A0A077Z0B1_TRITR Loading...

Alpha-1,3/1,6-mannosyltransferase ALG2

Mannosylates Man(2)GlcNAc(2)-dolichol diphosphate and Man(1)GlcNAc(2)-dolichol diphosphate to form Man(3)GlcNAc(2)-dolichol diphosphate.

AlphaFold DB , UniProt , Accession A0A077Z0B1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 413 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
1M92.8Very high91.6Very high63 Ų6317.3 Ų17.331%0.318%0.078SC..  0154.50-77.8172.6-7000109.3I3 H31 E32 D87 M408 F411M1-I3 HydrophobicContact CB-CG1 4.27Å; M1-H31 WeakPolarHBondContact CE-NE2 3.48Å; M1-H31 PolarHBondContact N-ND1 2.98Å; M1-H31 WeakPolarHBondContact O-CA 3.4Å; M1-E32 PolarHBondContact O-N 2.74Å; M1-D87 WeakPolarHBondContact CA-OD2 3.45Å; M1-D87 HydrophobicContact CB-CB 4.06Å; M1-D87 HydrophobicContact CG-CB 3.99Å; M1-M408 HydrophobicContact CE-CE 3.22Å; M1-M408 HydrophobicContact SD-CE 4.1Å; M1-F411 HydrophobicContact SD-CD1 4.11Å; M1-F411 HydrophobicContact SD-CE1 3.95Å
2R96.9Very high91.2Very high99 Ų9919.3 Ų19.337%0.3749%0.087SC..EExtended strand (participates in β ladder)trans-90.1114.9169.2-66.5167.6-64.5173.110.1108.7E32 K85 F86 D87 L88R2-E32 HydrophobicContact CG-CB 4.39Å; R2-K85 WeakPolarHBondContact CD-O 3.43Å; R2-K85 PolarHBondContact NE-O 2.98Å; R2-K85 PolarHBondContact NH1-O 2.86Å; R2-K85 PolarHBondContact NH2-O 2.75Å; R2-F86 HydrophobicContact CB-CD1 4.22Å; R2-F86 CarbonylContact O-C 3.59Å; R2-F86 WeakPolarHBondContact O-CA 3.26Å; R2-D87 IonicContact CZ-OD1 3.58Å; R2-D87 PolarHBondContact N-OD2 3.05Å; R2-D87 IonicContact NE-OD1 3.37Å; R2-D87 IonicContact NE-OD2 3.36Å; R2-D87 IonicContact NH2-OD1 3.1Å; R2-D87 PolarHBondContact NH2-OD1 3.37Å; R2-D87 VanDerWaalsContact NH2-OD1 3.1Å; R2-D87 PolarHBondContact O-N 3.39Å; R2-L88 PolarHBondContact O-N 3.25Å
3I97.1Very high90.7Very high0 Ų018.4 Ų18.40%09%0.086CC..EExtended strand (participates in β ladder)trans-112.9126.6-173.4-54.5-176.2000109M1 M26 H31 E32 I33 T34 L88 L90M1-I3 HydrophobicContact CB-CG1 4.27Å; I3-M26 HydrophobicContact CD1-CB 4.12Å; I3-M26 HydrophobicContact CD1-CG 4.13Å; I3-M26 HydrophobicContact CD1-SD 3.51Å; I3-M26 VanDerWaalsContact CD1-SD 3.51Å; I3-M26 HydrophobicContact CG2-SD 4.14Å; I3-H31 HydrophobicContact CD1-CB 3.62Å; I3-H31 HydrophobicContact CG1-CB 4.2Å; I3-E32 PolarHBondContact N-O 2.78Å; I3-I33 HydrophobicContact CB-CD1 3.93Å; I3-I33 HydrophobicContact CD1-CD1 4.05Å; I3-I33 HydrophobicContact CG1-CD1 4.35Å; I3-I33 HydrophobicContact CG2-CD1 4.42Å; I3-T34 PolarHBondContact O-N 3.38Å; I3-L88 WeakPolarHBondContact CA-O 3.22Å; I3-L88 HydrophobicContact CD1-CD2 4.14Å; I3-L88 HydrophobicContact CG1-CB 4.29Å; I3-L88 HydrophobicContact CG1-CD2 4.45Å; I3-L88 HydrophobicContact CG2-CD2 4.44Å; I3-L90 HydrophobicContact CG2-CB 4.01Å
4L97.4Very high90.5Very high0 Ų019.8 Ų19.80%011%0.108CC..EExtended strand (participates in β ladder)trans-95.6108.6168.5177.760.4000109.3I6 T34 A36 A78 W82 F86 L88 L89 L90 F105L4-I6 HydrophobicContact CD1-CG1 4.4Å; L4-I6 HydrophobicContact CD2-CD1 3.92Å; L4-I6 HydrophobicContact CD2-CG1 4.16Å; L4-I6 HydrophobicContact CG-CD1 4.13Å; L4-I6 HydrophobicContact CG-CG1 3.81Å; L4-T34 WeakPolarHBondContact CA-O 3.05Å; L4-T34 HydrophobicContact CD1-CG2 4.11Å; L4-A36 HydrophobicContact CD1-CB 4.22Å; L4-A78 HydrophobicContact CD2-CB 4.38Å; L4-W82 HydrophobicContact CD1-CE3 3.9Å; L4-W82 HydrophobicContact CD1-CZ3 3.61Å; L4-F86 HydrophobicContact CB-CB 4.26Å; L4-F86 HydrophobicContact CB-CD1 3.68Å; L4-F86 HydrophobicContact CB-CD2 3.8Å; L4-F86 HydrophobicContact CB-CE1 3.88Å; L4-F86 HydrophobicContact CB-CE2 3.98Å; L4-F86 HydrophobicContact CB-CG 3.63Å; L4-F86 HydrophobicContact CB-CZ 4.01Å; L4-F86 HydrophobicContact CD1-CE1 4.48Å; L4-F86 HydrophobicContact CD1-CE2 4.33Å; L4-F86 HydrophobicContact CD1-CZ 4.07Å; L4-F86 HydrophobicContact CD2-CD2 3.98Å; L4-F86 HydrophobicContact CD2-CE2 3.83Å; L4-F86 HydrophobicContact CD2-CZ 4.39Å; L4-F86 HydrophobicContact CG-CD2 4.44Å; L4-F86 HydrophobicContact CG-CE2 4.27Å; L4-F86 HydrophobicContact CG-CZ 4.38Å; L4-L88 PolarHBondContact N-O 3.06Å; L4-L89 HydrophobicContact CB-CD2 3.83Å; L4-L89 HydrophobicContact CD2-CD2 4.21Å; L4-L89 HydrophobicContact CG-CD2 4.49Å; L4-L89 CarbonylContact O-C 3.58Å; L4-L89 WeakPolarHBondContact O-CA 3.36Å; L4-L90 PolarHBondContact O-N 2.98Å; L4-F105 HydrophobicContact CD2-CD1 4.2Å; L4-F105 HydrophobicContact CD2-CD2 4.29Å; L4-F105 HydrophobicContact CD2-CE1 3.62Å; L4-F105 HydrophobicContact CD2-CE2 3.73Å; L4-F105 HydrophobicContact CD2-CZ 3.35Å
5A95.8Very high90.3Very high0 Ų019.7 Ų19.70%011%0.113CC..EExtended strand (participates in β ladder)trans-91114.4175.900000109.9F19 I33 T34 I35 A36 L90A5-F19 HydrophobicContact CB-CE1 4.02Å; A5-F19 HydrophobicContact CB-CZ 3.78Å; A5-I33 HydrophobicContact CB-CG2 4.13Å; A5-T34 PolarHBondContact N-O 3.34Å; A5-I35 HydrophobicContact CB-CG1 4.41Å; A5-I35 CarbonylContact O-C 3.49Å; A5-I35 WeakPolarHBondContact O-CA 3.46Å; A5-A36 PolarHBondContact O-N 3.41Å; A5-L90 CarbonylContact C-O 3.57Å; A5-L90 WeakPolarHBondContact CA-O 3.41Å; A5-L90 HydrophobicContact CB-CB 4.32Å; A5-L90 HydrophobicContact CB-CD2 4.19Å
6I93.5Very high90.4Very high1 Ų118.9 Ų18.91%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-113.7115.1-179-49.2-178000109.1L4 A36 I71 L74 L90 L91L4-I6 HydrophobicContact CD1-CG1 4.4Å; L4-I6 HydrophobicContact CD2-CD1 3.92Å; L4-I6 HydrophobicContact CD2-CG1 4.16Å; L4-I6 HydrophobicContact CG-CD1 4.13Å; L4-I6 HydrophobicContact CG-CG1 3.81Å; I6-A36 WeakPolarHBondContact CA-O 3.48Å; I6-A36 HydrophobicContact CG1-CB 4.25Å; I6-A36 HydrophobicContact CG2-CB 4.48Å; I6-I71 HydrophobicContact CG2-CD1 4.46Å; I6-I71 HydrophobicContact CG2-CG1 4.43Å; I6-L74 HydrophobicContact CG2-CD2 3.85Å; I6-L90 PolarHBondContact N-O 3.27Å; I6-L91 HydrophobicContact CB-CD1 4.37Å; I6-L91 HydrophobicContact CB-CG 4.2Å; I6-L91 HydrophobicContact CD1-CD1 4.2Å; I6-L91 HydrophobicContact CG1-CD1 4.33Å
7H90.6Very high90.5Very high0 Ų018.5 Ų18.50%011%0.105CC..EExtended strand (participates in β ladder)trans-129.6129.9179.2178.483.1000110.2D9 F10 D16 F19 A36 T37 D92 N93H7-D9 VanDerWaalsContact NE2-C 3.28Å; H7-D9 PolarHBondContact NE2-O 2.97Å; H7-F10 HydrophobicContact CB-CE2 4.07Å; H7-F10 HydrophobicContact CB-CZ 3.86Å; H7-F10 AromaticContact CD2-CD1 3.77Å; H7-F10 AromaticContact CD2-CD2 3.6Å; H7-F10 AromaticContact CD2-CE1 3.58Å; H7-F10 AromaticContact CD2-CE2 3.44Å; H7-F10 VanDerWaalsContact CD2-CE2 3.44Å; H7-F10 WeakPolarHBondContact CD2-CE2 3.28Å; H7-F10 AromaticContact CD2-CG 3.75Å; H7-F10 AromaticContact CD2-CZ 3.4Å; H7-F10 VanDerWaalsContact CD2-CZ 3.4Å; H7-F10 WeakPolarHBondContact CD2-CZ 3.42Å; H7-F10 AromaticContact CG-CZ 3.72Å; H7-F10 AromaticContact NE2-CD1 3.81Å; H7-F10 AromaticContact NE2-CE1 3.88Å; H7-F10 AromaticContact NE2-CG 3.99Å; H7-D16 IonicContact CE1-OD1 3.69Å; H7-D16 PolarHBondContact CE1-OD1 2.87Å; H7-D16 IonicContact NE2-OD1 3.82Å; H7-D16 PolarHBondContact NE2-OD1 2.85Å; H7-F19 HydrophobicContact CB-CD1 3.98Å; H7-F19 HydrophobicContact CB-CD2 4.35Å; H7-F19 HydrophobicContact CB-CE1 3.68Å; H7-F19 HydrophobicContact CB-CE2 4.05Å; H7-F19 HydrophobicContact CB-CG 4.3Å; H7-F19 HydrophobicContact CB-CZ 3.71Å; H7-F19 AromaticContact ND1-CD2 4Å; H7-F19 AromaticContact ND1-CG 3.86Å; H7-A36 PolarHBondContact N-O 3.05Å; H7-T37 WeakPolarHBondContact O-CA 3.47Å; H7-T37 WeakPolarHBondContact O-CB 3.47Å; H7-T37 PolarHBondContact O-OG1 3.43Å; H7-D92 IonicContact CE1-OD1 3.52Å; H7-D92 IonicContact CE1-OD2 3.61Å; H7-D92 PolarHBondContact CE1-OD2 3.3Å; H7-D92 VanDerWaalsContact CE1-OD2 3.28Å; H7-D92 IonicContact CG-OD1 2.67Å; H7-D92 IonicContact ND1-OD1 2.8Å; H7-D92 PolarHBondContact ND1-OD1 3.17Å; H7-D92 IonicContact ND1-OD2 2.85Å; H7-D92 PolarHBondContact ND1-OD2 3.39Å; H7-N93 PolarHBondContact CE1-ND2 3.38Å; H7-N93 VanDerWaalsContact CE1-ND2 3.26Å
8P85.3Confident90.7Very high5 Ų517.6 Ų17.63%0.03210%0.1CC..SBendtrans-66-51.9-170.721.5-30000113.9M38 I71 D92 N93P8-M38 WeakPolarHBondContact O-CB 3.36Å; P8-M38 VanDerWaalsContact O-CG 3.29Å; P8-M38 WeakPolarHBondContact O-CG 3.28Å; P8-M38 PolarHBondContact O-N 3.07Å; P8-M38 VanDerWaalsContact O-N 3.12Å; P8-I71 HydrophobicContact CB-CD1 4.15Å; P8-D92 VanDerWaalsContact CD-OD1 3.31Å; P8-D92 WeakPolarHBondContact CD-OD1 3.27Å; P8-N93 HydrophobicContact CG-CB 3.56Å
9D84.8Confident90.9Very high17 Ų1716.7 Ų16.79%0.09110%0.095CC..  trans-155.9118-172.7174.527.2000111.2H7 A11 H39 R270 Y271H7-D9 VanDerWaalsContact NE2-C 3.28Å; H7-D9 PolarHBondContact NE2-O 2.97Å; D9-A11 PolarHBondContact O-N 2.84Å; D9-H39 VanDerWaalsContact OD1-CB 3.31Å; D9-H39 WeakPolarHBondContact OD1-CB 3.37Å; D9-H39 IonicContact OD1-CG 3.83Å; D9-H39 IonicContact OD1-ND1 3.72Å; D9-H39 PolarHBondContact OD1-ND1 3.43Å; D9-R270 VanDerWaalsContact CG-NH2 3.3Å; D9-R270 IonicContact OD1-CZ 2.72Å; D9-R270 IonicContact OD1-NH2 3.4Å; D9-R270 PolarHBondContact OD1-NH2 2.91Å; D9-R270 IonicContact OD2-CZ 3.63Å; D9-R270 IonicContact OD2-NE 2.74Å; D9-R270 IonicContact OD2-NH2 3.6Å; D9-R270 PolarHBondContact OD2-NH2 2.93Å; D9-Y271 PolarHBondContact OD2-OH 2.98Å
10F88.4Confident91.1Very high0 Ų016.4 Ų16.40%09%0.092CC..  trans-76107.4170.4-68.3-81.3000110H7 D16 F19 T37 H39 C40 W44 F48 R270H7-F10 HydrophobicContact CB-CE2 4.07Å; H7-F10 HydrophobicContact CB-CZ 3.86Å; H7-F10 AromaticContact CD2-CD1 3.77Å; H7-F10 AromaticContact CD2-CD2 3.6Å; H7-F10 AromaticContact CD2-CE1 3.58Å; H7-F10 AromaticContact CD2-CE2 3.44Å; H7-F10 VanDerWaalsContact CD2-CE2 3.44Å; H7-F10 WeakPolarHBondContact CD2-CE2 3.28Å; H7-F10 AromaticContact CD2-CG 3.75Å; H7-F10 AromaticContact CD2-CZ 3.4Å; H7-F10 VanDerWaalsContact CD2-CZ 3.4Å; H7-F10 WeakPolarHBondContact CD2-CZ 3.42Å; H7-F10 AromaticContact CG-CZ 3.72Å; H7-F10 AromaticContact NE2-CD1 3.81Å; H7-F10 AromaticContact NE2-CE1 3.88Å; H7-F10 AromaticContact NE2-CG 3.99Å; F10-D16 HydrophobicContact CD1-CB 3.97Å; F10-F19 HydrophobicContact CE1-CD1 4.33Å; F10-F19 HydrophobicContact CZ-CD1 4.08Å; F10-F19 HydrophobicContact CZ-CE1 4.39Å; F10-T37 HydrophobicContact CD2-CG2 4.3Å; F10-T37 HydrophobicContact CE2-CG2 4.19Å; F10-H39 PolarHBondContact N-O 3.22Å; F10-C40 HydrophobicContact CD2-CB 4.08Å; F10-W44 HydrophobicContact CB-CB 4.27Å; F10-W44 HydrophobicContact CB-CD2 4.04Å; F10-W44 HydrophobicContact CB-CG 3.69Å; F10-W44 AromaticContact CD1-CD2 3.65Å; F10-W44 HydrophobicContact CD1-CD2 3.65Å; F10-W44 AromaticContact CD1-CE3 3.73Å; F10-W44 HydrophobicContact CD1-CE3 3.73Å; F10-W44 HydrophobicContact CD1-CG 4.05Å; F10-W44 HydrophobicContact CD1-CZ2 4.47Å; F10-W44 HydrophobicContact CD1-CZ3 4.19Å; F10-W44 HydrophobicContact CE1-CE3 4.17Å; F10-W44 HydrophobicContact CE1-CZ3 4.46Å; F10-W44 HydrophobicContact CG-CB 4.33Å; F10-W44 HydrophobicContact CG-CD2 4.08Å; F10-W44 AromaticContact CG-CG 3.98Å; F10-W44 HydrophobicContact CG-CG 3.98Å; F10-F48 HydrophobicContact CD1-CE2 4.05Å; F10-F48 HydrophobicContact CD2-CE2 4.44Å; F10-F48 AromaticContact CE1-CE2 3.39Å; F10-F48 HydrophobicContact CE1-CE2 3.39Å; F10-F48 AromaticContact CE1-CZ 3.51Å; F10-F48 HydrophobicContact CE1-CZ 3.51Å; F10-F48 AromaticContact CE2-CE2 3.79Å; F10-F48 HydrophobicContact CE2-CE2 3.79Å; F10-F48 HydrophobicContact CE2-CZ 4.28Å; F10-F48 HydrophobicContact CZ-CD2 4.36Å; F10-F48 AromaticContact CZ-CE2 3.24Å; F10-F48 HydrophobicContact CZ-CE2 3.24Å; F10-F48 AromaticContact CZ-CZ 3.35Å; F10-F48 HydrophobicContact CZ-CZ 3.35Å; F10-R270 PolarHBondContact O-NH2 3.21Å
11A85.6Confident91.4Very high5 Ų515.7 Ų15.74%0.0419%0.088CC..  trans-126.726.2-170.700000112.3D9 G13 D16 R230 L268D9-A11 PolarHBondContact O-N 2.84Å; A11-G13 PolarHBondContact O-N 2.88Å; A11-G13 VanDerWaalsContact O-N 3.15Å; A11-D16 WeakPolarHBondContact CA-OD2 3.46Å; A11-D16 PolarHBondContact N-OD2 2.76Å; A11-R230 PolarHBondContact O-NH2 3.26Å; A11-L268 HydrophobicContact CB-CD1 3.8Å
12H86.4Confident91.5Very high42 Ų4212.7 Ų12.719%0.1947%0.073CC..SBendtrans50.238.3-179.7-60.5-95.5000113.8D16 D41 Y43 W44 N266H12-D16 PolarHBondContact N-OD2 2.82Å; H12-D41 IonicContact CD2-OD2 3.87Å; H12-D41 IonicContact CE1-OD2 2.92Å; H12-D41 IonicContact NE2-OD2 2.71Å; H12-D41 PolarHBondContact NE2-OD2 3.42Å; H12-Y43 AromaticContact CE1-CD1 3.41Å; H12-Y43 VanDerWaalsContact CE1-CD1 3.41Å; H12-Y43 WeakPolarHBondContact CE1-CD1 3.17Å; H12-Y43 AromaticContact CE1-CE1 3.9Å; H12-W44 AromaticContact CD2-NE1 3.7Å; H12-W44 AromaticContact CE1-CD1 3.94Å; H12-W44 AromaticContact CE1-NE1 3.46Å; H12-W44 PolarHBondContact CE1-NE1 2.97Å; H12-W44 AromaticContact CG-NE1 3.72Å; H12-W44 AromaticContact ND1-NE1 3.56Å; H12-W44 AromaticContact NE2-CD1 3.83Å; H12-W44 AromaticContact NE2-NE1 3.52Å; H12-N266 HydrophobicContact CB-CB 4.42Å; H12-N266 WeakPolarHBondContact CB-ND2 3.38Å
13G85Confident91.5Very high7 Ų78 Ų87%0.0726%0.056CC..SBendtrans-99.5165.7173.900000113.3A11 G15 D16 F17A11-G13 PolarHBondContact O-N 2.88Å; A11-G13 VanDerWaalsContact O-N 3.15Å; G13-G15 PolarHBondContact O-N 3.16Å; G13-D16 PolarHBondContact N-OD2 2.83Å; G13-D16 WeakPolarHBondContact O-CB 3.41Å; G13-D16 PolarHBondContact O-N 2.99Å; G13-F17 WeakPolarHBondContact O-CD2 3.34Å; G13-F17 PolarHBondContact O-N 2.92Å
14G86.8Confident91.4Very high38 Ų389.2 Ų9.239%0.3926%0.061SC..Hα-helixtrans-59.9-30.9176.900000114.2D16 N18 L326G14-D16 VanDerWaalsContact C-N 3.29Å; G14-D16 PolarHBondContact O-N 3.25Å; G14-N18 WeakPolarHBondContact O-CB 3.45Å; G14-N18 PolarHBondContact O-N 3.34Å; G14-L326 WeakPolarHBondContact O-CD1 3.28Å
15G88.1Confident91.4Very high18 Ų189.2 Ų9.219%0.1866%0.061CC..Hα-helixtrans-61.1-39.5173.500000112.4G13 N18 F19G13-G15 PolarHBondContact O-N 3.16Å; G15-N18 PolarHBondContact O-N 3.38Å; G15-F19 WeakPolarHBondContact O-CB 3.44Å; G15-F19 PolarHBondContact O-N 3.33Å
16D91.2Very high91.4Very high7 Ų79.2 Ų9.24%0.0376%0.061CC..Hα-helixtrans-69.3-44.5-177.5-46.8-13.6000111.1H7 F10 A11 H12 G13 G14 F19 Y20 W44H7-D16 IonicContact CE1-OD1 3.69Å; H7-D16 PolarHBondContact CE1-OD1 2.87Å; H7-D16 IonicContact NE2-OD1 3.82Å; H7-D16 PolarHBondContact NE2-OD1 2.85Å; F10-D16 HydrophobicContact CD1-CB 3.97Å; A11-D16 WeakPolarHBondContact CA-OD2 3.46Å; A11-D16 PolarHBondContact N-OD2 2.76Å; H12-D16 PolarHBondContact N-OD2 2.82Å; G13-D16 PolarHBondContact N-OD2 2.83Å; G13-D16 WeakPolarHBondContact O-CB 3.41Å; G13-D16 PolarHBondContact O-N 2.99Å; G14-D16 VanDerWaalsContact C-N 3.29Å; G14-D16 PolarHBondContact O-N 3.25Å; D16-F19 PolarHBondContact O-N 3.1Å; D16-Y20 WeakPolarHBondContact O-CB 3.47Å; D16-Y20 PolarHBondContact O-N 3.01Å; D16-W44 HydrophobicContact CB-CH2 3.8Å; D16-W44 HydrophobicContact CB-CZ2 3.7Å
17F92.9Very high91.6Very high13 Ų1312.6 Ų12.66%0.0578%0.077CC..Hα-helixtrans-61.8-45.2173.8-67.7-80.5000111.1G13 F19 Y20 D21 W44 P201 L203 L326G13-F17 WeakPolarHBondContact O-CD2 3.34Å; G13-F17 PolarHBondContact O-N 2.92Å; F17-F19 VanDerWaalsContact C-N 3.35Å; F17-F19 PolarHBondContact O-N 2.95Å; F17-Y20 PolarHBondContact O-N 2.76Å; F17-D21 PolarHBondContact O-N 2.8Å; F17-W44 AromaticContact CD1-CH2 3.82Å; F17-W44 HydrophobicContact CD1-CH2 3.82Å; F17-W44 HydrophobicContact CD2-CH2 4.44Å; F17-W44 HydrophobicContact CE1-CH2 4.04Å; F17-W44 HydrophobicContact CE1-CZ2 4.35Å; F17-W44 HydrophobicContact CE2-CZ2 4.47Å; F17-W44 HydrophobicContact CG-CH2 4.03Å; F17-W44 HydrophobicContact CZ-CH2 4.42Å; F17-W44 HydrophobicContact CZ-CZ2 4.32Å; F17-P201 HydrophobicContact CB-CB 4.34Å; F17-P201 HydrophobicContact CB-CG 4.27Å; F17-P201 HydrophobicContact CD1-CB 4.3Å; F17-L203 HydrophobicContact CD1-CD1 3.85Å; F17-L203 HydrophobicContact CE1-CD1 3.78Å; F17-L326 HydrophobicContact CB-CD1 4.16Å
18N93.5Very high91.8Very high2 Ų217.3 Ų17.31%0.01110%0.099CC..Hα-helixtrans-61.6-42.8176.4-175.961.3000111.9G14 G15 Y20 D21 V22 F114 P198G14-N18 WeakPolarHBondContact O-CB 3.45Å; G14-N18 PolarHBondContact O-N 3.34Å; G15-N18 PolarHBondContact O-N 3.38Å; N18-Y20 VanDerWaalsContact C-N 3.33Å; N18-Y20 PolarHBondContact O-N 3.03Å; N18-D21 PolarHBondContact O-N 3.05Å; N18-V22 VanDerWaalsContact O-CG2 3.25Å; N18-V22 WeakPolarHBondContact O-CG2 3.44Å; N18-V22 PolarHBondContact O-N 2.95Å; N18-F114 HydrophobicContact CB-CE1 3.99Å; N18-F114 HydrophobicContact CB-CZ 4.12Å; N18-F114 WeakPolarHBondContact ND2-CE1 3.48Å; N18-F114 WeakPolarHBondContact ND2-CZ 3.49Å; N18-P198 HydrophobicContact CB-CB 4.49Å; N18-P198 WeakPolarHBondContact OD1-CA 3.41Å; N18-P198 WeakPolarHBondContact OD1-CB 3.49Å
19F94.3Very high92.3Very high0 Ų018.8 Ų18.80%011%0.105CC..Hα-helixtrans-60.3-44.7176.8-171.5-88.9000111.5A5 H7 F10 G15 D16 F17 V22 A23 L90 D92 L112A5-F19 HydrophobicContact CB-CE1 4.02Å; A5-F19 HydrophobicContact CB-CZ 3.78Å; H7-F19 HydrophobicContact CB-CD1 3.98Å; H7-F19 HydrophobicContact CB-CD2 4.35Å; H7-F19 HydrophobicContact CB-CE1 3.68Å; H7-F19 HydrophobicContact CB-CE2 4.05Å; H7-F19 HydrophobicContact CB-CG 4.3Å; H7-F19 HydrophobicContact CB-CZ 3.71Å; H7-F19 AromaticContact ND1-CD2 4Å; H7-F19 AromaticContact ND1-CG 3.86Å; F10-F19 HydrophobicContact CE1-CD1 4.33Å; F10-F19 HydrophobicContact CZ-CD1 4.08Å; F10-F19 HydrophobicContact CZ-CE1 4.39Å; G15-F19 WeakPolarHBondContact O-CB 3.44Å; G15-F19 PolarHBondContact O-N 3.33Å; D16-F19 PolarHBondContact O-N 3.1Å; F17-F19 VanDerWaalsContact C-N 3.35Å; F17-F19 PolarHBondContact O-N 2.95Å; F19-V22 PolarHBondContact O-N 3.34Å; F19-A23 WeakPolarHBondContact O-CB 3.35Å; F19-A23 PolarHBondContact O-N 3.17Å; F19-L90 HydrophobicContact CE2-CD2 4.14Å; F19-L90 HydrophobicContact CE2-CG 3.85Å; F19-L90 HydrophobicContact CZ-CD2 4.1Å; F19-L90 HydrophobicContact CZ-CG 4.08Å; F19-D92 HydrophobicContact CD2-CB 3.76Å; F19-D92 VanDerWaalsContact CD2-OD2 3.32Å; F19-D92 WeakPolarHBondContact CD2-OD2 3.39Å; F19-D92 HydrophobicContact CE2-CB 4.08Å; F19-L112 HydrophobicContact CD2-CD1 4.09Å
20Y95.6Very high92.8Very high11 Ų1126.4 Ų26.44%0.04314%0.14CC..Hα-helixtrans-61.3-47.7175.2170.7-100.7000112.3D16 F17 N18 V22 A23 K24 W44 L47 F48 I51 L203D16-Y20 WeakPolarHBondContact O-CB 3.47Å; D16-Y20 PolarHBondContact O-N 3.01Å; F17-Y20 PolarHBondContact O-N 2.76Å; N18-Y20 VanDerWaalsContact C-N 3.33Å; N18-Y20 PolarHBondContact O-N 3.03Å; Y20-V22 VanDerWaalsContact C-N 3.3Å; Y20-V22 PolarHBondContact O-N 3.34Å; Y20-A23 PolarHBondContact O-N 3.41Å; Y20-K24 HydrophobicContact CE1-CD 4Å; Y20-K24 VanDerWaalsContact O-CB 3.29Å; Y20-K24 WeakPolarHBondContact O-CB 3.38Å; Y20-K24 PolarHBondContact O-N 3.27Å; Y20-W44 HydrophobicContact CG-CZ3 4.26Å; Y20-L47 HydrophobicContact CD2-CB 4.28Å; Y20-L47 HydrophobicContact CE2-CB 3.67Å; Y20-F48 HydrophobicContact CD2-CD1 4Å; Y20-F48 AromaticContact CD2-CE1 3.61Å; Y20-F48 HydrophobicContact CD2-CE1 3.61Å; Y20-F48 HydrophobicContact CD2-CE2 4.39Å; Y20-F48 AromaticContact CD2-CZ 3.81Å; Y20-F48 HydrophobicContact CD2-CZ 3.81Å; Y20-F48 HydrophobicContact CE2-CD1 4.4Å; Y20-F48 HydrophobicContact CE2-CE1 4.42Å; Y20-F48 HydrophobicContact CG-CZ 4.45Å; Y20-I51 HydrophobicContact CD2-CD1 4.12Å; Y20-I51 HydrophobicContact CE2-CD1 3.74Å; Y20-L203 HydrophobicContact CE1-CD1 4.46Å; Y20-L203 HydrophobicContact CE1-CD2 3.87Å; Y20-L203 HydrophobicContact CE1-CG 4.2Å
21D96.6Very high93.1Very high1 Ų127.8 Ų27.81%0.00515%0.147CC..Hα-helixtrans-64.6-34.6-179.4-73-44.8000112.1F17 N18 A25 P201 T202 H397 L400F17-D21 PolarHBondContact O-N 2.8Å; N18-D21 PolarHBondContact O-N 3.05Å; D21-A25 WeakPolarHBondContact O-CB 3.31Å; D21-A25 PolarHBondContact O-N 2.82Å; D21-P201 WeakPolarHBondContact OD2-CA 3.27Å; D21-T202 VanDerWaalsContact OD1-CB 3.28Å; D21-T202 WeakPolarHBondContact OD1-CB 3.45Å; D21-T202 WeakPolarHBondContact OD1-CG2 3.38Å; D21-T202 PolarHBondContact OD1-N 3Å; D21-T202 PolarHBondContact OD1-OG1 3.23Å; D21-T202 PolarHBondContact OD2-N 2.66Å; D21-H397 PolarHBondContact O-CE1 2.91Å; D21-L400 HydrophobicContact CB-CD2 4.1Å
22V95.8Very high93.7Very high0 Ų032.6 Ų32.60%017%0.168CC..Hα-helixtrans-67-47.1172.4174.70000111.3N18 F19 Y20 K24 A25 M26 L90 L112 F196 L400N18-V22 VanDerWaalsContact O-CG2 3.25Å; N18-V22 WeakPolarHBondContact O-CG2 3.44Å; N18-V22 PolarHBondContact O-N 2.95Å; F19-V22 PolarHBondContact O-N 3.34Å; Y20-V22 VanDerWaalsContact C-N 3.3Å; Y20-V22 PolarHBondContact O-N 3.34Å; V22-K24 VanDerWaalsContact C-N 3.3Å; V22-K24 PolarHBondContact O-N 3.48Å; V22-A25 PolarHBondContact O-N 3.21Å; V22-M26 HydrophobicContact CG1-CE 4.1Å; V22-M26 WeakPolarHBondContact O-CG 3.24Å; V22-M26 PolarHBondContact O-N 3.17Å; V22-L90 HydrophobicContact CG1-CD1 4.28Å; V22-L90 HydrophobicContact CG1-CD2 4.12Å; V22-L112 HydrophobicContact CB-CD1 4.13Å; V22-L112 HydrophobicContact CG1-CD1 4.17Å; V22-L112 HydrophobicContact CG2-CD1 4.01Å; V22-L112 HydrophobicContact CG2-CD2 4.28Å; V22-F196 HydrophobicContact CG2-CE1 3.6Å; V22-F196 HydrophobicContact CG2-CZ 4.06Å; V22-L400 HydrophobicContact CG2-CD2 4.18Å
23A96.2Very high94.2Very high0 Ų030.6 Ų30.60%016%0.159CC..Hα-helixtrans-61.2-39.8176.600000111.8F19 Y20 M26 H27 F48 I51 L90F19-A23 WeakPolarHBondContact O-CB 3.35Å; F19-A23 PolarHBondContact O-N 3.17Å; Y20-A23 PolarHBondContact O-N 3.41Å; A23-M26 PolarHBondContact O-N 3.01Å; A23-H27 WeakPolarHBondContact O-CB 3.29Å; A23-H27 PolarHBondContact O-N 2.96Å; A23-F48 HydrophobicContact CB-CE1 4.46Å; A23-I51 HydrophobicContact CB-CD1 4.44Å; A23-L90 HydrophobicContact CB-CD2 4.48Å
24K96.6Very high94.8Very high26 Ų2630.5 Ų30.511%0.11316%0.157CC..Hα-helixtrans-63.4-44.8174.2-179.6175.5178.3-71.70111.6Y20 V22 M26 H27 E28 I51 T202Y20-K24 HydrophobicContact CE1-CD 4Å; Y20-K24 VanDerWaalsContact O-CB 3.29Å; Y20-K24 WeakPolarHBondContact O-CB 3.38Å; Y20-K24 PolarHBondContact O-N 3.27Å; V22-K24 VanDerWaalsContact C-N 3.3Å; V22-K24 PolarHBondContact O-N 3.48Å; K24-M26 VanDerWaalsContact C-N 3.32Å; K24-M26 PolarHBondContact O-N 3.33Å; K24-H27 WeakPolarHBondContact O-CB 3.27Å; K24-H27 PolarHBondContact O-N 3.22Å; K24-E28 WeakPolarHBondContact CE-OE1 3.21Å; K24-E28 IonicContact NZ-OE1 3Å; K24-E28 PolarHBondContact NZ-OE1 3.06Å; K24-E28 WeakPolarHBondContact O-CG 3.49Å; K24-E28 PolarHBondContact O-N 3.19Å; K24-I51 HydrophobicContact CB-CD1 4.29Å; K24-T202 HydrophobicContact CD-CG2 4.38Å
25A96.9Very high95.3Very high0 Ų028.9 Ų28.90%014%0.139CC..Hα-helixtrans-62-38.8175.600000112.2D21 V22 Q29 S401 L404D21-A25 WeakPolarHBondContact O-CB 3.31Å; D21-A25 PolarHBondContact O-N 2.82Å; V22-A25 PolarHBondContact O-N 3.21Å; A25-Q29 VanDerWaalsContact O-CG 3.24Å; A25-Q29 WeakPolarHBondContact O-CG 3.35Å; A25-Q29 PolarHBondContact O-N 3.24Å; A25-S401 WeakPolarHBondContact CB-OG 3.37Å; A25-L404 HydrophobicContact CB-CD2 3.78Å
26M95.9Very high95.6Very high0 Ų028 Ų280%013%0.131CC..Hα-helixtrans-65.1-42.8173.7-70.2-179171.300111.8I3 V22 A23 K24 Q29 H31 I33 L88 L90 L404I3-M26 HydrophobicContact CD1-CB 4.12Å; I3-M26 HydrophobicContact CD1-CG 4.13Å; I3-M26 HydrophobicContact CD1-SD 3.51Å; I3-M26 VanDerWaalsContact CD1-SD 3.51Å; I3-M26 HydrophobicContact CG2-SD 4.14Å; V22-M26 HydrophobicContact CG1-CE 4.1Å; V22-M26 WeakPolarHBondContact O-CG 3.24Å; V22-M26 PolarHBondContact O-N 3.17Å; A23-M26 PolarHBondContact O-N 3.01Å; K24-M26 VanDerWaalsContact C-N 3.32Å; K24-M26 PolarHBondContact O-N 3.33Å; M26-Q29 CarbonylContact O-C 3.59Å; M26-Q29 PolarHBondContact O-N 3.44Å; M26-Q29 VanDerWaalsContact O-N 3.15Å; M26-H31 HydrophobicContact CB-CB 4.39Å; M26-H31 VanDerWaalsContact O-CB 3.25Å; M26-H31 WeakPolarHBondContact O-CB 3.27Å; M26-H31 PolarHBondContact O-N 2.85Å; M26-H31 VanDerWaalsContact O-N 3.13Å; M26-I33 HydrophobicContact CB-CD1 3.71Å; M26-L88 HydrophobicContact CE-CD2 4.2Å; M26-L90 HydrophobicContact CE-CD1 4.35Å; M26-L90 HydrophobicContact CE-CD2 4.34Å; M26-L90 HydrophobicContact SD-CD2 3.95Å; M26-L404 HydrophobicContact CE-CD1 3.89Å; M26-L404 HydrophobicContact CE-CD2 4.48Å; M26-L404 HydrophobicContact CG-CD2 3.63Å
