96.1Very high52 Ų5234.6 Ų34.624%0.24318%0.179CC..G310 helixtrans-58.3-37.8-171.959.2169.7-178.200112.3N42 I179 M180 Q185 F186 M191N42-E183 PolarHBondContact ND2-O 3.31Å; I179-E183 WeakPolarHBondContact O-CA 3.33Å; I179-E183 VanDerWaalsContact O-CB 3.28Å; I179-E183 WeakPolarHBondContact O-CB 3.23Å; I179-E183 PolarHBondContact O-N 2.96Å; M180-E183 VanDerWaalsContact CE-OE1 3.23Å; M180-E183 WeakPolarHBondContact CE-OE1 3.15Å; E183-Q185 PolarHBondContact O-N 2.93Å; E183-F186 PolarHBondContact O-N 3.37Å; E183-M191 HydrophobicContact CB-CE 4.14Å; E183-M191 HydrophobicContact CB-SD 3.84Å
184N94.7Very high96.1Very high133 Ų13333.8 Ų33.871%0.71117%0.173SC*.G310 helixtrans-64.9-7.8179.667.5-2.4000114.2H182H182-N184 PolarHBondContact O-N 3.02Å
185Q94.9Very high95.9Very high60 Ų6031.6 Ų31.628%0.2817%0.168SC..G310 helixtrans-91.1-2.7176.3-52.5-16436.400113.5V155 K159 H182 E183V155-Q185 VanDerWaalsContact CG1-OE1 3.29Å; K159-Q185 HydrophobicContact CD-CB 4.08Å; K159-Q185 WeakPolarHBondContact CE-O 3.48Å; H182-Q185 WeakPolarHBondContact O-CB 3.11Å; H182-Q185 PolarHBondContact O-N 3.2Å; E183-Q185 PolarHBondContact O-N 2.93Å
186F96.4Very high95.6Very high14 Ų1432.2 Ų32.26%0.06118%0.176CC..  trans-123.9160.8179.3-52.4-80.8000110N42 V155 I158 K159 I166 W178 H182 E183 M191N42-F186 PolarHBondContact ND2-O 2.92Å; N42-F186 PolarHBondContact OD1-O 3Å; V155-F186 HydrophobicContact CG1-CZ 4.11Å; I158-F186 HydrophobicContact CB-CE1 3.94Å; I158-F186 HydrophobicContact CB-CZ 4.02Å; I158-F186 HydrophobicContact CG2-CD1 4.39Å; I158-F186 HydrophobicContact CG2-CE1 3.4Å; I158-F186 VanDerWaalsContact CG2-CE1 3.4Å; I158-F186 HydrophobicContact CG2-CZ 3.67Å; K159-F186 HydrophobicContact CB-CE1 4.46Å; K159-F186 HydrophobicContact CG-CD1 4.13Å; K159-F186 HydrophobicContact CG-CE1 3.56Å; K159-F186 HydrophobicContact CG-CZ 4.12Å; I166-F186 HydrophobicContact CD1-CD1 4.1Å; I166-F186 HydrophobicContact CD1-CD2 4.17Å; I166-F186 HydrophobicContact CD1-CE1 4.02Å; I166-F186 HydrophobicContact CD1-CE2 4.07Å; I166-F186 HydrophobicContact CD1-CG 4.18Å; I166-F186 HydrophobicContact CD1-CZ 3.99Å; W178-F186 HydrophobicContact CH2-CE2 4.42Å; H182-F186 HydrophobicContact CB-CE2 4.17Å; H182-F186 VanDerWaalsContact O-CD2 3.25Å; H182-F186 WeakPolarHBondContact O-CD2 3.44Å; H182-F186 WeakPolarHBondContact O-CE2 3.2Å; E183-F186 PolarHBondContact O-N 3.37Å; F186-M191 HydrophobicContact CB-CE 3.51Å; F186-M191 HydrophobicContact CD2-CE 3.46Å; F186-M191 VanDerWaalsContact CD2-CE 3.46Å; F186-M191 HydrophobicContact CD2-SD 4.5Å; F186-M191 HydrophobicContact CE2-CE 4.45Å; F186-M191 HydrophobicContact CG-CE 3.74Å
187E95.2Very high95.3Very high140 Ų14032.7 Ų32.765%0.65418%0.179SC*.SBendtrans-133.3147.7177.4-64.1178.117600108.8T40 N42 T189T40-E187 VanDerWaalsContact O-CA 3.31Å; T40-E187 WeakPolarHBondContact O-CA 3.33Å; N42-E187 VanDerWaalsContact OD1-C 3.27Å; N42-E187 WeakPolarHBondContact OD1-CA 3.47Å; E187-T189 PolarHBondContact O-N 2.97Å; E187-T189 PolarHBondContact O-OG1 2.98Å
188S96.5Very high95.2Very high45 Ų4529.8 Ų29.832%0.31517%0.166SC..SBendtrans53.230.2176.1-47.90000114.6S39 T40 N42S39-S188 WeakPolarHBondContact O-CB 3.38Å; S39-S188 PolarHBondContact O-OG 3.1Å; T40-S188 PolarHBondContact O-N 2.62Å; T40-S188 VanDerWaalsContact O-N 3.08Å; N42-S188 PolarHBondContact OD1-N 3.15Å
189T98.2Very high95Very high3 Ų331.5 Ų31.52%0.01817%0.174CC..  trans-109134.5-172.5-56.10000112.1N42 L43 P163 I166 E187 M191N42-T189 WeakPolarHBondContact CA-O 3.39Å; N42-T189 WeakPolarHBondContact CB-O 3.49Å; N42-T189 WeakPolarHBondContact OD1-CB 3.44Å; N42-T189 PolarHBondContact OD1-N 2.99Å; L43-T189 PolarHBondContact N-O 3.37Å; P163-T189 HydrophobicContact CG-CG2 4.48Å; P163-T189 PolarHBondContact O-OG1 3.25Å; I166-T189 HydrophobicContact CD1-CG2 3.8Å; I166-T189 HydrophobicContact CG1-CG2 3.77Å; E187-T189 PolarHBondContact O-N 2.97Å; E187-T189 PolarHBondContact O-OG1 2.98Å; T189-M191 HydrophobicContact CG2-CE 3.95Å; T189-M191 HydrophobicContact CG2-CG 3.99Å
190V98.5Very high94.7Very high0 Ų033 Ų330%018%0.183CC..EExtended strand (participates in β ladder)trans-84.1119.4168177.40000109.4I31 F34 F35 L43 I45 D164 Y165 I166I31-V190 HydrophobicContact CG2-CG2 4.35Å; F34-V190 HydrophobicContact CD1-CG2 3.77Å; F34-V190 HydrophobicContact CE1-CG2 3.67Å; F35-V190 HydrophobicContact CE1-CG2 4.48Å; F35-V190 HydrophobicContact CE2-CG2 3.66Å; F35-V190 HydrophobicContact CZ-CB 4.42Å; F35-V190 HydrophobicContact CZ-CG2 3.5Å; L43-V190 HydrophobicContact CB-CG2 4.14Å; L43-V190 HydrophobicContact CD2-CG2 4.15Å; L43-V190 CarbonylContact O-C 3.6Å; L43-V190 WeakPolarHBondContact O-CA 3.44Å; I45-V190 HydrophobicContact CD1-CG1 4.07Å; D164-V190 PolarHBondContact O-N 2.91Å; Y165-V190 CarbonylContact C-O 3.59Å; Y165-V190 VanDerWaalsContact CA-O 3.28Å; Y165-V190 WeakPolarHBondContact CA-O 3.39Å; Y165-V190 HydrophobicContact CD1-CB 3.56Å; Y165-V190 HydrophobicContact CD1-CG1 3.8Å; Y165-V190 HydrophobicContact CD1-CG2 4.13Å; Y165-V190 HydrophobicContact CE1-CB 3.9Å; Y165-V190 HydrophobicContact CE1-CG1 4.1Å; Y165-V190 HydrophobicContact CE1-CG2 3.95Å; Y165-V190 HydrophobicContact CG-CB 4.33Å; I166-V190 PolarHBondContact N-O 3.34Å