27H96.6Very high95.6Very high73 Ų7327.8 Ų27.834%0.33813%0.129SC..Hα-helixtrans-61.6-44.5176.2174.572.7000112.3A23 K24 Q29 E30 I33 I51A23-H27 WeakPolarHBondContact O-CB 3.29Å; A23-H27 PolarHBondContact O-N 2.96Å; K24-H27 WeakPolarHBondContact O-CB 3.27Å; K24-H27 PolarHBondContact O-N 3.22Å; H27-Q29 PolarHBondContact O-N 3.17Å; H27-E30 WeakPolarHBondContact O-CA 3.34Å; H27-E30 PolarHBondContact O-N 3.46Å; H27-I33 HydrophobicContact CB-CG1 4.03Å; H27-I51 HydrophobicContact CB-CB 4.12Å; H27-I51 HydrophobicContact CB-CG2 4.48Å; H27-I51 PolarHBondContact ND1-O 3.33Å
28E96.1Very high95.4Very high99 Ų9927.2 Ų27.246%0.46313%0.127SC..Hα-helixtrans-64-19.4175.6-72.2170175.700113.1K24 H397K24-E28 WeakPolarHBondContact CE-OE1 3.21Å; K24-E28 IonicContact NZ-OE1 3Å; K24-E28 PolarHBondContact NZ-OE1 3.06Å; K24-E28 WeakPolarHBondContact O-CG 3.49Å; K24-E28 PolarHBondContact O-N 3.19Å; E28-H397 IonicContact OE1-NE2 3.94Å; E28-H397 IonicContact OE2-CD2 3.67Å; E28-H397 PolarHBondContact OE2-CD2 2.92Å; E28-H397 IonicContact OE2-CE1 3.89Å; E28-H397 IonicContact OE2-NE2 3.14Å; E28-H397 PolarHBondContact OE2-NE2 3.35Å
29Q94.7Very high95.1Very high35 Ų3530 Ų3016%0.16414%0.14CC..THydrogen-bonded Turntrans-9223.6171.1-66.1172.127.900112.3A25 M26 H27 H31 S401 R405A25-Q29 VanDerWaalsContact O-CG 3.24Å; A25-Q29 WeakPolarHBondContact O-CG 3.35Å; A25-Q29 PolarHBondContact O-N 3.24Å; M26-Q29 CarbonylContact O-C 3.59Å; M26-Q29 PolarHBondContact O-N 3.44Å; M26-Q29 VanDerWaalsContact O-N 3.15Å; H27-Q29 PolarHBondContact O-N 3.17Å; Q29-H31 VanDerWaalsContact C-N 3.25Å; Q29-H31 PolarHBondContact O-CE1 2.93Å; Q29-H31 PolarHBondContact O-N 2.88Å; Q29-H31 PolarHBondContact O-ND1 3.39Å; Q29-S401 PolarHBondContact NE2-O 2.86Å; Q29-R405 VanDerWaalsContact CD-CG 3.41Å; Q29-R405 HydrophobicContact CG-CG 4.32Å; Q29-R405 VanDerWaalsContact OE1-CG 3.23Å
30E95.3Very high94.8Very high178 Ų17830.9 Ų30.983%0.83215%0.145SC*.THydrogen-bonded Turntrans61.230.3175.8-51.8-177153.500113.4H27H27-E30 WeakPolarHBondContact O-CA 3.34Å; H27-E30 PolarHBondContact O-N 3.46Å
31H95.5Very high94.6Very high28 Ų2832.6 Ų32.613%0.1316%0.155CC..PPolyproline II helixtrans-91.4140.8170.2-57.4-18.5000111.3M1 I3 M26 Q29 I33M1-H31 WeakPolarHBondContact CE-NE2 3.48Å; M1-H31 PolarHBondContact N-ND1 2.98Å; M1-H31 WeakPolarHBondContact O-CA 3.4Å; I3-H31 HydrophobicContact CD1-CB 3.62Å; I3-H31 HydrophobicContact CG1-CB 4.2Å; M26-H31 HydrophobicContact CB-CB 4.39Å; M26-H31 VanDerWaalsContact O-CB 3.25Å; M26-H31 WeakPolarHBondContact O-CB 3.27Å; M26-H31 PolarHBondContact O-N 2.85Å; M26-H31 VanDerWaalsContact O-N 3.13Å; Q29-H31 VanDerWaalsContact C-N 3.25Å; Q29-H31 PolarHBondContact O-CE1 2.93Å; Q29-H31 PolarHBondContact O-N 2.88Å; Q29-H31 PolarHBondContact O-ND1 3.39Å; H31-I33 HydrophobicContact CB-CD1 4.25Å; H31-I33 PolarHBondContact O-N 2.79Å
32E97.2Very high94.3Very high107 Ų10741 Ų4150%0.520%0.195SC..EExtended strand (participates in β ladder)trans-81.9117.2175.1-68.2177.6-158.200109.2M1 R2 I3 T53M1-E32 PolarHBondContact O-N 2.74Å; R2-E32 HydrophobicContact CG-CB 4.39Å; I3-E32 PolarHBondContact N-O 2.78Å; E32-T53 HydrophobicContact CB-CG2 4.14Å; E32-T53 HydrophobicContact CG-CG2 4.34Å
33I97.6Very high94.1Very high0 Ų044.5 Ų44.50%021%0.208CC..EExtended strand (participates in β ladder)trans-100.4122.2-178.3-50.8-53.8000110I3 A5 M26 H27 H31 I35 A52 T53I3-I33 HydrophobicContact CB-CD1 3.93Å; I3-I33 HydrophobicContact CD1-CD1 4.05Å; I3-I33 HydrophobicContact CG1-CD1 4.35Å; I3-I33 HydrophobicContact CG2-CD1 4.42Å; A5-I33 HydrophobicContact CB-CG2 4.13Å; M26-I33 HydrophobicContact CB-CD1 3.71Å; H27-I33 HydrophobicContact CB-CG1 4.03Å; H31-I33 HydrophobicContact CB-CD1 4.25Å; H31-I33 PolarHBondContact O-N 2.79Å; I33-I35 HydrophobicContact CG2-CD1 4.41Å; I33-I35 HydrophobicContact CG2-CG1 3.95Å; I33-A52 CarbonylContact O-C 3.57Å; I33-A52 VanDerWaalsContact O-CA 3.28Å; I33-A52 WeakPolarHBondContact O-CA 3.31Å; I33-T53 PolarHBondContact O-N 2.9Å; I33-T53 PolarHBondContact O-OG1 2.97Å; I33-T53 VanDerWaalsContact O-OG1 3.11Å
34T97.8Very high94Very high4 Ų444.5 Ų44.53%0.02521%0.208CC..EExtended strand (participates in β ladder)trans-111.9135.3168.6-61.20000109I3 L4 A5 T53 D54 W82 F86I3-T34 PolarHBondContact O-N 3.38Å; L4-T34 WeakPolarHBondContact CA-O 3.05Å; L4-T34 HydrophobicContact CD1-CG2 4.11Å; A5-T34 PolarHBondContact N-O 3.34Å; T34-T53 PolarHBondContact OG1-OG1 3.33Å; T34-D54 WeakPolarHBondContact CA-O 3.23Å; T34-D54 HydrophobicContact CG2-CB 4.31Å; T34-W82 HydrophobicContact CG2-CD2 3.78Å; T34-W82 VanDerWaalsContact CG2-CE2 3.48Å; T34-W82 HydrophobicContact CG2-CE3 3.8Å; T34-W82 HydrophobicContact CG2-CH2 3.31Å; T34-W82 HydrophobicContact CG2-CZ2 3.26Å; T34-W82 HydrophobicContact CG2-CZ3 3.59Å; T34-F86 HydrophobicContact CG2-CE1 4.13Å; T34-F86 HydrophobicContact CG2-CZ 4.02Å
35I96.3Very high93.8Very high5 Ų544.2 Ų44.23%0.02621%0.208CC..EExtended strand (participates in β ladder)trans-114.2133.1-170.3-58.5-178.6000112A5 I33 F48 A52 D54 Y55 I56 W82A5-I35 HydrophobicContact CB-CG1 4.41Å; A5-I35 CarbonylContact O-C 3.49Å; A5-I35 WeakPolarHBondContact O-CA 3.46Å; I33-I35 HydrophobicContact CG2-CD1 4.41Å; I33-I35 HydrophobicContact CG2-CG1 3.95Å; I35-F48 HydrophobicContact CD1-CB 3.79Å; I35-F48 HydrophobicContact CD1-CD1 3.02Å; I35-F48 HydrophobicContact CD1-CD2 4.31Å; I35-F48 HydrophobicContact CD1-CE1 3.54Å; I35-F48 HydrophobicContact CD1-CG 3.46Å; I35-F48 VanDerWaalsContact CD1-CG 3.46Å; I35-F48 HydrophobicContact CD1-CZ 4.39Å; I35-F48 HydrophobicContact CG1-CD1 4.48Å; I35-A52 HydrophobicContact CD1-CB 3.65Å; I35-A52 HydrophobicContact CG1-CB 3.95Å; I35-D54 PolarHBondContact N-O 3.19Å; I35-Y55 CarbonylContact O-C 3.52Å; I35-Y55 WeakPolarHBondContact O-CA 3.49Å; I35-I56 PolarHBondContact O-N 3.1Å; I35-W82 WeakPolarHBondContact O-CH2 3.47Å
36A94.4Very high93.7Very high0 Ų047.3 Ų47.30%023%0.229CC..EExtended strand (participates in β ladder)trans-121.9125.8169.200000109.8L4 A5 I6 H7 I56 L74 A78 W82L4-A36 HydrophobicContact CD1-CB 4.22Å; A5-A36 PolarHBondContact O-N 3.41Å; I6-A36 WeakPolarHBondContact CA-O 3.48Å; I6-A36 HydrophobicContact CG1-CB 4.25Å; I6-A36 HydrophobicContact CG2-CB 4.48Å; H7-A36 PolarHBondContact N-O 3.05Å; A36-I56 HydrophobicContact CB-CG2 3.8Å; A36-L74 HydrophobicContact CB-CD1 3.87Å; A36-L74 HydrophobicContact CB-CD2 4.21Å; A36-L74 HydrophobicContact CB-CG 3.98Å; A36-A78 HydrophobicContact CB-CB 4.2Å; A36-W82 HydrophobicContact CB-CZ3 4.31Å
37T92.5Very high93.6Very high2 Ų248.4 Ų48.41%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-146.6161177.1-171.10000112.7H7 F10 H39 C40 I56 I57 V58 L74H7-T37 WeakPolarHBondContact O-CA 3.47Å; H7-T37 WeakPolarHBondContact O-CB 3.47Å; H7-T37 PolarHBondContact O-OG1 3.43Å; F10-T37 HydrophobicContact CD2-CG2 4.3Å; F10-T37 HydrophobicContact CE2-CG2 4.19Å; T37-H39 PolarHBondContact OG1-O 3.13Å; T37-C40 HydrophobicContact CG2-CB 3.72Å; T37-I56 PolarHBondContact N-O 3.16Å; T37-I57 HydrophobicContact CG2-CG1 4.1Å; T37-I57 VanDerWaalsContact O-CA 3.31Å; T37-I57 WeakPolarHBondContact O-CA 3.41Å; T37-V58 PolarHBondContact O-N 3.4Å; T37-L74 WeakPolarHBondContact O-CD1 3.46Å
38M88Confident93.5Very high1 Ų145.2 Ų45.21%0.00522%0.22CC..SBendtrans-87.3-31.7175.2-55.5-68.4-60.900112.2P8 V58 E59 P70 L74P8-M38 WeakPolarHBondContact O-CB 3.36Å; P8-M38 VanDerWaalsContact O-CG 3.29Å; P8-M38 WeakPolarHBondContact O-CG 3.28Å; P8-M38 PolarHBondContact O-N 3.07Å; P8-M38 VanDerWaalsContact O-N 3.12Å; M38-V58 WeakPolarHBondContact CA-O 2.91Å; M38-V58 HydrophobicContact CE-CB 4.5Å; M38-V58 HydrophobicContact CE-CG1 4.31Å; M38-V58 WeakPolarHBondContact CE-O 3.37Å; M38-V58 CarbonylContact O-C 3.53Å; M38-V58 VanDerWaalsContact O-O 3.05Å; M38-V58 HydrophobicContact SD-CB 4.12Å; M38-V58 HydrophobicContact SD-CG1 4.41Å; M38-E59 VanDerWaalsContact O-CA 3.3Å; M38-E59 WeakPolarHBondContact O-CA 3.39Å; M38-E59 PolarHBondContact O-N 2.95Å; M38-P70 HydrophobicContact CE-CB 3.27Å; M38-P70 HydrophobicContact CG-CB 4.45Å; M38-P70 VanDerWaalsContact SD-C 3.58Å; M38-P70 HydrophobicContact SD-CB 4.15Å; M38-L74 HydrophobicContact CG-CD2 4.21Å; M38-L74 HydrophobicContact SD-CB 3.61Å; M38-L74 HydrophobicContact SD-CD1 4.47Å; M38-L74 HydrophobicContact SD-CD2 4.09Å; M38-L74 HydrophobicContact SD-CG 4.28Å
39H86.9Confident93.3Very high61 Ų6146.9 Ų46.928%0.28223%0.226SC..  trans-152.1126.7-174.8176.8-79.4000109.7D9 F10 T37 R270D9-H39 VanDerWaalsContact OD1-CB 3.31Å; D9-H39 WeakPolarHBondContact OD1-CB 3.37Å; D9-H39 IonicContact OD1-CG 3.83Å; D9-H39 IonicContact OD1-ND1 3.72Å; D9-H39 PolarHBondContact OD1-ND1 3.43Å; F10-H39 PolarHBondContact N-O 3.22Å; T37-H39 PolarHBondContact OG1-O 3.13Å; H39-R270 PolarHBondContact CE1-NH1 2.74Å
40C89.2Confident93.4Very high17 Ų1749.8 Ų49.812%0.11525%0.248CC..  trans-150.4116.1-179.2-168.50000107.3F10 T37 W44 M45 I57F10-C40 HydrophobicContact CD2-CB 4.08Å; T37-C40 HydrophobicContact CG2-CB 3.72Å; C40-W44 WeakPolarHBondContact SG-CB 3.32Å; C40-M45 HydrophobicContact CB-CG 4.23Å; C40-M45 HydrophobicContact CB-SD 4.01Å; C40-M45 PolarHBondContact SG-SD 3.44Å; C40-I57 HydrophobicContact CB-CD1 4.15Å
41D89.7Confident93.4Very high48 Ų4842 Ų4226%0.25721%0.211SC..  trans-78.7176.7178.963.824.5000111.7H12 Y43 W44 M45H12-D41 IonicContact CD2-OD2 3.87Å; H12-D41 IonicContact CE1-OD2 2.92Å; H12-D41 IonicContact NE2-OD2 2.71Å; H12-D41 PolarHBondContact NE2-OD2 3.42Å; D41-Y43 PolarHBondContact O-N 3.3Å; D41-Y43 WeakPolarHBondContact OD1-CB 3.34Å; D41-Y43 PolarHBondContact OD1-N 3.08Å; D41-Y43 VanDerWaalsContact OD1-N 3.12Å; D41-W44 PolarHBondContact O-N 2.85Å; D41-W44 PolarHBondContact OD1-N 3.45Å; D41-M45 WeakPolarHBondContact O-CB 3.39Å; D41-M45 VanDerWaalsContact O-CG 3.31Å; D41-M45 WeakPolarHBondContact O-CG 3.5Å; D41-M45 PolarHBondContact O-N 3.5Å
42E91.6Very high93.4Very high178 Ų17841.5 Ų41.583%0.83221%0.212SC*.Hα-helixtrans-59.9-32.7-179.3-65.7-172.3164.100113.1S46E42-S46 WeakPolarHBondContact O-CB 3.44Å; E42-S46 PolarHBondContact O-N 3.33Å
43Y91.7Very high93.3Very high73 Ų7340.4 Ų40.429%0.28621%0.213SC..Hα-helixtrans-64.2-55.2177.5168.9-98.2000110.5H12 D41 M45 S46 L47 L203 E302H12-Y43 AromaticContact CE1-CD1 3.41Å; H12-Y43 VanDerWaalsContact CE1-CD1 3.41Å; H12-Y43 WeakPolarHBondContact CE1-CD1 3.17Å; H12-Y43 AromaticContact CE1-CE1 3.9Å; D41-Y43 PolarHBondContact O-N 3.3Å; D41-Y43 WeakPolarHBondContact OD1-CB 3.34Å; D41-Y43 PolarHBondContact OD1-N 3.08Å; D41-Y43 VanDerWaalsContact OD1-N 3.12Å; Y43-M45 VanDerWaalsContact C-N 3.3Å; Y43-M45 PolarHBondContact O-N 2.8Å; Y43-S46 WeakPolarHBondContact O-CB 3.42Å; Y43-S46 PolarHBondContact O-N 3.22Å; Y43-S46 VanDerWaalsContact O-N 3.11Å; Y43-S46 PolarHBondContact O-OG 2.87Å; Y43-L47 HydrophobicContact CD1-CD1 4.35Å; Y43-L47 HydrophobicContact CE1-CD1 3.78Å; Y43-L47 HydrophobicContact CE2-CD1 4.5Å; Y43-L47 PolarHBondContact O-N 2.7Å; Y43-L203 WeakPolarHBondContact OH-CD1 3.48Å; Y43-E302 VanDerWaalsContact OH-CG 3.28Å; Y43-E302 WeakPolarHBondContact OH-CG 3.46Å
44W93.2Very high93.3Very high0 Ų042.6 Ų42.60%023%0.225CC..Hα-helixtrans-62.7-38.7177.9-74.7104000111.8F10 H12 D16 F17 Y20 C40 D41 S46 L47 F48F10-W44 HydrophobicContact CB-CB 4.27Å; F10-W44 HydrophobicContact CB-CD2 4.04Å; F10-W44 HydrophobicContact CB-CG 3.69Å; F10-W44 AromaticContact CD1-CD2 3.65Å; F10-W44 HydrophobicContact CD1-CD2 3.65Å; F10-W44 AromaticContact CD1-CE3 3.73Å; F10-W44 HydrophobicContact CD1-CE3 3.73Å; F10-W44 HydrophobicContact CD1-CG 4.05Å; F10-W44 HydrophobicContact CD1-CZ2 4.47Å; F10-W44 HydrophobicContact CD1-CZ3 4.19Å; F10-W44 HydrophobicContact CE1-CE3 4.17Å; F10-W44 HydrophobicContact CE1-CZ3 4.46Å; F10-W44 HydrophobicContact CG-CB 4.33Å; F10-W44 HydrophobicContact CG-CD2 4.08Å; F10-W44 AromaticContact CG-CG 3.98Å; F10-W44 HydrophobicContact CG-CG 3.98Å; H12-W44 AromaticContact CD2-NE1 3.7Å; H12-W44 AromaticContact CE1-CD1 3.94Å; H12-W44 AromaticContact CE1-NE1 3.46Å; H12-W44 PolarHBondContact CE1-NE1 2.97Å; H12-W44 AromaticContact CG-NE1 3.72Å; H12-W44 AromaticContact ND1-NE1 3.56Å; H12-W44 AromaticContact NE2-CD1 3.83Å; H12-W44 AromaticContact NE2-NE1 3.52Å; D16-W44 HydrophobicContact CB-CH2 3.8Å; D16-W44 HydrophobicContact CB-CZ2 3.7Å; F17-W44 AromaticContact CD1-CH2 3.82Å; F17-W44 HydrophobicContact CD1-CH2 3.82Å; F17-W44 HydrophobicContact CD2-CH2 4.44Å; F17-W44 HydrophobicContact CE1-CH2 4.04Å; F17-W44 HydrophobicContact CE1-CZ2 4.35Å; F17-W44 HydrophobicContact CE2-CZ2 4.47Å; F17-W44 HydrophobicContact CG-CH2 4.03Å; F17-W44 HydrophobicContact CZ-CH2 4.42Å; F17-W44 HydrophobicContact CZ-CZ2 4.32Å; Y20-W44 HydrophobicContact CG-CZ3 4.26Å; C40-W44 WeakPolarHBondContact SG-CB 3.32Å; D41-W44 PolarHBondContact O-N 2.85Å; D41-W44 PolarHBondContact OD1-N 3.45Å; W44-S46 VanDerWaalsContact C-N 3.3Å; W44-S46 PolarHBondContact O-N 2.93Å; W44-L47 HydrophobicContact CE3-CD1 3.91Å; W44-L47 HydrophobicContact CZ3-CD1 4.09Å; W44-L47 WeakPolarHBondContact O-CB 3.34Å; W44-L47 PolarHBondContact O-N 3.22Å; W44-L47 VanDerWaalsContact O-N 3.11Å; W44-F48 HydrophobicContact CB-CD2 4.49Å; W44-F48 AromaticContact CE3-CE2 3.96Å; W44-F48 HydrophobicContact CE3-CE2 3.96Å; W44-F48 VanDerWaalsContact O-CD2 3.24Å; W44-F48 WeakPolarHBondContact O-CD2 2.98Å; W44-F48 PolarHBondContact O-N 3.33Å
45M92.7Very high93.2Very high20 Ų2047.3 Ų47.310%0.09924%0.243CC..Hα-helixtrans-61.8-35.9174.7-74.2-54-58.700113C40 D41 Y43 L47 F48 K49 Y55 I57C40-M45 HydrophobicContact CB-CG 4.23Å; C40-M45 HydrophobicContact CB-SD 4.01Å; C40-M45 PolarHBondContact SG-SD 3.44Å; D41-M45 WeakPolarHBondContact O-CB 3.39Å; D41-M45 VanDerWaalsContact O-CG 3.31Å; D41-M45 WeakPolarHBondContact O-CG 3.5Å; D41-M45 PolarHBondContact O-N 3.5Å; Y43-M45 VanDerWaalsContact C-N 3.3Å; Y43-M45 PolarHBondContact O-N 2.8Å; M45-L47 PolarHBondContact O-N 3.07Å; M45-F48 PolarHBondContact O-N 3.46Å; M45-K49 WeakPolarHBondContact O-CB 3.36Å; M45-K49 WeakPolarHBondContact O-CG 3.16Å; M45-K49 PolarHBondContact O-N 2.8Å; M45-Y55 HydrophobicContact CE-CD1 4.03Å; M45-Y55 HydrophobicContact CE-CD2 3.74Å; M45-Y55 HydrophobicContact CE-CE1 3.76Å; M45-Y55 HydrophobicContact CE-CE2 3.43Å; M45-Y55 VanDerWaalsContact CE-CE2 3.43Å; M45-Y55 HydrophobicContact CE-CG 4.03Å; M45-Y55 VanDerWaalsContact CE-CZ 3.45Å; M45-I57 HydrophobicContact CE-CD1 4.39Å; M45-I57 HydrophobicContact CG-CD1 4.27Å; M45-I57 HydrophobicContact SD-CD1 3.68Å
46S94Very high93.1Very high65 Ų6548.5 Ų48.546%0.45525%0.249SC..Hα-helixtrans-63.6-32.4175.679.80000112.5E42 Y43 W44 P50E42-S46 WeakPolarHBondContact O-CB 3.44Å; E42-S46 PolarHBondContact O-N 3.33Å; Y43-S46 WeakPolarHBondContact O-CB 3.42Å; Y43-S46 PolarHBondContact O-N 3.22Å; Y43-S46 VanDerWaalsContact O-N 3.11Å; Y43-S46 PolarHBondContact O-OG 2.87Å; W44-S46 VanDerWaalsContact C-N 3.3Å; W44-S46 PolarHBondContact O-N 2.93Å; S46-P50 VanDerWaalsContact O-CD 3.3Å; S46-P50 WeakPolarHBondContact O-CD 3.47Å
47L94.2Very high92.9Very high23 Ų2351.2 Ų51.212%0.1226%0.263CS..Hα-helixtrans-79.1-36.7178.6-60.3177000112.4Y20 Y43 W44 M45 P50 L203Y20-L47 HydrophobicContact CD2-CB 4.28Å; Y20-L47 HydrophobicContact CE2-CB 3.67Å; Y43-L47 HydrophobicContact CD1-CD1 4.35Å; Y43-L47 HydrophobicContact CE1-CD1 3.78Å; Y43-L47 HydrophobicContact CE2-CD1 4.5Å; Y43-L47 PolarHBondContact O-N 2.7Å; W44-L47 HydrophobicContact CE3-CD1 3.91Å; W44-L47 HydrophobicContact CZ3-CD1 4.09Å; W44-L47 WeakPolarHBondContact O-CB 3.34Å; W44-L47 PolarHBondContact O-N 3.22Å; W44-L47 VanDerWaalsContact O-N 3.11Å; M45-L47 PolarHBondContact O-N 3.07Å; L47-P50 WeakPolarHBondContact O-CD 3.22Å; L47-L203 HydrophobicContact CD1-CD1 3.46Å; L47-L203 VanDerWaalsContact CD1-CD1 3.46Å; L47-L203 HydrophobicContact CD1-CD2 4.21Å; L47-L203 HydrophobicContact CD1-CG 4.49Å; L47-L203 HydrophobicContact CD2-CD1 4.41Å; L47-L203 HydrophobicContact CD2-CD2 3.7Å
48F94.1Very high92.6Very high5 Ų551.5 Ų51.52%0.02227%0.265CS..Hα-helixtrans-81.8-30.2-178-78.3-62000114F10 Y20 A23 I35 W44 M45 P50 I51 A52F10-F48 HydrophobicContact CD1-CE2 4.05Å; F10-F48 HydrophobicContact CD2-CE2 4.44Å; F10-F48 AromaticContact CE1-CE2 3.39Å; F10-F48 HydrophobicContact CE1-CE2 3.39Å; F10-F48 AromaticContact CE1-CZ 3.51Å; F10-F48 HydrophobicContact CE1-CZ 3.51Å; F10-F48 AromaticContact CE2-CE2 3.79Å; F10-F48 HydrophobicContact CE2-CE2 3.79Å; F10-F48 HydrophobicContact CE2-CZ 4.28Å; F10-F48 HydrophobicContact CZ-CD2 4.36Å; F10-F48 AromaticContact CZ-CE2 3.24Å; F10-F48 HydrophobicContact CZ-CE2 3.24Å; F10-F48 AromaticContact CZ-CZ 3.35Å; F10-F48 HydrophobicContact CZ-CZ 3.35Å; Y20-F48 HydrophobicContact CD2-CD1 4Å; Y20-F48 AromaticContact CD2-CE1 3.61Å; Y20-F48 HydrophobicContact CD2-CE1 3.61Å; Y20-F48 HydrophobicContact CD2-CE2 4.39Å; Y20-F48 AromaticContact CD2-CZ 3.81Å; Y20-F48 HydrophobicContact CD2-CZ 3.81Å; Y20-F48 HydrophobicContact CE2-CD1 4.4Å; Y20-F48 HydrophobicContact CE2-CE1 4.42Å; Y20-F48 HydrophobicContact CG-CZ 4.45Å; A23-F48 HydrophobicContact CB-CE1 4.46Å; I35-F48 HydrophobicContact CD1-CB 3.79Å; I35-F48 HydrophobicContact CD1-CD1 3.02Å; I35-F48 HydrophobicContact CD1-CD2 4.31Å; I35-F48 HydrophobicContact CD1-CE1 3.54Å; I35-F48 HydrophobicContact CD1-CG 3.46Å; I35-F48 VanDerWaalsContact CD1-CG 3.46Å; I35-F48 HydrophobicContact CD1-CZ 4.39Å; I35-F48 HydrophobicContact CG1-CD1 4.48Å; W44-F48 HydrophobicContact CB-CD2 4.49Å; W44-F48 AromaticContact CE3-CE2 3.96Å; W44-F48 HydrophobicContact CE3-CE2 3.96Å; W44-F48 VanDerWaalsContact O-CD2 3.24Å; W44-F48 WeakPolarHBondContact O-CD2 2.98Å; W44-F48 PolarHBondContact O-N 3.33Å; M45-F48 PolarHBondContact O-N 3.46Å; F48-P50 VanDerWaalsContact C-CD 3.49Å; F48-P50 VanDerWaalsContact C-N 3.32Å; F48-I51 HydrophobicContact CD1-CD1 3.83Å; F48-I51 HydrophobicContact CD1-CG1 4.08Å; F48-I51 HydrophobicContact CE1-CD1 4.21Å; F48-I51 WeakPolarHBondContact O-CG1 3.44Å; F48-I51 PolarHBondContact O-N 3.42Å; F48-A52 VanDerWaalsContact O-CB 3.28Å; F48-A52 WeakPolarHBondContact O-CB 3.48Å; F48-A52 PolarHBondContact O-N 3.13Å
49K93.7Very high92.2Very high135 Ų13559.7 Ų59.759%0.58730%0.303SS*.THydrogen-bonded Turntrans-50.9-41.5179.9-85170.9-176.5178.30114.3M45M45-K49 WeakPolarHBondContact O-CB 3.36Å; M45-K49 WeakPolarHBondContact O-CG 3.16Å; M45-K49 PolarHBondContact O-N 2.8Å
50P94.8Very high91.5Very high95 Ų9559.3 Ų59.362%0.61731%0.307SS*.THydrogen-bonded Turntrans-70.8-25.6177.5-22.134.9000115S46 L47 F48S46-P50 VanDerWaalsContact O-CD 3.3Å; S46-P50 WeakPolarHBondContact O-CD 3.47Å; L47-P50 WeakPolarHBondContact O-CD 3.22Å; F48-P50 VanDerWaalsContact C-CD 3.49Å; F48-P50 VanDerWaalsContact C-N 3.32Å
51I95.5Very high90.2Very high14 Ų1467.6 Ų67.67%0.07234%0.341CS..THydrogen-bonded Turntrans-107.7-18.7-172.666.8169.6000113.9Y20 A23 K24 H27 F48Y20-I51 HydrophobicContact CD2-CD1 4.12Å; Y20-I51 HydrophobicContact CE2-CD1 3.74Å; A23-I51 HydrophobicContact CB-CD1 4.44Å; K24-I51 HydrophobicContact CB-CD1 4.29Å; H27-I51 HydrophobicContact CB-CB 4.12Å; H27-I51 HydrophobicContact CB-CG2 4.48Å; H27-I51 PolarHBondContact ND1-O 3.33Å; F48-I51 HydrophobicContact CD1-CD1 3.83Å; F48-I51 HydrophobicContact CD1-CG1 4.08Å; F48-I51 HydrophobicContact CE1-CD1 4.21Å; F48-I51 WeakPolarHBondContact O-CG1 3.44Å; F48-I51 PolarHBondContact O-N 3.42Å
52A96.2Very high88.7Confident18 Ų1866.4 Ų66.415%0.14934%0.336CS..EExtended strand (participates in β ladder)trans-97.8133-177.500000112.1I33 I35 F48I33-A52 CarbonylContact O-C 3.57Å; I33-A52 VanDerWaalsContact O-CA 3.28Å; I33-A52 WeakPolarHBondContact O-CA 3.31Å; I35-A52 HydrophobicContact CD1-CB 3.65Å; I35-A52 HydrophobicContact CG1-CB 3.95Å; F48-A52 VanDerWaalsContact O-CB 3.28Å; F48-A52 WeakPolarHBondContact O-CB 3.48Å; F48-A52 PolarHBondContact O-N 3.13Å
53T95.8Very high86.8Confident85 Ų8561.9 Ų61.952%0.52132%0.321SS..EExtended strand (participates in β ladder)trans-80.3-32.3178.4560000113.1E32 I33 T34E32-T53 HydrophobicContact CB-CG2 4.14Å; E32-T53 HydrophobicContact CG-CG2 4.34Å; I33-T53 PolarHBondContact O-N 2.9Å; I33-T53 PolarHBondContact O-OG1 2.97Å; I33-T53 VanDerWaalsContact O-OG1 3.11Å; T34-T53 PolarHBondContact OG1-OG1 3.33Å
54D96.3Very high84.6Confident45 Ų4562.2 Ų62.224%0.24133%0.332CS..EExtended strand (participates in β ladder)trans-156.7160.8173.9-167.611.3000108.7T34 I35 R81 W82T34-D54 WeakPolarHBondContact CA-O 3.23Å; T34-D54 HydrophobicContact CG2-CB 4.31Å; I35-D54 PolarHBondContact N-O 3.19Å; D54-R81 IonicContact OD1-CZ 3.35Å; D54-R81 IonicContact OD1-NE 3.41Å; D54-R81 IonicContact OD1-NH2 3.83Å; D54-R81 PolarHBondContact OD1-NH2 2.85Å; D54-R81 IonicContact OD2-CZ 3.4Å; D54-R81 IonicContact OD2-NE 2.66Å; D54-R81 PolarHBondContact OD2-NE 2.86Å; D54-R81 VanDerWaalsContact OD2-NE 3.14Å; D54-R81 IonicContact OD2-NH2 3.44Å; D54-R81 PolarHBondContact OD2-NH2 2.94Å; D54-W82 HydrophobicContact CB-CZ2 4.18Å; D54-W82 PolarHBondContact OD2-NE1 3.14Å
55Y95.7Very high82.4Confident103 Ų10363.4 Ų63.440%0.40434%0.344SS..EExtended strand (participates in β ladder)trans-148.8159.3177.761.5-90.8000113.1I35 M45 I57I35-Y55 CarbonylContact O-C 3.52Å; I35-Y55 WeakPolarHBondContact O-CA 3.49Å; M45-Y55 HydrophobicContact CE-CD1 4.03Å; M45-Y55 HydrophobicContact CE-CD2 3.74Å; M45-Y55 HydrophobicContact CE-CE1 3.76Å; M45-Y55 HydrophobicContact CE-CE2 3.43Å; M45-Y55 VanDerWaalsContact CE-CE2 3.43Å; M45-Y55 HydrophobicContact CE-CG 4.03Å; M45-Y55 VanDerWaalsContact CE-CZ 3.45Å; Y55-I57 HydrophobicContact CD2-CD1 4.41Å; Y55-I57 HydrophobicContact CD2-CG1 4.23Å; Y55-I57 HydrophobicContact CE2-CD1 4.42Å
56I94.2Very high80.6Confident30 Ų3066.4 Ų66.415%0.15436%0.36CS..EExtended strand (participates in β ladder)trans-134.9131.3168-166.1173.8000109.8I35 A36 T37 V58 L74 K77 W82I35-I56 PolarHBondContact O-N 3.1Å; A36-I56 HydrophobicContact CB-CG2 3.8Å; T37-I56 PolarHBondContact N-O 3.16Å; I56-V58 HydrophobicContact CD1-CG2 4.21Å; I56-V58 HydrophobicContact CG1-CG2 4.17Å; I56-L74 HydrophobicContact CG2-CD1 4.11Å; I56-K77 HydrophobicContact CD1-CB 3.96Å; I56-W82 HydrophobicContact CB-CH2 3.87Å; I56-W82 HydrophobicContact CB-CZ2 4.43Å; I56-W82 HydrophobicContact CG2-CH2 3.54Å; I56-W82 HydrophobicContact CG2-CZ3 3.8Å
57I91.5Very high78.8Confident57 Ų5764.3 Ų64.329%0.29234%0.342SS..EExtended strand (participates in β ladder)trans-112.8121172.3-53170.4000107.1T37 C40 M45 Y55 E59T37-I57 HydrophobicContact CG2-CG1 4.1Å; T37-I57 VanDerWaalsContact O-CA 3.31Å; T37-I57 WeakPolarHBondContact O-CA 3.41Å; C40-I57 HydrophobicContact CB-CD1 4.15Å; M45-I57 HydrophobicContact CE-CD1 4.39Å; M45-I57 HydrophobicContact CG-CD1 4.27Å; M45-I57 HydrophobicContact SD-CD1 3.68Å; Y55-I57 HydrophobicContact CD2-CD1 4.41Å; Y55-I57 HydrophobicContact CD2-CG1 4.23Å; Y55-I57 HydrophobicContact CE2-CD1 4.42Å; I57-E59 HydrophobicContact CG2-CG 4.2Å
58V85.9Confident77.1Confident9 Ų970.4 Ų70.46%0.05537%0.368CS..  trans-108.683.9176.9-178.90000107.3T37 M38 I56 S60 V73 L74 K77T37-V58 PolarHBondContact O-N 3.4Å; M38-V58 WeakPolarHBondContact CA-O 2.91Å; M38-V58 HydrophobicContact CE-CB 4.5Å; M38-V58 HydrophobicContact CE-CG1 4.31Å; M38-V58 WeakPolarHBondContact CE-O 3.37Å; M38-V58 CarbonylContact O-C 3.53Å; M38-V58 VanDerWaalsContact O-O 3.05Å; M38-V58 HydrophobicContact SD-CB 4.12Å; M38-V58 HydrophobicContact SD-CG1 4.41Å; I56-V58 HydrophobicContact CD1-CG2 4.21Å; I56-V58 HydrophobicContact CG1-CG2 4.17Å; V58-S60 PolarHBondContact O-N 3.38Å; V58-V73 HydrophobicContact CG1-CG1 4.36Å; V58-L74 HydrophobicContact CB-CD1 3.98Å; V58-L74 HydrophobicContact CG2-CD1 3.52Å; V58-K77 HydrophobicContact CB-CD 4.24Å; V58-K77 HydrophobicContact CG1-CD 3.75Å; V58-K77 HydrophobicContact CG2-CB 4.16Å; V58-K77 HydrophobicContact CG2-CD 3.4Å; V58-K77 VanDerWaalsContact CG2-CD 3.4Å; V58-K77 HydrophobicContact CG2-CG 4.4Å
59E79.3Confident75.8Confident172 Ų17276.8 Ų76.880%0.80440%0.398SS*.  trans-54.8111.7179.5-70.1-174.7-175.200110.7M38 I57M38-E59 VanDerWaalsContact O-CA 3.3Å; M38-E59 WeakPolarHBondContact O-CA 3.39Å; M38-E59 PolarHBondContact O-N 2.95Å; I57-E59 HydrophobicContact CG2-CG 4.2Å
60S71.9Confident74.9Confident53 Ų5370.5 Ų70.537%0.37137%0.371SS..  trans-152.9149.6166.9149.20000108.4V58 C62V58-S60 PolarHBondContact O-N 3.38Å; S60-C62 VanDerWaalsContact C-N 3.25Å; S60-C62 PolarHBondContact O-N 3.48Å
61K63.1Low74.2Confident192 Ų19266.2 Ų66.284%0.83534%0.343SS*.  trans-68.190.2177.5-65.3-176.7-179.5-178.30107.5V63K61-V63 PolarHBondContact O-N 3.22Å; K61-V63 VanDerWaalsContact O-N 3.08Å
62C56.5Low73.8Confident22 Ų2266.8 Ų66.815%0.14935%0.346CS..  trans-65.4108.4166.1-167.30000106.4S60 P64S60-C62 VanDerWaalsContact C-N 3.25Å; S60-C62 PolarHBondContact O-N 3.48Å; C62-P64 WeakPolarHBondContact O-CD 3.45Å
63V52.8Low73.4Confident84 Ų8468.6 Ų68.651%0.50936%0.355SS..  trans-85.5117.7163-1750000105.6K61 G65 D66K61-V63 PolarHBondContact O-N 3.22Å; K61-V63 VanDerWaalsContact O-N 3.08Å; V63-G65 PolarHBondContact O-N 3.43Å; V63-D66 PolarHBondContact O-N 3.1Å
64P45Very low73.1Confident80 Ų8064.6 Ų64.652%0.51933%0.33SS..THydrogen-bonded Turntrans-53.5110.5173.2-23.633.3000109.4C62C62-P64 WeakPolarHBondContact O-CD 3.45Å
65G47.5Very low72.9Confident24 Ų2462.4 Ų62.425%0.24732%0.319CS..THydrogen-bonded Turntrans125.1-14.1-176.600000114.8V63 W67 Y131V63-G65 PolarHBondContact O-N 3.43Å; G65-W67 PolarHBondContact O-N 2.98Å; G65-Y131 PolarHBondContact O-OH 2.92Å
66D54.6Low72.8Confident83 Ų8361.7 Ų61.744%0.44432%0.318SS..  trans-79.9100.3172.2-82.4-23.8000110.8V63 F68V63-D66 PolarHBondContact O-N 3.1Å; D66-F68 PolarHBondContact O-N 2.97Å
67W56Low72.8Confident21 Ų2165.1 Ų65.18%0.0833%0.331CS..SBendtrans-64.6-26.2-178.2-70.576.2000113.7G65 S96 L135 I138 E139G65-W67 PolarHBondContact O-N 2.98Å; W67-S96 VanDerWaalsContact CE3-CB 3.46Å; W67-S96 PolarHBondContact O-OG 3.01Å; W67-L135 HydrophobicContact CD2-CD2 4.21Å; W67-L135 HydrophobicContact CH2-CB 4.15Å; W67-L135 HydrophobicContact CH2-CD2 4.33Å; W67-L135 WeakPolarHBondContact CH2-O 3.36Å; W67-L135 HydrophobicContact CZ2-CB 3.62Å; W67-L135 HydrophobicContact CZ2-CD1 3.72Å; W67-L135 HydrophobicContact CZ2-CD2 3.43Å; W67-L135 VanDerWaalsContact CZ2-CD2 3.43Å; W67-L135 HydrophobicContact CZ2-CG 3.71Å; W67-I138 HydrophobicContact CE3-CB 4.44Å; W67-I138 HydrophobicContact CE3-CG2 3.77Å; W67-I138 HydrophobicContact CH2-CB 4.37Å; W67-I138 HydrophobicContact CH2-CG2 4.42Å; W67-I138 HydrophobicContact CZ3-CB 3.89Å; W67-I138 HydrophobicContact CZ3-CG2 3.47Å; W67-I138 VanDerWaalsContact CZ3-CG2 3.47Å; W67-E139 HydrophobicContact CH2-CB 4.36Å; W67-E139 HydrophobicContact CH2-CG 3.69Å; W67-E139 HydrophobicContact CZ3-CG 4.33Å
68F58.6Low72.9Confident152 Ų15262.4 Ų62.467%0.66732%0.317SS*.SBendtrans-116-14.5-159.2-75.9-75.6000116.4D66 I72D66-F68 PolarHBondContact O-N 2.97Å; F68-I72 HydrophobicContact CD1-CD1 4.06Å
69H66.2Low73.5Confident138 Ų13864.2 Ų64.264%0.63933%0.325SS*.SBendtrans-117.8-32.3-158.8-148.3-88.8000117.9V73H69-V73 WeakPolarHBondContact O-CG2 3.49Å
70P75Confident74.3Confident3 Ų363.9 Ų63.92%0.01932%0.321CS..SBendtrans-95.8-55-178.8-6.625.1000113.2M38 I72 V73 L74M38-P70 HydrophobicContact CE-CB 3.27Å; M38-P70 HydrophobicContact CG-CB 4.45Å; M38-P70 VanDerWaalsContact SD-C 3.58Å; M38-P70 HydrophobicContact SD-CB 4.15Å; P70-I72 PolarHBondContact O-N 3.37Å; P70-V73 WeakPolarHBondContact O-CB 3.12Å; P70-V73 PolarHBondContact O-N 3.27Å; P70-L74 PolarHBondContact O-N 3.39Å
71I80.7Confident75.4Confident5 Ų567.8 Ų67.83%0.02633%0.327CS..Hα-helixtrans-77.2-25.6-170.8-163.7-173.5000113.2I6 P8 L74 A75 C94 T97I6-I71 HydrophobicContact CG2-CD1 4.46Å; I6-I71 HydrophobicContact CG2-CG1 4.43Å; P8-I71 HydrophobicContact CB-CD1 4.15Å; I71-L74 HydrophobicContact CG1-CD2 4.3Å; I71-L74 WeakPolarHBondContact O-CB 3.46Å; I71-L74 PolarHBondContact O-N 3.46Å; I71-A75 PolarHBondContact O-N 3.35Å; I71-C94 HydrophobicContact CD1-CB 3.93Å; I71-T97 HydrophobicContact CB-CG2 3.74Å; I71-T97 HydrophobicContact CD1-CG2 3.67Å; I71-T97 HydrophobicContact CG1-CG2 3.61Å; I71-T97 HydrophobicContact CG2-CG2 3.12Å
72I86.2Confident77.1Confident27 Ų2759.7 Ų59.714%0.13829%0.292CS..Hα-helixtrans-64.8-43.6169.1-66.7-177.8000109.9F68 P70 L74 A75 F76 T97 V100F68-I72 HydrophobicContact CD1-CD1 4.06Å; P70-I72 PolarHBondContact O-N 3.37Å; I72-L74 VanDerWaalsContact C-N 3.28Å; I72-L74 PolarHBondContact O-N 2.8Å; I72-A75 WeakPolarHBondContact O-CB 3.32Å; I72-A75 PolarHBondContact O-N 3.44Å; I72-A75 VanDerWaalsContact O-N 3.14Å; I72-F76 HydrophobicContact CG2-CD2 3.76Å; I72-F76 HydrophobicContact CG2-CE2 3.67Å; I72-F76 VanDerWaalsContact O-CD2 3.29Å; I72-F76 WeakPolarHBondContact O-CD2 3.47Å; I72-F76 PolarHBondContact O-N 3.43Å; I72-T97 HydrophobicContact CG1-CG2 4.17Å; I72-V100 HydrophobicContact CD1-CG2 4.35Å; I72-V100 HydrophobicContact CG1-CG2 4.37Å; I72-V100 HydrophobicContact CG2-CG1 4.39Å
73V88Confident79Confident56 Ų5659.7 Ų59.734%0.33930%0.296SS..Hα-helixtrans-61.6-39.5175.8173.50000110.8V58 H69 P70 F76 K77V58-V73 HydrophobicContact CG1-CG1 4.36Å; H69-V73 WeakPolarHBondContact O-CG2 3.49Å; P70-V73 WeakPolarHBondContact O-CB 3.12Å; P70-V73 PolarHBondContact O-N 3.27Å; V73-F76 PolarHBondContact O-N 3.11Å; V73-K77 HydrophobicContact CG1-CD 4.23Å; V73-K77 HydrophobicContact CG1-CG 4.44Å; V73-K77 WeakPolarHBondContact O-CB 2.9Å; V73-K77 WeakPolarHBondContact O-CG 3.39Å; V73-K77 PolarHBondContact O-N 3.44Å
74L90.3Very high81.1Confident0 Ų062.7 Ų62.70%030%0.298CS..Hα-helixtrans-59.1-47.4172-179.364.5000112.2I6 A36 T37 M38 I56 V58 P70 I71 I72 F76 K77 A78I6-L74 HydrophobicContact CG2-CD2 3.85Å; A36-L74 HydrophobicContact CB-CD1 3.87Å; A36-L74 HydrophobicContact CB-CD2 4.21Å; A36-L74 HydrophobicContact CB-CG 3.98Å; T37-L74 WeakPolarHBondContact O-CD1 3.46Å; M38-L74 HydrophobicContact CG-CD2 4.21Å; M38-L74 HydrophobicContact SD-CB 3.61Å; M38-L74 HydrophobicContact SD-CD1 4.47Å; M38-L74 HydrophobicContact SD-CD2 4.09Å; M38-L74 HydrophobicContact SD-CG 4.28Å; I56-L74 HydrophobicContact CG2-CD1 4.11Å; V58-L74 HydrophobicContact CB-CD1 3.98Å; V58-L74 HydrophobicContact CG2-CD1 3.52Å; P70-L74 PolarHBondContact O-N 3.39Å; I71-L74 HydrophobicContact CG1-CD2 4.3Å; I71-L74 WeakPolarHBondContact O-CB 3.46Å; I71-L74 PolarHBondContact O-N 3.46Å; I72-L74 VanDerWaalsContact C-N 3.28Å; I72-L74 PolarHBondContact O-N 2.8Å; L74-F76 PolarHBondContact O-N 2.94Å; L74-K77 PolarHBondContact O-N 3.49Å; L74-A78 VanDerWaalsContact O-CB 3.31Å; L74-A78 WeakPolarHBondContact O-CB 3.35Å; L74-A78 PolarHBondContact O-N 3.37Å
75A92.1Very high83.5Confident0 Ų062.8 Ų62.80%029%0.29CS..Hα-helixtrans-59.9-44.1178.200000111.8I71 I72 A78 F79 V100 L104I71-A75 PolarHBondContact O-N 3.35Å; I72-A75 WeakPolarHBondContact O-CB 3.32Å; I72-A75 PolarHBondContact O-N 3.44Å; I72-A75 VanDerWaalsContact O-N 3.14Å; A75-A78 PolarHBondContact O-N 2.9Å; A75-F79 WeakPolarHBondContact O-CB 3.28Å; A75-F79 PolarHBondContact O-N 2.92Å; A75-V100 HydrophobicContact CB-CG1 4.28Å; A75-L104 HydrophobicContact CB-CD1 4.21Å
76F93.3Very high85.9Confident87 Ų8762 Ų6238%0.38228%0.28SS..Hα-helixtrans-63.4-46.4174.4-84.2-76.4000112.3I72 V73 L74 A78 F79 F80 V100 L104I72-F76 HydrophobicContact CG2-CD2 3.76Å; I72-F76 HydrophobicContact CG2-CE2 3.67Å; I72-F76 VanDerWaalsContact O-CD2 3.29Å; I72-F76 WeakPolarHBondContact O-CD2 3.47Å; I72-F76 PolarHBondContact O-N 3.43Å; V73-F76 PolarHBondContact O-N 3.11Å; L74-F76 PolarHBondContact O-N 2.94Å; F76-A78 VanDerWaalsContact C-N 3.35Å; F76-A78 PolarHBondContact O-N 2.96Å; F76-F79 WeakPolarHBondContact O-CB 3.44Å; F76-F79 PolarHBondContact O-N 3.48Å; F76-F80 HydrophobicContact CB-CD2 4.41Å; F76-F80 HydrophobicContact CB-CE2 4.3Å; F76-F80 HydrophobicContact CD1-CE2 4.02Å; F76-F80 WeakPolarHBondContact O-CD2 3.25Å; F76-F80 PolarHBondContact O-N 3.48Å; F76-V100 HydrophobicContact CE2-CG1 4.12Å; F76-L104 HydrophobicContact CD1-CD1 4.04Å; F76-L104 HydrophobicContact CD1-CD2 4.08Å; F76-L104 HydrophobicContact CD2-CD1 4.47Å; F76-L104 HydrophobicContact CE1-CD1 4.24Å; F76-L104 HydrophobicContact CE1-CD2 3.79Å; F76-L104 HydrophobicContact CG-CD1 4.16Å; F76-L104 HydrophobicContact CZ-CD2 4.43Å
77K93.6Very high87.8Confident102 Ų10260.8 Ų60.844%0.44327%0.273SS..Hα-helixtrans-62.2-42.1178.1-78.7-175.6170.1-172.40112I56 V58 V73 L74 F79 F80 R81I56-K77 HydrophobicContact CD1-CB 3.96Å; V58-K77 HydrophobicContact CB-CD 4.24Å; V58-K77 HydrophobicContact CG1-CD 3.75Å; V58-K77 HydrophobicContact CG2-CB 4.16Å; V58-K77 HydrophobicContact CG2-CD 3.4Å; V58-K77 VanDerWaalsContact CG2-CD 3.4Å; V58-K77 HydrophobicContact CG2-CG 4.4Å; V73-K77 HydrophobicContact CG1-CD 4.23Å; V73-K77 HydrophobicContact CG1-CG 4.44Å; V73-K77 WeakPolarHBondContact O-CB 2.9Å; V73-K77 WeakPolarHBondContact O-CG 3.39Å; V73-K77 PolarHBondContact O-N 3.44Å; L74-K77 PolarHBondContact O-N 3.49Å; K77-F79 VanDerWaalsContact C-N 3.34Å; K77-F80 PolarHBondContact O-N 2.89Å; K77-R81 WeakPolarHBondContact O-CB 3.1Å; K77-R81 PolarHBondContact O-N 3.15Å
78A94.9Very high89.7Confident0 Ų059.8 Ų59.80%027%0.269CS..Hα-helixtrans-60.9-43.7173.300000111.2L4 A36 L74 A75 F76 R81 W82 F105L4-A78 HydrophobicContact CD2-CB 4.38Å; A36-A78 HydrophobicContact CB-CB 4.2Å; L74-A78 VanDerWaalsContact O-CB 3.31Å; L74-A78 WeakPolarHBondContact O-CB 3.35Å; L74-A78 PolarHBondContact O-N 3.37Å; A75-A78 PolarHBondContact O-N 2.9Å; F76-A78 VanDerWaalsContact C-N 3.35Å; F76-A78 PolarHBondContact O-N 2.96Å; A78-R81 PolarHBondContact O-N 3.07Å; A78-W82 HydrophobicContact CB-CE3 3.87Å; A78-W82 HydrophobicContact CB-CZ3 3.77Å; A78-W82 PolarHBondContact O-N 3.42Å; A78-F105 HydrophobicContact CB-CZ 4.03Å
79F96.8Very high91.4Very high48 Ų4852.5 Ų52.521%0.21124%0.238CC..Hα-helixtrans-63.5-46.2177175.8-100.9000112.5A75 F76 K77 R81 W82 G83 R84 L104 F105A75-F79 WeakPolarHBondContact O-CB 3.28Å; A75-F79 PolarHBondContact O-N 2.92Å; F76-F79 WeakPolarHBondContact O-CB 3.44Å; F76-F79 PolarHBondContact O-N 3.48Å; K77-F79 VanDerWaalsContact C-N 3.34Å; F79-R81 VanDerWaalsContact C-N 3.25Å; F79-R81 PolarHBondContact O-N 3.13Å; F79-W82 PolarHBondContact O-N 2.88Å; F79-G83 VanDerWaalsContact O-CA 3.28Å; F79-G83 WeakPolarHBondContact O-CA 3.26Å; F79-G83 PolarHBondContact O-N 3.27Å; F79-R84 HydrophobicContact CE2-CG 3.85Å; F79-L104 HydrophobicContact CB-CB 4.17Å; F79-L104 HydrophobicContact CB-CD1 4.02Å; F79-L104 HydrophobicContact CB-CD2 4.48Å; F79-L104 HydrophobicContact CB-CG 4.46Å; F79-L104 HydrophobicContact CD1-CD2 4Å; F79-L104 HydrophobicContact CD2-CB 3.83Å; F79-L104 HydrophobicContact CD2-CD2 4.46Å; F79-L104 WeakPolarHBondContact CD2-O 3.5Å; F79-L104 HydrophobicContact CE1-CD2 4.37Å; F79-L104 HydrophobicContact CE2-CB 4.45Å; F79-L104 WeakPolarHBondContact CE2-O 3.29Å; F79-L104 HydrophobicContact CG-CB 4Å; F79-L104 HydrophobicContact CG-CD1 4.45Å; F79-L104 HydrophobicContact CG-CD2 4.05Å; F79-L104 HydrophobicContact CG-CG 4.39Å; F79-F105 HydrophobicContact CB-CE1 4.12Å; F79-F105 HydrophobicContact CB-CE2 4.37Å; F79-F105 HydrophobicContact CB-CZ 3.8Å; F79-F105 HydrophobicContact CD2-CD1 4.31Å; F79-F105 HydrophobicContact CD2-CE1 4.2Å
80F96.2Very high92.8Very high164 Ų16446 Ų4672%0.71921%0.207SC*.Hα-helixtrans-66.3-27.3177.2-74.3-62000113F76 K77F76-F80 HydrophobicContact CB-CD2 4.41Å; F76-F80 HydrophobicContact CB-CE2 4.3Å; F76-F80 HydrophobicContact CD1-CE2 4.02Å; F76-F80 WeakPolarHBondContact O-CD2 3.25Å; F76-F80 PolarHBondContact O-N 3.48Å; K77-F80 PolarHBondContact O-N 2.89Å
81R96.6Very high93.6Very high135 Ų13545.9 Ų45.951%0.50921%0.207SC..Hα-helixtrans-77.3-43.1176.2-175.5178.4173.681.2-4.4112.9D54 K77 A78 F79D54-R81 IonicContact OD1-CZ 3.35Å; D54-R81 IonicContact OD1-NE 3.41Å; D54-R81 IonicContact OD1-NH2 3.83Å; D54-R81 PolarHBondContact OD1-NH2 2.85Å; D54-R81 IonicContact OD2-CZ 3.4Å; D54-R81 IonicContact OD2-NE 2.66Å; D54-R81 PolarHBondContact OD2-NE 2.86Å; D54-R81 VanDerWaalsContact OD2-NE 3.14Å; D54-R81 IonicContact OD2-NH2 3.44Å; D54-R81 PolarHBondContact OD2-NH2 2.94Å; K77-R81 WeakPolarHBondContact O-CB 3.1Å; K77-R81 PolarHBondContact O-N 3.15Å; A78-R81 PolarHBondContact O-N 3.07Å; F79-R81 VanDerWaalsContact C-N 3.25Å; F79-R81 PolarHBondContact O-N 3.13Å
82W97.2Very high94Very high22 Ų2245.7 Ų45.78%0.08321%0.206CC..Hα-helixtrans-120.4-18.1-165.8-66.6-45.3000115.5L4 T34 I35 A36 D54 I56 A78 F79 K85 F86L4-W82 HydrophobicContact CD1-CE3 3.9Å; L4-W82 HydrophobicContact CD1-CZ3 3.61Å; T34-W82 HydrophobicContact CG2-CD2 3.78Å; T34-W82 VanDerWaalsContact CG2-CE2 3.48Å; T34-W82 HydrophobicContact CG2-CE3 3.8Å; T34-W82 HydrophobicContact CG2-CH2 3.31Å; T34-W82 HydrophobicContact CG2-CZ2 3.26Å; T34-W82 HydrophobicContact CG2-CZ3 3.59Å; I35-W82 WeakPolarHBondContact O-CH2 3.47Å; A36-W82 HydrophobicContact CB-CZ3 4.31Å; D54-W82 HydrophobicContact CB-CZ2 4.18Å; D54-W82 PolarHBondContact OD2-NE1 3.14Å; I56-W82 HydrophobicContact CB-CH2 3.87Å; I56-W82 HydrophobicContact CB-CZ2 4.43Å; I56-W82 HydrophobicContact CG2-CH2 3.54Å; I56-W82 HydrophobicContact CG2-CZ3 3.8Å; A78-W82 HydrophobicContact CB-CE3 3.87Å; A78-W82 HydrophobicContact CB-CZ3 3.77Å; A78-W82 PolarHBondContact O-N 3.42Å; F79-W82 PolarHBondContact O-N 2.88Å; W82-K85 HydrophobicContact CB-CD 4.46Å; W82-K85 WeakPolarHBondContact O-CG 3.44Å; W82-F86 HydrophobicContact CB-CE2 3.58Å; W82-F86 HydrophobicContact CB-CZ 3.68Å; W82-F86 HydrophobicContact CD2-CE2 4.43Å; W82-F86 AromaticContact CD2-CZ 3.93Å; W82-F86 HydrophobicContact CD2-CZ 3.93Å; W82-F86 HydrophobicContact CE3-CE2 4.2Å; W82-F86 AromaticContact CE3-CZ 3.89Å; W82-F86 HydrophobicContact CE3-CZ 3.89Å; W82-F86 HydrophobicContact CG-CE2 4.23Å; W82-F86 AromaticContact CG-CZ 3.87Å; W82-F86 HydrophobicContact CG-CZ 3.87Å
83G96.7Very high93.6Very high23 Ų2346.8 Ų46.824%0.23721%0.212CC..THydrogen-bonded Turntrans63.4-155.9-176.700000113.8F79 K85 F105F79-G83 VanDerWaalsContact O-CA 3.28Å; F79-G83 WeakPolarHBondContact O-CA 3.26Å; F79-G83 PolarHBondContact O-N 3.27Å; G83-K85 VanDerWaalsContact C-N 3.27Å; G83-K85 PolarHBondContact O-N 3.11Å; G83-F105 VanDerWaalsContact O-CD1 3.26Å; G83-F105 WeakPolarHBondContact O-CD1 3.18Å; G83-F105 WeakPolarHBondContact O-CE1 3.27Å
84R96.6Very high93.2Very high147 Ų14744.5 Ų44.556%0.55520%0.198SC*.THydrogen-bonded Turntrans-88.334.1-174.8-60-169.9168.1158.1-7.6114.2F79 F86 F103 L104F79-R84 HydrophobicContact CE2-CG 3.85Å; R84-F86 VanDerWaalsContact C-N 3.29Å; R84-F86 PolarHBondContact O-N 3.2Å; R84-F103 PolarHBondContact NH2-O 3.44Å; R84-L104 WeakPolarHBondContact CG-O 3.34Å; R84-L104 PolarHBondContact NE-O 3.22Å
85K96.3Very high92.8Very high81 Ų8144.9 Ų44.935%0.35220%0.2SC..  trans-82.70.6-174.973.9177-172.5175.90114.1R2 W82 G83R2-K85 WeakPolarHBondContact CD-O 3.43Å; R2-K85 PolarHBondContact NE-O 2.98Å; R2-K85 PolarHBondContact NH1-O 2.86Å; R2-K85 PolarHBondContact NH2-O 2.75Å; W82-K85 HydrophobicContact CB-CD 4.46Å; W82-K85 WeakPolarHBondContact O-CG 3.44Å; G83-K85 VanDerWaalsContact C-N 3.27Å; G83-K85 PolarHBondContact O-N 3.11Å
86F97Very high92.2Very high9 Ų945.5 Ų45.54%0.03921%0.205CC..  trans-95.5140.2-173.2-58.4-74.8000111.1R2 L4 T34 W82 R84 L89 F105 A107R2-F86 HydrophobicContact CB-CD1 4.22Å; R2-F86 CarbonylContact O-C 3.59Å; R2-F86 WeakPolarHBondContact O-CA 3.26Å; L4-F86 HydrophobicContact CB-CB 4.26Å; L4-F86 HydrophobicContact CB-CD1 3.68Å; L4-F86 HydrophobicContact CB-CD2 3.8Å; L4-F86 HydrophobicContact CB-CE1 3.88Å; L4-F86 HydrophobicContact CB-CE2 3.98Å; L4-F86 HydrophobicContact CB-CG 3.63Å; L4-F86 HydrophobicContact CB-CZ 4.01Å; L4-F86 HydrophobicContact CD1-CE1 4.48Å; L4-F86 HydrophobicContact CD1-CE2 4.33Å; L4-F86 HydrophobicContact CD1-CZ 4.07Å; L4-F86 HydrophobicContact CD2-CD2 3.98Å; L4-F86 HydrophobicContact CD2-CE2 3.83Å; L4-F86 HydrophobicContact CD2-CZ 4.39Å; L4-F86 HydrophobicContact CG-CD2 4.44Å; L4-F86 HydrophobicContact CG-CE2 4.27Å; L4-F86 HydrophobicContact CG-CZ 4.38Å; T34-F86 HydrophobicContact CG2-CE1 4.13Å; T34-F86 HydrophobicContact CG2-CZ 4.02Å; W82-F86 HydrophobicContact CB-CE2 3.58Å; W82-F86 HydrophobicContact CB-CZ 3.68Å; W82-F86 HydrophobicContact CD2-CE2 4.43Å; W82-F86 AromaticContact CD2-CZ 3.93Å; W82-F86 HydrophobicContact CD2-CZ 3.93Å; W82-F86 HydrophobicContact CE3-CE2 4.2Å; W82-F86 AromaticContact CE3-CZ 3.89Å; W82-F86 HydrophobicContact CE3-CZ 3.89Å; W82-F86 HydrophobicContact CG-CE2 4.23Å; W82-F86 AromaticContact CG-CZ 3.87Å; W82-F86 HydrophobicContact CG-CZ 3.87Å; R84-F86 VanDerWaalsContact C-N 3.29Å; R84-F86 PolarHBondContact O-N 3.2Å; F86-L89 HydrophobicContact CB-CD2 4.03Å; F86-F105 AromaticContact CD2-CD1 3.79Å; F86-F105 HydrophobicContact CD2-CD1 3.79Å; F86-F105 AromaticContact CD2-CE1 3.93Å; F86-F105 HydrophobicContact CD2-CE1 3.93Å; F86-F105 HydrophobicContact CE2-CD1 4.27Å; F86-F105 AromaticContact CE2-CE1 3.93Å; F86-F105 HydrophobicContact CE2-CE1 3.93Å; F86-A107 WeakPolarHBondContact O-CB 3.33Å
87D95.2Very high91.8Very high56 Ų5641.4 Ų41.430%0.29919%0.187SC..SBendtrans-91.6-19.5179.6-42.7-50.5000111M1 R2 P108M1-D87 WeakPolarHBondContact CA-OD2 3.45Å; M1-D87 HydrophobicContact CB-CB 4.06Å; M1-D87 HydrophobicContact CG-CB 3.99Å; R2-D87 IonicContact CZ-OD1 3.58Å; R2-D87 PolarHBondContact N-OD2 3.05Å; R2-D87 IonicContact NE-OD1 3.37Å; R2-D87 IonicContact NE-OD2 3.36Å; R2-D87 IonicContact NH2-OD1 3.1Å; R2-D87 PolarHBondContact NH2-OD1 3.37Å; R2-D87 VanDerWaalsContact NH2-OD1 3.1Å; R2-D87 PolarHBondContact O-N 3.39Å; D87-P108 WeakPolarHBondContact O-CD 3.4Å
88L95.2Very high91.6Very high0 Ų036.6 Ų36.60%017%0.166CC..EExtended strand (participates in β ladder)trans-150.1145.9176.6-176.373000110.5R2 I3 L4 M26 P108 F110 M408R2-L88 PolarHBondContact O-N 3.25Å; I3-L88 WeakPolarHBondContact CA-O 3.22Å; I3-L88 HydrophobicContact CD1-CD2 4.14Å; I3-L88 HydrophobicContact CG1-CB 4.29Å; I3-L88 HydrophobicContact CG1-CD2 4.45Å; I3-L88 HydrophobicContact CG2-CD2 4.44Å; L4-L88 PolarHBondContact N-O 3.06Å; M26-L88 HydrophobicContact CE-CD2 4.2Å; L88-P108 HydrophobicContact CD1-CB 4Å; L88-F110 HydrophobicContact CD1-CB 4.17Å; L88-F110 HydrophobicContact CD2-CB 4.34Å; L88-F110 HydrophobicContact CG-CB 4.46Å; L88-M408 HydrophobicContact CD2-CE 3.78Å; L88-M408 HydrophobicContact CD2-SD 3.92Å
89L95.8Very high91.4Very high0 Ų037.4 Ų37.40%017%0.172CC..EExtended strand (participates in β ladder)trans-109.2127.1167.1-42.2-178.7000109.9L4 F86 L91 C101 F105 A107 P108 I109 F110L4-L89 HydrophobicContact CB-CD2 3.83Å; L4-L89 HydrophobicContact CD2-CD2 4.21Å; L4-L89 HydrophobicContact CG-CD2 4.49Å; L4-L89 CarbonylContact O-C 3.58Å; L4-L89 WeakPolarHBondContact O-CA 3.36Å; F86-L89 HydrophobicContact CB-CD2 4.03Å; L89-L91 HydrophobicContact CB-CD1 3.48Å; L89-L91 VanDerWaalsContact CB-CD1 3.48Å; L89-C101 HydrophobicContact CD1-CB 3.79Å; L89-F105 HydrophobicContact CD1-CB 3.89Å; L89-F105 HydrophobicContact CD1-CD2 3.91Å; L89-F105 HydrophobicContact CD1-CG 4.18Å; L89-F105 HydrophobicContact CD2-CB 3.94Å; L89-F105 HydrophobicContact CD2-CD2 4.28Å; L89-F105 HydrophobicContact CD2-CG 4.02Å; L89-F105 HydrophobicContact CG-CB 4.46Å; L89-A107 HydrophobicContact CD2-CB 4.07Å; L89-A107 HydrophobicContact CG-CB 3.98Å; L89-P108 PolarHBondContact N-O 3.45Å; L89-I109 HydrophobicContact CB-CG1 4.23Å; L89-I109 HydrophobicContact CD1-CD1 4.32Å; L89-I109 HydrophobicContact CD1-CG1 3.97Å; L89-I109 HydrophobicContact CG-CG1 4.37Å; L89-F110 PolarHBondContact O-N 3.39Å
90L95.2Very high91.1Very high0 Ų036.7 Ų36.70%017%0.171CC..EExtended strand (participates in β ladder)trans-100.3113.7171.8170.363.2000108.7I3 L4 A5 I6 F19 V22 A23 M26 F110 L112I3-L90 HydrophobicContact CG2-CB 4.01Å; L4-L90 PolarHBondContact O-N 2.98Å; A5-L90 CarbonylContact C-O 3.57Å; A5-L90 WeakPolarHBondContact CA-O 3.41Å; A5-L90 HydrophobicContact CB-CB 4.32Å; A5-L90 HydrophobicContact CB-CD2 4.19Å; I6-L90 PolarHBondContact N-O 3.27Å; F19-L90 HydrophobicContact CE2-CD2 4.14Å; F19-L90 HydrophobicContact CE2-CG 3.85Å; F19-L90 HydrophobicContact CZ-CD2 4.1Å; F19-L90 HydrophobicContact CZ-CG 4.08Å; V22-L90 HydrophobicContact CG1-CD1 4.28Å; V22-L90 HydrophobicContact CG1-CD2 4.12Å; A23-L90 HydrophobicContact CB-CD2 4.48Å; M26-L90 HydrophobicContact CE-CD1 4.35Å; M26-L90 HydrophobicContact CE-CD2 4.34Å; M26-L90 HydrophobicContact SD-CD2 3.95Å; L90-F110 WeakPolarHBondContact CA-O 3.44Å; L90-F110 HydrophobicContact CD1-CD1 3.52Å; L90-F110 HydrophobicContact CD1-CE1 4.03Å; L90-F110 HydrophobicContact CD1-CG 4.44Å; L90-L112 HydrophobicContact CD1-CD1 3.87Å; L90-L112 HydrophobicContact CD1-CG 4Å
91L92.7Very high91Very high2 Ų228.9 Ų28.91%0.0114%0.137CC..EExtended strand (participates in β ladder)trans-122.4155.2-178.7-82.469.6000110.7I6 L89 V98 C101 I109 F110 F111 L112I6-L91 HydrophobicContact CB-CD1 4.37Å; I6-L91 HydrophobicContact CB-CG 4.2Å; I6-L91 HydrophobicContact CD1-CD1 4.2Å; I6-L91 HydrophobicContact CG1-CD1 4.33Å; L89-L91 HydrophobicContact CB-CD1 3.48Å; L89-L91 VanDerWaalsContact CB-CD1 3.48Å; L91-V98 HydrophobicContact CD2-CG2 3.96Å; L91-C101 HydrophobicContact CD2-CB 4.25Å; L91-I109 HydrophobicContact CD1-CG2 4.26Å; L91-I109 HydrophobicContact CD2-CG2 4.43Å; L91-F110 PolarHBondContact N-O 3.33Å; L91-F111 HydrophobicContact CB-CD2 3.63Å; L91-F111 HydrophobicContact CB-CE2 4.09Å; L91-F111 CarbonylContact O-C 3.59Å; L91-F111 WeakPolarHBondContact O-CA 3.09Å; L91-L112 PolarHBondContact O-N 3.39Å
92D88.7Confident90.9Very high1 Ų124.4 Ų24.41%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-149.1177.1170.379.9-21.7000112.6H7 P8 F19 C94 L112 F114H7-D92 IonicContact CE1-OD1 3.52Å; H7-D92 IonicContact CE1-OD2 3.61Å; H7-D92 PolarHBondContact CE1-OD2 3.3Å; H7-D92 VanDerWaalsContact CE1-OD2 3.28Å; H7-D92 IonicContact CG-OD1 2.67Å; H7-D92 IonicContact ND1-OD1 2.8Å; H7-D92 PolarHBondContact ND1-OD1 3.17Å; H7-D92 IonicContact ND1-OD2 2.85Å; H7-D92 PolarHBondContact ND1-OD2 3.39Å; P8-D92 VanDerWaalsContact CD-OD1 3.31Å; P8-D92 WeakPolarHBondContact CD-OD1 3.27Å; F19-D92 HydrophobicContact CD2-CB 3.76Å; F19-D92 VanDerWaalsContact CD2-OD2 3.32Å; F19-D92 WeakPolarHBondContact CD2-OD2 3.39Å; F19-D92 HydrophobicContact CE2-CB 4.08Å; D92-C94 PolarHBondContact O-N 3.48Å; D92-L112 HydrophobicContact CB-CB 3.95Å; D92-F114 HydrophobicContact CB-CD2 4.39Å; D92-F114 HydrophobicContact CB-CE2 3.74Å; D92-F114 WeakPolarHBondContact OD2-CE2 3.26Å
93N77.2Confident90.8Very high50 Ų5030.6 Ų30.627%0.26715%0.149SC..SBendtrans59.8-28.5168.2-84.3-38.3000119H7 P8 R117H7-N93 PolarHBondContact CE1-ND2 3.38Å; H7-N93 VanDerWaalsContact CE1-ND2 3.26Å; P8-N93 HydrophobicContact CG-CB 3.56Å; N93-R117 PolarHBondContact O-NE 2.98Å; N93-R117 PolarHBondContact O-NH2 3.29Å
94C79.6Confident90.7Very high7 Ų729.8 Ų29.85%0.04714%0.139CC..  trans-140.295.5-174.4-162.90000110.7I71 D92 S96 T97I71-C94 HydrophobicContact CD1-CB 3.93Å; D92-C94 PolarHBondContact O-N 3.48Å; C94-S96 PolarHBondContact O-N 2.93Å; C94-S96 PolarHBondContact SG-OG 2.87Å; C94-T97 PolarHBondContact O-OG1 3.2Å; C94-T97 VanDerWaalsContact O-OG1 3.13Å