191M98.6Very high94.6Very high0 Ų033.1 Ų33.10%018%0.183CC..EExtended strand (participates in β ladder)trans-116.2127.8179.5-55.9-176.1-165.600109.8N42 L43 F44 I45 I166 I179 E183 F186 T189N42-M191 HydrophobicContact CB-CE 4.06Å; L43-M191 PolarHBondContact O-N 3.28Å; F44-M191 WeakPolarHBondContact CA-O 3.19Å; I45-M191 PolarHBondContact N-O 2.86Å; I166-M191 HydrophobicContact CB-CG 4.36Å; I166-M191 HydrophobicContact CD1-CE 4.24Å; I166-M191 HydrophobicContact CD1-CG 4.4Å; I166-M191 WeakPolarHBondContact O-CA 3.5Å; I179-M191 HydrophobicContact CD1-CB 4.29Å; I179-M191 HydrophobicContact CG1-CB 4.32Å; I179-M191 HydrophobicContact CG2-CB 3.81Å; I179-M191 HydrophobicContact CG2-CG 4.48Å; I179-M191 HydrophobicContact CG2-SD 3.86Å; E183-M191 HydrophobicContact CB-CE 4.14Å; E183-M191 HydrophobicContact CB-SD 3.84Å; F186-M191 HydrophobicContact CB-CE 3.51Å; F186-M191 HydrophobicContact CD2-CE 3.46Å; F186-M191 VanDerWaalsContact CD2-CE 3.46Å; F186-M191 HydrophobicContact CD2-SD 4.5Å; F186-M191 HydrophobicContact CE2-CE 4.45Å; F186-M191 HydrophobicContact CG-CE 3.74Å; T189-M191 HydrophobicContact CG2-CE 3.95Å; T189-M191 HydrophobicContact CG2-CG 3.99Å
192M98.6Very high94.6Very high0 Ų030.2 Ų30.20%017%0.167CC..EExtended strand (participates in β ladder)trans-145.2128.4-177.8-175.8173.478.500111.8I45 T47 L99 M100 I166 F167 V168 V194I45-M192 HydrophobicContact CB-CB 4.23Å; I45-M192 HydrophobicContact CB-CG 4.07Å; I45-M192 HydrophobicContact CB-SD 4.25Å; I45-M192 HydrophobicContact CG2-CG 4.25Å; I45-M192 HydrophobicContact CG2-SD 4.01Å; T47-M192 HydrophobicContact CG2-CG 4.3Å; T47-M192 HydrophobicContact CG2-SD 4Å; L99-M192 HydrophobicContact CD2-SD 3.81Å; L99-M192 HydrophobicContact CG-SD 4.03Å; M100-M192 HydrophobicContact CB-CE 3.61Å; M100-M192 HydrophobicContact CG-CE 4.35Å; I166-M192 PolarHBondContact O-N 3.12Å; F167-M192 WeakPolarHBondContact CA-O 3.15Å; F167-M192 HydrophobicContact CD1-CB 4.04Å; F167-M192 HydrophobicContact CD1-CE 3.85Å; F167-M192 HydrophobicContact CE1-CB 4.19Å; F167-M192 HydrophobicContact CE1-CE 3.58Å; V168-M192 PolarHBondContact N-O 3.2Å; M192-V194 HydrophobicContact CE-CG1 3.56Å; M192-V194 HydrophobicContact CG-CG1 4.28Å; M192-V194 PolarHBondContact O-N 3.43Å
193G97.4Very high94.1Very high0 Ų032.6 Ų32.60%019%0.194CC..EExtended strand (participates in β ladder)trans-70.1120.5168.100000110.6T47 V168 Q175T47-G193 PolarHBondContact OG1-O 2.84Å; V168-G193 CarbonylContact O-C 3.57Å; V168-G193 WeakPolarHBondContact O-CA 3.17Å; Q175-G193 VanDerWaalsContact NE2-C 3.33Å
194V95.9Very high93.2Very high8 Ų833.3 Ų33.35%0.04821%0.208CC..  trans-113.5-2.4-175.4-61.20000113.5M100 F167 V168 M192 G196 S197 L198M100-V194 HydrophobicContact CB-CG1 4.35Å; M100-V194 HydrophobicContact CG-CG1 4.29Å; M100-V194 HydrophobicContact SD-CB 4.06Å; M100-V194 HydrophobicContact SD-CG1 3.78Å; M100-V194 HydrophobicContact SD-CG2 4.25Å; F167-V194 HydrophobicContact CB-CG1 3.98Å; F167-V194 HydrophobicContact CB-CG2 4.11Å; F167-V194 HydrophobicContact CD1-CG1 3.69Å; F167-V194 HydrophobicContact CG-CG1 4.14Å; V168-V194 PolarHBondContact O-N 3.21Å; M192-V194 HydrophobicContact CE-CG1 3.56Å; M192-V194 HydrophobicContact CG-CG1 4.28Å; M192-V194 PolarHBondContact O-N 3.43Å; V194-G196 PolarHBondContact O-N 2.74Å; V194-S197 VanDerWaalsContact O-CB 3.27Å; V194-S197 WeakPolarHBondContact O-CB 3.49Å; V194-S197 PolarHBondContact O-N 2.9Å; V194-S197 VanDerWaalsContact O-N 3.13Å; V194-S197 PolarHBondContact O-OG 3.39Å; V194-L198 HydrophobicContact CG2-CD2 4.4Å; V194-L198 HydrophobicContact CG2-CG 4.22Å
195G90Very high92.3Very high16 Ų1630.1 Ų30.117%0.16519%0.188CC..THydrogen-bonded Turntrans46.9-128.1-179.700000112.1G169 Q175 S197G169-G195 VanDerWaalsContact CA-O 3.25Å; G169-G195 WeakPolarHBondContact CA-O 3.3Å; Q175-G195 VanDerWaalsContact OE1-CA 3.29Å; Q175-G195 VanDerWaalsContact OE1-N 3.08Å; G195-S197 PolarHBondContact O-N 3.25Å
196G88.7Confident91.4Very high19 Ų1935.6 Ų35.620%0.19621%0.211CC..THydrogen-bonded Turntrans-75.817.5-175.800000116.2V194 E199V194-G196 PolarHBondContact O-N 2.74Å; G196-E199 WeakPolarHBondContact CA-OE2 3.39Å
197S92.2Very high90.5Very high10 Ų1038.3 Ų38.37%0.0722%0.221CC..Hα-helixtrans-73.1-32.1-176.9-59.10000112V194 G195 E199 V200 F201V194-S197 VanDerWaalsContact O-CB 3.27Å; V194-S197 WeakPolarHBondContact O-CB 3.49Å; V194-S197 PolarHBondContact O-N 2.9Å; V194-S197 VanDerWaalsContact O-N 3.13Å; V194-S197 PolarHBondContact O-OG 3.39Å; G195-S197 PolarHBondContact O-N 3.25Å; S197-E199 VanDerWaalsContact C-N 3.34Å; S197-E199 PolarHBondContact O-N 3.29Å; S197-V200 WeakPolarHBondContact O-CB 3.36Å; S197-V200 PolarHBondContact O-N 2.8Å; S197-V200 VanDerWaalsContact O-N 3.08Å; S197-F201 VanDerWaalsContact O-CD2 3.26Å; S197-F201 WeakPolarHBondContact O-CD2 3.29Å; S197-F201 PolarHBondContact O-N 2.93Å
198L94.5Very high89.7Confident0 Ų031.8 Ų31.80%019%0.191CC..Hα-helixtrans-62.9-41.5177.9-59.7-179.7000111.1M100 L116 A119 V124 A127 V194 V200 F201 A202M100-L198 HydrophobicContact CE-CD2 4.05Å; L116-L198 HydrophobicContact CB-CD2 4.44Å; L116-L198 HydrophobicContact CD2-CD2 4.16Å; A119-L198 HydrophobicContact CB-CB 4.41Å; V124-L198 HydrophobicContact CG2-CD1 4.21Å; A127-L198 HydrophobicContact CB-CB 4.45Å; V194-L198 HydrophobicContact CG2-CD2 4.4Å; V194-L198 HydrophobicContact CG2-CG 4.22Å; L198-V200 PolarHBondContact O-N 3.11Å; L198-F201 PolarHBondContact O-N 3.2Å; L198-A202 VanDerWaalsContact O-CB 3.3Å; L198-A202 WeakPolarHBondContact O-CB 3.44Å; L198-A202 PolarHBondContact O-N 3.22Å