95V82.1Confident90.7Very high8 Ų823 Ų235%0.04811%0.113CC..G310 helixtrans-65.9-24.5-177.6-160.10000112.2T97 V98 F111 E139 C142 V143V95-T97 PolarHBondContact O-N 2.98Å; V95-V98 HydrophobicContact CG1-CG2 3.98Å; V95-V98 VanDerWaalsContact O-CB 3.27Å; V95-V98 WeakPolarHBondContact O-CB 3.35Å; V95-V98 WeakPolarHBondContact O-CG2 3.46Å; V95-V98 PolarHBondContact O-N 3.05Å; V95-F111 HydrophobicContact CB-CE2 4.37Å; V95-F111 HydrophobicContact CB-CZ 4.12Å; V95-F111 HydrophobicContact CG2-CE1 3.83Å; V95-F111 HydrophobicContact CG2-CE2 4.28Å; V95-F111 HydrophobicContact CG2-CZ 3.56Å; V95-E139 HydrophobicContact CB-CG 4.35Å; V95-E139 HydrophobicContact CG2-CG 4.12Å; V95-C142 HydrophobicContact CB-CB 4.1Å; V95-C142 HydrophobicContact CG1-CB 3.45Å; V95-C142 VanDerWaalsContact CG1-CB 3.45Å; V95-C142 VanDerWaalsContact O-CB 3.27Å; V95-C142 WeakPolarHBondContact O-CB 3.42Å; V95-V143 HydrophobicContact CB-CG1 4.49Å; V95-V143 HydrophobicContact CG1-CB 4.27Å; V95-V143 HydrophobicContact CG1-CG1 3.45Å; V95-V143 VanDerWaalsContact CG1-CG1 3.45Å; V95-V143 HydrophobicContact CG2-CG1 4.25Å
96S79.4Confident90.7Very high14 Ų1424.8 Ų24.810%0.09813%0.127CC..G310 helixtrans-56.5-24.5-176.170.20000114.8W67 C94 P99W67-S96 VanDerWaalsContact CE3-CB 3.46Å; W67-S96 PolarHBondContact O-OG 3.01Å; C94-S96 PolarHBondContact O-N 2.93Å; C94-S96 PolarHBondContact SG-OG 2.87Å; S96-P99 WeakPolarHBondContact O-CD 3.13Å
97T85.2Confident90.5Very high1 Ų124.5 Ų24.51%0.00613%0.126CC..G310 helixtrans-86-12.9178.453.10000114.3I71 I72 C94 V95 V100 C101I71-T97 HydrophobicContact CB-CG2 3.74Å; I71-T97 HydrophobicContact CD1-CG2 3.67Å; I71-T97 HydrophobicContact CG1-CG2 3.61Å; I71-T97 HydrophobicContact CG2-CG2 3.12Å; I72-T97 HydrophobicContact CG1-CG2 4.17Å; C94-T97 PolarHBondContact O-OG1 3.2Å; C94-T97 VanDerWaalsContact O-OG1 3.13Å; V95-T97 PolarHBondContact O-N 2.98Å; T97-V100 PolarHBondContact O-N 3.16Å; T97-V100 VanDerWaalsContact O-N 3.16Å; T97-C101 WeakPolarHBondContact O-CB 3.37Å; T97-C101 PolarHBondContact O-N 3.33Å; T97-C101 PolarHBondContact O-SG 2.9Å
98V89.1Confident90.3Very high0 Ų023.1 Ų23.10%012%0.12CC..Hα-helixtrans-55.7-49.4-177.2176.40000111L91 V95 V100 C101 K102 I109 F111 F145 C146L91-V98 HydrophobicContact CD2-CG2 3.96Å; V95-V98 HydrophobicContact CG1-CG2 3.98Å; V95-V98 VanDerWaalsContact O-CB 3.27Å; V95-V98 WeakPolarHBondContact O-CB 3.35Å; V95-V98 WeakPolarHBondContact O-CG2 3.46Å; V95-V98 PolarHBondContact O-N 3.05Å; V98-V100 VanDerWaalsContact C-N 3.34Å; V98-V100 PolarHBondContact O-N 2.87Å; V98-C101 PolarHBondContact O-N 3.19Å; V98-K102 VanDerWaalsContact O-CB 3.29Å; V98-K102 WeakPolarHBondContact O-CB 3.39Å; V98-K102 PolarHBondContact O-N 2.93Å; V98-I109 HydrophobicContact CB-CD1 4.45Å; V98-I109 HydrophobicContact CG1-CD1 3.59Å; V98-I109 HydrophobicContact CG1-CG2 4.29Å; V98-I109 WeakPolarHBondContact O-CD1 3.01Å; V98-F111 HydrophobicContact CG2-CD2 3.51Å; V98-F111 HydrophobicContact CG2-CE2 3.83Å; V98-F111 HydrophobicContact CG2-CG 4.44Å; V98-F145 HydrophobicContact CG1-CB 3.61Å; V98-C146 VanDerWaalsContact CG1-SG 3.52Å
99P90Very high90.2Very high18 Ų1823.1 Ų23.112%0.11712%0.12CC..Hα-helixtrans-62.9-38.7179.2-21.534000113S96 K102 F103 W141 C142 F145S96-P99 WeakPolarHBondContact O-CD 3.13Å; P99-K102 PolarHBondContact O-N 3.11Å; P99-F103 WeakPolarHBondContact O-CB 3.33Å; P99-F103 PolarHBondContact O-N 3.48Å; P99-W141 HydrophobicContact CB-CH2 3.94Å; P99-W141 HydrophobicContact CB-CZ3 4Å; P99-W141 HydrophobicContact CG-CE3 4.13Å; P99-W141 HydrophobicContact CG-CH2 3.96Å; P99-W141 HydrophobicContact CG-CZ3 3.53Å; P99-C142 HydrophobicContact CG-CB 4.1Å; P99-F145 HydrophobicContact CB-CD1 4.5Å; P99-F145 HydrophobicContact CB-CD2 4.19Å; P99-F145 HydrophobicContact CB-CE2 4.2Å; P99-F145 HydrophobicContact CB-CG 4.34Å; P99-F145 HydrophobicContact CB-CZ 4.36Å; P99-F145 HydrophobicContact CG-CD2 3.83Å; P99-F145 HydrophobicContact CG-CE2 4.03Å; P99-F145 HydrophobicContact CG-CG 4.31Å
100V92.2Very high90Very high32 Ų3223.1 Ų23.119%0.19412%0.12CC..Hα-helixtrans-66.5-47.9178.5177.60000110.4I72 A75 F76 T97 V98 K102 F103 L104I72-V100 HydrophobicContact CD1-CG2 4.35Å; I72-V100 HydrophobicContact CG1-CG2 4.37Å; I72-V100 HydrophobicContact CG2-CG1 4.39Å; A75-V100 HydrophobicContact CB-CG1 4.28Å; F76-V100 HydrophobicContact CE2-CG1 4.12Å; T97-V100 PolarHBondContact O-N 3.16Å; T97-V100 VanDerWaalsContact O-N 3.16Å; V98-V100 VanDerWaalsContact C-N 3.34Å; V98-V100 PolarHBondContact O-N 2.87Å; V100-K102 VanDerWaalsContact C-N 3.31Å; V100-K102 PolarHBondContact O-N 3.4Å; V100-F103 PolarHBondContact O-N 2.88Å; V100-L104 HydrophobicContact CG1-CD1 3.72Å; V100-L104 HydrophobicContact CG1-CG 4.19Å; V100-L104 WeakPolarHBondContact O-CB 3.42Å; V100-L104 VanDerWaalsContact O-CG 3.28Å; V100-L104 WeakPolarHBondContact O-CG 3.29Å; V100-L104 PolarHBondContact O-N 2.93Å
101C93.7Very high89.8Confident0 Ų023.3 Ų23.30%012%0.121CC..Hα-helixtrans-62.7-40.9177.8-65.90000110.9L89 L91 T97 V98 F103 L104 F105 I109L89-C101 HydrophobicContact CD1-CB 3.79Å; L91-C101 HydrophobicContact CD2-CB 4.25Å; T97-C101 WeakPolarHBondContact O-CB 3.37Å; T97-C101 PolarHBondContact O-N 3.33Å; T97-C101 PolarHBondContact O-SG 2.9Å; V98-C101 PolarHBondContact O-N 3.19Å; C101-F103 VanDerWaalsContact C-N 3.34Å; C101-F103 PolarHBondContact O-N 2.92Å; C101-L104 PolarHBondContact O-N 3.4Å; C101-F105 HydrophobicContact CB-CD2 4.39Å; C101-F105 WeakPolarHBondContact O-CD2 3.2Å; C101-F105 PolarHBondContact O-N 3.47Å; C101-I109 HydrophobicContact CB-CD1 4.39Å
102K93.3Very high89.6Confident41 Ų4123.2 Ų23.218%0.17812%0.12CC..Hα-helixtrans-58.9-46.5176.1-169.562.9174-173.60111.4V98 P99 V100 N106 A107 I109 F145 E147V98-K102 VanDerWaalsContact O-CB 3.29Å; V98-K102 WeakPolarHBondContact O-CB 3.39Å; V98-K102 PolarHBondContact O-N 2.93Å; P99-K102 PolarHBondContact O-N 3.11Å; V100-K102 VanDerWaalsContact C-N 3.31Å; V100-K102 PolarHBondContact O-N 3.4Å; K102-N106 VanDerWaalsContact O-CA 3.26Å; K102-N106 WeakPolarHBondContact O-CA 3.39Å; K102-N106 PolarHBondContact O-N 3.2Å; K102-A107 WeakPolarHBondContact CD-O 3.46Å; K102-A107 PolarHBondContact NZ-O 3.12Å; K102-I109 HydrophobicContact CB-CD1 3.82Å; K102-I109 HydrophobicContact CD-CD1 4.05Å; K102-I109 HydrophobicContact CD-CG1 4.34Å; K102-F145 HydrophobicContact CB-CD1 4.44Å; K102-F145 HydrophobicContact CG-CD1 4.26Å; K102-E147 WeakPolarHBondContact CE-OE1 3.49Å; K102-E147 IonicContact NZ-OE1 2.59Å; K102-E147 PolarHBondContact NZ-OE1 3.47Å; K102-E147 IonicContact NZ-OE2 2.84Å; K102-E147 PolarHBondContact NZ-OE2 3.14Å
103F95Very high89.2Confident152 Ų15223.2 Ų23.267%0.66712%0.121SC*.Hα-helixtrans-65.7-46.6178174.6-100.6000113R84 P99 V100 C101R84-F103 PolarHBondContact NH2-O 3.44Å; P99-F103 WeakPolarHBondContact O-CB 3.33Å; P99-F103 PolarHBondContact O-N 3.48Å; V100-F103 PolarHBondContact O-N 2.88Å; C101-F103 VanDerWaalsContact C-N 3.34Å; C101-F103 PolarHBondContact O-N 2.92Å
104L96.4Very high89.3Confident6 Ų621.6 Ų21.63%0.03111%0.111CC..Hα-helixtrans-67.4-51.9-176.3-70.5178.3000111.3A75 F76 F79 R84 V100 C101A75-L104 HydrophobicContact CB-CD1 4.21Å; F76-L104 HydrophobicContact CD1-CD1 4.04Å; F76-L104 HydrophobicContact CD1-CD2 4.08Å; F76-L104 HydrophobicContact CD2-CD1 4.47Å; F76-L104 HydrophobicContact CE1-CD1 4.24Å; F76-L104 HydrophobicContact CE1-CD2 3.79Å; F76-L104 HydrophobicContact CG-CD1 4.16Å; F76-L104 HydrophobicContact CZ-CD2 4.43Å; F79-L104 HydrophobicContact CB-CB 4.17Å; F79-L104 HydrophobicContact CB-CD1 4.02Å; F79-L104 HydrophobicContact CB-CD2 4.48Å; F79-L104 HydrophobicContact CB-CG 4.46Å; F79-L104 HydrophobicContact CD1-CD2 4Å; F79-L104 HydrophobicContact CD2-CB 3.83Å; F79-L104 HydrophobicContact CD2-CD2 4.46Å; F79-L104 WeakPolarHBondContact CD2-O 3.5Å; F79-L104 HydrophobicContact CE1-CD2 4.37Å; F79-L104 HydrophobicContact CE2-CB 4.45Å; F79-L104 WeakPolarHBondContact CE2-O 3.29Å; F79-L104 HydrophobicContact CG-CB 4Å; F79-L104 HydrophobicContact CG-CD1 4.45Å; F79-L104 HydrophobicContact CG-CD2 4.05Å; F79-L104 HydrophobicContact CG-CG 4.39Å; R84-L104 WeakPolarHBondContact CG-O 3.34Å; R84-L104 PolarHBondContact NE-O 3.22Å; V100-L104 HydrophobicContact CG1-CD1 3.72Å; V100-L104 HydrophobicContact CG1-CG 4.19Å; V100-L104 WeakPolarHBondContact O-CB 3.42Å; V100-L104 VanDerWaalsContact O-CG 3.28Å; V100-L104 WeakPolarHBondContact O-CG 3.29Å; V100-L104 PolarHBondContact O-N 2.93Å; C101-L104 PolarHBondContact O-N 3.4Å
105F96.5Very high88.9Confident4 Ų423.4 Ų23.42%0.01812%0.117CC..Hα-helixtrans-92.4-23.7-171.1-63.5-78.2000114L4 A78 F79 G83 F86 L89 C101 A107L4-F105 HydrophobicContact CD2-CD1 4.2Å; L4-F105 HydrophobicContact CD2-CD2 4.29Å; L4-F105 HydrophobicContact CD2-CE1 3.62Å; L4-F105 HydrophobicContact CD2-CE2 3.73Å; L4-F105 HydrophobicContact CD2-CZ 3.35Å; A78-F105 HydrophobicContact CB-CZ 4.03Å; F79-F105 HydrophobicContact CB-CE1 4.12Å; F79-F105 HydrophobicContact CB-CE2 4.37Å; F79-F105 HydrophobicContact CB-CZ 3.8Å; F79-F105 HydrophobicContact CD2-CD1 4.31Å; F79-F105 HydrophobicContact CD2-CE1 4.2Å; G83-F105 VanDerWaalsContact O-CD1 3.26Å; G83-F105 WeakPolarHBondContact O-CD1 3.18Å; G83-F105 WeakPolarHBondContact O-CE1 3.27Å; F86-F105 AromaticContact CD2-CD1 3.79Å; F86-F105 HydrophobicContact CD2-CD1 3.79Å; F86-F105 AromaticContact CD2-CE1 3.93Å; F86-F105 HydrophobicContact CD2-CE1 3.93Å; F86-F105 HydrophobicContact CE2-CD1 4.27Å; F86-F105 AromaticContact CE2-CE1 3.93Å; F86-F105 HydrophobicContact CE2-CE1 3.93Å; L89-F105 HydrophobicContact CD1-CB 3.89Å; L89-F105 HydrophobicContact CD1-CD2 3.91Å; L89-F105 HydrophobicContact CD1-CG 4.18Å; L89-F105 HydrophobicContact CD2-CB 3.94Å; L89-F105 HydrophobicContact CD2-CD2 4.28Å; L89-F105 HydrophobicContact CD2-CG 4.02Å; L89-F105 HydrophobicContact CG-CB 4.46Å; C101-F105 HydrophobicContact CB-CD2 4.39Å; C101-F105 WeakPolarHBondContact O-CD2 3.2Å; C101-F105 PolarHBondContact O-N 3.47Å; F105-A107 HydrophobicContact CB-CB 4.42Å; F105-A107 PolarHBondContact O-N 2.93Å
106N94.9Very high88.3Confident120 Ų12023 Ų2364%0.64212%0.115SC*.  trans52.438.6-174.3-166.850.4000113.1K102K102-N106 VanDerWaalsContact O-CA 3.26Å; K102-N106 WeakPolarHBondContact O-CA 3.39Å; K102-N106 PolarHBondContact O-N 3.2Å
107A93.4Very high87.7Confident3 Ų324.5 Ų24.53%0.02512%0.118CC..  trans-115156.4178.400000110.6F86 L89 K102 F105F86-A107 WeakPolarHBondContact O-CB 3.33Å; L89-A107 HydrophobicContact CD2-CB 4.07Å; L89-A107 HydrophobicContact CG-CB 3.98Å; K102-A107 WeakPolarHBondContact CD-O 3.46Å; K102-A107 PolarHBondContact NZ-O 3.12Å; F105-A107 HydrophobicContact CB-CB 4.42Å; F105-A107 PolarHBondContact O-N 2.93Å
108P92Very high86.7Confident26 Ų2624.7 Ų24.717%0.16912%0.12CC..  trans-55.7144167.2-22.131.4000112.2D87 L88 L89 E147 F411D87-P108 WeakPolarHBondContact O-CD 3.4Å; L88-P108 HydrophobicContact CD1-CB 4Å; L89-P108 PolarHBondContact N-O 3.45Å; P108-E147 VanDerWaalsContact CA-OE2 3.23Å; P108-E147 WeakPolarHBondContact CA-OE2 3.27Å; P108-E147 HydrophobicContact CB-CB 4.28Å; P108-E147 HydrophobicContact CB-CG 4Å; P108-F411 HydrophobicContact CB-CD2 4.42Å; P108-F411 HydrophobicContact CB-CE2 3.7Å; P108-F411 HydrophobicContact CB-CZ 4.29Å; P108-F411 HydrophobicContact CG-CD2 4.38Å; P108-F411 HydrophobicContact CG-CE2 3.26Å; P108-F411 HydrophobicContact CG-CZ 3.55Å
109I92Very high85.7Confident0 Ų027.3 Ų27.30%013%0.134CC..EExtended strand (participates in β ladder)trans-115.5122.3-178.9-61.6179.1000109.7L89 L91 V98 C101 K102 F111 E147 F148L89-I109 HydrophobicContact CB-CG1 4.23Å; L89-I109 HydrophobicContact CD1-CD1 4.32Å; L89-I109 HydrophobicContact CD1-CG1 3.97Å; L89-I109 HydrophobicContact CG-CG1 4.37Å; L91-I109 HydrophobicContact CD1-CG2 4.26Å; L91-I109 HydrophobicContact CD2-CG2 4.43Å; V98-I109 HydrophobicContact CB-CD1 4.45Å; V98-I109 HydrophobicContact CG1-CD1 3.59Å; V98-I109 HydrophobicContact CG1-CG2 4.29Å; V98-I109 WeakPolarHBondContact O-CD1 3.01Å; C101-I109 HydrophobicContact CB-CD1 4.39Å; K102-I109 HydrophobicContact CB-CD1 3.82Å; K102-I109 HydrophobicContact CD-CD1 4.05Å; K102-I109 HydrophobicContact CD-CG1 4.34Å; I109-F111 HydrophobicContact CG2-CB 4.31Å; I109-E147 PolarHBondContact N-OE2 3.45Å; I109-E147 PolarHBondContact O-N 3.41Å; I109-F148 PolarHBondContact O-N 2.96Å
110F91.8Very high84.6Confident0 Ų031.8 Ų31.80%016%0.156CC..EExtended strand (participates in β ladder)trans-99.4106.9166-172.6-75.5000108.3L88 L89 L90 L91 L112 F148 P150 F196 L404 I407 M408L88-F110 HydrophobicContact CD1-CB 4.17Å; L88-F110 HydrophobicContact CD2-CB 4.34Å; L88-F110 HydrophobicContact CG-CB 4.46Å; L89-F110 PolarHBondContact O-N 3.39Å; L90-F110 WeakPolarHBondContact CA-O 3.44Å; L90-F110 HydrophobicContact CD1-CD1 3.52Å; L90-F110 HydrophobicContact CD1-CE1 4.03Å; L90-F110 HydrophobicContact CD1-CG 4.44Å; L91-F110 PolarHBondContact N-O 3.33Å; F110-L112 HydrophobicContact CD1-CD2 4.44Å; F110-L112 HydrophobicContact CD1-CG 4.27Å; F110-L112 HydrophobicContact CE1-CD2 3.58Å; F110-L112 HydrophobicContact CE1-CG 3.87Å; F110-L112 HydrophobicContact CZ-CD2 4.42Å; F110-F148 HydrophobicContact CB-CB 4.42Å; F110-F148 HydrophobicContact CB-CD2 4.47Å; F110-F148 HydrophobicContact CD2-CB 3.78Å; F110-F148 HydrophobicContact CD2-CD2 4.2Å; F110-F148 HydrophobicContact CD2-CG 4.09Å; F110-F148 HydrophobicContact CE2-CB 4.45Å; F110-F148 HydrophobicContact CG-CB 4.23Å; F110-P150 HydrophobicContact CD1-CG 4.05Å; F110-P150 HydrophobicContact CE1-CG 3.5Å; F110-P150 VanDerWaalsContact CE1-CG 3.5Å; F110-P150 HydrophobicContact CE2-CG 4.14Å; F110-P150 HydrophobicContact CZ-CB 4.36Å; F110-P150 HydrophobicContact CZ-CG 3.56Å; F110-F196 HydrophobicContact CZ-CE1 4.46Å; F110-L404 HydrophobicContact CE2-CD1 4.08Å; F110-L404 HydrophobicContact CZ-CD1 3.9Å; F110-I407 HydrophobicContact CD2-CG2 4.4Å; F110-I407 HydrophobicContact CE2-CG2 3.71Å; F110-M408 HydrophobicContact CD2-SD 4.38Å
111F90.4Very high83.2Confident4 Ų432.1 Ų32.12%0.01816%0.157CC..EExtended strand (participates in β ladder)trans-105.7109.1-177.7-169.6-82.5000110.7L91 V95 V98 I109 F113 C146 F148 L149 P150L91-F111 HydrophobicContact CB-CD2 3.63Å; L91-F111 HydrophobicContact CB-CE2 4.09Å; L91-F111 CarbonylContact O-C 3.59Å; L91-F111 WeakPolarHBondContact O-CA 3.09Å; V95-F111 HydrophobicContact CB-CE2 4.37Å; V95-F111 HydrophobicContact CB-CZ 4.12Å; V95-F111 HydrophobicContact CG2-CE1 3.83Å; V95-F111 HydrophobicContact CG2-CE2 4.28Å; V95-F111 HydrophobicContact CG2-CZ 3.56Å; V98-F111 HydrophobicContact CG2-CD2 3.51Å; V98-F111 HydrophobicContact CG2-CE2 3.83Å; V98-F111 HydrophobicContact CG2-CG 4.44Å; I109-F111 HydrophobicContact CG2-CB 4.31Å; F111-F113 HydrophobicContact CD1-CB 4.28Å; F111-F113 HydrophobicContact CD1-CD2 4.23Å; F111-F113 HydrophobicContact CE1-CD2 4Å; F111-F113 PolarHBondContact O-N 3.14Å; F111-F113 VanDerWaalsContact O-N 3.08Å; F111-C146 HydrophobicContact CB-CB 4.34Å; F111-C146 VanDerWaalsContact CB-SG 3.53Å; F111-F148 PolarHBondContact N-O 2.93Å; F111-L149 HydrophobicContact CB-CD1 3.9Å; F111-L149 HydrophobicContact CD1-CD1 3.6Å; F111-L149 HydrophobicContact CG-CD1 4.08Å; F111-P150 VanDerWaalsContact O-CD 3.24Å; F111-P150 WeakPolarHBondContact O-CD 3.21Å
112L88.7Confident81.6Confident0 Ų038.5 Ų38.50%019%0.187CC..EExtended strand (participates in β ladder)trans-68.6103.3173.4-74171.8000109.9F19 V22 L90 L91 D92 F110 F114 P150 F196F19-L112 HydrophobicContact CD2-CD1 4.09Å; V22-L112 HydrophobicContact CB-CD1 4.13Å; V22-L112 HydrophobicContact CG1-CD1 4.17Å; V22-L112 HydrophobicContact CG2-CD1 4.01Å; V22-L112 HydrophobicContact CG2-CD2 4.28Å; L90-L112 HydrophobicContact CD1-CD1 3.87Å; L90-L112 HydrophobicContact CD1-CG 4Å; L91-L112 PolarHBondContact O-N 3.39Å; D92-L112 HydrophobicContact CB-CB 3.95Å; F110-L112 HydrophobicContact CD1-CD2 4.44Å; F110-L112 HydrophobicContact CD1-CG 4.27Å; F110-L112 HydrophobicContact CE1-CD2 3.58Å; F110-L112 HydrophobicContact CE1-CG 3.87Å; F110-L112 HydrophobicContact CZ-CD2 4.42Å; L112-F114 HydrophobicContact CB-CE2 4.37Å; L112-F114 HydrophobicContact CB-CZ 4.42Å; L112-F114 PolarHBondContact O-N 3.19Å; L112-P150 HydrophobicContact CD2-CG 4.1Å; L112-F196 HydrophobicContact CD2-CD1 3.79Å; L112-F196 HydrophobicContact CD2-CE1 3.83Å
113F81.5Confident80.1Confident2 Ų239.8 Ų39.81%0.00920%0.201CC..BIsolated β-bridgetrans-89.3109.1-176.3-167.1-90.2000111.2F111 P116 L149 P150 T151 I152 C160 L163F111-F113 HydrophobicContact CD1-CB 4.28Å; F111-F113 HydrophobicContact CD1-CD2 4.23Å; F111-F113 HydrophobicContact CE1-CD2 4Å; F111-F113 PolarHBondContact O-N 3.14Å; F111-F113 VanDerWaalsContact O-N 3.08Å; F113-P116 HydrophobicContact CE1-CG 4.39Å; F113-P116 HydrophobicContact CZ-CG 3.86Å; F113-L149 HydrophobicContact CB-CD1 3.96Å; F113-L149 HydrophobicContact CB-CG 4.22Å; F113-L149 HydrophobicContact CD2-CD1 3.94Å; F113-L149 HydrophobicContact CD2-CG 4.49Å; F113-L149 HydrophobicContact CG-CD1 4.31Å; F113-P150 WeakPolarHBondContact CB-O 3.33Å; F113-P150 PolarHBondContact N-O 3.44Å; F113-T151 HydrophobicContact CB-CG2 4.4Å; F113-T151 HydrophobicContact CD1-CG2 4.25Å; F113-I152 PolarHBondContact O-N 3.1Å; F113-C160 HydrophobicContact CD1-CB 4.06Å; F113-C160 HydrophobicContact CE1-CB 3.75Å; F113-C160 HydrophobicContact CZ-CB 4.15Å; F113-L163 HydrophobicContact CE2-CD1 3.92Å; F113-L163 HydrophobicContact CZ-CD1 3.68Å
114F77.4Confident78.9Confident16 Ų1640 Ų407%0.0720%0.204CC..  trans-91.8-63.6174.7-59.9-71000112.1N18 D92 L112 I152 S156N18-F114 HydrophobicContact CB-CE1 3.99Å; N18-F114 HydrophobicContact CB-CZ 4.12Å; N18-F114 WeakPolarHBondContact ND2-CE1 3.48Å; N18-F114 WeakPolarHBondContact ND2-CZ 3.49Å; D92-F114 HydrophobicContact CB-CD2 4.39Å; D92-F114 HydrophobicContact CB-CE2 3.74Å; D92-F114 WeakPolarHBondContact OD2-CE2 3.26Å; L112-F114 HydrophobicContact CB-CE2 4.37Å; L112-F114 HydrophobicContact CB-CZ 4.42Å; L112-F114 PolarHBondContact O-N 3.19Å; F114-I152 HydrophobicContact CB-CD1 4.42Å; F114-I152 HydrophobicContact CD1-CD1 3.66Å; F114-I152 HydrophobicContact CD1-CG1 4.3Å; F114-I152 HydrophobicContact CD1-CG2 3.76Å; F114-I152 HydrophobicContact CE1-CD1 4.5Å; F114-I152 HydrophobicContact CE1-CG2 3.89Å; F114-S156 VanDerWaalsContact O-CB 3.27Å; F114-S156 WeakPolarHBondContact O-CB 3.42Å
115Y72Confident78.2Confident45 Ų4543.1 Ų43.118%0.17622%0.221CC..  trans-157.2140.6-173.8-164.4-105.9000111.2R117 L119 I120 F155 L159 H323Y115-R117 PolarHBondContact O-N 2.98Å; Y115-L119 HydrophobicContact CD1-CB 4.41Å; Y115-L119 HydrophobicContact CE1-CB 3.46Å; Y115-L119 VanDerWaalsContact CE1-CB 3.46Å; Y115-L119 HydrophobicContact CE2-CD1 4.49Å; Y115-L119 WeakPolarHBondContact OH-CB 3.5Å; Y115-I120 HydrophobicContact CD1-CD1 4.15Å; Y115-I120 HydrophobicContact CD1-CG1 3.66Å; Y115-I120 HydrophobicContact CE1-CG1 3.72Å; Y115-F155 HydrophobicContact CE2-CE1 4.15Å; Y115-F155 HydrophobicContact CE2-CZ 4.41Å; Y115-L159 HydrophobicContact CD2-CD1 3.27Å; Y115-L159 HydrophobicContact CE2-CD1 3.16Å; Y115-L159 HydrophobicContact CG-CD1 4.44Å; Y115-H323 VanDerWaalsContact CB-CE1 3.42Å; Y115-H323 WeakPolarHBondContact CB-CE1 3.08Å; Y115-H323 WeakPolarHBondContact CB-NE2 3.34Å; Y115-H323 AromaticContact CD1-CE1 3.74Å; Y115-H323 AromaticContact CD2-CE1 2.96Å; Y115-H323 WeakPolarHBondContact CD2-CE1 3.5Å; Y115-H323 AromaticContact CD2-ND1 3.05Å; Y115-H323 WeakPolarHBondContact CD2-ND1 3.47Å; Y115-H323 AromaticContact CD2-NE2 3.88Å; Y115-H323 AromaticContact CE2-CE1 3.46Å; Y115-H323 VanDerWaalsContact CE2-CE1 3.46Å; Y115-H323 WeakPolarHBondContact CE2-CE1 3.36Å; Y115-H323 AromaticContact CE2-ND1 3.64Å; Y115-H323 AromaticContact CG-CE1 3.09Å; Y115-H323 AromaticContact CG-ND1 3.6Å; Y115-H323 AromaticContact CG-NE2 3.6Å
116P69.2Low77.5Confident0 Ų048.2 Ų48.20%025%0.253CS..  trans-61.5129.6170.3-14.825.2000111.3F113 S118 L119 L159 L163F113-P116 HydrophobicContact CE1-CG 4.39Å; F113-P116 HydrophobicContact CZ-CG 3.86Å; P116-S118 WeakPolarHBondContact CB-OG 3.26Å; P116-S118 PolarHBondContact O-N 3.5Å; P116-L119 HydrophobicContact CB-CB 4.45Å; P116-L119 HydrophobicContact CB-CD1 4.19Å; P116-L119 HydrophobicContact CB-CG 4.03Å; P116-L119 HydrophobicContact CG-CD1 3.71Å; P116-L119 HydrophobicContact CG-CG 4.11Å; P116-L119 PolarHBondContact O-N 2.7Å; P116-L159 HydrophobicContact CG-CB 3.88Å; P116-L163 HydrophobicContact CB-CD1 3.77Å; P116-L163 HydrophobicContact CB-CD2 4.04Å; P116-L163 HydrophobicContact CB-CG 4.06Å; P116-L163 HydrophobicContact CG-CD1 3.78Å; P116-L163 HydrophobicContact CG-CD2 4.41Å; P116-L163 HydrophobicContact CG-CG 3.96Å
117R68.1Low76.9Confident44 Ų4447.8 Ų47.817%0.16625%0.254CS..G310 helixtrans-68.4-27.5172.6-60.9-171.5177.5-152.7-3.5111.7N93 Y115 L119 I120 V121 E139N93-R117 PolarHBondContact O-NE 2.98Å; N93-R117 PolarHBondContact O-NH2 3.29Å; Y115-R117 PolarHBondContact O-N 2.98Å; R117-L119 PolarHBondContact O-N 3.42Å; R117-L119 VanDerWaalsContact O-N 3.07Å; R117-I120 HydrophobicContact CG-CD1 4.44Å; R117-I120 WeakPolarHBondContact O-CB 3.02Å; R117-I120 PolarHBondContact O-N 3.14Å; R117-V121 PolarHBondContact O-N 2.94Å; R117-E139 WeakPolarHBondContact CA-OE1 3.44Å; R117-E139 WeakPolarHBondContact CB-OE1 3.38Å; R117-E139 PolarHBondContact N-OE1 2.84Å
118S63.9Low76.1Confident6 Ų650.1 Ų50.14%0.04226%0.264CS..G310 helixtrans-55.5-23.117453.50000114.1P116 A132 E139P116-S118 WeakPolarHBondContact CB-OG 3.26Å; P116-S118 PolarHBondContact O-N 3.5Å; S118-A132 WeakPolarHBondContact CB-O 3.43Å; S118-E139 WeakPolarHBondContact CB-OE2 3.19Å; S118-E139 PolarHBondContact N-OE1 2.89Å; S118-E139 PolarHBondContact N-OE2 3.17Å; S118-E139 PolarHBondContact OG-OE2 3.36Å
119L66.5Low75.3Confident55 Ų5551.8 Ų51.829%0.28827%0.272SS..G310 helixtrans-92.5-11.2176.1-63.1-177.9000113.9Y115 P116 R117 L159Y115-L119 HydrophobicContact CD1-CB 4.41Å; Y115-L119 HydrophobicContact CE1-CB 3.46Å; Y115-L119 VanDerWaalsContact CE1-CB 3.46Å; Y115-L119 HydrophobicContact CE2-CD1 4.49Å; Y115-L119 WeakPolarHBondContact OH-CB 3.5Å; P116-L119 HydrophobicContact CB-CB 4.45Å; P116-L119 HydrophobicContact CB-CD1 4.19Å; P116-L119 HydrophobicContact CB-CG 4.03Å; P116-L119 HydrophobicContact CG-CD1 3.71Å; P116-L119 HydrophobicContact CG-CG 4.11Å; P116-L119 PolarHBondContact O-N 2.7Å; R117-L119 PolarHBondContact O-N 3.42Å; R117-L119 VanDerWaalsContact O-N 3.07Å; L119-L159 HydrophobicContact CD1-CB 4.28Å; L119-L159 HydrophobicContact CD1-CD1 4.35Å; L119-L159 HydrophobicContact CD1-CD2 3.59Å; L119-L159 HydrophobicContact CD1-CG 4.27Å
120I67.3Low74.8Confident112 Ų11256.5 Ų56.557%0.57430%0.296SS*.THydrogen-bonded Turntrans-79.3-31173.5-56.9176.4000110.3Y115 R117 E122Y115-I120 HydrophobicContact CD1-CD1 4.15Å; Y115-I120 HydrophobicContact CD1-CG1 3.66Å; Y115-I120 HydrophobicContact CE1-CG1 3.72Å; R117-I120 HydrophobicContact CG-CD1 4.44Å; R117-I120 WeakPolarHBondContact O-CB 3.02Å; R117-I120 PolarHBondContact O-N 3.14Å; I120-E122 PolarHBondContact O-N 3.16Å
121V63.8Low74.1Confident38 Ų3860.7 Ų60.723%0.2331%0.312CS..SBendtrans-63.4110178.81780000109.7R117 S123 Q128 Y131 A132 L135R117-V121 PolarHBondContact O-N 2.94Å; V121-S123 PolarHBondContact O-N 2.91Å; V121-Q128 HydrophobicContact CG1-CB 4.43Å; V121-Y131 HydrophobicContact CG1-CD1 3.98Å; V121-Y131 HydrophobicContact CG2-CD1 4.2Å; V121-Y131 HydrophobicContact CG2-CE1 4.08Å; V121-A132 HydrophobicContact CB-CB 4.17Å; V121-A132 HydrophobicContact CG1-CB 4.2Å; V121-L135 HydrophobicContact CG2-CD1 3.67Å
122E60.1Low73.3Confident134 Ų13461.2 Ų61.263%0.62632%0.317SS*.  trans-57.1121.6173.9-66.9179164.700109.6I120 E124 Q128I120-E122 PolarHBondContact O-N 3.16Å; E122-E124 VanDerWaalsContact C-N 3.32Å; E122-E124 HydrophobicContact CB-CG 4.15Å; E122-E124 PolarHBondContact O-N 3.32Å; E122-Q128 VanDerWaalsContact O-CB 3.24Å; E122-Q128 WeakPolarHBondContact O-CB 3.29Å; E122-Q128 PolarHBondContact O-OE1 3.29Å; E122-Q128 VanDerWaalsContact O-OE1 3.14Å
123S60.9Low72.7Confident68 Ų6867.4 Ų67.448%0.47634%0.344SS..  trans-96.550.1-173.970.10000111.6V121 N129V121-S123 PolarHBondContact O-N 2.91Å; S123-N129 WeakPolarHBondContact CB-OD1 3.28Å; S123-N129 PolarHBondContact O-ND2 3.16Å; S123-N129 VanDerWaalsContact O-ND2 3.14Å
124E70.8Confident72.6Confident156 Ų15672.5 Ų72.573%0.72937%0.368SS*.  trans-73.8-30.3-173.6-53.6-167139.200112.4E122E122-E124 VanDerWaalsContact C-N 3.32Å; E122-E124 HydrophobicContact CB-CG 4.15Å; E122-E124 PolarHBondContact O-N 3.32Å
125N81Confident72.5Confident73 Ų7372 Ų7239%0.3937%0.366SS..SBendtrans-129.5169.5-179.866.553.3000113.1V127 Q128 N129N125-V127 VanDerWaalsContact C-N 3.27Å; N125-V127 PolarHBondContact O-N 2.91Å; N125-V127 WeakPolarHBondContact OD1-CB 3.4Å; N125-V127 PolarHBondContact OD1-N 2.94Å; N125-V127 VanDerWaalsContact OD1-N 3.1Å; N125-Q128 PolarHBondContact ND2-OE1 2.93Å; N125-Q128 PolarHBondContact O-N 3.14Å; N125-Q128 WeakPolarHBondContact OD1-CG 3.16Å; N125-Q128 PolarHBondContact OD1-N 3.29Å; N125-N129 WeakPolarHBondContact O-CB 3.36Å; N125-N129 PolarHBondContact O-N 2.94Å; N125-N129 PolarHBondContact O-ND2 2.51Å
126V82.7Confident72.6Confident111 Ų11170.1 Ų70.167%0.67336%0.359SS*.Hα-helixtrans-60.6-36.9-176.6178.40000111.9N129 I130V126-N129 WeakPolarHBondContact O-CB 3.19Å; V126-N129 PolarHBondContact O-N 2.79Å; V126-I130 HydrophobicContact CG1-CD1 3.97Å; V126-I130 HydrophobicContact CG1-CG1 4.49Å; V126-I130 WeakPolarHBondContact O-CG1 3.39Å; V126-I130 PolarHBondContact O-N 3.38Å
127V80.5Confident72.9Confident110 Ų11078.1 Ų78.167%0.66739%0.39SS*.Hα-helixtrans-67-47.9-179.3178.60000110.7N125 N129 I130 Y131N125-V127 VanDerWaalsContact C-N 3.27Å; N125-V127 PolarHBondContact O-N 2.91Å; N125-V127 WeakPolarHBondContact OD1-CB 3.4Å; N125-V127 PolarHBondContact OD1-N 2.94Å; N125-V127 VanDerWaalsContact OD1-N 3.1Å; V127-N129 VanDerWaalsContact C-N 3.28Å; V127-N129 PolarHBondContact O-N 3.26Å; V127-I130 PolarHBondContact O-N 2.94Å; V127-Y131 WeakPolarHBondContact O-CB 3.39Å; V127-Y131 PolarHBondContact O-N 3.33Å
128Q77.6Confident73.4Confident52 Ų5277.5 Ų77.524%0.24339%0.389CS..Hα-helixtrans-61.4-37.9175.1-72.4166.4-31.400111.8V121 E122 N125 Y131 A132V121-Q128 HydrophobicContact CG1-CB 4.43Å; E122-Q128 VanDerWaalsContact O-CB 3.24Å; E122-Q128 WeakPolarHBondContact O-CB 3.29Å; E122-Q128 PolarHBondContact O-OE1 3.29Å; E122-Q128 VanDerWaalsContact O-OE1 3.14Å; N125-Q128 PolarHBondContact ND2-OE1 2.93Å; N125-Q128 PolarHBondContact O-N 3.14Å; N125-Q128 WeakPolarHBondContact OD1-CG 3.16Å; N125-Q128 PolarHBondContact OD1-N 3.29Å; Q128-Y131 PolarHBondContact O-N 3.03Å; Q128-A132 VanDerWaalsContact O-CB 3.26Å; Q128-A132 WeakPolarHBondContact O-CB 3.48Å; Q128-A132 PolarHBondContact O-N 3.11Å
129N75.4Confident74.1Confident62 Ų6277.4 Ų77.433%0.33239%0.388SS..Hα-helixtrans-63.1-41.3174.3-86-72.9000112.8S123 N125 V126 V127 K133S123-N129 WeakPolarHBondContact CB-OD1 3.28Å; S123-N129 PolarHBondContact O-ND2 3.16Å; S123-N129 VanDerWaalsContact O-ND2 3.14Å; N125-N129 WeakPolarHBondContact O-CB 3.36Å; N125-N129 PolarHBondContact O-N 2.94Å; N125-N129 PolarHBondContact O-ND2 2.51Å; V126-N129 WeakPolarHBondContact O-CB 3.19Å; V126-N129 PolarHBondContact O-N 2.79Å; V127-N129 VanDerWaalsContact C-N 3.28Å; V127-N129 PolarHBondContact O-N 3.26Å; N129-K133 VanDerWaalsContact O-CG 3.3Å; N129-K133 WeakPolarHBondContact O-CG 3.43Å; N129-K133 PolarHBondContact O-N 3.21Å; N129-K133 VanDerWaalsContact O-N 3.16Å
130I80.5Confident74.5Confident98 Ų9875.3 Ų75.350%0.50338%0.38SS..Hα-helixtrans-65.9-47.7175.5-69.5166.9000109.5V126 V127 A132 K133 E134V126-I130 HydrophobicContact CG1-CD1 3.97Å; V126-I130 HydrophobicContact CG1-CG1 4.49Å; V126-I130 WeakPolarHBondContact O-CG1 3.39Å; V126-I130 PolarHBondContact O-N 3.38Å; V127-I130 PolarHBondContact O-N 2.94Å; I130-A132 PolarHBondContact O-N 3.41Å; I130-K133 WeakPolarHBondContact O-CB 3.31Å; I130-K133 PolarHBondContact O-N 3.3Å; I130-K133 VanDerWaalsContact O-N 3.15Å; I130-E134 PolarHBondContact O-N 2.93Å
131Y77.2Confident75.1Confident89 Ų8975.7 Ų75.735%0.34938%0.375SS..Hα-helixtrans-57.4-50.3177.5-177.9-119.4000111.4G65 V121 V127 Q128 K133 E134 L135G65-Y131 PolarHBondContact O-OH 2.92Å; V121-Y131 HydrophobicContact CG1-CD1 3.98Å; V121-Y131 HydrophobicContact CG2-CD1 4.2Å; V121-Y131 HydrophobicContact CG2-CE1 4.08Å; V127-Y131 WeakPolarHBondContact O-CB 3.39Å; V127-Y131 PolarHBondContact O-N 3.33Å; Q128-Y131 PolarHBondContact O-N 3.03Å; Y131-K133 VanDerWaalsContact C-N 3.26Å; Y131-K133 PolarHBondContact O-N 2.72Å; Y131-E134 WeakPolarHBondContact O-CB 3.41Å; Y131-E134 PolarHBondContact O-N 3.1Å; Y131-E134 VanDerWaalsContact O-N 3.11Å; Y131-L135 HydrophobicContact CD1-CD1 4.11Å; Y131-L135 HydrophobicContact CD1-CG 4.28Å; Y131-L135 HydrophobicContact CD2-CD2 4.05Å; Y131-L135 HydrophobicContact CD2-CG 4.34Å; Y131-L135 HydrophobicContact CE1-CD1 3.61Å; Y131-L135 HydrophobicContact CE1-CD2 4.27Å; Y131-L135 HydrophobicContact CE1-CG 4.07Å; Y131-L135 HydrophobicContact CE2-CD1 4.44Å; Y131-L135 HydrophobicContact CE2-CD2 3.53Å; Y131-L135 HydrophobicContact CE2-CG 4.12Å; Y131-L135 HydrophobicContact CG-CG 4.42Å; Y131-L135 VanDerWaalsContact O-CG 3.25Å; Y131-L135 WeakPolarHBondContact O-CG 3.3Å; Y131-L135 PolarHBondContact O-N 3.34Å
132A74.3Confident76.1Confident14 Ų1474 Ų7412%0.11636%0.364CS..Hα-helixtrans-58-35.9177.100000113.1S118 V121 Q128 I130 S136S118-A132 WeakPolarHBondContact CB-O 3.43Å; V121-A132 HydrophobicContact CB-CB 4.17Å; V121-A132 HydrophobicContact CG1-CB 4.2Å; Q128-A132 VanDerWaalsContact O-CB 3.26Å; Q128-A132 WeakPolarHBondContact O-CB 3.48Å; Q128-A132 PolarHBondContact O-N 3.11Å; I130-A132 PolarHBondContact O-N 3.41Å; A132-S136 VanDerWaalsContact O-CB 3.31Å; A132-S136 WeakPolarHBondContact O-CB 3.31Å; A132-S136 PolarHBondContact O-N 2.99Å
133K75.8Confident77Confident131 Ų13168 Ų6857%0.5734%0.336SS*.Hα-helixtrans-69.5-44.3174.5-75173.1-176.11750112.3N129 I130 Y131 L135 S136 W137N129-K133 VanDerWaalsContact O-CG 3.3Å; N129-K133 WeakPolarHBondContact O-CG 3.43Å; N129-K133 PolarHBondContact O-N 3.21Å; N129-K133 VanDerWaalsContact O-N 3.16Å; I130-K133 WeakPolarHBondContact O-CB 3.31Å; I130-K133 PolarHBondContact O-N 3.3Å; I130-K133 VanDerWaalsContact O-N 3.15Å; Y131-K133 VanDerWaalsContact C-N 3.26Å; Y131-K133 PolarHBondContact O-N 2.72Å; K133-L135 VanDerWaalsContact C-N 3.32Å; K133-S136 PolarHBondContact O-N 2.92Å; K133-W137 PolarHBondContact O-N 3.31Å
134E79.2Confident78Confident108 Ų10872.2 Ų72.251%0.50534%0.342SS..Hα-helixtrans-58.3-47.3174.4-175.4-176.6172.200110.3I130 Y131 S136 W137 I138I130-E134 PolarHBondContact O-N 2.93Å; Y131-E134 WeakPolarHBondContact O-CB 3.41Å; Y131-E134 PolarHBondContact O-N 3.1Å; Y131-E134 VanDerWaalsContact O-N 3.11Å; E134-S136 VanDerWaalsContact C-N 3.33Å; E134-S136 PolarHBondContact O-N 3.38Å; E134-W137 PolarHBondContact O-N 2.69Å; E134-W137 VanDerWaalsContact O-N 3.17Å; E134-I138 HydrophobicContact CG-CD1 4.07Å; E134-I138 WeakPolarHBondContact O-CG1 3.44Å; E134-I138 PolarHBondContact O-N 3.47Å
135L76Confident78.7Confident5 Ų568 Ų683%0.02632%0.321CS..Hα-helixtrans-56.3-47.2175.1-66.5-157.5000112W67 V121 Y131 K133 W137 I138 E139W67-L135 HydrophobicContact CD2-CD2 4.21Å; W67-L135 HydrophobicContact CH2-CB 4.15Å; W67-L135 HydrophobicContact CH2-CD2 4.33Å; W67-L135 WeakPolarHBondContact CH2-O 3.36Å; W67-L135 HydrophobicContact CZ2-CB 3.62Å; W67-L135 HydrophobicContact CZ2-CD1 3.72Å; W67-L135 HydrophobicContact CZ2-CD2 3.43Å; W67-L135 VanDerWaalsContact CZ2-CD2 3.43Å; W67-L135 HydrophobicContact CZ2-CG 3.71Å; V121-L135 HydrophobicContact CG2-CD1 3.67Å; Y131-L135 HydrophobicContact CD1-CD1 4.11Å; Y131-L135 HydrophobicContact CD1-CG 4.28Å; Y131-L135 HydrophobicContact CD2-CD2 4.05Å; Y131-L135 HydrophobicContact CD2-CG 4.34Å; Y131-L135 HydrophobicContact CE1-CD1 3.61Å; Y131-L135 HydrophobicContact CE1-CD2 4.27Å; Y131-L135 HydrophobicContact CE1-CG 4.07Å; Y131-L135 HydrophobicContact CE2-CD1 4.44Å; Y131-L135 HydrophobicContact CE2-CD2 3.53Å; Y131-L135 HydrophobicContact CE2-CG 4.12Å; Y131-L135 HydrophobicContact CG-CG 4.42Å; Y131-L135 VanDerWaalsContact O-CG 3.25Å; Y131-L135 WeakPolarHBondContact O-CG 3.3Å; Y131-L135 PolarHBondContact O-N 3.34Å; K133-L135 VanDerWaalsContact C-N 3.32Å; L135-W137 VanDerWaalsContact C-N 3.29Å; L135-W137 PolarHBondContact O-N 3.23Å; L135-I138 PolarHBondContact O-N 2.86Å; L135-E139 WeakPolarHBondContact O-CB 3.44Å; L135-E139 PolarHBondContact O-N 3.12Å
136S73.6Confident78.9Confident6 Ų664.8 Ų64.84%0.04231%0.305CS..Hα-helixtrans-61.2-39.2179.8179.90000111.6A132 K133 E134 G140 L163A132-S136 VanDerWaalsContact O-CB 3.31Å; A132-S136 WeakPolarHBondContact O-CB 3.31Å; A132-S136 PolarHBondContact O-N 2.99Å; K133-S136 PolarHBondContact O-N 2.92Å; E134-S136 VanDerWaalsContact C-N 3.33Å; E134-S136 PolarHBondContact O-N 3.38Å; S136-G140 PolarHBondContact O-N 2.92Å; S136-L163 WeakPolarHBondContact OG-CD2 3.4Å
137W75.1Confident79Confident169 Ų16962.6 Ų62.664%0.6429%0.287SS*.Hα-helixtrans-67.7-44.2176.8-176.177.4000112.1K133 E134 L135 G140 W141K133-W137 PolarHBondContact O-N 3.31Å; E134-W137 PolarHBondContact O-N 2.69Å; E134-W137 VanDerWaalsContact O-N 3.17Å; L135-W137 VanDerWaalsContact C-N 3.29Å; L135-W137 PolarHBondContact O-N 3.23Å; W137-G140 PolarHBondContact O-N 3.11Å; W137-W141 PolarHBondContact O-N 3.02Å
138I79.1Confident79.2Confident31 Ų3158 Ų5816%0.15926%0.258CS..Hα-helixtrans-64-45.4176.6-61.6168.9000110.3W67 E134 L135 G140 W141 C142W67-I138 HydrophobicContact CE3-CB 4.44Å; W67-I138 HydrophobicContact CE3-CG2 3.77Å; W67-I138 HydrophobicContact CH2-CB 4.37Å; W67-I138 HydrophobicContact CH2-CG2 4.42Å; W67-I138 HydrophobicContact CZ3-CB 3.89Å; W67-I138 HydrophobicContact CZ3-CG2 3.47Å; W67-I138 VanDerWaalsContact CZ3-CG2 3.47Å; E134-I138 HydrophobicContact CG-CD1 4.07Å; E134-I138 WeakPolarHBondContact O-CG1 3.44Å; E134-I138 PolarHBondContact O-N 3.47Å; L135-I138 PolarHBondContact O-N 2.86Å; I138-G140 PolarHBondContact O-N 3.34Å; I138-W141 PolarHBondContact O-N 3.25Å; I138-W141 VanDerWaalsContact O-N 3.16Å; I138-C142 PolarHBondContact O-N 2.9Å; I138-C142 PolarHBondContact O-SG 2.64Å
139E78.6Confident79.6Confident3 Ų355.9 Ų55.91%0.01425%0.248CC..Hα-helixtrans-54.7-49.9173.7-104.5160.4-16800111.7W67 V95 R117 S118 L135 W141 C142 V143 L163W67-E139 HydrophobicContact CH2-CB 4.36Å; W67-E139 HydrophobicContact CH2-CG 3.69Å; W67-E139 HydrophobicContact CZ3-CG 4.33Å; V95-E139 HydrophobicContact CB-CG 4.35Å; V95-E139 HydrophobicContact CG2-CG 4.12Å; R117-E139 WeakPolarHBondContact CA-OE1 3.44Å; R117-E139 WeakPolarHBondContact CB-OE1 3.38Å; R117-E139 PolarHBondContact N-OE1 2.84Å; S118-E139 WeakPolarHBondContact CB-OE2 3.19Å; S118-E139 PolarHBondContact N-OE1 2.89Å; S118-E139 PolarHBondContact N-OE2 3.17Å; S118-E139 PolarHBondContact OG-OE2 3.36Å; L135-E139 WeakPolarHBondContact O-CB 3.44Å; L135-E139 PolarHBondContact O-N 3.12Å; E139-W141 VanDerWaalsContact C-N 3.29Å; E139-W141 PolarHBondContact O-N 3.44Å; E139-C142 PolarHBondContact O-N 3.46Å; E139-C142 VanDerWaalsContact O-N 3.16Å; E139-V143 PolarHBondContact O-N 3Å; E139-L163 HydrophobicContact CB-CD1 4.3Å; E139-L163 HydrophobicContact CB-CD2 4.21Å
140G75.8Confident80.1Confident12 Ų1253 Ų5312%0.12423%0.233CC..Hα-helixtrans-59.8-36.817700000112.9S136 W137 I138 V143 R144S136-G140 PolarHBondContact O-N 2.92Å; W137-G140 PolarHBondContact O-N 3.11Å; I138-G140 PolarHBondContact O-N 3.34Å; G140-V143 WeakPolarHBondContact O-CG2 3.42Å; G140-R144 WeakPolarHBondContact O-CG 3.24Å
141W80.1Confident80.3Confident120 Ų12048.3 Ų48.346%0.45521%0.209SC..Hα-helixtrans-69.1-43.3173.1178.277.7000112.1P99 W137 I138 E139 R144 F145P99-W141 HydrophobicContact CB-CH2 3.94Å; P99-W141 HydrophobicContact CB-CZ3 4Å; P99-W141 HydrophobicContact CG-CE3 4.13Å; P99-W141 HydrophobicContact CG-CH2 3.96Å; P99-W141 HydrophobicContact CG-CZ3 3.53Å; W137-W141 PolarHBondContact O-N 3.02Å; I138-W141 PolarHBondContact O-N 3.25Å; I138-W141 VanDerWaalsContact O-N 3.16Å; E139-W141 VanDerWaalsContact C-N 3.29Å; E139-W141 PolarHBondContact O-N 3.44Å; W141-R144 WeakPolarHBondContact O-CB 3.46Å; W141-R144 PolarHBondContact O-N 3.41Å; W141-F145 HydrophobicContact CD2-CE2 4.02Å; W141-F145 AromaticContact CE2-CE2 3.6Å; W141-F145 AromaticContact CE2-CZ 3.99Å; W141-F145 HydrophobicContact CE3-CE2 4.39Å; W141-F145 HydrophobicContact CH2-CE2 4.02Å; W141-F145 HydrophobicContact CH2-CZ 4.15Å; W141-F145 AromaticContact CZ2-CE2 3.61Å; W141-F145 HydrophobicContact CZ2-CE2 3.61Å; W141-F145 AromaticContact CZ2-CZ 3.62Å; W141-F145 HydrophobicContact CZ2-CZ 3.62Å; W141-F145 HydrophobicContact CZ3-CE2 4.4Å; W141-F145 WeakPolarHBondContact O-CD2 3.37Å
142C83.6Confident80.8Confident2 Ų244.3 Ų44.31%0.01419%0.194CC..Hα-helixtrans-66.6-40-177.7-66.30000113.2V95 P99 I138 E139 R144 F145V95-C142 HydrophobicContact CB-CB 4.1Å; V95-C142 HydrophobicContact CG1-CB 3.45Å; V95-C142 VanDerWaalsContact CG1-CB 3.45Å; V95-C142 VanDerWaalsContact O-CB 3.27Å; V95-C142 WeakPolarHBondContact O-CB 3.42Å; P99-C142 HydrophobicContact CG-CB 4.1Å; I138-C142 PolarHBondContact O-N 2.9Å; I138-C142 PolarHBondContact O-SG 2.64Å; E139-C142 PolarHBondContact O-N 3.46Å; E139-C142 VanDerWaalsContact O-N 3.16Å; C142-R144 PolarHBondContact O-N 3.11Å; C142-R144 VanDerWaalsContact O-N 3.13Å; C142-F145 PolarHBondContact O-N 3.34Å; C142-F145 VanDerWaalsContact O-N 3.16Å
143V79.7Confident81.3Confident7 Ų743.7 Ų43.74%0.04219%0.188CC..Hα-helixtrans-62.4-21.1179.4-66.90000113.1V95 E139 G140 F145 C146 L149V95-V143 HydrophobicContact CB-CG1 4.49Å; V95-V143 HydrophobicContact CG1-CB 4.27Å; V95-V143 HydrophobicContact CG1-CG1 3.45Å; V95-V143 VanDerWaalsContact CG1-CG1 3.45Å; V95-V143 HydrophobicContact CG2-CG1 4.25Å; E139-V143 PolarHBondContact O-N 3Å; G140-V143 WeakPolarHBondContact O-CG2 3.42Å; V143-F145 PolarHBondContact O-N 2.68Å; V143-C146 WeakPolarHBondContact O-CB 3.5Å; V143-C146 PolarHBondContact O-N 2.9Å; V143-L149 HydrophobicContact CB-CD2 3.99Å; V143-L149 HydrophobicContact CG1-CD1 4.21Å; V143-L149 HydrophobicContact CG1-CD2 4.09Å
144R80.7Confident81.7Confident158 Ų15840 Ų4060%0.59618%0.175SC*.THydrogen-bonded Turntrans-64.7-21.6178.7-62.7170.185.4153.46.7112.8G140 W141 C142 C146G140-R144 WeakPolarHBondContact O-CG 3.24Å; W141-R144 WeakPolarHBondContact O-CB 3.46Å; W141-R144 PolarHBondContact O-N 3.41Å; C142-R144 PolarHBondContact O-N 3.11Å; C142-R144 VanDerWaalsContact O-N 3.13Å; R144-C146 VanDerWaalsContact C-N 3.34Å
145F85.3Confident81.8Confident67 Ų6735.8 Ų35.829%0.29416%0.155SC..THydrogen-bonded Turntrans-85.8-5.6177.3-65.8-95.8000113V98 P99 K102 W141 C142 V143V98-F145 HydrophobicContact CG1-CB 3.61Å; P99-F145 HydrophobicContact CB-CD1 4.5Å; P99-F145 HydrophobicContact CB-CD2 4.19Å; P99-F145 HydrophobicContact CB-CE2 4.2Å; P99-F145 HydrophobicContact CB-CG 4.34Å; P99-F145 HydrophobicContact CB-CZ 4.36Å; P99-F145 HydrophobicContact CG-CD2 3.83Å; P99-F145 HydrophobicContact CG-CE2 4.03Å; P99-F145 HydrophobicContact CG-CG 4.31Å; K102-F145 HydrophobicContact CB-CD1 4.44Å; K102-F145 HydrophobicContact CG-CD1 4.26Å; W141-F145 HydrophobicContact CD2-CE2 4.02Å; W141-F145 AromaticContact CE2-CE2 3.6Å; W141-F145 AromaticContact CE2-CZ 3.99Å; W141-F145 HydrophobicContact CE3-CE2 4.39Å; W141-F145 HydrophobicContact CH2-CE2 4.02Å; W141-F145 HydrophobicContact CH2-CZ 4.15Å; W141-F145 AromaticContact CZ2-CE2 3.61Å; W141-F145 HydrophobicContact CZ2-CE2 3.61Å; W141-F145 AromaticContact CZ2-CZ 3.62Å; W141-F145 HydrophobicContact CZ2-CZ 3.62Å; W141-F145 HydrophobicContact CZ3-CE2 4.4Å; W141-F145 WeakPolarHBondContact O-CD2 3.37Å; C142-F145 PolarHBondContact O-N 3.34Å; C142-F145 VanDerWaalsContact O-N 3.16Å; V143-F145 PolarHBondContact O-N 2.68Å
146C85.7Confident81.9Confident5 Ų535.6 Ų35.63%0.03415%0.154CC..  trans-79.2135.9173.6-57.70000110.7V98 F111 V143 R144V98-C146 VanDerWaalsContact CG1-SG 3.52Å; F111-C146 HydrophobicContact CB-CB 4.34Å; F111-C146 VanDerWaalsContact CB-SG 3.53Å; V143-C146 WeakPolarHBondContact O-CB 3.5Å; V143-C146 PolarHBondContact O-N 2.9Å; R144-C146 VanDerWaalsContact C-N 3.34Å
147E85.5Confident82.2Confident66 Ų6635.7 Ų35.731%0.30816%0.155SC..SBendtrans-79.2-43.2168.1-81.467-152.500110.7K102 P108 I109K102-E147 WeakPolarHBondContact CE-OE1 3.49Å; K102-E147 IonicContact NZ-OE1 2.59Å; K102-E147 PolarHBondContact NZ-OE1 3.47Å; K102-E147 IonicContact NZ-OE2 2.84Å; K102-E147 PolarHBondContact NZ-OE2 3.14Å; P108-E147 VanDerWaalsContact CA-OE2 3.23Å; P108-E147 WeakPolarHBondContact CA-OE2 3.27Å; P108-E147 HydrophobicContact CB-CB 4.28Å; P108-E147 HydrophobicContact CB-CG 4Å; I109-E147 PolarHBondContact N-OE2 3.45Å; I109-E147 PolarHBondContact O-N 3.41Å
148F84.8Confident82.1Confident12 Ų1230.9 Ų30.95%0.05314%0.139CC..BIsolated β-bridgetrans-123.2132.9175.4-50.7-85.4000109.9I109 F110 F111 I407 F411I109-F148 PolarHBondContact O-N 2.96Å; F110-F148 HydrophobicContact CB-CB 4.42Å; F110-F148 HydrophobicContact CB-CD2 4.47Å; F110-F148 HydrophobicContact CD2-CB 3.78Å; F110-F148 HydrophobicContact CD2-CD2 4.2Å; F110-F148 HydrophobicContact CD2-CG 4.09Å; F110-F148 HydrophobicContact CE2-CB 4.45Å; F110-F148 HydrophobicContact CG-CB 4.23Å; F111-F148 PolarHBondContact N-O 2.93Å; F148-I407 HydrophobicContact CD1-CG2 3.92Å; F148-I407 HydrophobicContact CE1-CG2 4.36Å; F148-I407 HydrophobicContact CG-CG2 4.47Å; F148-F411 HydrophobicContact CE2-CB 4.21Å; F148-F411 AromaticContact CE2-CD2 3.85Å; F148-F411 HydrophobicContact CE2-CD2 3.85Å; F148-F411 HydrophobicContact CE2-CG 4.35Å; F148-F411 HydrophobicContact CZ-CB 3.72Å; F148-F411 AromaticContact CZ-CD2 3.95Å; F148-F411 HydrophobicContact CZ-CD2 3.95Å; F148-F411 HydrophobicContact CZ-CG 4.27Å
149L84.8Confident81.9Confident8 Ų829.7 Ų29.74%0.04213%0.133CC..  trans-129.960.7178.2-168.367.2000109.7F111 F113 V143 T151 C160 K192 C193F111-L149 HydrophobicContact CB-CD1 3.9Å; F111-L149 HydrophobicContact CD1-CD1 3.6Å; F111-L149 HydrophobicContact CG-CD1 4.08Å; F113-L149 HydrophobicContact CB-CD1 3.96Å; F113-L149 HydrophobicContact CB-CG 4.22Å; F113-L149 HydrophobicContact CD2-CD1 3.94Å; F113-L149 HydrophobicContact CD2-CG 4.49Å; F113-L149 HydrophobicContact CG-CD1 4.31Å; V143-L149 HydrophobicContact CB-CD2 3.99Å; V143-L149 HydrophobicContact CG1-CD1 4.21Å; V143-L149 HydrophobicContact CG1-CD2 4.09Å; L149-T151 PolarHBondContact O-N 3.39Å; L149-C160 WeakPolarHBondContact CD2-SG 3.17Å; L149-K192 CarbonylContact C-O 3.38Å; L149-K192 WeakPolarHBondContact CA-O 3.46Å; L149-K192 WeakPolarHBondContact CB-O 3.28Å; L149-K192 PolarHBondContact N-O 3.26Å; L149-C193 WeakPolarHBondContact O-CA 3.05Å
150P86.4Confident81.6Confident1 Ų129.5 Ų29.51%0.00613%0.132CC..  trans-58.5134.4177.224.6-36000111.8F110 F111 L112 F113 P194 F196F110-P150 HydrophobicContact CD1-CG 4.05Å; F110-P150 HydrophobicContact CE1-CG 3.5Å; F110-P150 VanDerWaalsContact CE1-CG 3.5Å; F110-P150 HydrophobicContact CE2-CG 4.14Å; F110-P150 HydrophobicContact CZ-CB 4.36Å; F110-P150 HydrophobicContact CZ-CG 3.56Å; F111-P150 VanDerWaalsContact O-CD 3.24Å; F111-P150 WeakPolarHBondContact O-CD 3.21Å; L112-P150 HydrophobicContact CD2-CG 4.1Å; F113-P150 WeakPolarHBondContact CB-O 3.33Å; F113-P150 PolarHBondContact N-O 3.44Å; P150-P194 VanDerWaalsContact CA-O 3.24Å; P150-P194 WeakPolarHBondContact CA-O 3.3Å; P150-P194 HydrophobicContact CB-CG 4.21Å; P150-F196 HydrophobicContact CB-CB 3.56Å; P150-F196 HydrophobicContact CB-CD1 4.22Å; P150-F196 HydrophobicContact CB-CG 4.13Å
151T85.7Confident81.2Confident0 Ų029.8 Ų29.80%013%0.13CC..BIsolated β-bridgetrans-105.3135.1179.251.40000109.6F113 L149 S153 S157 C160 P194 F196F113-T151 HydrophobicContact CB-CG2 4.4Å; F113-T151 HydrophobicContact CD1-CG2 4.25Å; L149-T151 PolarHBondContact O-N 3.39Å; T151-S153 PolarHBondContact O-N 2.89Å; T151-S157 VanDerWaalsContact CB-OG 3.27Å; T151-S157 WeakPolarHBondContact CB-OG 3.37Å; T151-S157 PolarHBondContact OG1-OG 3.04Å; T151-C160 HydrophobicContact CG2-CB 4.22Å; T151-P194 PolarHBondContact N-O 3.29Å; T151-F196 PolarHBondContact O-N 3.47Å
152I87.8Confident80.6Confident6 Ų625.9 Ų25.93%0.03112%0.117CC..SBendtrans-75.4-8.6-174.659.4161.8000114.3F113 F114 S156 F196 H197 P198 H323 F324F113-I152 PolarHBondContact O-N 3.1Å; F114-I152 HydrophobicContact CB-CD1 4.42Å; F114-I152 HydrophobicContact CD1-CD1 3.66Å; F114-I152 HydrophobicContact CD1-CG1 4.3Å; F114-I152 HydrophobicContact CD1-CG2 3.76Å; F114-I152 HydrophobicContact CE1-CD1 4.5Å; F114-I152 HydrophobicContact CE1-CG2 3.89Å; I152-S156 WeakPolarHBondContact CG1-OG 3.36Å; I152-S156 PolarHBondContact N-OG 2.98Å; I152-F196 WeakPolarHBondContact CA-O 3.4Å; I152-H197 PolarHBondContact O-CD2 3.28Å; I152-H197 VanDerWaalsContact O-CD2 3.3Å; I152-P198 HydrophobicContact CB-CG 3.9Å; I152-P198 HydrophobicContact CG2-CG 3.93Å; I152-P198 WeakPolarHBondContact O-CD 3.48Å; I152-H323 HydrophobicContact CD1-CB 3.55Å; I152-F324 HydrophobicContact CD1-CB 3.77Å; I152-F324 HydrophobicContact CG1-CB 4.44Å; I152-F324 VanDerWaalsContact O-CD2 3.3Å; I152-F324 WeakPolarHBondContact O-CD2 3.28Å
153S85.3Confident79.7Confident0 Ų026.4 Ų26.40%012%0.12CC..SBendtrans-164.3159.4-174.759.80000110.5T151 F155 S156 S157 H323 E348T151-S153 PolarHBondContact O-N 2.89Å; S153-F155 PolarHBondContact O-N 3.22Å; S153-S156 PolarHBondContact N-OG 3.34Å; S153-S156 PolarHBondContact O-N 3.48Å; S153-S156 PolarHBondContact O-OG 3.26Å; S153-S156 WeakPolarHBondContact OG-CB 3.49Å; S153-S156 PolarHBondContact OG-N 2.72Å; S153-S156 PolarHBondContact OG-OG 3.4Å; S153-S157 PolarHBondContact O-N 3.48Å; S153-S157 PolarHBondContact O-OG 2.85Å; S153-H323 VanDerWaalsContact CB-O 3.23Å; S153-H323 WeakPolarHBondContact CB-O 3.36Å; S153-H323 PolarHBondContact OG-O 2.65Å; S153-E348 VanDerWaalsContact CB-OE1 3.25Å; S153-E348 WeakPolarHBondContact CB-OE1 3.33Å
154N84.1Confident78.9Confident53 Ų5328.4 Ų28.428%0.28313%0.13SC..Hα-helixtrans-60.2-37.3166.8-68.6-70.3000110.7S156 S157 E158 E348N154-S156 PolarHBondContact O-N 3.11Å; N154-S157 WeakPolarHBondContact O-CA 3.3Å; N154-S157 VanDerWaalsContact O-CB 3.27Å; N154-S157 WeakPolarHBondContact O-CB 3.49Å; N154-S157 PolarHBondContact O-N 3.45Å; N154-S157 VanDerWaalsContact O-N 3.12Å; N154-E158 PolarHBondContact O-N 2.74Å; N154-E348 WeakPolarHBondContact CA-OE1 3.44Å; N154-E348 WeakPolarHBondContact CB-OE1 3.44Å; N154-E348 PolarHBondContact N-OE1 3.05Å; N154-E348 PolarHBondContact N-OE2 2.86Å; N154-E348 PolarHBondContact ND2-OE2 2.9Å
155F80.7Confident77.6Confident21 Ų2123 Ų239%0.09211%0.113CC..Hα-helixtrans-56.7-49.9172.8177.9-112.6000112.3Y115 S153 S157 E158 L159 R321 E348Y115-F155 HydrophobicContact CE2-CE1 4.15Å; Y115-F155 HydrophobicContact CE2-CZ 4.41Å; S153-F155 PolarHBondContact O-N 3.22Å; F155-S157 VanDerWaalsContact C-N 3.27Å; F155-S157 PolarHBondContact O-N 3.3Å; F155-E158 PolarHBondContact O-N 2.99Å; F155-L159 HydrophobicContact CD1-CD1 4.15Å; F155-L159 HydrophobicContact CE1-CD1 3.68Å; F155-L159 HydrophobicContact CE2-CD1 4.37Å; F155-L159 HydrophobicContact CE2-CD2 4.4Å; F155-L159 HydrophobicContact CZ-CD1 3.79Å; F155-L159 HydrophobicContact CZ-CD2 4.36Å; F155-L159 HydrophobicContact CZ-CG 4.4Å; F155-L159 WeakPolarHBondContact O-CG 3.46Å; F155-L159 PolarHBondContact O-N 3.37Å; F155-R321 HydrophobicContact CE1-CB 4.34Å; F155-R321 VanDerWaalsContact CE1-O 3.25Å; F155-R321 WeakPolarHBondContact CE1-O 3.21Å; F155-R321 HydrophobicContact CZ-CB 3.84Å; F155-E348 PolarHBondContact N-OE1 3.38Å; F155-E348 VanDerWaalsContact N-OE1 3.15Å