199E91.4Very high88.9Confident39 Ų3932.3 Ų32.318%0.18219%0.193CC..Hα-helixtrans-60.5-31.5174-63.690.4127.400112.6V123 G196 S197 G203 A204 K205V123-E199 HydrophobicContact CG1-CB 4.37Å; V123-E199 HydrophobicContact CG1-CG 4.03Å; G196-E199 WeakPolarHBondContact CA-OE2 3.39Å; S197-E199 VanDerWaalsContact C-N 3.34Å; S197-E199 PolarHBondContact O-N 3.29Å; E199-G203 PolarHBondContact O-N 3.29Å; E199-A204 HydrophobicContact CB-CB 4.44Å; E199-A204 PolarHBondContact O-N 3.1Å; E199-K205 HydrophobicContact CB-CB 4.12Å; E199-K205 HydrophobicContact CB-CD 3.92Å; E199-K205 HydrophobicContact CB-CG 3.89Å; E199-K205 HydrophobicContact CG-CD 4.28Å; E199-K205 PolarHBondContact O-N 3.34Å
200V91Very high88.1Confident30 Ų3039.2 Ų39.218%0.18222%0.22CC..Hα-helixtrans-74.2-45.2177.6177.40000110.7I97 S197 L198 A202 G203 K205 R207I97-V200 HydrophobicContact CD1-CB 3.75Å; I97-V200 HydrophobicContact CD1-CG1 3.64Å; I97-V200 HydrophobicContact CD1-CG2 4.14Å; S197-V200 WeakPolarHBondContact O-CB 3.36Å; S197-V200 PolarHBondContact O-N 2.8Å; S197-V200 VanDerWaalsContact O-N 3.08Å; L198-V200 PolarHBondContact O-N 3.11Å; V200-A202 VanDerWaalsContact C-N 3.31Å; V200-A202 PolarHBondContact O-N 2.93Å; V200-G203 PolarHBondContact O-N 3.09Å; V200-G203 VanDerWaalsContact O-N 3.1Å; V200-K205 WeakPolarHBondContact CA-O 3.49Å; V200-K205 HydrophobicContact CG2-CB 4.24Å; V200-R207 HydrophobicContact CG1-CB 3.91Å
201F91.6Very high86.9Confident34 Ų3444.7 Ų44.715%0.14925%0.248CC..Hα-helixtrans-66.2-33.5176.5-74.3-64000112.7I97 M100 A127 A130 L131 S197 L198 G203I97-F201 HydrophobicContact CD1-CE2 4.43Å; I97-F201 HydrophobicContact CG1-CE2 3.97Å; I97-F201 HydrophobicContact CG1-CZ 4.17Å; M100-F201 HydrophobicContact CE-CD2 4.06Å; M100-F201 HydrophobicContact CE-CE2 3.91Å; M100-F201 HydrophobicContact CG-CE2 4.34Å; M100-F201 HydrophobicContact SD-CD2 4.18Å; M100-F201 HydrophobicContact SD-CE2 3.64Å; A127-F201 HydrophobicContact CB-CB 4.25Å; A130-F201 WeakPolarHBondContact CB-O 3.13Å; L131-F201 HydrophobicContact CD1-CB 4.46Å; L131-F201 HydrophobicContact CD1-CG 4.39Å; L131-F201 HydrophobicContact CD2-CB 4.41Å; L131-F201 HydrophobicContact CD2-CD1 3.57Å; L131-F201 HydrophobicContact CD2-CD2 4.47Å; L131-F201 HydrophobicContact CD2-CE1 3.85Å; L131-F201 HydrophobicContact CD2-CG 3.92Å; L131-F201 HydrophobicContact CD2-CZ 4.41Å; L131-F201 HydrophobicContact CG-CB 4.28Å; L131-F201 HydrophobicContact CG-CD1 4.35Å; L131-F201 HydrophobicContact CG-CG 4.27Å; S197-F201 VanDerWaalsContact O-CD2 3.26Å; S197-F201 WeakPolarHBondContact O-CD2 3.29Å; S197-F201 PolarHBondContact O-N 2.93Å; L198-F201 PolarHBondContact O-N 3.2Å; F201-G203 PolarHBondContact O-N 3.1Å
202A92.2Very high86Confident24 Ų2447.8 Ų47.820%0.19826%0.262CS..THydrogen-bonded Turntrans-67.2-11.7172.200000114V123 A126 A127 L198 V200 A204V123-A202 HydrophobicContact CG1-CB 3.83Å; V123-A202 WeakPolarHBondContact O-CB 3.39Å; A126-A202 HydrophobicContact CB-CB 3.9Å; A127-A202 HydrophobicContact CB-CB 4.1Å; L198-A202 VanDerWaalsContact O-CB 3.3Å; L198-A202 WeakPolarHBondContact O-CB 3.44Å; L198-A202 PolarHBondContact O-N 3.22Å; V200-A202 VanDerWaalsContact C-N 3.31Å; V200-A202 PolarHBondContact O-N 2.93Å; A202-A204 HydrophobicContact CB-CB 4.36Å; A202-A204 PolarHBondContact O-N 2.95Å
203G85.7Confident85.1Confident58 Ų5851.1 Ų51.160%0.59827%0.274SS*.THydrogen-bonded Turntrans75.3-1.7-171.700000114.5E199 V200 F201 K205E199-G203 PolarHBondContact O-N 3.29Å; V200-G203 PolarHBondContact O-N 3.09Å; V200-G203 VanDerWaalsContact O-N 3.1Å; F201-G203 PolarHBondContact O-N 3.1Å; G203-K205 VanDerWaalsContact C-N 3.28Å; G203-K205 PolarHBondContact O-N 3.11Å
204A74.8Confident84.3Confident66 Ų6658 Ų5855%0.54530%0.304SS..SBendtrans-66.6-28.9178.100000112.6V123 E199 A202V123-A204 HydrophobicContact CG2-CB 4.39Å; E199-A204 HydrophobicContact CB-CB 4.44Å; E199-A204 PolarHBondContact O-N 3.1Å; A202-A204 HydrophobicContact CB-CB 4.36Å; A202-A204 PolarHBondContact O-N 2.95Å
205K75.2Confident83.3Confident66 Ų6662.8 Ų62.829%0.28733%0.329SS..SBendtrans-124.9125.5172.3-70.2-173.6-175.7-1740110.8E199 V200 G203 R207 D226E199-K205 HydrophobicContact CB-CB 4.12Å; E199-K205 HydrophobicContact CB-CD 3.92Å; E199-K205 HydrophobicContact CB-CG 3.89Å; E199-K205 HydrophobicContact CG-CD 4.28Å; E199-K205 PolarHBondContact O-N 3.34Å; V200-K205 WeakPolarHBondContact CA-O 3.49Å; V200-K205 HydrophobicContact CG2-CB 4.24Å; G203-K205 VanDerWaalsContact C-N 3.28Å; G203-K205 PolarHBondContact O-N 3.11Å; K205-R207 PolarHBondContact O-N 3.13Å; K205-D226 IonicContact NZ-OD2 2.74Å; K205-D226 PolarHBondContact NZ-OD2 3.34Å
206K76.3Confident82.7Confident176 Ų17665 Ų6577%0.76534%0.337SS*.PPolyproline II helixtrans-69.2128.7172.7-70.7-175.2179.51800110.3
207R77.4Confident82.1Confident70 Ų7066.6 Ų66.626%0.26434%0.341SS..PPolyproline II helixtrans-61.1146.1168.2-167.5162.2-177.3-175.9-7.1109.8E98 V200 K205E98-R207 IonicContact OE1-CZ 2.74Å; E98-R207 IonicContact OE1-NH2 3.69Å; E98-R207 PolarHBondContact OE1-NH2 3.41Å; V200-R207 HydrophobicContact CG1-CB 3.91Å; K205-R207 PolarHBondContact O-N 3.13Å
208A78.7Confident81.3Confident3 Ų366.5 Ų66.53%0.02534%0.339CS..PPolyproline II helixtrans-57.2137.7177.400000111.2F212 R213 E218 Y221A208-F212 HydrophobicContact CB-CB 4.11Å; A208-R213 HydrophobicContact CB-CG 4.13Å; A208-R213 PolarHBondContact O-NE 3.19Å; A208-E218 HydrophobicContact CB-CB 3.93Å; A208-E218 HydrophobicContact CB-CG 3.65Å; A208-Y221 VanDerWaalsContact CA-CD1 3.45Å; A208-Y221 VanDerWaalsContact CA-CE1 3.42Å; A208-Y221 HydrophobicContact CB-CD1 3.45Å; A208-Y221 VanDerWaalsContact CB-CD1 3.45Å; A208-Y221 HydrophobicContact CB-CE1 4Å; A208-Y221 HydrophobicContact CB-CG 3.86Å