156S78.4Confident76Confident0 Ų025.7 Ų25.70%012%0.121CC..Hα-helixtrans-66.4-29.1176.153.10000112.9F114 I152 S153 N154 L159 C160F114-S156 VanDerWaalsContact O-CB 3.27Å; F114-S156 WeakPolarHBondContact O-CB 3.42Å; I152-S156 WeakPolarHBondContact CG1-OG 3.36Å; I152-S156 PolarHBondContact N-OG 2.98Å; S153-S156 PolarHBondContact N-OG 3.34Å; S153-S156 PolarHBondContact O-N 3.48Å; S153-S156 PolarHBondContact O-OG 3.26Å; S153-S156 WeakPolarHBondContact OG-CB 3.49Å; S153-S156 PolarHBondContact OG-N 2.72Å; S153-S156 PolarHBondContact OG-OG 3.4Å; N154-S156 PolarHBondContact O-N 3.11Å; S156-L159 PolarHBondContact O-N 3.41Å; S156-C160 WeakPolarHBondContact O-CB 3.4Å; S156-C160 PolarHBondContact O-N 3.46Å
157S78.3Confident74Confident9 Ų932.5 Ų32.56%0.06315%0.152CC..Hα-helixtrans-63.2-45.4172.4-530000112.1T151 S153 N154 F155 L159 C160 F161 L181T151-S157 VanDerWaalsContact CB-OG 3.27Å; T151-S157 WeakPolarHBondContact CB-OG 3.37Å; T151-S157 PolarHBondContact OG1-OG 3.04Å; S153-S157 PolarHBondContact O-N 3.48Å; S153-S157 PolarHBondContact O-OG 2.85Å; N154-S157 WeakPolarHBondContact O-CA 3.3Å; N154-S157 VanDerWaalsContact O-CB 3.27Å; N154-S157 WeakPolarHBondContact O-CB 3.49Å; N154-S157 PolarHBondContact O-N 3.45Å; N154-S157 VanDerWaalsContact O-N 3.12Å; F155-S157 VanDerWaalsContact C-N 3.27Å; F155-S157 PolarHBondContact O-N 3.3Å; S157-L159 VanDerWaalsContact C-N 3.28Å; S157-L159 PolarHBondContact O-N 3.46Å; S157-C160 WeakPolarHBondContact O-CB 3.49Å; S157-C160 PolarHBondContact O-N 2.84Å; S157-F161 PolarHBondContact O-N 2.95Å; S157-L181 WeakPolarHBondContact O-CD1 3.36Å
158E74Confident71.6Confident67 Ų6733.8 Ų33.831%0.31316%0.164SC..Hα-helixtrans-58.9-41.7175.4-70.3178175.400111.3N154 F155 F161 E162N154-E158 PolarHBondContact O-N 2.74Å; F155-E158 PolarHBondContact O-N 2.99Å; E158-F161 WeakPolarHBondContact O-CB 3.49Å; E158-F161 PolarHBondContact O-N 3.45Å; E158-E162 PolarHBondContact O-N 3.32Å
159L74.8Confident69.5Low6 Ų637.8 Ų37.83%0.03119%0.194CC..Hα-helixtrans-68.7-37.6178-56173.3000112.1Y115 P116 L119 F155 S156 S157 F161 E162 L163Y115-L159 HydrophobicContact CD2-CD1 3.27Å; Y115-L159 HydrophobicContact CE2-CD1 3.16Å; Y115-L159 HydrophobicContact CG-CD1 4.44Å; P116-L159 HydrophobicContact CG-CB 3.88Å; L119-L159 HydrophobicContact CD1-CB 4.28Å; L119-L159 HydrophobicContact CD1-CD1 4.35Å; L119-L159 HydrophobicContact CD1-CD2 3.59Å; L119-L159 HydrophobicContact CD1-CG 4.27Å; F155-L159 HydrophobicContact CD1-CD1 4.15Å; F155-L159 HydrophobicContact CE1-CD1 3.68Å; F155-L159 HydrophobicContact CE2-CD1 4.37Å; F155-L159 HydrophobicContact CE2-CD2 4.4Å; F155-L159 HydrophobicContact CZ-CD1 3.79Å; F155-L159 HydrophobicContact CZ-CD2 4.36Å; F155-L159 HydrophobicContact CZ-CG 4.4Å; F155-L159 WeakPolarHBondContact O-CG 3.46Å; F155-L159 PolarHBondContact O-N 3.37Å; S156-L159 PolarHBondContact O-N 3.41Å; S157-L159 VanDerWaalsContact C-N 3.28Å; S157-L159 PolarHBondContact O-N 3.46Å; L159-F161 VanDerWaalsContact C-N 3.3Å; L159-F161 PolarHBondContact O-N 3.44Å; L159-E162 PolarHBondContact O-N 3.3Å; L159-L163 PolarHBondContact O-N 3.22Å; L159-L163 VanDerWaalsContact O-N 3.15Å
160C72.1Confident67.5Low0 Ų045.6 Ų45.60%023%0.228CC..Hα-helixtrans-63.7-35.8172.3-1720000111.8F113 L149 T151 S156 S157 L163 N164F113-C160 HydrophobicContact CD1-CB 4.06Å; F113-C160 HydrophobicContact CE1-CB 3.75Å; F113-C160 HydrophobicContact CZ-CB 4.15Å; L149-C160 WeakPolarHBondContact CD2-SG 3.17Å; T151-C160 HydrophobicContact CG2-CB 4.22Å; S156-C160 WeakPolarHBondContact O-CB 3.4Å; S156-C160 PolarHBondContact O-N 3.46Å; S157-C160 WeakPolarHBondContact O-CB 3.49Å; S157-C160 PolarHBondContact O-N 2.84Å; C160-L163 PolarHBondContact O-N 3.07Å; C160-N164 PolarHBondContact O-N 3.3Å; C160-N164 VanDerWaalsContact O-N 3.16Å; C160-N164 PolarHBondContact O-ND2 3.46Å
161F68.2Low65.4Low17 Ų1755 Ų558%0.07527%0.268CS..Hα-helixtrans-60.7-47.7172.2-165.6-117.7000111.7S157 E158 L159 L163 N164 I165 F176 L181 L184 C185S157-F161 PolarHBondContact O-N 2.95Å; E158-F161 WeakPolarHBondContact O-CB 3.49Å; E158-F161 PolarHBondContact O-N 3.45Å; L159-F161 VanDerWaalsContact C-N 3.3Å; L159-F161 PolarHBondContact O-N 3.44Å; F161-L163 PolarHBondContact O-N 3.47Å; F161-N164 PolarHBondContact O-N 3.44Å; F161-I165 HydrophobicContact CD1-CD1 3.83Å; F161-I165 HydrophobicContact CD2-CD1 3.36Å; F161-I165 HydrophobicContact CD2-CG1 4.33Å; F161-I165 HydrophobicContact CE1-CD1 3.43Å; F161-I165 VanDerWaalsContact CE1-CD1 3.43Å; F161-I165 HydrophobicContact CE2-CD1 2.99Å; F161-I165 HydrophobicContact CE2-CG1 4.31Å; F161-I165 HydrophobicContact CG-CD1 3.84Å; F161-I165 HydrophobicContact CZ-CD1 3.01Å; F161-I165 HydrophobicContact CZ-CG1 4.43Å; F161-I165 PolarHBondContact O-N 3.04Å; F161-F176 HydrophobicContact CD1-CZ 4.44Å; F161-F176 HydrophobicContact CE1-CE1 4.1Å; F161-F176 AromaticContact CE1-CZ 3.9Å; F161-F176 HydrophobicContact CE1-CZ 3.9Å; F161-L181 VanDerWaalsContact CA-CD1 3.46Å; F161-L181 HydrophobicContact CB-CD1 3.17Å; F161-L181 HydrophobicContact CD2-CD1 3.19Å; F161-L181 HydrophobicContact CD2-CG 4.02Å; F161-L181 HydrophobicContact CE2-CD1 4.27Å; F161-L181 HydrophobicContact CG-CD1 3.56Å; F161-L184 HydrophobicContact CE1-CB 4.34Å; F161-L184 HydrophobicContact CE2-CB 3.73Å; F161-L184 HydrophobicContact CZ-CB 3.52Å; F161-C185 HydrophobicContact CE2-CB 3.81Å; F161-C185 WeakPolarHBondContact CE2-SG 3.48Å
162E66.9Low63.5Low38 Ų3860 Ų6018%0.17829%0.294CS..Hα-helixtrans-58.8-38.3179.7-76.3-164.8-151.300111.8E158 L159 R166 L173E158-E162 PolarHBondContact O-N 3.32Å; L159-E162 PolarHBondContact O-N 3.3Å; E162-R166 VanDerWaalsContact O-CG 3.27Å; E162-R166 WeakPolarHBondContact O-CG 3.19Å; E162-R166 PolarHBondContact O-N 3.35Å; E162-R166 IonicContact OE2-CZ 3.28Å; E162-R166 IonicContact OE2-NE 2.78Å; E162-R166 IonicContact OE2-NH2 3.82Å; E162-R166 PolarHBondContact OE2-NH2 3.08Å; E162-L173 HydrophobicContact CG-CD1 4.39Å; E162-L173 HydrophobicContact CG-CD2 4Å; E162-L173 WeakPolarHBondContact OE1-CD2 3.39Å
163L65.6Low61.4Low13 Ų1363.5 Ų63.57%0.06831%0.313CS..Hα-helixtrans-63.1-42.2173.1-73-177.9000112.5F113 P116 S136 E139 L159 C160 F161F113-L163 HydrophobicContact CE2-CD1 3.92Å; F113-L163 HydrophobicContact CZ-CD1 3.68Å; P116-L163 HydrophobicContact CB-CD1 3.77Å; P116-L163 HydrophobicContact CB-CD2 4.04Å; P116-L163 HydrophobicContact CB-CG 4.06Å; P116-L163 HydrophobicContact CG-CD1 3.78Å; P116-L163 HydrophobicContact CG-CD2 4.41Å; P116-L163 HydrophobicContact CG-CG 3.96Å; S136-L163 WeakPolarHBondContact OG-CD2 3.4Å; E139-L163 HydrophobicContact CB-CD1 4.3Å; E139-L163 HydrophobicContact CB-CD2 4.21Å; L159-L163 PolarHBondContact O-N 3.22Å; L159-L163 VanDerWaalsContact O-N 3.15Å; C160-L163 PolarHBondContact O-N 3.07Å; F161-L163 PolarHBondContact O-N 3.47Å
164N61.4Low59.4Low49 Ų4972 Ų7226%0.26236%0.357SS..Hα-helixtrans-74.9-27.3-177.8-77.3-41.4000113.5C160 F161C160-N164 PolarHBondContact O-N 3.3Å; C160-N164 VanDerWaalsContact O-N 3.16Å; C160-N164 PolarHBondContact O-ND2 3.46Å; F161-N164 PolarHBondContact O-N 3.44Å
165I53.8Low57.3Low45 Ų4574.3 Ų74.323%0.23138%0.378CS..Hα-helixtrans-109.80.8-168.9-68.5177.2000114F161 E167 T168 C185F161-I165 HydrophobicContact CD1-CD1 3.83Å; F161-I165 HydrophobicContact CD2-CD1 3.36Å; F161-I165 HydrophobicContact CD2-CG1 4.33Å; F161-I165 HydrophobicContact CE1-CD1 3.43Å; F161-I165 VanDerWaalsContact CE1-CD1 3.43Å; F161-I165 HydrophobicContact CE2-CD1 2.99Å; F161-I165 HydrophobicContact CE2-CG1 4.31Å; F161-I165 HydrophobicContact CG-CD1 3.84Å; F161-I165 HydrophobicContact CZ-CD1 3.01Å; F161-I165 HydrophobicContact CZ-CG1 4.43Å; F161-I165 PolarHBondContact O-N 3.04Å; I165-E167 PolarHBondContact O-N 3.33Å; I165-T168 PolarHBondContact O-N 2.91Å; I165-C185 WeakPolarHBondContact CD1-SG 3.3Å
166R52.4Low55.7Low123 Ų12374.1 Ų74.146%0.46438%0.377SS..THydrogen-bonded Turntrans-65.22.5175.2-86.7175.7-177-171.87.1115.4E162 T168E162-R166 VanDerWaalsContact O-CG 3.27Å; E162-R166 WeakPolarHBondContact O-CG 3.19Å; E162-R166 PolarHBondContact O-N 3.35Å; E162-R166 IonicContact OE2-CZ 3.28Å; E162-R166 IonicContact OE2-NE 2.78Å; E162-R166 IonicContact OE2-NH2 3.82Å; E162-R166 PolarHBondContact OE2-NH2 3.08Å; R166-T168 VanDerWaalsContact C-N 3.3Å
167E44.2Very low54.1Low148 Ų14883.2 Ų83.269%0.69242%0.419SS*.THydrogen-bonded Turntrans-72.3-14.3157.9-77.7-176.8159.700114I165I165-E167 PolarHBondContact O-N 3.33Å
168T34.9Very low52.4Low93 Ų9394.2 Ų94.257%0.57146%0.459SS*.SBendtrans-141.496.8-172.8-20.70000112.4I165 R166I165-T168 PolarHBondContact O-N 2.91Å; R166-T168 VanDerWaalsContact C-N 3.3Å
169S40.5Very low50.9Low96 Ų9696.7 Ų96.767%0.67147%0.469SS*.  trans40.6114.3159.849.10000121K171S169-K171 PolarHBondContact O-N 2.88Å
170K42.8Very low49.7Very low173 Ų17399 Ų9975%0.75248%0.484SS*.G310 helixtrans-50-0.8173.4-80.1-177.6171.4-173.70118.9L172K170-L172 PolarHBondContact O-N 3.24Å
171K40.8Very low48.5Very low198 Ų19899.6 Ų99.686%0.86149%0.487SS*.G310 helixtrans-83.3-9.9-166.3-94.1-174.8176.3-178.60115.8S169S169-K171 PolarHBondContact O-N 2.88Å
172L46.7Very low47.5Very low104 Ų104101.9 Ų101.955%0.54550%0.498SS..G310 helixtrans-82.6-18.3-175.6-116.780000114.1K170 L174 F176K170-L172 PolarHBondContact O-N 3.24Å; L172-L174 VanDerWaalsContact C-N 3.26Å; L172-L174 PolarHBondContact O-N 2.69Å; L172-F176 HydrophobicContact CB-CE2 3.86Å; L172-F176 HydrophobicContact CB-CZ 3.83Å; L172-F176 HydrophobicContact CD2-CZ 3.94Å; L172-F176 HydrophobicContact CG-CZ 4.32Å; L172-F176 VanDerWaalsContact O-CD2 3.28Å; L172-F176 WeakPolarHBondContact O-CD2 3.19Å; L172-F176 WeakPolarHBondContact O-CE2 3.41Å
173L44.7Very low46.8Very low80 Ų80105 Ų10542%0.41951%0.512SS..THydrogen-bonded Turntrans-64.5-4.2-161.1-86155.3000118.8E162 F176E162-L173 HydrophobicContact CG-CD1 4.39Å; E162-L173 HydrophobicContact CG-CD2 4Å; E162-L173 WeakPolarHBondContact OE1-CD2 3.39Å; L173-F176 VanDerWaalsContact CA-CD2 3.44Å; L173-F176 HydrophobicContact CB-CE2 4.41Å; L173-F176 HydrophobicContact CD2-CD2 4.24Å; L173-F176 HydrophobicContact CD2-CE2 4.17Å; L173-F176 HydrophobicContact CG-CE2 4.19Å
174L41.3Very low45.8Very low178 Ų178106.5 Ų106.593%0.93252%0.52SS*.THydrogen-bonded Turntrans-102.21.1-170.8-74.4158.9000115.1L172L172-L174 VanDerWaalsContact C-N 3.26Å; L172-L174 PolarHBondContact O-N 2.69Å
175S41.9Very low45.1Very low102 Ų102105.6 Ų105.671%0.71352%0.517SS*.SBendtrans-121.313.6-174.760.60000115.6
176F46.4Very low44.9Very low18 Ų18107.6 Ų107.68%0.07953%0.533CS..  trans-87-9-155.5-84.4-73.4000119.2F161 L172 L173 R178 K179 L184F161-F176 HydrophobicContact CD1-CZ 4.44Å; F161-F176 HydrophobicContact CE1-CE1 4.1Å; F161-F176 AromaticContact CE1-CZ 3.9Å; F161-F176 HydrophobicContact CE1-CZ 3.9Å; L172-F176 HydrophobicContact CB-CE2 3.86Å; L172-F176 HydrophobicContact CB-CZ 3.83Å; L172-F176 HydrophobicContact CD2-CZ 3.94Å; L172-F176 HydrophobicContact CG-CZ 4.32Å; L172-F176 VanDerWaalsContact O-CD2 3.28Å; L172-F176 WeakPolarHBondContact O-CD2 3.19Å; L172-F176 WeakPolarHBondContact O-CE2 3.41Å; L173-F176 VanDerWaalsContact CA-CD2 3.44Å; L173-F176 HydrophobicContact CB-CE2 4.41Å; L173-F176 HydrophobicContact CD2-CD2 4.24Å; L173-F176 HydrophobicContact CD2-CE2 4.17Å; L173-F176 HydrophobicContact CG-CE2 4.19Å; F176-R178 PolarHBondContact O-N 3.23Å; F176-K179 PolarHBondContact O-N 2.57Å; F176-L184 HydrophobicContact CD1-CD1 3.48Å; F176-L184 VanDerWaalsContact CD1-CD1 3.48Å; F176-L184 HydrophobicContact CD1-CD2 3.86Å; F176-L184 HydrophobicContact CD1-CG 4.24Å; F176-L184 HydrophobicContact CE1-CB 4.42Å; F176-L184 HydrophobicContact CE1-CD1 3.3Å; F176-L184 HydrophobicContact CE1-CD2 3.38Å; F176-L184 HydrophobicContact CE1-CG 3.79Å; F176-L184 HydrophobicContact CZ-CD2 4.42Å
177Q43.6Very low44.6Very low190 Ų190110 Ų11089%0.88855%0.55SS*.THydrogen-bonded Turntrans-59.84-162.5-72-170-26.400118.4
178R42.9Very low44.9Very low240 Ų240105.1 Ų105.191%0.90653%0.528SS*.THydrogen-bonded Turntrans-142.7-0.5-177.7-70.7-170.9179.4174.6-0.2116.9F176F176-R178 PolarHBondContact O-N 3.23Å
179K42.5Very low45.6Very low119 Ų119104.1 Ų104.152%0.51752%0.523SS..  trans-112.7127.8-171.2-63.5-161.8174.1-177.60112.2F176 E183 L184F176-K179 PolarHBondContact O-N 2.57Å; K179-E183 VanDerWaalsContact CA-OE2 3.31Å; K179-E183 WeakPolarHBondContact CA-OE2 3.48Å; K179-E183 HydrophobicContact CB-CB 4.08Å; K179-E183 VanDerWaalsContact CB-OE2 3.3Å; K179-E183 WeakPolarHBondContact CB-OE2 3.44Å; K179-E183 HydrophobicContact CD-CB 4.47Å; K179-E183 VanDerWaalsContact CG-OE2 3.22Å; K179-E183 WeakPolarHBondContact CG-OE2 3.41Å; K179-L184 HydrophobicContact CB-CD1 4.09Å; K179-L184 HydrophobicContact CB-CD2 3.9Å; K179-L184 HydrophobicContact CB-CG 3.91Å; K179-L184 HydrophobicContact CD-CD2 4Å; K179-L184 WeakPolarHBondContact O-CD1 3.43Å
180T49.6Very low45.9Very low55 Ų55105.1 Ų105.134%0.33752%0.521SS..  trans-68.2157.4175.555.60000112.1H182 E183 L184T180-H182 PolarHBondContact O-N 3.33Å; T180-E183 PolarHBondContact N-OE1 3.21Å; T180-E183 VanDerWaalsContact N-OE1 3.13Å; T180-E183 WeakPolarHBondContact O-CB 3.31Å; T180-E183 PolarHBondContact O-N 2.75Å; T180-E183 WeakPolarHBondContact OG1-CG 3.38Å; T180-E183 PolarHBondContact OG1-OE1 3.12Å; T180-L184 WeakPolarHBondContact O-CD1 3.11Å; T180-L184 PolarHBondContact O-N 2.97Å
181L46.4Very low46.3Very low13 Ų13103.4 Ų103.47%0.06851%0.509CS..Hα-helixtrans-44.7-40.5177.5-166.478.3000113.3S157 F161 L184 C185 L188 C193S157-L181 WeakPolarHBondContact O-CD1 3.36Å; F161-L181 VanDerWaalsContact CA-CD1 3.46Å; F161-L181 HydrophobicContact CB-CD1 3.17Å; F161-L181 HydrophobicContact CD2-CD1 3.19Å; F161-L181 HydrophobicContact CD2-CG 4.02Å; F161-L181 HydrophobicContact CE2-CD1 4.27Å; F161-L181 HydrophobicContact CG-CD1 3.56Å; L181-L184 PolarHBondContact O-N 2.81Å; L181-C185 PolarHBondContact O-N 3.16Å; L181-L188 HydrophobicContact CD2-CD2 3.43Å; L181-L188 VanDerWaalsContact CD2-CD2 3.43Å; L181-L188 HydrophobicContact CG-CD2 4.18Å; L181-C193 HydrophobicContact CD2-CB 3.59Å
182H49Very low47.2Very low65 Ų6598.1 Ų98.130%0.30149%0.486SS..Hα-helixtrans-72.1-34.4-179.1179.1-104.7000113.3T180 L184 C185 P186 L188 L190T180-H182 PolarHBondContact O-N 3.33Å; H182-L184 PolarHBondContact O-N 3.25Å; H182-C185 CarbonylContact O-C 3.32Å; H182-P186 WeakPolarHBondContact O-CA 3.49Å; H182-L188 PolarHBondContact CD2-O 3.06Å; H182-L190 HydrophobicContact CB-CD2 3.78Å; H182-L190 HydrophobicContact CB-CG 4.28Å; H182-L190 VanDerWaalsContact CD2-CG 3.44Å; H182-L190 WeakPolarHBondContact CD2-CG 3.13Å
183E51Low48.3Very low102 Ų10294.2 Ų94.248%0.47747%0.468SS..Hα-helixtrans-65.9-24.9173.9-71.8166.8-12500112.4K179 T180K179-E183 VanDerWaalsContact CA-OE2 3.31Å; K179-E183 WeakPolarHBondContact CA-OE2 3.48Å; K179-E183 HydrophobicContact CB-CB 4.08Å; K179-E183 VanDerWaalsContact CB-OE2 3.3Å; K179-E183 WeakPolarHBondContact CB-OE2 3.44Å; K179-E183 HydrophobicContact CD-CB 4.47Å; K179-E183 VanDerWaalsContact CG-OE2 3.22Å; K179-E183 WeakPolarHBondContact CG-OE2 3.41Å; T180-E183 PolarHBondContact N-OE1 3.21Å; T180-E183 VanDerWaalsContact N-OE1 3.13Å; T180-E183 WeakPolarHBondContact O-CB 3.31Å; T180-E183 PolarHBondContact O-N 2.75Å; T180-E183 WeakPolarHBondContact OG1-CG 3.38Å; T180-E183 PolarHBondContact OG1-OE1 3.12Å
184L44.6Very low49.8Very low45 Ų4591.7 Ų91.724%0.23646%0.456CS..Hα-helixtrans-96.6-34.6-174.3-62.4157.2000111.9F161 F176 K179 T180 L181 H182F161-L184 HydrophobicContact CE1-CB 4.34Å; F161-L184 HydrophobicContact CE2-CB 3.73Å; F161-L184 HydrophobicContact CZ-CB 3.52Å; F176-L184 HydrophobicContact CD1-CD1 3.48Å; F176-L184 VanDerWaalsContact CD1-CD1 3.48Å; F176-L184 HydrophobicContact CD1-CD2 3.86Å; F176-L184 HydrophobicContact CD1-CG 4.24Å; F176-L184 HydrophobicContact CE1-CB 4.42Å; F176-L184 HydrophobicContact CE1-CD1 3.3Å; F176-L184 HydrophobicContact CE1-CD2 3.38Å; F176-L184 HydrophobicContact CE1-CG 3.79Å; F176-L184 HydrophobicContact CZ-CD2 4.42Å; K179-L184 HydrophobicContact CB-CD1 4.09Å; K179-L184 HydrophobicContact CB-CD2 3.9Å; K179-L184 HydrophobicContact CB-CG 3.91Å; K179-L184 HydrophobicContact CD-CD2 4Å; K179-L184 WeakPolarHBondContact O-CD1 3.43Å; T180-L184 WeakPolarHBondContact O-CD1 3.11Å; T180-L184 PolarHBondContact O-N 2.97Å; L181-L184 PolarHBondContact O-N 2.81Å; H182-L184 PolarHBondContact O-N 3.25Å
185C48.1Very low51.8Low30 Ų3086.3 Ų86.320%0.20343%0.428CS..  trans-125.785168.7-87.30000110.5F161 I165 L181 H182 Q187 L188F161-C185 HydrophobicContact CE2-CB 3.81Å; F161-C185 WeakPolarHBondContact CE2-SG 3.48Å; I165-C185 WeakPolarHBondContact CD1-SG 3.3Å; L181-C185 PolarHBondContact O-N 3.16Å; H182-C185 CarbonylContact O-C 3.32Å; C185-Q187 PolarHBondContact O-N 3.24Å; C185-L188 HydrophobicContact CB-CB 4.21Å; C185-L188 WeakPolarHBondContact O-CB 3.43Å; C185-L188 PolarHBondContact O-N 3.06Å
186P49Very low54Low88 Ų8881.5 Ų81.557%0.57139%0.394SS*.THydrogen-bonded Turntrans-61.5-13.6173.222.7-32000113H182 L188H182-P186 WeakPolarHBondContact O-CA 3.49Å; P186-L188 VanDerWaalsContact C-N 3.32Å
187Q44.7Very low56.2Low173 Ų17381.7 Ų81.781%0.80840%0.395SS*.THydrogen-bonded Turntrans-74-21.4173.8-33.8-64.55.200112.8C185 P189C185-Q187 PolarHBondContact O-N 3.24Å; Q187-P189 WeakPolarHBondContact O-CD 3.34Å
188L50.8Low58.6Low46 Ų4672.8 Ų72.824%0.24135%0.354CS..SBendtrans-84.3117.5177.9-14695.2000107.4L181 H182 C185 P186 L190L181-L188 HydrophobicContact CD2-CD2 3.43Å; L181-L188 VanDerWaalsContact CD2-CD2 3.43Å; L181-L188 HydrophobicContact CG-CD2 4.18Å; H182-L188 PolarHBondContact CD2-O 3.06Å; C185-L188 HydrophobicContact CB-CB 4.21Å; C185-L188 WeakPolarHBondContact O-CB 3.43Å; C185-L188 PolarHBondContact O-N 3.06Å; P186-L188 VanDerWaalsContact C-N 3.32Å; L188-L190 PolarHBondContact O-N 3.41Å
189P49.5Very low61.1Low72 Ų7261.4 Ų61.447%0.46831%0.311SS..  trans-59.5130.6-179.2-19.429.8000110.1Q187 R191 K192Q187-P189 WeakPolarHBondContact O-CD 3.34Å; P189-R191 HydrophobicContact CB-CB 4.45Å; P189-R191 PolarHBondContact O-N 2.87Å; P189-K192 PolarHBondContact O-N 3.15Å
190L47Very low63.7Low117 Ų11755.9 Ų55.961%0.61329%0.287SS*.G310 helixtrans-44.6-33.7170.9-88158.3000112.3H182 L188 K192H182-L190 HydrophobicContact CB-CD2 3.78Å; H182-L190 HydrophobicContact CB-CG 4.28Å; H182-L190 VanDerWaalsContact CD2-CG 3.44Å; H182-L190 WeakPolarHBondContact CD2-CG 3.13Å; L188-L190 PolarHBondContact O-N 3.41Å; L190-K192 PolarHBondContact O-N 3.27Å; L190-K192 VanDerWaalsContact O-N 3.1Å
191R51.4Low65.9Low137 Ų13753.2 Ų53.252%0.51727%0.271SS..G310 helixtrans-56.7-22.3178.3-67.1-171.2179.3-147.90.4114.3P189 G413P189-R191 HydrophobicContact CB-CB 4.45Å; P189-R191 PolarHBondContact O-N 2.87Å; R191-G413 PolarHBondContact NH1-OXT 3.01Å
192K60.4Low68.2Low87 Ų8753.1 Ų53.138%0.37827%0.27SS..G310 helixtrans-87.8-36.9-175-73.6-161.9174-161.50114.9L149 P189 L190L149-K192 CarbonylContact C-O 3.38Å; L149-K192 WeakPolarHBondContact CA-O 3.46Å; L149-K192 WeakPolarHBondContact CB-O 3.28Å; L149-K192 PolarHBondContact N-O 3.26Å; P189-K192 PolarHBondContact O-N 3.15Å; L190-K192 PolarHBondContact O-N 3.27Å; L190-K192 VanDerWaalsContact O-N 3.1Å
193C69.3Low70.3Confident22 Ų2250.4 Ų50.415%0.14926%0.258CS..  trans-133.468.1-172.5-53.70000112.3L149 L181L149-C193 WeakPolarHBondContact O-CA 3.05Å; L181-C193 HydrophobicContact CD2-CB 3.59Å
194P77.2Confident72.3Confident26 Ų2645.5 Ų45.517%0.16924%0.235CC..  trans-68.9144.717529.7-33.7000110.8P150 T151 F196 I407P150-P194 VanDerWaalsContact CA-O 3.24Å; P150-P194 WeakPolarHBondContact CA-O 3.3Å; P150-P194 HydrophobicContact CB-CG 4.21Å; T151-P194 PolarHBondContact N-O 3.29Å; P194-F196 PolarHBondContact O-N 2.76Å; P194-I407 HydrophobicContact CB-CD1 4.01Å; P194-I407 HydrophobicContact CB-CG1 4.05Å; P194-I407 HydrophobicContact CG-CD1 3.67Å; P194-I407 HydrophobicContact CG-CG1 3.82Å; P194-I407 HydrophobicContact CG-CG2 4.18Å
195L82.3Confident74.6Confident66 Ų6644.5 Ų44.535%0.34623%0.231SC..BIsolated β-bridgetrans-69.7123.1168.4-174.966.5000108.7H197L195-H197 VanDerWaalsContact CD2-CE1 3.48Å; L195-H197 WeakPolarHBondContact CD2-CE1 3.38Å
196F88.1Confident76.6Confident0 Ų047.3 Ų47.30%024%0.241CC..  trans-13377.3-174.9-173.3-118.1000109.6V22 F110 L112 P150 T151 I152 P194 L400 R403 L404 I407V22-F196 HydrophobicContact CG2-CE1 3.6Å; V22-F196 HydrophobicContact CG2-CZ 4.06Å; F110-F196 HydrophobicContact CZ-CE1 4.46Å; L112-F196 HydrophobicContact CD2-CD1 3.79Å; L112-F196 HydrophobicContact CD2-CE1 3.83Å; P150-F196 HydrophobicContact CB-CB 3.56Å; P150-F196 HydrophobicContact CB-CD1 4.22Å; P150-F196 HydrophobicContact CB-CG 4.13Å; T151-F196 PolarHBondContact O-N 3.47Å; I152-F196 WeakPolarHBondContact CA-O 3.4Å; P194-F196 PolarHBondContact O-N 2.76Å; F196-L400 HydrophobicContact CD1-CD1 4.45Å; F196-L400 HydrophobicContact CD2-CD1 4.47Å; F196-L400 HydrophobicContact CE1-CD1 3.72Å; F196-L400 HydrophobicContact CE2-CD1 3.73Å; F196-L400 HydrophobicContact CE2-CG 4.32Å; F196-L400 HydrophobicContact CZ-CD1 3.31Å; F196-L400 HydrophobicContact CZ-CG 3.88Å; F196-R403 HydrophobicContact CD2-CB 3.93Å; F196-R403 HydrophobicContact CE2-CB 3.92Å; F196-L404 HydrophobicContact CE2-CB 3.98Å; F196-L404 HydrophobicContact CZ-CB 4.08Å; F196-L404 HydrophobicContact CZ-CD1 4.21Å; F196-I407 HydrophobicContact CB-CD1 4.15Å; F196-I407 HydrophobicContact CD2-CD1 3.57Å; F196-I407 HydrophobicContact CE2-CD1 4.23Å; F196-I407 HydrophobicContact CG-CD1 4.04Å
197H92.2Very high78.5Confident23 Ų2343.5 Ų43.511%0.10622%0.217CC..PPolyproline II helixtrans-59.3130.3179.5-67.7138.1000110.9I152 L195 F324 E348 F395 L400I152-H197 PolarHBondContact O-CD2 3.28Å; I152-H197 VanDerWaalsContact O-CD2 3.3Å; L195-H197 VanDerWaalsContact CD2-CE1 3.48Å; L195-H197 WeakPolarHBondContact CD2-CE1 3.38Å; H197-F324 HydrophobicContact CB-CE2 4.12Å; H197-F324 HydrophobicContact CB-CZ 4.1Å; H197-F324 AromaticContact CD2-CE2 3.59Å; H197-E348 IonicContact CD2-OE2 3.92Å; H197-E348 IonicContact CE1-OE2 2.9Å; H197-E348 IonicContact NE2-OE2 3.74Å; H197-E348 PolarHBondContact NE2-OE2 2.82Å; H197-F395 HydrophobicContact CB-CD1 4.35Å; H197-F395 HydrophobicContact CB-CE1 4.04Å; H197-L400 WeakPolarHBondContact O-CD1 3.21Å
198P94.3Very high80.7Confident3 Ų338.2 Ų38.22%0.01919%0.192CC..PPolyproline II helixtrans-55.6156.7168.8-27.135.3000112.7N18 I152 F324 L326N18-P198 HydrophobicContact CB-CB 4.49Å; N18-P198 WeakPolarHBondContact OD1-CA 3.41Å; N18-P198 WeakPolarHBondContact OD1-CB 3.49Å; I152-P198 HydrophobicContact CB-CG 3.9Å; I152-P198 HydrophobicContact CG2-CG 3.93Å; I152-P198 WeakPolarHBondContact O-CD 3.48Å; P198-F324 HydrophobicContact CB-CD1 3.8Å; P198-F324 HydrophobicContact CB-CE1 3.66Å; P198-F324 HydrophobicContact CB-CZ 4.48Å; P198-F324 HydrophobicContact CG-CD1 3.57Å; P198-F324 HydrophobicContact CG-CE1 3.83Å; P198-F324 HydrophobicContact CG-CG 4.04Å; P198-L326 HydrophobicContact CB-CD2 3.59Å; P198-L326 HydrophobicContact CG-CD2 4.42Å
199C96.1Very high82.5Confident1 Ų142.5 Ų42.51%0.00721%0.211CC..PPolyproline II helixtrans-88168.3167.160.70000111.8L326 F395 L400C199-L326 VanDerWaalsContact O-CD2 3.29Å; C199-L326 WeakPolarHBondContact O-CD2 3.26Å; C199-F395 CarbonylContact C-O 3.59Å; C199-F395 WeakPolarHBondContact CA-O 3.3Å; C199-F395 VanDerWaalsContact CB-O 3.3Å; C199-F395 WeakPolarHBondContact CB-O 3.44Å; C199-L400 HydrophobicContact CB-CB 3.96Å; C199-L400 HydrophobicContact CB-CD2 4.4Å
200L96.6Very high84.1Confident2 Ų241.6 Ų41.61%0.0121%0.207CC..SBendtrans-55.9127.4157.3173.172.9000107.7T202 V204 V205 L329 E330 Y333 V391 F395 M396L200-T202 PolarHBondContact O-N 3.45Å; L200-V204 HydrophobicContact CD1-CG1 4.3Å; L200-V205 HydrophobicContact CD2-CG2 3.57Å; L200-V205 HydrophobicContact CG-CG2 4.3Å; L200-L329 HydrophobicContact CB-CB 4.4Å; L200-L329 HydrophobicContact CD1-CB 4.03Å; L200-E330 HydrophobicContact CD1-CB 4.32Å; L200-E330 HydrophobicContact CD1-CG 3.95Å; L200-Y333 HydrophobicContact CD1-CG 4.46Å; L200-Y333 HydrophobicContact CD2-CD1 3.92Å; L200-Y333 HydrophobicContact CD2-CD2 3.37Å; L200-Y333 HydrophobicContact CD2-CE1 4.35Å; L200-Y333 HydrophobicContact CD2-CE2 3.86Å; L200-Y333 HydrophobicContact CD2-CG 3.41Å; L200-Y333 VanDerWaalsContact CD2-CG 3.41Å; L200-V391 HydrophobicContact CB-CG1 4.19Å; L200-V391 HydrophobicContact CD2-CG1 4.18Å; L200-F395 PolarHBondContact N-O 3.35Å; L200-M396 HydrophobicContact CD2-SD 4.39Å