209P80.7Confident80.3Confident56 Ų5672.3 Ų72.336%0.36436%0.361SS..PPolyproline II helixtrans-51.7151176.6-25.231.4000111.2I211 F212 R213 Y221P209-I211 PolarHBondContact O-N 3.41Å; P209-I211 VanDerWaalsContact O-N 3.11Å; P209-F212 HydrophobicContact CB-CD2 4.07Å; P209-F212 HydrophobicContact CG-CD2 4.06Å; P209-F212 HydrophobicContact CG-CE2 4.48Å; P209-F212 WeakPolarHBondContact O-CB 3.36Å; P209-F212 PolarHBondContact O-N 3.47Å; P209-R213 PolarHBondContact O-N 3.41Å; P209-R213 VanDerWaalsContact O-N 3.15Å; P209-Y221 HydrophobicContact CG-CD2 4.42Å; P209-Y221 HydrophobicContact CG-CE2 3.97Å
210Y80.8Confident79.3Confident148 Ų14873.2 Ų73.258%0.5837%0.367SS*.Hα-helixtrans-53-39-175177.5-102.2000112.8F212 R213 K214Y210-F212 PolarHBondContact O-N 3Å; Y210-R213 PolarHBondContact O-N 3.33Å; Y210-K214 HydrophobicContact CE1-CB 4.35Å; Y210-K214 HydrophobicContact CE1-CD 3.85Å; Y210-K214 WeakPolarHBondContact O-CB 3.28Å; Y210-K214 PolarHBondContact O-N 3.44Å
211I73.9Confident78.5Confident115 Ų11573.6 Ų73.659%0.5937%0.365SS*.Hα-helixtrans-59-45.5177-63.5169000111.3P209 R213 K214 L215P209-I211 PolarHBondContact O-N 3.41Å; P209-I211 VanDerWaalsContact O-N 3.11Å; I211-R213 VanDerWaalsContact C-N 3.33Å; I211-R213 PolarHBondContact O-N 3.17Å; I211-K214 PolarHBondContact O-N 2.8Å; I211-L215 HydrophobicContact CG2-CD1 3.76Å; I211-L215 HydrophobicContact CG2-CG 4.31Å; I211-L215 VanDerWaalsContact O-CB 3.3Å; I211-L215 WeakPolarHBondContact O-CB 3.46Å; I211-L215 VanDerWaalsContact O-CG 3.27Å; I211-L215 WeakPolarHBondContact O-CG 3.21Å; I211-L215 PolarHBondContact O-N 3.19Å
212F78.2Confident77.8Confident65 Ų6575.5 Ų75.529%0.28537%0.371SS..Hα-helixtrans-65.6-36.7178.5-76.9-102.2000112.1A208 P209 Y210 N216 I217 E218A208-F212 HydrophobicContact CB-CB 4.11Å; P209-F212 HydrophobicContact CB-CD2 4.07Å; P209-F212 HydrophobicContact CG-CD2 4.06Å; P209-F212 HydrophobicContact CG-CE2 4.48Å; P209-F212 WeakPolarHBondContact O-CB 3.36Å; P209-F212 PolarHBondContact O-N 3.47Å; Y210-F212 PolarHBondContact O-N 3Å; F212-N216 PolarHBondContact O-N 3Å; F212-N216 VanDerWaalsContact O-N 3.16Å; F212-I217 HydrophobicContact CB-CG1 4.29Å; F212-I217 HydrophobicContact CD1-CD1 3.84Å; F212-I217 HydrophobicContact CD1-CG1 3.82Å; F212-I217 HydrophobicContact CE1-CD1 4.17Å; F212-I217 HydrophobicContact CG-CD1 4.48Å; F212-I217 HydrophobicContact CG-CG1 4.34Å; F212-I217 PolarHBondContact O-N 3.33Å; F212-E218 PolarHBondContact O-N 2.9Å
213R81Confident76.8Confident70 Ų7074.8 Ų74.826%0.26437%0.365SS..Hα-helixtrans-67.4-47.4174.8-69.1-173.5-77144.8-1.8111.3A208 P209 Y210 I211 L215 N216 E218A208-R213 HydrophobicContact CB-CG 4.13Å; A208-R213 PolarHBondContact O-NE 3.19Å; P209-R213 PolarHBondContact O-N 3.41Å; P209-R213 VanDerWaalsContact O-N 3.15Å; Y210-R213 PolarHBondContact O-N 3.33Å; I211-R213 VanDerWaalsContact C-N 3.33Å; I211-R213 PolarHBondContact O-N 3.17Å; R213-L215 VanDerWaalsContact C-N 3.33Å; R213-L215 PolarHBondContact O-N 2.87Å; R213-N216 WeakPolarHBondContact O-CA 3.4Å; R213-N216 PolarHBondContact O-N 3.46Å; R213-N216 PolarHBondContact O-OD1 3.33Å; R213-E218 HydrophobicContact CG-CB 4.5Å
214K79.9Confident76.2Confident145 Ų14578.4 Ų78.463%0.6337%0.37SS*.Hα-helixtrans-61.3-40.5178.2-173.8176.4179.4178.10112.2Y210 I211 N216Y210-K214 HydrophobicContact CE1-CB 4.35Å; Y210-K214 HydrophobicContact CE1-CD 3.85Å; Y210-K214 WeakPolarHBondContact O-CB 3.28Å; Y210-K214 PolarHBondContact O-N 3.44Å; I211-K214 PolarHBondContact O-N 2.8Å; K214-N216 PolarHBondContact O-N 3.43Å
215L76Confident76.2Confident109 Ų10980.2 Ų80.257%0.57137%0.37SS*.THydrogen-bonded Turntrans-77.8-2.8175.1-67.2178.2000113.3I211 R213 I217I211-L215 HydrophobicContact CG2-CD1 3.76Å; I211-L215 HydrophobicContact CG2-CG 4.31Å; I211-L215 VanDerWaalsContact O-CB 3.3Å; I211-L215 WeakPolarHBondContact O-CB 3.46Å; I211-L215 VanDerWaalsContact O-CG 3.27Å; I211-L215 WeakPolarHBondContact O-CG 3.21Å; I211-L215 PolarHBondContact O-N 3.19Å; R213-L215 VanDerWaalsContact C-N 3.33Å; R213-L215 PolarHBondContact O-N 2.87Å; L215-I217 HydrophobicContact CB-CD1 4.05Å; L215-I217 HydrophobicContact CB-CG1 3.78Å; L215-I217 HydrophobicContact CD1-CD1 4.05Å; L215-I217 PolarHBondContact O-N 3.49Å
216N76.4Confident76Confident63 Ų6378.6 Ų78.634%0.33736%0.364SS..THydrogen-bonded Turntrans57.629.7-178.3-64.6-63.4000114.7T77 F212 R213 K214T77-N216 HydrophobicContact CG2-CB 3.33Å; T77-N216 WeakPolarHBondContact CG2-OD1 3.41Å; F212-N216 PolarHBondContact O-N 3Å; F212-N216 VanDerWaalsContact O-N 3.16Å; R213-N216 WeakPolarHBondContact O-CA 3.4Å; R213-N216 PolarHBondContact O-N 3.46Å; R213-N216 PolarHBondContact O-OD1 3.33Å; K214-N216 PolarHBondContact O-N 3.43Å
217I76.2Confident75.8Confident52 Ų5279.1 Ų79.127%0.26736%0.361SS..  trans-111.420.8177.557.3171.3000111.9F212 L215 W219 I220 Y221F212-I217 HydrophobicContact CB-CG1 4.29Å; F212-I217 HydrophobicContact CD1-CD1 3.84Å; F212-I217 HydrophobicContact CD1-CG1 3.82Å; F212-I217 HydrophobicContact CE1-CD1 4.17Å; F212-I217 HydrophobicContact CG-CD1 4.48Å; F212-I217 HydrophobicContact CG-CG1 4.34Å; F212-I217 PolarHBondContact O-N 3.33Å; L215-I217 HydrophobicContact CB-CD1 4.05Å; L215-I217 HydrophobicContact CB-CG1 3.78Å; L215-I217 HydrophobicContact CD1-CD1 4.05Å; L215-I217 PolarHBondContact O-N 3.49Å; I217-W219 PolarHBondContact O-N 3.35Å; I217-W219 VanDerWaalsContact O-N 3.13Å; I217-I220 HydrophobicContact CB-CD1 3.91Å; I217-I220 HydrophobicContact CB-CG1 4.16Å; I217-I220 HydrophobicContact CG2-CD1 4.01Å; I217-I220 WeakPolarHBondContact O-CB 3.43Å; I217-I220 PolarHBondContact O-N 2.95Å; I217-Y221 PolarHBondContact O-N 3.06Å
218E76.4Confident75.5Confident7 Ų783.1 Ų83.13%0.03338%0.381CS..Hα-helixtrans-53.2-32.1173.6165169.9-155.500112.5R93 A208 F212 R213 I220 Y221 R222R93-E218 IonicContact NH2-OE2 3.77Å; A208-E218 HydrophobicContact CB-CB 3.93Å; A208-E218 HydrophobicContact CB-CG 3.65Å; F212-E218 PolarHBondContact O-N 2.9Å; R213-E218 HydrophobicContact CG-CB 4.5Å; E218-I220 VanDerWaalsContact C-N 3.25Å; E218-I220 PolarHBondContact O-N 3.36Å; E218-Y221 PolarHBondContact O-N 3.19Å; E218-R222 HydrophobicContact CG-CG 4.17Å; E218-R222 WeakPolarHBondContact O-CB 3.16Å; E218-R222 WeakPolarHBondContact O-CG 3.25Å; E218-R222 PolarHBondContact O-N 3.17Å; E218-R222 IonicContact OE1-CZ 3.33Å; E218-R222 IonicContact OE1-NE 3.77Å; E218-R222 PolarHBondContact OE1-NE 3.05Å; E218-R222 IonicContact OE1-NH2 3.85Å; E218-R222 PolarHBondContact OE1-NH2 3.33Å
219W71.7Confident75.2Confident123 Ų12385 Ų8547%0.46639%0.387SS..Hα-helixtrans-61.4-33.6175.767.7-92.2000112.4I217 A223 L233 I236I217-W219 PolarHBondContact O-N 3.35Å; I217-W219 VanDerWaalsContact O-N 3.13Å; W219-A223 WeakPolarHBondContact O-CB 3.38Å; W219-A223 PolarHBondContact O-N 3.06Å; W219-L233 HydrophobicContact CE3-CD2 3.46Å; W219-L233 VanDerWaalsContact CE3-CD2 3.46Å; W219-L233 HydrophobicContact CZ3-CD2 3.49Å; W219-L233 VanDerWaalsContact CZ3-CD2 3.49Å; W219-I236 HydrophobicContact CD2-CD1 4.32Å; W219-I236 HydrophobicContact CE3-CD1 3.99Å; W219-I236 HydrophobicContact CZ3-CD1 4.2Å
220I71.2Confident74.7Confident58 Ų5886.5 Ų86.530%0.29739%0.391SS..Hα-helixtrans-66.8-50.5175.1-57.5-176.3000109.2I217 E218 R222 A223 L224I217-I220 HydrophobicContact CB-CD1 3.91Å; I217-I220 HydrophobicContact CB-CG1 4.16Å; I217-I220 HydrophobicContact CG2-CD1 4.01Å; I217-I220 WeakPolarHBondContact O-CB 3.43Å; I217-I220 PolarHBondContact O-N 2.95Å; E218-I220 VanDerWaalsContact C-N 3.25Å; E218-I220 PolarHBondContact O-N 3.36Å; I220-R222 VanDerWaalsContact C-N 3.3Å; I220-R222 PolarHBondContact O-N 3.08Å; I220-A223 PolarHBondContact O-N 3.19Å; I220-A223 VanDerWaalsContact O-N 3.13Å; I220-L224 HydrophobicContact CG2-CD1 3.93Å; I220-L224 HydrophobicContact CG2-CG 4.31Å; I220-L224 WeakPolarHBondContact O-CG 3.28Å; I220-L224 PolarHBondContact O-N 3.38Å
221Y74.7Confident74.2Confident38 Ų3881.8 Ų81.815%0.14939%0.387CS..Hα-helixtrans-56.7-44.8177.8177.1-94000111.9A208 P209 I217 E218 A223 L224 I225A208-Y221 VanDerWaalsContact CA-CD1 3.45Å; A208-Y221 VanDerWaalsContact CA-CE1 3.42Å; A208-Y221 HydrophobicContact CB-CD1 3.45Å; A208-Y221 VanDerWaalsContact CB-CD1 3.45Å; A208-Y221 HydrophobicContact CB-CE1 4Å; A208-Y221 HydrophobicContact CB-CG 3.86Å; P209-Y221 HydrophobicContact CG-CD2 4.42Å; P209-Y221 HydrophobicContact CG-CE2 3.97Å; I217-Y221 PolarHBondContact O-N 3.06Å; E218-Y221 PolarHBondContact O-N 3.19Å; Y221-A223 PolarHBondContact O-N 2.97Å; Y221-L224 PolarHBondContact O-N 3.4Å; Y221-I225 HydrophobicContact CD1-CD1 3.88Å; Y221-I225 HydrophobicContact CD2-CD1 4.02Å; Y221-I225 HydrophobicContact CE1-CD1 3.27Å; Y221-I225 HydrophobicContact CE2-CD1 3.42Å; Y221-I225 VanDerWaalsContact CE2-CD1 3.42Å; Y221-I225 HydrophobicContact CG-CD1 4.24Å; Y221-I225 PolarHBondContact O-N 3.04Å; Y221-I225 VanDerWaalsContact O-N 3.13Å; Y221-I225 WeakPolarHBondContact OH-CD1 3Å
222R75.7Confident74.2Confident74 Ų7481.4 Ų81.428%0.27938%0.378SS..Hα-helixtrans-64.5-38.7177.4-73.1174.6177.3-1464.9112.4E218 I220 D226E218-R222 HydrophobicContact CG-CG 4.17Å; E218-R222 WeakPolarHBondContact O-CB 3.16Å; E218-R222 WeakPolarHBondContact O-CG 3.25Å; E218-R222 PolarHBondContact O-N 3.17Å; E218-R222 IonicContact OE1-CZ 3.33Å; E218-R222 IonicContact OE1-NE 3.77Å; E218-R222 PolarHBondContact OE1-NE 3.05Å; E218-R222 IonicContact OE1-NH2 3.85Å; E218-R222 PolarHBondContact OE1-NH2 3.33Å; I220-R222 VanDerWaalsContact C-N 3.3Å; I220-R222 PolarHBondContact O-N 3.08Å; R222-D226 WeakPolarHBondContact O-CB 3.33Å; R222-D226 PolarHBondContact O-N 2.61Å
223A71.1Confident74.1Confident9 Ų980.9 Ų80.97%0.07438%0.378CS..Hα-helixtrans-71-33177.800000112.7W219 I220 Y221 I230 L233W219-A223 WeakPolarHBondContact O-CB 3.38Å; W219-A223 PolarHBondContact O-N 3.06Å; I220-A223 PolarHBondContact O-N 3.19Å; I220-A223 VanDerWaalsContact O-N 3.13Å; Y221-A223 PolarHBondContact O-N 2.97Å; A223-I230 HydrophobicContact CB-CG1 4.45Å; A223-L233 HydrophobicContact CB-CD1 4.07Å; A223-L233 HydrophobicContact CB-CD2 4.24Å; A223-L233 HydrophobicContact CB-CG 4.37Å
224L73.6Confident74.1Confident133 Ų13385.1 Ų85.170%0.69640%0.399SS*.Hα-helixtrans-69.4-37.4176-71172000112.4I220 Y221I220-L224 HydrophobicContact CG2-CD1 3.93Å; I220-L224 HydrophobicContact CG2-CG 4.31Å; I220-L224 WeakPolarHBondContact O-CG 3.28Å; I220-L224 PolarHBondContact O-N 3.38Å; Y221-L224 PolarHBondContact O-N 3.4Å
225I74.3Confident74.1Confident105 Ų10578.9 Ų78.954%0.53837%0.374SS..Hα-helixtrans-84.7-35.8-178-71.5173000112.5Y221Y221-I225 HydrophobicContact CD1-CD1 3.88Å; Y221-I225 HydrophobicContact CD2-CD1 4.02Å; Y221-I225 HydrophobicContact CE1-CD1 3.27Å; Y221-I225 HydrophobicContact CE2-CD1 3.42Å; Y221-I225 VanDerWaalsContact CE2-CD1 3.42Å; Y221-I225 HydrophobicContact CG-CD1 4.24Å; Y221-I225 PolarHBondContact O-N 3.04Å; Y221-I225 VanDerWaalsContact O-N 3.13Å; Y221-I225 WeakPolarHBondContact OH-CD1 3Å