201P96.2Very high85.5Confident0 Ų043.8 Ų43.80%021%0.214CC..PPolyproline II helixtrans-51.4126.7-178.4-30.336.6000112.2F17 D21 L203 V204 L326F17-P201 HydrophobicContact CB-CB 4.34Å; F17-P201 HydrophobicContact CB-CG 4.27Å; F17-P201 HydrophobicContact CD1-CB 4.3Å; D21-P201 WeakPolarHBondContact OD2-CA 3.27Å; P201-L203 PolarHBondContact O-N 3.02Å; P201-L203 VanDerWaalsContact O-N 3.11Å; P201-V204 HydrophobicContact CB-CG2 3.97Å; P201-V204 HydrophobicContact CG-CG2 4.43Å; P201-V204 WeakPolarHBondContact O-CB 3.28Å; P201-V204 PolarHBondContact O-N 3.03Å; P201-L326 HydrophobicContact CG-CB 4.34Å; P201-L326 HydrophobicContact CG-CD1 4.08Å
202T94.7Very high86.4Confident10 Ų1042.5 Ų42.56%0.06122%0.217CC..Hα-helixtrans-59.5-29.9-17752.70000112.3D21 K24 L200 V204 V205 Q206 H397D21-T202 VanDerWaalsContact OD1-CB 3.28Å; D21-T202 WeakPolarHBondContact OD1-CB 3.45Å; D21-T202 WeakPolarHBondContact OD1-CG2 3.38Å; D21-T202 PolarHBondContact OD1-N 3Å; D21-T202 PolarHBondContact OD1-OG1 3.23Å; D21-T202 PolarHBondContact OD2-N 2.66Å; K24-T202 HydrophobicContact CD-CG2 4.38Å; L200-T202 PolarHBondContact O-N 3.45Å; T202-V204 VanDerWaalsContact C-N 3.28Å; T202-V204 PolarHBondContact O-N 2.96Å; T202-V205 PolarHBondContact O-N 2.89Å; T202-Q206 WeakPolarHBondContact O-CG 3.19Å; T202-Q206 PolarHBondContact O-N 2.82Å; T202-H397 HydrophobicContact CG2-CB 3.64Å; T202-H397 VanDerWaalsContact CG2-CG 3.43Å; T202-H397 WeakPolarHBondContact CG2-ND1 3.28Å
203L92.8Very high86.9Confident8 Ų841.3 Ų41.34%0.04221%0.21CC..Hα-helixtrans-64.9-30.6178.4-53.2179.4000112.8F17 Y20 Y43 L47 P201 Q206 A207F17-L203 HydrophobicContact CD1-CD1 3.85Å; F17-L203 HydrophobicContact CE1-CD1 3.78Å; Y20-L203 HydrophobicContact CE1-CD1 4.46Å; Y20-L203 HydrophobicContact CE1-CD2 3.87Å; Y20-L203 HydrophobicContact CE1-CG 4.2Å; Y43-L203 WeakPolarHBondContact OH-CD1 3.48Å; L47-L203 HydrophobicContact CD1-CD1 3.46Å; L47-L203 VanDerWaalsContact CD1-CD1 3.46Å; L47-L203 HydrophobicContact CD1-CD2 4.21Å; L47-L203 HydrophobicContact CD1-CG 4.49Å; L47-L203 HydrophobicContact CD2-CD1 4.41Å; L47-L203 HydrophobicContact CD2-CD2 3.7Å; P201-L203 PolarHBondContact O-N 3.02Å; P201-L203 VanDerWaalsContact O-N 3.11Å; L203-Q206 PolarHBondContact O-N 3.27Å; L203-A207 VanDerWaalsContact O-CB 3.26Å; L203-A207 WeakPolarHBondContact O-CB 3.44Å; L203-A207 PolarHBondContact O-N 3.35Å
204V92.5Very high87Confident0 Ų042.4 Ų42.40%022%0.217CC..Hα-helixtrans-69-39.7176.4172.80000110.5L200 P201 T202 H208 E330 F334L200-V204 HydrophobicContact CD1-CG1 4.3Å; P201-V204 HydrophobicContact CB-CG2 3.97Å; P201-V204 HydrophobicContact CG-CG2 4.43Å; P201-V204 WeakPolarHBondContact O-CB 3.28Å; P201-V204 PolarHBondContact O-N 3.03Å; T202-V204 VanDerWaalsContact C-N 3.28Å; T202-V204 PolarHBondContact O-N 2.96Å; V204-H208 WeakPolarHBondContact O-CB 3.15Å; V204-H208 PolarHBondContact O-N 2.88Å; V204-H208 VanDerWaalsContact O-N 3.11Å; V204-E330 HydrophobicContact CG1-CG 4.34Å; V204-E330 HydrophobicContact CG2-CG 3.89Å; V204-F334 HydrophobicContact CG1-CE2 3.64Å; V204-F334 HydrophobicContact CG1-CZ 4.08Å
205V93Very high86.5Confident23 Ų2346.1 Ų46.114%0.13925%0.25CC..Hα-helixtrans-66.5-47.8175.1-178.30000110.1L200 T202 A207 H208 E209 Y333 M396L200-V205 HydrophobicContact CD2-CG2 3.57Å; L200-V205 HydrophobicContact CG-CG2 4.3Å; T202-V205 PolarHBondContact O-N 2.89Å; V205-A207 PolarHBondContact O-N 3.27Å; V205-H208 WeakPolarHBondContact O-CB 3.33Å; V205-H208 PolarHBondContact O-N 2.94Å; V205-H208 VanDerWaalsContact O-N 3.16Å; V205-E209 HydrophobicContact CG1-CG 4.39Å; V205-E209 WeakPolarHBondContact CG1-OE1 3.41Å; V205-E209 WeakPolarHBondContact O-CG 3.4Å; V205-E209 PolarHBondContact O-N 2.95Å; V205-Y333 HydrophobicContact CG2-CE2 4.45Å; V205-M396 HydrophobicContact CG2-CE 4.46Å
206Q91.2Very high85.9Confident90 Ų9044 Ų4442%0.42124%0.239SC..Hα-helixtrans-60.2-42.5178-70.7174.8-9.200112.7T202 L203 H208 E209 S210T202-Q206 WeakPolarHBondContact O-CG 3.19Å; T202-Q206 PolarHBondContact O-N 2.82Å; L203-Q206 PolarHBondContact O-N 3.27Å; Q206-H208 VanDerWaalsContact C-N 3.32Å; Q206-H208 PolarHBondContact O-N 3.33Å; Q206-E209 PolarHBondContact O-N 3.21Å; Q206-S210 PolarHBondContact O-N 2.99Å; Q206-S210 VanDerWaalsContact O-N 3.13Å
207A89.1Confident84.6Confident8 Ų845.9 Ų45.97%0.06626%0.258CS..Hα-helixtrans-63-41.3176.800000111.2L203 V205 S210 E302 T306L203-A207 VanDerWaalsContact O-CB 3.26Å; L203-A207 WeakPolarHBondContact O-CB 3.44Å; L203-A207 PolarHBondContact O-N 3.35Å; V205-A207 PolarHBondContact O-N 3.27Å; A207-S210 PolarHBondContact O-N 3.44Å; A207-S210 PolarHBondContact O-OG 2.8Å; A207-E302 HydrophobicContact CB-CB 4.16Å; A207-T306 WeakPolarHBondContact CB-OG1 3.25Å
208H89.6Confident83Confident62 Ų6249.8 Ų49.829%0.28729%0.288SS..Hα-helixtrans-63.3-45.6175.8-174.829.3000112.9V204 V205 Q206 S210 E211 Y213 T306 Q310 Y333 F334V204-H208 WeakPolarHBondContact O-CB 3.15Å; V204-H208 PolarHBondContact O-N 2.88Å; V204-H208 VanDerWaalsContact O-N 3.11Å; V205-H208 WeakPolarHBondContact O-CB 3.33Å; V205-H208 PolarHBondContact O-N 2.94Å; V205-H208 VanDerWaalsContact O-N 3.16Å; Q206-H208 VanDerWaalsContact C-N 3.32Å; Q206-H208 PolarHBondContact O-N 3.33Å; H208-S210 PolarHBondContact O-N 2.91Å; H208-E211 PolarHBondContact O-N 2.89Å; H208-Y213 PolarHBondContact ND1-OH 3.02Å; H208-Y213 PolarHBondContact O-OH 3.17Å; H208-T306 HydrophobicContact CB-CG2 4.36Å; H208-Q310 PolarHBondContact CE1-NE2 3.47Å; H208-Q310 PolarHBondContact ND1-NE2 2.83Å; H208-Y333 HydrophobicContact CB-CE1 4.48Å; H208-Y333 AromaticContact CD2-CE1 3.76Å; H208-F334 HydrophobicContact CB-CE1 4.05Å; H208-F334 HydrophobicContact CB-CZ 4.02Å; H208-F334 AromaticContact CD2-CE1 3.94Å; H208-F334 AromaticContact CG-CE1 3.65Å; H208-F334 AromaticContact ND1-CE1 3.77Å
209E88.5Confident82Confident136 Ų13654.6 Ų54.664%0.63631%0.314SS*.Hα-helixtrans-68.1-22.3-179.2-71.7175172.800113.2V205 Q206 E211V205-E209 HydrophobicContact CG1-CG 4.39Å; V205-E209 WeakPolarHBondContact CG1-OE1 3.41Å; V205-E209 WeakPolarHBondContact O-CG 3.4Å; V205-E209 PolarHBondContact O-N 2.95Å; Q206-E209 PolarHBondContact O-N 3.21Å; E209-E211 PolarHBondContact O-N 3.43Å
210S84.3Confident81.4Confident53 Ų5355.6 Ų55.637%0.37132%0.319SS..THydrogen-bonded Turntrans-70-11.2179.676.20000114.6Q206 A207 H208 N212Q206-S210 PolarHBondContact O-N 2.99Å; Q206-S210 VanDerWaalsContact O-N 3.13Å; A207-S210 PolarHBondContact O-N 3.44Å; A207-S210 PolarHBondContact O-OG 2.8Å; H208-S210 PolarHBondContact O-N 2.91Å; S210-N212 PolarHBondContact O-N 2.85Å
211E74.7Confident80.7Confident163 Ų16362.8 Ų62.876%0.76235%0.352SS*.  trans48.18177.9-67.5-170.5172.100117.3H208 E209H208-E211 PolarHBondContact O-N 2.89Å; E209-E211 PolarHBondContact O-N 3.43Å
212N70.8Confident80.3Confident109 Ų10965.2 Ų65.258%0.58338%0.378SS*.  trans-112.487.2-176.5-168.81.7000109.9S210 K303S210-N212 PolarHBondContact O-N 2.85Å; N212-K303 WeakPolarHBondContact O-CD 3.49Å
213Y70.8Confident80.3Confident62 Ų6267.7 Ų67.724%0.24340%0.395CS..  trans-89.7134-179.3-52.5-71.3000110.8H208 T306 Q310H208-Y213 PolarHBondContact ND1-OH 3.02Å; H208-Y213 PolarHBondContact O-OH 3.17Å; Y213-T306 HydrophobicContact CD1-CG2 4.17Å; Y213-T306 HydrophobicContact CE1-CG2 3.43Å; Y213-T306 VanDerWaalsContact CE1-CG2 3.43Å; Y213-Q310 VanDerWaalsContact CZ-NE2 3.29Å; Y213-Q310 PolarHBondContact OH-NE2 2.8Å
214P72.1Confident80.5Confident46 Ų4667.6 Ų67.630%0.29940%0.395SS..  trans-62.2143.9172.424-29000110.2L216 K303 E304P214-L216 HydrophobicContact CG-CG 4.48Å; P214-L216 PolarHBondContact O-N 2.57Å; P214-K303 HydrophobicContact CG-CB 4.42Å; P214-E304 HydrophobicContact CB-CG 4.42Å; P214-E304 HydrophobicContact CG-CB 4.44Å; P214-E304 HydrophobicContact CG-CG 3.43Å; P214-E304 VanDerWaalsContact CG-CG 3.43Å
215A65.7Low80.8Confident103 Ų10367.6 Ų67.685%0.85140%0.395SS*.  trans-72.379.4174.400000110.3G217A215-G217 VanDerWaalsContact C-N 3.29Å
216L70.2Confident81.1Confident21 Ų2166.5 Ų66.511%0.1139%0.388CS..  trans-79.9-12.1173.5-79171.8000113.5P214 S218 N219 E304 Y307 F308P214-L216 HydrophobicContact CG-CG 4.48Å; P214-L216 PolarHBondContact O-N 2.57Å; L216-S218 PolarHBondContact O-N 3.26Å; L216-N219 PolarHBondContact O-N 3.21Å; L216-E304 HydrophobicContact CD1-CB 3.64Å; L216-E304 HydrophobicContact CD1-CG 3.65Å; L216-E304 HydrophobicContact CD2-CG 4.22Å; L216-E304 HydrophobicContact CG-CG 4.11Å; L216-Y307 HydrophobicContact CB-CD1 3.89Å; L216-Y307 HydrophobicContact CB-CE1 3.85Å; L216-Y307 HydrophobicContact CB-CG 4.44Å; L216-Y307 HydrophobicContact CD1-CD1 3.66Å; L216-Y307 HydrophobicContact CD1-CE1 4.4Å; L216-Y307 HydrophobicContact CD1-CG 4.1Å; L216-Y307 HydrophobicContact CG-CD1 4.45Å; L216-F308 HydrophobicContact CD1-CD2 4.38Å; L216-F308 HydrophobicContact CD1-CE2 3.72Å; L216-F308 HydrophobicContact CD1-CZ 3.9Å
217G60.3Low81.4Confident40 Ų4062.2 Ų62.241%0.41237%0.368SS..G310 helixtrans-61.9-12.4-168.100000115.7A215 N219A215-G217 VanDerWaalsContact C-N 3.29Å; G217-N219 PolarHBondContact O-N 3.5Å
218S60.4Low81.8Confident105 Ų10562.3 Ų62.373%0.73437%0.367SS*.G310 helixtrans-69.8-18-179.164.10000114.3L216L216-S218 PolarHBondContact O-N 3.26Å
219N73.2Confident82Confident104 Ų10460 Ų6056%0.55636%0.357SS*.G310 helixtrans-113.14.2-172.6-65.7-7.6000114.2L216 G217 F297L216-N219 PolarHBondContact O-N 3.21Å; G217-N219 PolarHBondContact O-N 3.5Å; N219-F297 HydrophobicContact CB-CZ 4.29Å
220I83.3Confident82.3Confident22 Ų2256.2 Ų56.211%0.11334%0.337CS..  trans-119.2121.2-177-59.2164.8000107.9F224 I262 F297 Y307 F308I220-F224 HydrophobicContact CG2-CD1 3.74Å; I220-F224 HydrophobicContact CG2-CE1 4.14Å; I220-I262 HydrophobicContact CG1-CD1 4.48Å; I220-F297 HydrophobicContact CG1-CZ 4.19Å; I220-Y307 HydrophobicContact CD1-CE1 3.79Å; I220-F308 HydrophobicContact CD1-CD1 4.21Å; I220-F308 HydrophobicContact CD1-CE1 3.56Å; I220-F308 HydrophobicContact CD1-CZ 4.44Å
221E81.1Confident82.8Confident153 Ų15353.7 Ų53.772%0.71532%0.319SS*.  trans-108.1111.4-177.7-66.9-178.8-177.600109.1Q260E221-Q260 WeakPolarHBondContact O-CG 3.3Å; E221-Q260 PolarHBondContact O-OE1 3.11Å
222G88.3Confident83.6Confident52 Ų5245.9 Ų45.954%0.53628%0.283SS..SBendtrans81.4-153.417800000114.2Q258G222-Q258 CarbonylContact C-O 3.58Å; G222-Q258 WeakPolarHBondContact CA-O 3.44Å
223S94.7Very high84.6Confident61 Ų6143.6 Ų43.643%0.42727%0.274SS..EExtended strand (participates in β ladder)trans-92.7152.2-177.5-57.20000110.8Q258 L259 Q260S223-Q258 PolarHBondContact N-O 2.73Å; S223-L259 CarbonylContact O-C 3.47Å; S223-L259 WeakPolarHBondContact O-CA 3.49Å; S223-Q260 PolarHBondContact O-N 2.97Å
224F97.3Very high85.5Confident6 Ų645 Ų453%0.02628%0.283CS..EExtended strand (participates in β ladder)trans-140147.7-176.564.2-84.7000115.6I220 L226 Q260 I262 F308 N311 C312 I313I220-F224 HydrophobicContact CG2-CD1 3.74Å; I220-F224 HydrophobicContact CG2-CE1 4.14Å; F224-L226 HydrophobicContact CD2-CB 4.44Å; F224-L226 HydrophobicContact CE2-CB 4.35Å; F224-Q260 CarbonylContact C-O 3.53Å; F224-Q260 WeakPolarHBondContact CA-O 3.29Å; F224-Q260 HydrophobicContact CB-CB 4.13Å; F224-Q260 WeakPolarHBondContact CB-O 3.31Å; F224-I262 HydrophobicContact CB-CD1 4.46Å; F224-I262 HydrophobicContact CB-CG1 3.64Å; F224-I262 HydrophobicContact CD1-CG1 4.38Å; F224-I262 HydrophobicContact CD2-CB 3.85Å; F224-I262 HydrophobicContact CD2-CG1 3.47Å; F224-I262 VanDerWaalsContact CD2-CG1 3.47Å; F224-I262 HydrophobicContact CE2-CB 4.4Å; F224-I262 HydrophobicContact CE2-CG1 4.19Å; F224-I262 HydrophobicContact CG-CB 4.45Å; F224-I262 HydrophobicContact CG-CG1 3.58Å; F224-F308 HydrophobicContact CE2-CD1 4.08Å; F224-F308 HydrophobicContact CZ-CD1 4.13Å; F224-N311 HydrophobicContact CE1-CB 3.98Å; F224-N311 HydrophobicContact CZ-CB 3.94Å; F224-C312 HydrophobicContact CD2-CB 3.83Å; F224-C312 HydrophobicContact CE2-CB 3.4Å; F224-C312 HydrophobicContact CZ-CB 3.99Å; F224-C312 WeakPolarHBondContact O-CA 3.16Å; F224-I313 WeakPolarHBondContact O-CB 3.27Å; F224-I313 PolarHBondContact O-N 2.68Å
225F98.5Very high86.5Confident0 Ų044.3 Ų44.30%028%0.275CS..EExtended strand (participates in β ladder)trans-83.2146.3158.7-73.5-89.1000109.6F244 L247 L259 Q260 L261 I262 I313 A314 L316 M370 V373 L374F225-F244 HydrophobicContact CD2-CD2 4.48Å; F225-F244 HydrophobicContact CD2-CE2 4.45Å; F225-L247 HydrophobicContact CD2-CD2 4.39Å; F225-L247 HydrophobicContact CE2-CD2 3.78Å; F225-L247 HydrophobicContact CZ-CD2 4.42Å; F225-L259 HydrophobicContact CD2-CD1 4Å; F225-L259 HydrophobicContact CD2-CD2 4.15Å; F225-L259 HydrophobicContact CD2-CG 4.34Å; F225-L259 HydrophobicContact CE2-CD1 3.93Å; F225-L259 HydrophobicContact CE2-CD2 3.9Å; F225-L259 HydrophobicContact CE2-CG 4.41Å; F225-Q260 PolarHBondContact N-O 3.33Å; F225-L261 HydrophobicContact CB-CD1 4.09Å; F225-I262 PolarHBondContact O-N 2.79Å; F225-I313 HydrophobicContact CE1-CG2 4.16Å; F225-I313 HydrophobicContact CE2-CD1 4.47Å; F225-I313 HydrophobicContact CZ-CG2 4.09Å; F225-A314 HydrophobicContact CD1-CB 3.88Å; F225-A314 HydrophobicContact CE1-CB 3.82Å; F225-L316 HydrophobicContact CB-CD1 4.09Å; F225-L316 HydrophobicContact CB-CG 4.35Å; F225-L316 HydrophobicContact CD1-CD2 4.06Å; F225-L316 HydrophobicContact CD1-CG 4.35Å; F225-M370 HydrophobicContact CB-CE 4.27Å; F225-M370 HydrophobicContact CD1-CE 4.02Å; F225-M370 HydrophobicContact CD1-CG 4.13Å; F225-M370 HydrophobicContact CD2-CE 3.68Å; F225-M370 HydrophobicContact CE1-CB 3.86Å; F225-M370 HydrophobicContact CE1-CE 4.28Å; F225-M370 HydrophobicContact CE1-CG 3.75Å; F225-M370 HydrophobicContact CE2-CB 4.33Å; F225-M370 HydrophobicContact CE2-CE 3.97Å; F225-M370 HydrophobicContact CG-CE 3.71Å; F225-M370 HydrophobicContact CZ-CB 3.69Å; F225-M370 HydrophobicContact CZ-CE 4.27Å; F225-M370 HydrophobicContact CZ-CG 4.07Å; F225-V373 HydrophobicContact CE1-CG1 4.41Å; F225-L374 HydrophobicContact CE2-CD1 4.09Å; F225-L374 HydrophobicContact CE2-CD2 4.25Å; F225-L374 HydrophobicContact CE2-CG 4.27Å; F225-L374 HydrophobicContact CZ-CD1 4.26Å; F225-L374 HydrophobicContact CZ-CD2 4.25Å; F225-L374 HydrophobicContact CZ-CG 4.06Å
226L98.5Very high87.9Confident0 Ų041.2 Ų41.20%024%0.244CC..EExtended strand (participates in β ladder)trans-111.9129.5-179.6178.263000110.5F224 L228 I262 V264 F308 L309 C312 A314 L315 L316F224-L226 HydrophobicContact CD2-CB 4.44Å; F224-L226 HydrophobicContact CE2-CB 4.35Å; L226-L228 HydrophobicContact CD1-CB 4.39Å; L226-L228 HydrophobicContact CD2-CB 4.22Å; L226-L228 HydrophobicContact CD2-CD2 4.47Å; L226-L228 HydrophobicContact CG-CB 4.06Å; L226-I262 CarbonylContact C-O 3.58Å; L226-I262 WeakPolarHBondContact CA-O 3.44Å; L226-I262 HydrophobicContact CD1-CB 4.44Å; L226-I262 HydrophobicContact CD1-CG2 4.44Å; L226-V264 HydrophobicContact CD1-CB 4.15Å; L226-V264 HydrophobicContact CD1-CG2 3.52Å; L226-F308 HydrophobicContact CD1-CB 4.02Å; L226-F308 HydrophobicContact CD1-CG 4.5Å; L226-F308 HydrophobicContact CD2-CB 3.98Å; L226-L309 HydrophobicContact CD2-CD2 3.95Å; L226-L309 HydrophobicContact CD2-CG 4.21Å; L226-C312 HydrophobicContact CB-CB 3.62Å; L226-C312 HydrophobicContact CD2-CB 4.36Å; L226-A314 PolarHBondContact N-O 3.14Å; L226-L315 HydrophobicContact CB-CD1 4.42Å; L226-L315 HydrophobicContact CD2-CD1 4.14Å; L226-L315 HydrophobicContact CG-CD1 4.08Å; L226-L315 CarbonylContact O-C 3.58Å; L226-L315 WeakPolarHBondContact O-CA 3.37Å; L226-L316 PolarHBondContact O-N 3.16Å
227S98.3Very high89.2Confident0 Ų040.2 Ų40.20%024%0.239CC..EExtended strand (participates in β ladder)trans-111.3113.2162.3-176.70000107.9H237 I262 I263 V264S227-H237 PolarHBondContact OG-ND1 3.32Å; S227-I262 PolarHBondContact N-O 3.32Å; S227-I263 WeakPolarHBondContact O-CA 3.28Å; S227-V264 PolarHBondContact O-N 3.41Å
228L96.9Very high91.1Very high10 Ų1039 Ų395%0.05222%0.223CC..EExtended strand (participates in β ladder)trans-122.2107.8-172.6173.365.9000109.5L226 V264 K305 L309 L315 V327L226-L228 HydrophobicContact CD1-CB 4.39Å; L226-L228 HydrophobicContact CD2-CB 4.22Å; L226-L228 HydrophobicContact CD2-CD2 4.47Å; L226-L228 HydrophobicContact CG-CB 4.06Å; L228-V264 WeakPolarHBondContact CA-O 3.5Å; L228-V264 HydrophobicContact CD1-CB 3.7Å; L228-V264 HydrophobicContact CD1-CG1 3.59Å; L228-K305 HydrophobicContact CD1-CD 4.21Å; L228-K305 HydrophobicContact CD1-CG 4Å; L228-K305 HydrophobicContact CD2-CD 4.05Å; L228-K305 HydrophobicContact CD2-CG 3.85Å; L228-L309 HydrophobicContact CD2-CD1 4.12Å; L228-L309 HydrophobicContact CD2-CD2 3.88Å; L228-L309 HydrophobicContact CD2-CG 4.04Å; L228-L315 HydrophobicContact CB-CD1 3.88Å; L228-V327 HydrophobicContact CB-CG1 3.87Å; L228-V327 HydrophobicContact CD2-CG1 3.77Å; L228-V327 HydrophobicContact CG-CG1 3.85Å; L228-V327 HydrophobicContact CG-CG2 4.35Å; L228-V327 VanDerWaalsContact O-CG1 3.3Å; L228-V327 WeakPolarHBondContact O-CG1 3.4Å
229N94.7Very high92.9Very high15 Ų1534.3 Ų34.38%0.0819%0.189CC..SBendtrans-165.7166175-83.6-65.7000109.3K235 V264 G265 P319N229-K235 HydrophobicContact CB-CB 3.74Å; N229-K235 HydrophobicContact CB-CD 4.03Å; N229-K235 HydrophobicContact CB-CG 3.89Å; N229-V264 PolarHBondContact N-O 2.8Å; N229-V264 VanDerWaalsContact N-O 3.13Å; N229-V264 VanDerWaalsContact O-O 3.12Å; N229-G265 WeakPolarHBondContact O-CA 3.29Å; N229-P319 WeakPolarHBondContact ND2-CD 3.25Å; N229-P319 WeakPolarHBondContact ND2-CG 3.47Å
230R93.5Very high94.1Very high55 Ų5529.4 Ų29.421%0.20816%0.163CC..  trans-55.3143.9167.7-168.2-169.5-61.7163.8-6.7110.4A11 S232 K235 H237 N266A11-R230 PolarHBondContact O-NH2 3.26Å; R230-S232 VanDerWaalsContact C-N 3.34Å; R230-S232 PolarHBondContact O-N 3Å; R230-K235 WeakPolarHBondContact O-CB 3.32Å; R230-K235 WeakPolarHBondContact O-CG 3.26Å; R230-H237 PolarHBondContact O-NE2 3.09Å; R230-N266 WeakPolarHBondContact CG-O 3.35Å
231I95.8Very high94.8Very high0 Ų028.3 Ų28.30%016%0.158CC..SBendtrans-75.988.2174.8-53.9-57000109.5I263 N266 L267 C274 Y277 F278 L281 L298I231-I263 HydrophobicContact CD1-CG2 4.17Å; I231-N266 PolarHBondContact N-O 3.36Å; I231-L267 HydrophobicContact CB-CB 4.43Å; I231-L267 HydrophobicContact CB-CD1 4.19Å; I231-L267 HydrophobicContact CG1-CB 4.41Å; I231-L267 HydrophobicContact CG2-CD1 4.14Å; I231-C274 VanDerWaalsContact O-CB 3.29Å; I231-C274 WeakPolarHBondContact O-CB 3.35Å; I231-C274 PolarHBondContact O-SG 3.19Å; I231-C274 VanDerWaalsContact O-SG 3.33Å; I231-Y277 HydrophobicContact CG2-CD1 3.89Å; I231-Y277 HydrophobicContact CG2-CE1 4.3Å; I231-F278 HydrophobicContact CG2-CB 3.76Å; I231-F278 HydrophobicContact CG2-CD2 3.97Å; I231-F278 HydrophobicContact CG2-CG 4.27Å; I231-L281 HydrophobicContact CG2-CD1 4.36Å; I231-L298 HydrophobicContact CD1-CD2 4.13Å; I231-L298 HydrophobicContact CG1-CD2 3.68Å
232S92.3Very high95.6Very high0 Ų025.6 Ų25.60%014%0.143CC..SBendtrans-151.6152.5177.657.80000112.1R230 E234 K235 Y277R230-S232 VanDerWaalsContact C-N 3.34Å; R230-S232 PolarHBondContact O-N 3Å; S232-E234 VanDerWaalsContact C-N 3.26Å; S232-E234 VanDerWaalsContact CB-CD 3.45Å; S232-E234 WeakPolarHBondContact CB-OE1 3.41Å; S232-E234 WeakPolarHBondContact CB-OE2 3.31Å; S232-E234 PolarHBondContact O-N 3.41Å; S232-E234 PolarHBondContact OG-OE1 2.67Å; S232-E234 PolarHBondContact OG-OE2 2.96Å; S232-K235 WeakPolarHBondContact O-CB 3.42Å; S232-K235 PolarHBondContact O-N 3.41Å; S232-K235 WeakPolarHBondContact OG-CG 3.17Å; S232-Y277 VanDerWaalsContact C-CD1 3.43Å; S232-Y277 WeakPolarHBondContact O-CE1 3.43Å
233P92Very high96.1Very high61 Ų6123.1 Ų23.140%0.39612%0.118SC..G310 helixtrans-53.9-39.1-174.5-27.534.9000114.5K235 N236 Y277P233-K235 PolarHBondContact O-N 2.95Å; P233-K235 VanDerWaalsContact O-N 3.16Å; P233-N236 PolarHBondContact O-N 3.32Å; P233-N236 VanDerWaalsContact O-N 3.12Å; P233-Y277 HydrophobicContact CB-CD2 4.09Å; P233-Y277 HydrophobicContact CB-CE2 4.28Å; P233-Y277 HydrophobicContact CG-CD2 3.81Å; P233-Y277 HydrophobicContact CG-CE2 4.46Å; P233-Y277 HydrophobicContact CG-CG 3.87Å
234E89.1Confident96.3Very high90 Ų9020.2 Ų20.242%0.42110%0.097SC..G310 helixtrans-67-13.7-179.971.6-79.6-176.700113.5S232 P320S232-E234 VanDerWaalsContact C-N 3.26Å; S232-E234 VanDerWaalsContact CB-CD 3.45Å; S232-E234 WeakPolarHBondContact CB-OE1 3.41Å; S232-E234 WeakPolarHBondContact CB-OE2 3.31Å; S232-E234 PolarHBondContact O-N 3.41Å; S232-E234 PolarHBondContact OG-OE1 2.67Å; S232-E234 PolarHBondContact OG-OE2 2.96Å; E234-P320 WeakPolarHBondContact O-CD 3.33Å
235K93Very high96.3Very high33 Ų3320.9 Ų20.914%0.14310%0.104CC..G310 helixtrans-90.3-12.1176.1-58.5-60.2176.7178.30113.5N229 R230 S232 P233 H237 T318 P319 E322N229-K235 HydrophobicContact CB-CB 3.74Å; N229-K235 HydrophobicContact CB-CD 4.03Å; N229-K235 HydrophobicContact CB-CG 3.89Å; R230-K235 WeakPolarHBondContact O-CB 3.32Å; R230-K235 WeakPolarHBondContact O-CG 3.26Å; S232-K235 WeakPolarHBondContact O-CB 3.42Å; S232-K235 PolarHBondContact O-N 3.41Å; S232-K235 WeakPolarHBondContact OG-CG 3.17Å; P233-K235 PolarHBondContact O-N 2.95Å; P233-K235 VanDerWaalsContact O-N 3.16Å; K235-H237 PolarHBondContact O-N 3.18Å; K235-T318 PolarHBondContact O-OG1 3.33Å; K235-P319 HydrophobicContact CB-CG 4.31Å; K235-P319 HydrophobicContact CD-CB 4.1Å; K235-P319 HydrophobicContact CD-CG 3.67Å; K235-E322 IonicContact NZ-OE1 2.91Å; K235-E322 PolarHBondContact NZ-OE1 3.24Å; K235-E322 IonicContact NZ-OE2 2.88Å; K235-E322 PolarHBondContact NZ-OE2 3.48Å
236N95.6Very high96.3Very high38 Ų3824.7 Ų24.720%0.20312%0.121CC..  trans53.647.4165.6-172.330.1000114.1P233 E238 L239 T318P233-N236 PolarHBondContact O-N 3.32Å; P233-N236 VanDerWaalsContact O-N 3.12Å; N236-E238 PolarHBondContact O-N 2.91Å; N236-E238 VanDerWaalsContact O-N 3.11Å; N236-L239 WeakPolarHBondContact ND2-CB 3.19Å; N236-L239 WeakPolarHBondContact O-CB 3.4Å; N236-L239 PolarHBondContact O-N 3.34Å; N236-T318 PolarHBondContact ND2-O 3.37Å; N236-T318 VanDerWaalsContact O-CB 3.26Å; N236-T318 WeakPolarHBondContact O-CB 3.29Å; N236-T318 PolarHBondContact O-OG1 3.18Å
237H97.7Very high96.3Very high0 Ų024.7 Ų24.70%012%0.121CC..Hα-helixtrans-59.6-19.2174-68.4-74.7000112.6S227 R230 K235 L239 A240 I241 Y277 L281S227-H237 PolarHBondContact OG-ND1 3.32Å; R230-H237 PolarHBondContact O-NE2 3.09Å; K235-H237 PolarHBondContact O-N 3.18Å; H237-L239 PolarHBondContact O-N 2.85Å; H237-A240 WeakPolarHBondContact O-CB 3.06Å; H237-A240 PolarHBondContact O-N 2.8Å; H237-A240 VanDerWaalsContact O-N 3.14Å; H237-I241 WeakPolarHBondContact O-CG1 3.24Å; H237-I241 PolarHBondContact O-N 3.08Å; H237-I241 VanDerWaalsContact O-N 3.11Å; H237-Y277 PolarHBondContact N-OH 3.14Å; H237-L281 HydrophobicContact CB-CD1 3.87Å; H237-L281 HydrophobicContact CB-CD2 3.98Å
238E98.2Very high96.2Very high15 Ų1530 Ų307%0.0714%0.144CC..Hα-helixtrans-57.1-34.9171.2-63.599.7131.700112.7N236 I241 K242 Y277 K280 L281 M284N236-E238 PolarHBondContact O-N 2.91Å; N236-E238 VanDerWaalsContact O-N 3.11Å; E238-I241 PolarHBondContact O-N 3.49Å; E238-K242 WeakPolarHBondContact O-CB 3.49Å; E238-K242 VanDerWaalsContact O-CG 3.27Å; E238-K242 WeakPolarHBondContact O-CG 3.15Å; E238-K242 PolarHBondContact O-N 2.94Å; E238-Y277 WeakPolarHBondContact OE1-CE2 3.33Å; E238-Y277 VanDerWaalsContact OE2-CE2 3.27Å; E238-Y277 WeakPolarHBondContact OE2-CE2 3.43Å; E238-Y277 VanDerWaalsContact OE2-CZ 3.28Å; E238-Y277 PolarHBondContact OE2-OH 3.07Å; E238-K280 IonicContact OE1-NZ 2.92Å; E238-K280 PolarHBondContact OE1-NZ 3.48Å; E238-L281 HydrophobicContact CG-CD2 3.87Å; E238-M284 HydrophobicContact CB-CE 4.18Å; E238-M284 HydrophobicContact CB-SD 4.01Å; E238-M284 HydrophobicContact CG-SD 3.73Å