226D72.5Confident74.4Confident31 Ų3176.1 Ų76.117%0.16636%0.359CS..  trans-116.489.5-177.7-168.4-18.7000108.6K205 R222 K228 R229K205-D226 IonicContact NZ-OD2 2.74Å; K205-D226 PolarHBondContact NZ-OD2 3.34Å; R222-D226 WeakPolarHBondContact O-CB 3.33Å; R222-D226 PolarHBondContact O-N 2.61Å; D226-K228 PolarHBondContact O-N 3.24Å; D226-K228 VanDerWaalsContact O-N 3.11Å; D226-K228 WeakPolarHBondContact OD1-CB 3.46Å; D226-K228 PolarHBondContact OD1-N 2.95Å; D226-R229 HydrophobicContact CB-CB 4.41Å; D226-R229 HydrophobicContact CB-CG 4.01Å; D226-R229 WeakPolarHBondContact O-CA 3.39Å; D226-R229 VanDerWaalsContact O-CB 3.25Å; D226-R229 WeakPolarHBondContact O-CB 3.38Å; D226-R229 PolarHBondContact O-N 2.71Å
227W72.1Confident74.8Confident188 Ų18876.6 Ų76.671%0.71237%0.365SS*.G310 helixtrans-57.1-28-176.871.9-87.3000112.8R229 I230W227-R229 PolarHBondContact O-N 3.18Å; W227-I230 HydrophobicContact CB-CD1 4.21Å; W227-I230 VanDerWaalsContact O-CB 3.24Å; W227-I230 WeakPolarHBondContact O-CB 3.46Å; W227-I230 WeakPolarHBondContact O-CG1 3.26Å; W227-I230 PolarHBondContact O-N 3.39Å
228K70.8Confident75.4Confident154 Ų15477.7 Ų77.767%0.6737%0.371SS*.G310 helixtrans-62.9-26.3174.6-60.9-177.4179.2-1790111.5D226 I230D226-K228 PolarHBondContact O-N 3.24Å; D226-K228 VanDerWaalsContact O-N 3.11Å; D226-K228 WeakPolarHBondContact OD1-CB 3.46Å; D226-K228 PolarHBondContact OD1-N 2.95Å; K228-I230 VanDerWaalsContact C-N 3.31Å
229R71.6Confident76Confident41 Ų4177.6 Ų77.616%0.15537%0.37CS..G310 helixtrans-76.3-13174.7-66.8-174.6146.1169.8-2.1113.7D226 W227 G231 R232D226-R229 HydrophobicContact CB-CB 4.41Å; D226-R229 HydrophobicContact CB-CG 4.01Å; D226-R229 WeakPolarHBondContact O-CA 3.39Å; D226-R229 VanDerWaalsContact O-CB 3.25Å; D226-R229 WeakPolarHBondContact O-CB 3.38Å; D226-R229 PolarHBondContact O-N 2.71Å; W227-R229 PolarHBondContact O-N 3.18Å; R229-G231 PolarHBondContact O-N 3.47Å; R229-R232 WeakPolarHBondContact O-CB 3.48Å; R229-R232 PolarHBondContact O-N 3.42Å
230I70.6Confident76.9Confident89 Ų8976.3 Ų76.346%0.45637%0.371SS..G310 helixtrans-60-35.6175.9-66.2172.3000110.8A223 W227 K228 R232 L233A223-I230 HydrophobicContact CB-CG1 4.45Å; W227-I230 HydrophobicContact CB-CD1 4.21Å; W227-I230 VanDerWaalsContact O-CB 3.24Å; W227-I230 WeakPolarHBondContact O-CB 3.46Å; W227-I230 WeakPolarHBondContact O-CG1 3.26Å; W227-I230 PolarHBondContact O-N 3.39Å; K228-I230 VanDerWaalsContact C-N 3.31Å; I230-R232 PolarHBondContact O-N 2.93Å; I230-R232 VanDerWaalsContact O-N 3.15Å; I230-L233 HydrophobicContact CG2-CD1 4.23Å; I230-L233 WeakPolarHBondContact O-CB 3.35Å; I230-L233 WeakPolarHBondContact O-CG 3.26Å; I230-L233 PolarHBondContact O-N 3.35Å
231G71.2Confident77.9Confident48 Ų4880.5 Ų80.550%0.49538%0.384SS..G310 helixtrans-56.5-32.317500000112.9R229 L233 K234R229-G231 PolarHBondContact O-N 3.47Å; G231-L233 VanDerWaalsContact C-N 3.25Å; G231-L233 PolarHBondContact O-N 3.37Å; G231-K234 WeakPolarHBondContact O-CB 3.45Å; G231-K234 PolarHBondContact O-N 3.47Å
232R73.7Confident78.8Confident107 Ų10781 Ų8140%0.40439%0.387SS..G310 helixtrans-71.3-20.7178.4-49.8177.6177.6-143.21.1112.4E51 R229 I230 K234 S235E51-R232 WeakPolarHBondContact OE1-CB 3.41Å; E51-R232 VanDerWaalsContact OE1-CD 3.25Å; E51-R232 WeakPolarHBondContact OE1-CD 3.47Å; E51-R232 WeakPolarHBondContact OE1-CG 3.29Å; E51-R232 IonicContact OE1-NE 2.7Å; E51-R232 IonicContact OE1-NH1 3.18Å; E51-R232 WeakPolarHBondContact OE2-CD 3.17Å; E51-R232 IonicContact OE2-NH1 3.66Å; E51-R232 PolarHBondContact OE2-NH1 3.17Å; R229-R232 WeakPolarHBondContact O-CB 3.48Å; R229-R232 PolarHBondContact O-N 3.42Å; I230-R232 PolarHBondContact O-N 2.93Å; I230-R232 VanDerWaalsContact O-N 3.15Å; R232-K234 PolarHBondContact O-N 2.93Å; R232-S235 WeakPolarHBondContact O-CB 3.33Å; R232-S235 PolarHBondContact O-N 2.92Å; R232-S235 PolarHBondContact O-OG 3.45Å
233L76.1Confident79.6Confident55 Ų5577.7 Ų77.729%0.28838%0.375SS..G310 helixtrans-62.8-24.3176-62.6178.2000112.2W219 A223 I230 G231 S235 I236 P237W219-L233 HydrophobicContact CE3-CD2 3.46Å; W219-L233 VanDerWaalsContact CE3-CD2 3.46Å; W219-L233 HydrophobicContact CZ3-CD2 3.49Å; W219-L233 VanDerWaalsContact CZ3-CD2 3.49Å; A223-L233 HydrophobicContact CB-CD1 4.07Å; A223-L233 HydrophobicContact CB-CD2 4.24Å; A223-L233 HydrophobicContact CB-CG 4.37Å; I230-L233 HydrophobicContact CG2-CD1 4.23Å; I230-L233 WeakPolarHBondContact O-CB 3.35Å; I230-L233 WeakPolarHBondContact O-CG 3.26Å; I230-L233 PolarHBondContact O-N 3.35Å; G231-L233 VanDerWaalsContact C-N 3.25Å; G231-L233 PolarHBondContact O-N 3.37Å; L233-S235 PolarHBondContact O-N 2.81Å; L233-I236 HydrophobicContact CD2-CD1 3.73Å; L233-I236 WeakPolarHBondContact O-CB 3.34Å; L233-I236 PolarHBondContact O-N 2.82Å; L233-P237 WeakPolarHBondContact O-CD 3.41Å
234K79.9Confident80.6Confident158 Ų15879.3 Ų79.369%0.68739%0.388SS*.G310 helixtrans-62-28.4173.5-64.6-179.1-179.3179.80112.5G231 R232 I236 P237 I238G231-K234 WeakPolarHBondContact O-CB 3.45Å; G231-K234 PolarHBondContact O-N 3.47Å; R232-K234 PolarHBondContact O-N 2.93Å; K234-I236 VanDerWaalsContact C-N 3.28Å; K234-I236 PolarHBondContact O-N 2.67Å; K234-P237 VanDerWaalsContact O-CD 3.28Å; K234-P237 WeakPolarHBondContact O-CD 3.43Å; K234-P237 WeakPolarHBondContact O-CG 3.48Å; K234-I238 WeakPolarHBondContact O-CD1 3.3Å; K234-I238 VanDerWaalsContact O-CG1 3.29Å; K234-I238 WeakPolarHBondContact O-CG1 3.4Å
235S79.6Confident81.5Confident15 Ų1578.3 Ų78.311%0.10538%0.378CS..Hα-helixtrans-66.9-29.6177.371.50000112.4R232 L233 I238 F239R232-S235 WeakPolarHBondContact O-CB 3.33Å; R232-S235 PolarHBondContact O-N 2.92Å; R232-S235 PolarHBondContact O-OG 3.45Å; L233-S235 PolarHBondContact O-N 2.81Å; S235-I238 PolarHBondContact O-N 3.27Å; S235-F239 WeakPolarHBondContact O-CB 3.5Å; S235-F239 PolarHBondContact O-N 2.92Å
236I82.2Confident82.3Confident51 Ų5174.4 Ų74.426%0.26236%0.361SS..Hα-helixtrans-64.3-55-176.5-57.3176.9000112.4W219 L233 K234 I238 F239 M240W219-I236 HydrophobicContact CD2-CD1 4.32Å; W219-I236 HydrophobicContact CE3-CD1 3.99Å; W219-I236 HydrophobicContact CZ3-CD1 4.2Å; L233-I236 HydrophobicContact CD2-CD1 3.73Å; L233-I236 WeakPolarHBondContact O-CB 3.34Å; L233-I236 PolarHBondContact O-N 2.82Å; K234-I236 VanDerWaalsContact C-N 3.28Å; K234-I236 PolarHBondContact O-N 2.67Å; I236-I238 VanDerWaalsContact C-N 3.31Å; I236-I238 PolarHBondContact O-N 2.7Å; I236-F239 PolarHBondContact O-N 3.28Å; I236-M240 HydrophobicContact CG2-CE 4.19Å; I236-M240 WeakPolarHBondContact O-CG 3.46Å; I236-M240 PolarHBondContact O-N 3.15Å
237P85.6Confident83Confident72 Ų7277.7 Ų77.747%0.46837%0.374SS..Hα-helixtrans-64-36.6177.825-33.2000112.1L233 K234 M240 Y241L233-P237 WeakPolarHBondContact O-CD 3.41Å; K234-P237 VanDerWaalsContact O-CD 3.28Å; K234-P237 WeakPolarHBondContact O-CD 3.43Å; K234-P237 WeakPolarHBondContact O-CG 3.48Å; P237-M240 PolarHBondContact O-N 3.13Å; P237-Y241 WeakPolarHBondContact O-CB 3.43Å; P237-Y241 PolarHBondContact O-N 2.94Å
238I88.7Confident83.8Confident76 Ų7677.2 Ų77.239%0.3937%0.372SS..Hα-helixtrans-62.6-47.6176-62.6170.9000110.3N54 K234 S235 I236 Y241 K242N54-I238 WeakPolarHBondContact OD1-CG2 3.43Å; K234-I238 WeakPolarHBondContact O-CD1 3.3Å; K234-I238 VanDerWaalsContact O-CG1 3.29Å; K234-I238 WeakPolarHBondContact O-CG1 3.4Å; S235-I238 PolarHBondContact O-N 3.27Å; I236-I238 VanDerWaalsContact C-N 3.31Å; I236-I238 PolarHBondContact O-N 2.7Å; I238-Y241 PolarHBondContact O-N 3.49Å; I238-K242 HydrophobicContact CG2-CD 4.28Å; I238-K242 WeakPolarHBondContact O-CG 3.34Å; I238-K242 PolarHBondContact O-N 2.88Å
239F90.1Very high84.4Confident5 Ų576.7 Ų76.72%0.02237%0.37CS..Hα-helixtrans-58.9-48.6176.4176.8-104.6000111.1I14 L15 P50 V53 N54 A82 S235 I236 Y241 K242 I243I14-F239 HydrophobicContact CG2-CE2 4.42Å; I14-F239 HydrophobicContact CG2-CZ 4.26Å; L15-F239 HydrophobicContact CD1-CD2 4.04Å; L15-F239 HydrophobicContact CD1-CE2 3.93Å; P50-F239 HydrophobicContact CB-CD1 3.84Å; P50-F239 HydrophobicContact CB-CD2 4.45Å; P50-F239 HydrophobicContact CB-CE1 4.01Å; P50-F239 HydrophobicContact CB-CG 4.07Å; P50-F239 HydrophobicContact CB-CZ 4.41Å; P50-F239 HydrophobicContact CG-CE1 4.41Å; V53-F239 HydrophobicContact CB-CD2 4.41Å; V53-F239 HydrophobicContact CB-CE2 3.89Å; V53-F239 HydrophobicContact CG1-CD2 4.32Å; V53-F239 HydrophobicContact CG1-CE2 3.66Å; N54-F239 HydrophobicContact CB-CB 4.35Å; N54-F239 HydrophobicContact CB-CD2 4.43Å; A82-F239 HydrophobicContact CB-CE1 3.8Å; A82-F239 HydrophobicContact CB-CZ 3.66Å; S235-F239 WeakPolarHBondContact O-CB 3.5Å; S235-F239 PolarHBondContact O-N 2.92Å; I236-F239 PolarHBondContact O-N 3.28Å; F239-Y241 VanDerWaalsContact C-N 3.31Å; F239-Y241 PolarHBondContact O-N 3.46Å; F239-K242 PolarHBondContact O-N 3Å; F239-I243 HydrophobicContact CD1-CG1 4.31Å; F239-I243 HydrophobicContact CD2-CG1 4.46Å; F239-I243 HydrophobicContact CE1-CG1 3.95Å; F239-I243 HydrophobicContact CE2-CD1 4.08Å; F239-I243 HydrophobicContact CE2-CG1 4.08Å; F239-I243 HydrophobicContact CZ-CD1 3.94Å; F239-I243 HydrophobicContact CZ-CG1 3.82Å; F239-I243 WeakPolarHBondContact O-CG1 3.4Å; F239-I243 PolarHBondContact O-N 3.26Å
240M89.8Confident84.9Confident95 Ų9577.8 Ų77.847%0.46838%0.378SS..Hα-helixtrans-59.5-40.7177.3-71-168-60.700112.5I236 P237 I243 A244I236-M240 HydrophobicContact CG2-CE 4.19Å; I236-M240 WeakPolarHBondContact O-CG 3.46Å; I236-M240 PolarHBondContact O-N 3.15Å; P237-M240 PolarHBondContact O-N 3.13Å; M240-I243 PolarHBondContact O-N 3.04Å; M240-A244 WeakPolarHBondContact O-CB 3.41Å; M240-A244 PolarHBondContact O-N 3.13Å
241Y92.8Very high85.1Confident147 Ų14781.7 Ų81.758%0.57639%0.392SS*.Hα-helixtrans-62.7-45.6175.1172.4-104.9000111.9P237 I238 F239 I243 A244 K245P237-Y241 WeakPolarHBondContact O-CB 3.43Å; P237-Y241 PolarHBondContact O-N 2.94Å; I238-Y241 PolarHBondContact O-N 3.49Å; F239-Y241 VanDerWaalsContact C-N 3.31Å; F239-Y241 PolarHBondContact O-N 3.46Å; Y241-I243 VanDerWaalsContact C-N 3.35Å; Y241-I243 PolarHBondContact O-N 3.1Å; Y241-A244 PolarHBondContact O-N 3.25Å; Y241-K245 PolarHBondContact O-N 3.43Å
242K92.1Very high85.2Confident49 Ų4988.2 Ų88.221%0.21341%0.406CS..Hα-helixtrans-59.8-44.1176.1-73.1177.2178.2173.80111.6L15 N54 T57 I238 F239 A244 K245 A246L15-K242 HydrophobicContact CD1-CB 3.72Å; L15-K242 HydrophobicContact CD1-CD 4.5Å; L15-K242 HydrophobicContact CD2-CB 4.29Å; N54-K242 PolarHBondContact OD1-NZ 3.45Å; T57-K242 HydrophobicContact CG2-CD 4.47Å; T57-K242 PolarHBondContact OG1-NZ 2.99Å; I238-K242 HydrophobicContact CG2-CD 4.28Å; I238-K242 WeakPolarHBondContact O-CG 3.34Å; I238-K242 PolarHBondContact O-N 2.88Å; F239-K242 PolarHBondContact O-N 3Å; K242-A244 PolarHBondContact O-N 3.28Å; K242-K245 PolarHBondContact O-N 2.91Å; K242-A246 WeakPolarHBondContact O-CB 3.44Å; K242-A246 PolarHBondContact O-N 3.03Å
243I92.5Very high85.2Confident4 Ų487.5 Ų87.52%0.02142%0.423CS..Hα-helixtrans-60.9-43.2174.4-65-60.3000111.7I14 L15 A82 R85 L86 F239 M240 Y241 K245 A246 K247I14-I243 HydrophobicContact CG2-CD1 3.75Å; L15-I243 HydrophobicContact CD1-CD1 3.7Å; L15-I243 HydrophobicContact CD1-CG1 4.26Å; L15-I243 HydrophobicContact CD2-CD1 4.12Å; L15-I243 HydrophobicContact CG-CD1 3.7Å; A82-I243 HydrophobicContact CB-CD1 3.69Å; A82-I243 HydrophobicContact CB-CG1 3.79Å; A82-I243 HydrophobicContact CB-CG2 4.24Å; R85-I243 HydrophobicContact CB-CG2 4.15Å; L86-I243 HydrophobicContact CD1-CD1 3.99Å; L86-I243 HydrophobicContact CD2-CG2 4.36Å; L86-I243 HydrophobicContact CG-CG2 4.37Å; F239-I243 HydrophobicContact CD1-CG1 4.31Å; F239-I243 HydrophobicContact CD2-CG1 4.46Å; F239-I243 HydrophobicContact CE1-CG1 3.95Å; F239-I243 HydrophobicContact CE2-CD1 4.08Å; F239-I243 HydrophobicContact CE2-CG1 4.08Å; F239-I243 HydrophobicContact CZ-CD1 3.94Å; F239-I243 HydrophobicContact CZ-CG1 3.82Å; F239-I243 WeakPolarHBondContact O-CG1 3.4Å; F239-I243 PolarHBondContact O-N 3.26Å; M240-I243 PolarHBondContact O-N 3.04Å; Y241-I243 VanDerWaalsContact C-N 3.35Å; Y241-I243 PolarHBondContact O-N 3.1Å; I243-K245 VanDerWaalsContact C-N 3.35Å; I243-K245 PolarHBondContact O-N 3.26Å; I243-A246 PolarHBondContact O-N 3.33Å; I243-K247 WeakPolarHBondContact O-CB 3.32Å; I243-K247 PolarHBondContact O-N 3.47Å
244A92.2Very high84.5Confident43 Ų4394.8 Ų94.836%0.35545%0.453SS..Hα-helixtrans-63-40.6176.900000112.2M240 Y241 K242 R248M240-A244 WeakPolarHBondContact O-CB 3.41Å; M240-A244 PolarHBondContact O-N 3.13Å; Y241-A244 PolarHBondContact O-N 3.25Å; K242-A244 PolarHBondContact O-N 3.28Å; A244-R248 WeakPolarHBondContact O-CG 3.43Å; A244-R248 PolarHBondContact O-N 3.25Å; A244-R248 VanDerWaalsContact O-N 3.13Å
245K92.5Very high84.8Confident112 Ų11291.7 Ų91.749%0.48744%0.441SS..Hα-helixtrans-65-44.8175.1-172.3178.7179-179.50111.6Y241 K242 I243 R248 K249Y241-K245 PolarHBondContact O-N 3.43Å; K242-K245 PolarHBondContact O-N 2.91Å; I243-K245 VanDerWaalsContact C-N 3.35Å; I243-K245 PolarHBondContact O-N 3.26Å; K245-R248 PolarHBondContact O-N 2.87Å; K245-K249 PolarHBondContact O-N 3.47Å; K245-K249 VanDerWaalsContact O-N 3.11Å
246A90.7Very high85Confident22 Ų2295.7 Ų95.718%0.18246%0.459CS..Hα-helixtrans-61.2-46.417700000111.6L15 L86 K242 I243 R248 K249 I250L15-A246 HydrophobicContact CD2-CB 3.77Å; L86-A246 HydrophobicContact CD2-CB 3.94Å; K242-A246 WeakPolarHBondContact O-CB 3.44Å; K242-A246 PolarHBondContact O-N 3.03Å; I243-A246 PolarHBondContact O-N 3.33Å; A246-R248 VanDerWaalsContact C-N 3.28Å; A246-R248 PolarHBondContact O-N 2.89Å; A246-K249 WeakPolarHBondContact O-CB 3.43Å; A246-K249 PolarHBondContact O-N 3.06Å; A246-I250 PolarHBondContact O-N 3.36Å
247K89Confident85.2Confident100 Ų10098.2 Ų98.244%0.43547%0.47SS..Hα-helixtrans-56.1-41.4174.6-174.6-177.9-176.2176.20112.6R85 L86 I243 I250 K251R85-K247 VanDerWaalsContact O-CD 3.26Å; R85-K247 WeakPolarHBondContact O-CD 3.41Å; R85-K247 WeakPolarHBondContact O-CE 3.25Å; L86-K247 HydrophobicContact CD2-CB 4.22Å; I243-K247 WeakPolarHBondContact O-CB 3.32Å; I243-K247 PolarHBondContact O-N 3.47Å; K247-I250 PolarHBondContact O-N 2.92Å; K247-K251 PolarHBondContact O-N 3.13Å
248R87.5Confident85.1Confident178 Ų17899.7 Ų99.767%0.67247%0.47SS*.Hα-helixtrans-64.8-38.8176.9-75.8176.8178.5161.7-0.4112.1A244 K245 A246 K251 K252A244-R248 WeakPolarHBondContact O-CG 3.43Å; A244-R248 PolarHBondContact O-N 3.25Å; A244-R248 VanDerWaalsContact O-N 3.13Å; K245-R248 PolarHBondContact O-N 2.87Å; A246-R248 VanDerWaalsContact C-N 3.28Å; A246-R248 PolarHBondContact O-N 2.89Å; R248-K251 PolarHBondContact O-N 3.33Å; R248-K252 WeakPolarHBondContact O-CG 3.45Å; R248-K252 PolarHBondContact O-N 3.02Å; R248-K252 VanDerWaalsContact O-N 3.13Å
249K84.9Confident84.9Confident143 Ų143101.2 Ų101.262%0.62248%0.475SS*.Hα-helixtrans-62.7-47.7174.4-73.6-173.5173.6-171.10111.4K245 A246 K251 K252 A253K245-K249 PolarHBondContact O-N 3.47Å; K245-K249 VanDerWaalsContact O-N 3.11Å; A246-K249 WeakPolarHBondContact O-CB 3.43Å; A246-K249 PolarHBondContact O-N 3.06Å; K249-K251 VanDerWaalsContact C-N 3.28Å; K249-K251 PolarHBondContact O-N 3.42Å; K249-K252 PolarHBondContact O-N 3.41Å; K249-K252 VanDerWaalsContact O-N 3.07Å; K249-A253 PolarHBondContact O-N 3.13Å; K249-A253 VanDerWaalsContact O-N 3.13Å
250I81.5Confident84.6Confident65 Ų65107.6 Ų107.633%0.33351%0.505SS..Hα-helixtrans-58.5-41177.2-63.8168.4000111.1L86 A246 K247 K252 A253L86-I250 HydrophobicContact CD2-CD1 3.98Å; A246-I250 PolarHBondContact O-N 3.36Å; K247-I250 PolarHBondContact O-N 2.92Å; I250-K252 VanDerWaalsContact C-N 3.33Å; I250-K252 PolarHBondContact O-N 3.11Å; I250-A253 PolarHBondContact O-N 3.07Å
251K74.2Confident84.2Confident171 Ų171108.5 Ų108.574%0.74351%0.508SS*.Hα-helixtrans-66.8-31.8177.7-169.8-179.6177.2-172.90113K247 R248 K249K247-K251 PolarHBondContact O-N 3.13Å; R248-K251 PolarHBondContact O-N 3.33Å; K249-K251 VanDerWaalsContact C-N 3.28Å; K249-K251 PolarHBondContact O-N 3.42Å
252K73.4Confident83.5Confident184 Ų184105.5 Ų105.580%0.850%0.502SS*.Hα-helixtrans-78.8-21.8178.7-75.2-174.7174.9-165.70113.5R248 K249 I250 K254R248-K252 WeakPolarHBondContact O-CG 3.45Å; R248-K252 PolarHBondContact O-N 3.02Å; R248-K252 VanDerWaalsContact O-N 3.13Å; K249-K252 PolarHBondContact O-N 3.41Å; K249-K252 VanDerWaalsContact O-N 3.07Å; I250-K252 VanDerWaalsContact C-N 3.33Å; I250-K252 PolarHBondContact O-N 3.11Å; K252-K254 VanDerWaalsContact C-N 3.33Å
253A74Confident82.8Confident92 Ų92110.3 Ų110.376%0.7653%0.527SS*.THydrogen-bonded Turntrans-87.5-2.6178.100000113.3K249 I250K249-A253 PolarHBondContact O-N 3.13Å; K249-A253 VanDerWaalsContact O-N 3.13Å; I250-A253 PolarHBondContact O-N 3.07Å
254K61.6Low82Confident209 Ų209119.9 Ų119.991%0.90957%0.573SS**  trans-108.20172.6-70.7-169.9175.9-163.10109.2K252K252-K254 VanDerWaalsContact C-N 3.33Å

Retrieved 254 of 254 residues in 817.8 ms (Link to these results)

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