239L98.2Very high96.1Very high6 Ų636.2 Ų36.23%0.03118%0.177CC..Hα-helixtrans-63.1-45.4176.8176.759.1000110.3N236 H237 I241 K242 S243 T318 A361 P363 F366N236-L239 WeakPolarHBondContact ND2-CB 3.19Å; N236-L239 WeakPolarHBondContact O-CB 3.4Å; N236-L239 PolarHBondContact O-N 3.34Å; H237-L239 PolarHBondContact O-N 2.85Å; L239-I241 PolarHBondContact O-N 2.81Å; L239-K242 PolarHBondContact O-N 2.93Å; L239-S243 VanDerWaalsContact O-CB 3.28Å; L239-S243 WeakPolarHBondContact O-CB 3.2Å; L239-S243 PolarHBondContact O-N 2.75Å; L239-S243 PolarHBondContact O-OG 3.11Å; L239-T318 HydrophobicContact CB-CG2 3.9Å; L239-T318 HydrophobicContact CD2-CG2 4.12Å; L239-T318 HydrophobicContact CG-CG2 4.03Å; L239-A361 HydrophobicContact CD2-CB 4.22Å; L239-P363 HydrophobicContact CD1-CG 4.01Å; L239-F366 HydrophobicContact CD2-CD1 4.43Å; L239-F366 HydrophobicContact CD2-CD2 4.3Å; L239-F366 HydrophobicContact CD2-CE1 4.15Å; L239-F366 HydrophobicContact CD2-CE2 4.03Å; L239-F366 HydrophobicContact CD2-CZ 3.95Å; L239-F366 HydrophobicContact CG-CD1 4.45Å
240A98.5Very high96.2Very high0 Ų039.2 Ų39.20%019%0.192CC..Hα-helixtrans-59.7-46177.200000111.4H237 S243 F244 L261 L316 T318H237-A240 WeakPolarHBondContact O-CB 3.06Å; H237-A240 PolarHBondContact O-N 2.8Å; H237-A240 VanDerWaalsContact O-N 3.14Å; A240-S243 PolarHBondContact O-N 3.26Å; A240-F244 VanDerWaalsContact O-CB 3.22Å; A240-F244 WeakPolarHBondContact O-CB 3.46Å; A240-F244 PolarHBondContact O-N 3.48Å; A240-L261 HydrophobicContact CB-CD1 4.48Å; A240-L261 HydrophobicContact CB-CD2 4.24Å; A240-L316 HydrophobicContact CB-CD1 4.05Å; A240-T318 HydrophobicContact CB-CG2 3.83Å
241I98.7Very high96.3Very high0 Ų037.4 Ų37.40%019%0.187CC..Hα-helixtrans-63.3-47.7179.4-60.3164.8000110.9H237 E238 L239 S243 F244 A245 L261 I263 L281 M284 V285 M288 L290H237-I241 WeakPolarHBondContact O-CG1 3.24Å; H237-I241 PolarHBondContact O-N 3.08Å; H237-I241 VanDerWaalsContact O-N 3.11Å; E238-I241 PolarHBondContact O-N 3.49Å; L239-I241 PolarHBondContact O-N 2.81Å; I241-S243 PolarHBondContact O-N 3.03Å; I241-F244 PolarHBondContact O-N 3.17Å; I241-A245 PolarHBondContact O-N 2.88Å; I241-L261 HydrophobicContact CG1-CD2 4.13Å; I241-I263 HydrophobicContact CD1-CD1 3.86Å; I241-I263 HydrophobicContact CG1-CD1 3.67Å; I241-L281 HydrophobicContact CD1-CB 4.47Å; I241-L281 HydrophobicContact CD1-CD2 3.88Å; I241-M284 HydrophobicContact CB-CE 3.77Å; I241-M284 HydrophobicContact CG2-CE 3.68Å; I241-V285 HydrophobicContact CD1-CG2 3.94Å; I241-V285 HydrophobicContact CG1-CG2 4.4Å; I241-V285 HydrophobicContact CG2-CG2 4.2Å; I241-M288 HydrophobicContact CG2-SD 4.13Å; I241-L290 HydrophobicContact CG2-CD1 4.2Å
242K98.6Very high96.2Very high95 Ų9541.3 Ų41.341%0.41321%0.212SC..Hα-helixtrans-64.2-41.2179.6-71.3169.7-174.3175.60112.3E238 L239 A245 K246 M284 P363E238-K242 WeakPolarHBondContact O-CB 3.49Å; E238-K242 VanDerWaalsContact O-CG 3.27Å; E238-K242 WeakPolarHBondContact O-CG 3.15Å; E238-K242 PolarHBondContact O-N 2.94Å; L239-K242 PolarHBondContact O-N 2.93Å; K242-A245 PolarHBondContact O-N 2.84Å; K242-K246 PolarHBondContact O-N 3.12Å; K242-K246 VanDerWaalsContact O-N 3.15Å; K242-M284 HydrophobicContact CD-CE 4.05Å; K242-M284 HydrophobicContact CG-CE 3.39Å; K242-P363 HydrophobicContact CB-CB 3.77Å; K242-P363 HydrophobicContact CB-CG 3.55Å; K242-P363 HydrophobicContact CD-CG 4.05Å; K242-P363 HydrophobicContact CG-CG 4.38Å
243S98.5Very high96.3Very high0 Ų043.7 Ų43.70%024%0.237CC..Hα-helixtrans-64.9-43.5176.7-66.10000111.8L239 A240 I241 A245 K246 L247 P363 F366 S367L239-S243 VanDerWaalsContact O-CB 3.28Å; L239-S243 WeakPolarHBondContact O-CB 3.2Å; L239-S243 PolarHBondContact O-N 2.75Å; L239-S243 PolarHBondContact O-OG 3.11Å; A240-S243 PolarHBondContact O-N 3.26Å; I241-S243 PolarHBondContact O-N 3.03Å; S243-A245 VanDerWaalsContact C-N 3.33Å; S243-A245 PolarHBondContact O-N 3.37Å; S243-K246 PolarHBondContact O-N 3.44Å; S243-L247 PolarHBondContact O-N 2.85Å; S243-P363 VanDerWaalsContact OG-CA 3.29Å; S243-P363 WeakPolarHBondContact OG-CA 3.44Å; S243-P363 PolarHBondContact OG-O 3.34Å; S243-F366 WeakPolarHBondContact OG-CB 3.41Å; S243-S367 VanDerWaalsContact O-CB 3.31Å; S243-S367 WeakPolarHBondContact O-CB 3.4Å
244F98.4Very high96.4Very high0 Ų048.6 Ų48.60%026%0.255CS..Hα-helixtrans-64.2-38.9177.2-175.1-97.6000112F225 A240 I241 K246 L247 W256 L259 L261 K293 V294 M370F225-F244 HydrophobicContact CD2-CD2 4.48Å; F225-F244 HydrophobicContact CD2-CE2 4.45Å; A240-F244 VanDerWaalsContact O-CB 3.22Å; A240-F244 WeakPolarHBondContact O-CB 3.46Å; A240-F244 PolarHBondContact O-N 3.48Å; I241-F244 PolarHBondContact O-N 3.17Å; F244-K246 PolarHBondContact O-N 3.14Å; F244-L247 HydrophobicContact CD2-CD2 4.48Å; F244-L247 WeakPolarHBondContact O-CB 3.16Å; F244-L247 PolarHBondContact O-N 3.04Å; F244-W256 AromaticContact CD1-CH2 3.81Å; F244-W256 HydrophobicContact CD1-CH2 3.81Å; F244-W256 HydrophobicContact CD1-CZ3 4.11Å; F244-W256 AromaticContact CE1-CH2 3.35Å; F244-W256 HydrophobicContact CE1-CH2 3.35Å; F244-W256 HydrophobicContact CE1-CZ2 4.27Å; F244-W256 AromaticContact CE1-CZ3 3.63Å; F244-W256 HydrophobicContact CE1-CZ3 3.63Å; F244-W256 HydrophobicContact CE2-CZ3 4.25Å; F244-W256 AromaticContact CZ-CH2 3.9Å; F244-W256 HydrophobicContact CZ-CH2 3.9Å; F244-W256 AromaticContact CZ-CZ3 3.72Å; F244-W256 HydrophobicContact CZ-CZ3 3.72Å; F244-W256 WeakPolarHBondContact O-CZ3 3.45Å; F244-L259 HydrophobicContact CE2-CD2 3.75Å; F244-L259 HydrophobicContact CE2-CG 3.87Å; F244-L259 HydrophobicContact CZ-CD2 4.34Å; F244-L259 HydrophobicContact CZ-CG 4.29Å; F244-L261 HydrophobicContact CB-CB 4.32Å; F244-L261 HydrophobicContact CB-CD2 3.89Å; F244-L261 HydrophobicContact CD1-CB 3.9Å; F244-L261 HydrophobicContact CD2-CB 3.75Å; F244-L261 HydrophobicContact CE1-CB 4.14Å; F244-L261 HydrophobicContact CE2-CB 3.98Å; F244-L261 HydrophobicContact CG-CB 3.71Å; F244-L261 HydrophobicContact CG-CD2 4.19Å; F244-L261 HydrophobicContact CG-CG 4.44Å; F244-L261 HydrophobicContact CZ-CB 4.18Å; F244-K293 HydrophobicContact CE1-CB 3.77Å; F244-K293 HydrophobicContact CZ-CB 4.33Å; F244-V294 HydrophobicContact CD1-CG2 4.3Å; F244-M370 HydrophobicContact CB-CE 4.09Å; F244-M370 HydrophobicContact CD2-CE 3.73Å; F244-M370 HydrophobicContact CG-CE 4.41Å
245A98.1Very high96.6Very high20 Ų2048.8 Ų48.817%0.16525%0.254CS..Hα-helixtrans-59.8-45.6173.400000112.4I241 K242 S243 L247 K248 M288 L290I241-A245 PolarHBondContact O-N 2.88Å; K242-A245 PolarHBondContact O-N 2.84Å; S243-A245 VanDerWaalsContact C-N 3.33Å; S243-A245 PolarHBondContact O-N 3.37Å; A245-L247 VanDerWaalsContact C-N 3.3Å; A245-L247 PolarHBondContact O-N 3.36Å; A245-K248 VanDerWaalsContact O-CB 3.24Å; A245-K248 WeakPolarHBondContact O-CB 3.37Å; A245-K248 PolarHBondContact O-N 2.78Å; A245-M288 HydrophobicContact CB-CE 3.23Å; A245-L290 HydrophobicContact CB-CD1 3.84Å
246K97.9Very high96.7Very high80 Ų8048 Ų4835%0.34825%0.25SS..Hα-helixtrans-67.9-27.9177.9-75.8176.9179.8-96.40113.3K242 S243 F244 K248 D249 P363 E364K242-K246 PolarHBondContact O-N 3.12Å; K242-K246 VanDerWaalsContact O-N 3.15Å; S243-K246 PolarHBondContact O-N 3.44Å; F244-K246 PolarHBondContact O-N 3.14Å; K246-K248 PolarHBondContact O-N 2.83Å; K246-D249 PolarHBondContact O-N 3.47Å; K246-P363 HydrophobicContact CD-CB 3.65Å; K246-E364 HydrophobicContact CD-CG 4.26Å; K246-E364 WeakPolarHBondContact CE-OE1 3.35Å; K246-E364 IonicContact NZ-OE1 2.95Å; K246-E364 PolarHBondContact NZ-OE1 3.05Å
247L97.7Very high96.6Very high0 Ų052.4 Ų52.40%027%0.27CS..Hα-helixtrans-58.9-31176.7179.164.5000111.9F225 S243 F244 A245 D249 L250 I251 L259 M370 L374F225-L247 HydrophobicContact CD2-CD2 4.39Å; F225-L247 HydrophobicContact CE2-CD2 3.78Å; F225-L247 HydrophobicContact CZ-CD2 4.42Å; S243-L247 PolarHBondContact O-N 2.85Å; F244-L247 HydrophobicContact CD2-CD2 4.48Å; F244-L247 WeakPolarHBondContact O-CB 3.16Å; F244-L247 PolarHBondContact O-N 3.04Å; A245-L247 VanDerWaalsContact C-N 3.3Å; A245-L247 PolarHBondContact O-N 3.36Å; L247-D249 PolarHBondContact O-N 3.07Å; L247-L250 HydrophobicContact CD1-CB 4.43Å; L247-L250 PolarHBondContact O-N 3.39Å; L247-I251 HydrophobicContact CD1-CG2 3.73Å; L247-I251 HydrophobicContact CD2-CD1 4.49Å; L247-I251 HydrophobicContact CG-CD1 4.19Å; L247-I251 HydrophobicContact CG-CG2 4.27Å; L247-I251 PolarHBondContact O-N 3.28Å; L247-L259 HydrophobicContact CD2-CD2 3.48Å; L247-L259 VanDerWaalsContact CD2-CD2 3.48Å; L247-M370 HydrophobicContact CD1-CB 4.02Å; L247-M370 HydrophobicContact CD2-CB 4.03Å; L247-M370 HydrophobicContact CD2-CE 3.72Å; L247-L374 HydrophobicContact CD1-CD1 4.4Å; L247-L374 HydrophobicContact CD2-CD1 4.12Å
248K96.5Very high96.4Very high113 Ų11358.9 Ų58.949%0.49130%0.3SS..G310 helixtrans-50.5-39.2176.9-176-179.7177.2-176.90112.8A245 K246 L250 W256A245-K248 VanDerWaalsContact O-CB 3.24Å; A245-K248 WeakPolarHBondContact O-CB 3.37Å; A245-K248 PolarHBondContact O-N 2.78Å; K246-K248 PolarHBondContact O-N 2.83Å; K248-L250 VanDerWaalsContact C-N 3.28Å; K248-L250 PolarHBondContact O-N 3.04Å; K248-W256 HydrophobicContact CB-CD2 3.91Å; K248-W256 HydrophobicContact CB-CE3 3.81Å; K248-W256 HydrophobicContact CB-CH2 3.91Å; K248-W256 HydrophobicContact CB-CZ2 4.02Å; K248-W256 HydrophobicContact CB-CZ3 3.82Å; K248-W256 HydrophobicContact CD-CD2 4.43Å; K248-W256 HydrophobicContact CD-CZ2 3.95Å; K248-W256 HydrophobicContact CG-CD2 3.78Å; K248-W256 HydrophobicContact CG-CE3 4.21Å; K248-W256 HydrophobicContact CG-CG 4.11Å; K248-W256 HydrophobicContact CG-CH2 4.48Å; K248-W256 HydrophobicContact CG-CZ2 4.09Å
249D95.8Very high96.4Very high139 Ų13958.4 Ų58.474%0.74330%0.298SS*.G310 helixtrans-80.9-9.6-177.3-56.9-35.8000113K246 L247K246-D249 PolarHBondContact O-N 3.47Å; L247-D249 PolarHBondContact O-N 3.07Å
250L96.2Very high96.3Very high78 Ų7858.5 Ų58.541%0.40830%0.298SS..G310 helixtrans-105.2-7.2-175-59.4179.1000113.7L247 K248 V368L247-L250 HydrophobicContact CD1-CB 4.43Å; L247-L250 PolarHBondContact O-N 3.39Å; K248-L250 VanDerWaalsContact C-N 3.28Å; K248-L250 PolarHBondContact O-N 3.04Å; L250-V368 HydrophobicContact CD1-CG2 4.09Å
251I95.3Very high96.3Very high17 Ų1758.5 Ų58.59%0.08730%0.298CS..SBendtrans-129.3154-175.868175.3000112L247 K255 W256 L259 L374L247-I251 HydrophobicContact CD1-CG2 3.73Å; L247-I251 HydrophobicContact CD2-CD1 4.49Å; L247-I251 HydrophobicContact CG-CD1 4.19Å; L247-I251 HydrophobicContact CG-CG2 4.27Å; L247-I251 PolarHBondContact O-N 3.28Å; I251-K255 HydrophobicContact CD1-CB 4.17Å; I251-W256 HydrophobicContact CD1-CB 4.05Å; I251-W256 HydrophobicContact CD1-CE3 4.24Å; I251-W256 HydrophobicContact CG1-CB 4.2Å; I251-L259 HydrophobicContact CD1-CD2 3.96Å; I251-L374 HydrophobicContact CD1-CD1 4.23Å; I251-L374 HydrophobicContact CG2-CD1 4.02Å
252P94.5Very high96.3Very high82 Ų8258.5 Ų58.553%0.53230%0.298SS..  trans-57.2143.7173.5-24.634.4000112.3E254 K255 W256P252-E254 PolarHBondContact O-N 3.03Å; P252-K255 PolarHBondContact O-N 2.95Å; P252-W256 PolarHBondContact O-N 2.97Å; P252-W256 VanDerWaalsContact O-N 3.1Å
253G94.1Very high96.3Very high51 Ų5154 Ų5453%0.52628%0.278SS..Hα-helixtrans-55.5-35.9-177.800000113.9W256 Q257G253-W256 WeakPolarHBondContact O-CB 3.4Å; G253-W256 PolarHBondContact O-N 2.92Å; G253-Q257 WeakPolarHBondContact O-CG 3.25Å; G253-Q257 PolarHBondContact O-N 2.71Å
254E93.3Very high96.2Very high164 Ų16454 Ų5477%0.76628%0.278SS*.Hα-helixtrans-61.5-43.6175.7-64.8174.9-174.600112.4P252 Q257P252-E254 PolarHBondContact O-N 3.03Å; E254-Q257 PolarHBondContact O-N 3.45Å
255K93.3Very high96Very high93 Ų9354.1 Ų54.140%0.40428%0.28SS..Hα-helixtrans-65.2-42175.1-73.7-166.4176.3-176.90111I251 P252 Q257 Q258 L259 L374I251-K255 HydrophobicContact CD1-CB 4.17Å; P252-K255 PolarHBondContact O-N 2.95Å; K255-Q257 PolarHBondContact O-N 2.98Å; K255-Q258 PolarHBondContact O-N 2.94Å; K255-L259 WeakPolarHBondContact O-CB 3.22Å; K255-L259 PolarHBondContact O-N 3.05Å; K255-L374 PolarHBondContact NZ-O 3.47Å
256W95.8Very high95.8Very high18 Ų1854.6 Ų54.67%0.06828%0.28CS..Hα-helixtrans-59.7-34.2175.6175-103.2000112.4F244 K248 I251 P252 G253 Q258 L259 L290 K293F244-W256 AromaticContact CD1-CH2 3.81Å; F244-W256 HydrophobicContact CD1-CH2 3.81Å; F244-W256 HydrophobicContact CD1-CZ3 4.11Å; F244-W256 AromaticContact CE1-CH2 3.35Å; F244-W256 HydrophobicContact CE1-CH2 3.35Å; F244-W256 HydrophobicContact CE1-CZ2 4.27Å; F244-W256 AromaticContact CE1-CZ3 3.63Å; F244-W256 HydrophobicContact CE1-CZ3 3.63Å; F244-W256 HydrophobicContact CE2-CZ3 4.25Å; F244-W256 AromaticContact CZ-CH2 3.9Å; F244-W256 HydrophobicContact CZ-CH2 3.9Å; F244-W256 AromaticContact CZ-CZ3 3.72Å; F244-W256 HydrophobicContact CZ-CZ3 3.72Å; F244-W256 WeakPolarHBondContact O-CZ3 3.45Å; K248-W256 HydrophobicContact CB-CD2 3.91Å; K248-W256 HydrophobicContact CB-CE3 3.81Å; K248-W256 HydrophobicContact CB-CH2 3.91Å; K248-W256 HydrophobicContact CB-CZ2 4.02Å; K248-W256 HydrophobicContact CB-CZ3 3.82Å; K248-W256 HydrophobicContact CD-CD2 4.43Å; K248-W256 HydrophobicContact CD-CZ2 3.95Å; K248-W256 HydrophobicContact CG-CD2 3.78Å; K248-W256 HydrophobicContact CG-CE3 4.21Å; K248-W256 HydrophobicContact CG-CG 4.11Å; K248-W256 HydrophobicContact CG-CH2 4.48Å; K248-W256 HydrophobicContact CG-CZ2 4.09Å; I251-W256 HydrophobicContact CD1-CB 4.05Å; I251-W256 HydrophobicContact CD1-CE3 4.24Å; I251-W256 HydrophobicContact CG1-CB 4.2Å; P252-W256 PolarHBondContact O-N 2.97Å; P252-W256 VanDerWaalsContact O-N 3.1Å; G253-W256 WeakPolarHBondContact O-CB 3.4Å; G253-W256 PolarHBondContact O-N 2.92Å; W256-Q258 VanDerWaalsContact C-N 3.3Å; W256-Q258 PolarHBondContact O-N 3.14Å; W256-L259 PolarHBondContact O-N 3.28Å; W256-L290 HydrophobicContact CH2-CD2 4.05Å; W256-L290 HydrophobicContact CZ2-CD2 3.93Å; W256-K293 HydrophobicContact CZ2-CD 4.44Å; W256-K293 HydrophobicContact CZ2-CG 4.04Å; W256-K293 PolarHBondContact O-NZ 2.75Å
257Q94Very high95.7Very high130 Ų13051.6 Ų51.661%0.60727%0.267SS*.Hα-helixtrans-65.1-34.3179.4-71.2-57-4.400113.3G253 E254 K255 K293G253-Q257 WeakPolarHBondContact O-CG 3.25Å; G253-Q257 PolarHBondContact O-N 2.71Å; E254-Q257 PolarHBondContact O-N 3.45Å; K255-Q257 PolarHBondContact O-N 2.98Å; Q257-K293 VanDerWaalsContact CA-NZ 3.34Å; Q257-K293 PolarHBondContact O-NZ 3.34Å; Q257-K293 VanDerWaalsContact OE1-NZ 3.16Å
258Q93.9Very high95.3Very high135 Ų13552.2 Ų52.263%0.63127%0.27SS*.THydrogen-bonded Turntrans-93.47.7-178.8-59.7178.70.900113.8G222 S223 K255 W256G222-Q258 CarbonylContact C-O 3.58Å; G222-Q258 WeakPolarHBondContact CA-O 3.44Å; S223-Q258 PolarHBondContact N-O 2.73Å; K255-Q258 PolarHBondContact O-N 2.94Å; W256-Q258 VanDerWaalsContact C-N 3.3Å; W256-Q258 PolarHBondContact O-N 3.14Å
259L96.7Very high94.9Very high6 Ų654.3 Ų54.33%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-110133.6-173.1-16673.6000111.6S223 F225 F244 L247 I251 K255 W256 K293 I313 L374S223-L259 CarbonylContact O-C 3.47Å; S223-L259 WeakPolarHBondContact O-CA 3.49Å; F225-L259 HydrophobicContact CD2-CD1 4Å; F225-L259 HydrophobicContact CD2-CD2 4.15Å; F225-L259 HydrophobicContact CD2-CG 4.34Å; F225-L259 HydrophobicContact CE2-CD1 3.93Å; F225-L259 HydrophobicContact CE2-CD2 3.9Å; F225-L259 HydrophobicContact CE2-CG 4.41Å; F244-L259 HydrophobicContact CE2-CD2 3.75Å; F244-L259 HydrophobicContact CE2-CG 3.87Å; F244-L259 HydrophobicContact CZ-CD2 4.34Å; F244-L259 HydrophobicContact CZ-CG 4.29Å; L247-L259 HydrophobicContact CD2-CD2 3.48Å; L247-L259 VanDerWaalsContact CD2-CD2 3.48Å; I251-L259 HydrophobicContact CD1-CD2 3.96Å; K255-L259 WeakPolarHBondContact O-CB 3.22Å; K255-L259 PolarHBondContact O-N 3.05Å; W256-L259 PolarHBondContact O-N 3.28Å; L259-K293 WeakPolarHBondContact O-CD 3.05Å; L259-I313 HydrophobicContact CD1-CD1 3.39Å; L259-L374 HydrophobicContact CD1-CD2 4.41Å; L259-L374 HydrophobicContact CD2-CD1 4.18Å
260Q97.3Very high94.4Very high8 Ų852.4 Ų52.44%0.03726%0.264CS..EExtended strand (participates in β ladder)trans-124161174.3-64.9-175.5-42.400112E221 S223 F224 F225 I262 K293E221-Q260 WeakPolarHBondContact O-CG 3.3Å; E221-Q260 PolarHBondContact O-OE1 3.11Å; S223-Q260 PolarHBondContact O-N 2.97Å; F224-Q260 CarbonylContact C-O 3.53Å; F224-Q260 WeakPolarHBondContact CA-O 3.29Å; F224-Q260 HydrophobicContact CB-CB 4.13Å; F224-Q260 WeakPolarHBondContact CB-O 3.31Å; F225-Q260 PolarHBondContact N-O 3.33Å; Q260-I262 HydrophobicContact CB-CD1 4.26Å; Q260-K293 CarbonylContact C-O 3.51Å; Q260-K293 VanDerWaalsContact CA-O 3.28Å; Q260-K293 WeakPolarHBondContact CA-O 2.96Å; Q260-K293 WeakPolarHBondContact CB-O 3.42Å
261L98.2Very high93.9Very high0 Ų049.9 Ų49.90%025%0.25CC..EExtended strand (participates in β ladder)trans-110.9119.8162.9175.465.8000108.3F225 A240 I241 F244 I263 K293 V294 K295 L316F225-L261 HydrophobicContact CB-CD1 4.09Å; A240-L261 HydrophobicContact CB-CD1 4.48Å; A240-L261 HydrophobicContact CB-CD2 4.24Å; I241-L261 HydrophobicContact CG1-CD2 4.13Å; F244-L261 HydrophobicContact CB-CB 4.32Å; F244-L261 HydrophobicContact CB-CD2 3.89Å; F244-L261 HydrophobicContact CD1-CB 3.9Å; F244-L261 HydrophobicContact CD2-CB 3.75Å; F244-L261 HydrophobicContact CE1-CB 4.14Å; F244-L261 HydrophobicContact CE2-CB 3.98Å; F244-L261 HydrophobicContact CG-CB 3.71Å; F244-L261 HydrophobicContact CG-CD2 4.19Å; F244-L261 HydrophobicContact CG-CG 4.44Å; F244-L261 HydrophobicContact CZ-CB 4.18Å; L261-I263 HydrophobicContact CD2-CD1 4.2Å; L261-I263 HydrophobicContact CD2-CG1 4.25Å; L261-I263 HydrophobicContact CG-CG1 4.16Å; L261-K293 PolarHBondContact N-O 3.46Å; L261-V294 HydrophobicContact CB-CG2 4.14Å; L261-V294 HydrophobicContact CD2-CG1 4.27Å; L261-V294 HydrophobicContact CD2-CG2 4.21Å; L261-V294 CarbonylContact O-C 3.49Å; L261-V294 VanDerWaalsContact O-CA 3.29Å; L261-V294 WeakPolarHBondContact O-CA 3.25Å; L261-K295 PolarHBondContact O-N 2.93Å; L261-L316 HydrophobicContact CD1-CD1 3.91Å
262I97.7Very high93.6Very high0 Ų053.9 Ų53.90%028%0.277CS..EExtended strand (participates in β ladder)trans-102.3123174.4-53.2-56.2000108.5I220 F224 F225 L226 S227 Q260 V264 K295 F297 F308I220-I262 HydrophobicContact CG1-CD1 4.48Å; F224-I262 HydrophobicContact CB-CD1 4.46Å; F224-I262 HydrophobicContact CB-CG1 3.64Å; F224-I262 HydrophobicContact CD1-CG1 4.38Å; F224-I262 HydrophobicContact CD2-CB 3.85Å; F224-I262 HydrophobicContact CD2-CG1 3.47Å; F224-I262 VanDerWaalsContact CD2-CG1 3.47Å; F224-I262 HydrophobicContact CE2-CB 4.4Å; F224-I262 HydrophobicContact CE2-CG1 4.19Å; F224-I262 HydrophobicContact CG-CB 4.45Å; F224-I262 HydrophobicContact CG-CG1 3.58Å; F225-I262 PolarHBondContact O-N 2.79Å; L226-I262 CarbonylContact C-O 3.58Å; L226-I262 WeakPolarHBondContact CA-O 3.44Å; L226-I262 HydrophobicContact CD1-CB 4.44Å; L226-I262 HydrophobicContact CD1-CG2 4.44Å; S227-I262 PolarHBondContact N-O 3.32Å; Q260-I262 HydrophobicContact CB-CD1 4.26Å; I262-V264 HydrophobicContact CG2-CG2 3.82Å; I262-K295 HydrophobicContact CD1-CB 3.8Å; I262-K295 HydrophobicContact CD1-CG 4.13Å; I262-F297 HydrophobicContact CD1-CE2 4.19Å; I262-F297 HydrophobicContact CG2-CD2 3.54Å; I262-F297 HydrophobicContact CG2-CE2 3.77Å; I262-F308 HydrophobicContact CG2-CD1 3.93Å; I262-F308 HydrophobicContact CG2-CE1 3.68Å; I262-F308 HydrophobicContact CG2-CZ 4.41Å
263I98.2Very high93.3Very high0 Ų054.6 Ų54.60%027%0.273CS..EExtended strand (participates in β ladder)trans-105.5113.8175-60.4176.6000107.6S227 I231 I241 L261 V294 K295 F296 F297S227-I263 WeakPolarHBondContact O-CA 3.28Å; I231-I263 HydrophobicContact CD1-CG2 4.17Å; I241-I263 HydrophobicContact CD1-CD1 3.86Å; I241-I263 HydrophobicContact CG1-CD1 3.67Å; L261-I263 HydrophobicContact CD2-CD1 4.2Å; L261-I263 HydrophobicContact CD2-CG1 4.25Å; L261-I263 HydrophobicContact CG-CG1 4.16Å; I263-V294 HydrophobicContact CD1-CG1 3.8Å; I263-V294 HydrophobicContact CG1-CG1 4.32Å; I263-K295 PolarHBondContact N-O 2.83Å; I263-F296 HydrophobicContact CB-CD1 3.76Å; I263-F296 HydrophobicContact CB-CE1 4.05Å; I263-F296 HydrophobicContact CD1-CD1 4.14Å; I263-F296 HydrophobicContact CD1-CE1 3.52Å; I263-F296 HydrophobicContact CD1-CZ 4.02Å; I263-F296 HydrophobicContact CG1-CD1 4.49Å; I263-F296 HydrophobicContact CG1-CE1 4.33Å; I263-F296 HydrophobicContact CG2-CD1 3.84Å; I263-F296 HydrophobicContact CG2-CE1 4.06Å; I263-F296 CarbonylContact O-C 3.32Å; I263-F296 WeakPolarHBondContact O-CA 3.4Å; I263-F297 PolarHBondContact O-N 3.26Å
264V97.1Very high93.2Very high0 Ų052.2 Ų52.20%025%0.248CC..EExtended strand (participates in β ladder)trans-112.3129179.7-178.10000108.6L226 S227 L228 N229 I262 F297 V300 F308L226-V264 HydrophobicContact CD1-CB 4.15Å; L226-V264 HydrophobicContact CD1-CG2 3.52Å; S227-V264 PolarHBondContact O-N 3.41Å; L228-V264 WeakPolarHBondContact CA-O 3.5Å; L228-V264 HydrophobicContact CD1-CB 3.7Å; L228-V264 HydrophobicContact CD1-CG1 3.59Å; N229-V264 PolarHBondContact N-O 2.8Å; N229-V264 VanDerWaalsContact N-O 3.13Å; N229-V264 VanDerWaalsContact O-O 3.12Å; I262-V264 HydrophobicContact CG2-CG2 3.82Å; V264-F297 WeakPolarHBondContact CA-O 3.32Å; V264-F297 HydrophobicContact CG2-CB 4.28Å; V264-V300 HydrophobicContact CG1-CB 4.4Å; V264-V300 HydrophobicContact CG1-CG1 4.11Å; V264-V300 HydrophobicContact CG1-CG2 3.37Å; V264-F308 HydrophobicContact CG1-CD2 4.38Å; V264-F308 HydrophobicContact CG2-CB 4.4Å; V264-F308 HydrophobicContact CG2-CD1 4.2Å; V264-F308 HydrophobicContact CG2-CD2 3.68Å; V264-F308 HydrophobicContact CG2-CE1 4.39Å; V264-F308 HydrophobicContact CG2-CE2 3.93Å; V264-F308 HydrophobicContact CG2-CG 3.84Å; V264-F308 HydrophobicContact CG2-CZ 4.28Å
265G95.5Very high93.4Very high3 Ų346.9 Ų46.93%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-169.9149.8179.600000115.9N229 L267 F297 L298 N299N229-G265 WeakPolarHBondContact O-CA 3.29Å; G265-L267 PolarHBondContact O-N 2.94Å; G265-F297 PolarHBondContact N-O 3.3Å; G265-L298 VanDerWaalsContact O-CA 3.27Å; G265-L298 WeakPolarHBondContact O-CA 3.45Å; G265-N299 PolarHBondContact O-N 2.97Å
266N93.5Very high93.5Very high30 Ų3050.6 Ų50.616%0.1624%0.243CC..  trans-74.5124.5171.5-65.8-32.7000109.7H12 R230 I231 N299H12-N266 HydrophobicContact CB-CB 4.42Å; H12-N266 WeakPolarHBondContact CB-ND2 3.38Å; R230-N266 WeakPolarHBondContact CG-O 3.35Å; I231-N266 PolarHBondContact N-O 3.36Å; N266-N299 VanDerWaalsContact CA-OD1 3.23Å; N266-N299 WeakPolarHBondContact CA-OD1 3.23Å; N266-N299 WeakPolarHBondContact OD1-CA 3.42Å
267L94.7Very high93.6Very high17 Ų1750.1 Ų50.19%0.08924%0.241CC..  trans-102.7106.8171.8176.961.2000108.5I231 G265 E269 C274 V275 F278 L298 N299I231-L267 HydrophobicContact CB-CB 4.43Å; I231-L267 HydrophobicContact CB-CD1 4.19Å; I231-L267 HydrophobicContact CG1-CB 4.41Å; I231-L267 HydrophobicContact CG2-CD1 4.14Å; G265-L267 PolarHBondContact O-N 2.94Å; L267-E269 PolarHBondContact O-N 3.38Å; L267-C274 HydrophobicContact CD1-CB 4Å; L267-V275 HydrophobicContact CD1-CG2 4.42Å; L267-F278 HydrophobicContact CD1-CB 4.17Å; L267-F278 HydrophobicContact CD2-CB 4.37Å; L267-F278 HydrophobicContact CD2-CD1 4Å; L267-F278 HydrophobicContact CD2-CG 4.2Å; L267-L298 HydrophobicContact CB-CD1 4.12Å; L267-L298 HydrophobicContact CB-CD2 4.28Å; L267-L298 HydrophobicContact CD2-CD1 3.72Å; L267-N299 PolarHBondContact N-OD1 3.21Å; L267-N299 PolarHBondContact O-ND2 3Å; L267-N299 PolarHBondContact O-OD1 3.43Å
268L88.9Confident93.8Very high12 Ų1244.4 Ų44.46%0.06321%0.214CC..  trans-83.798.2177.1-61.3175.8000109.7A11 R270 Y271A11-L268 HydrophobicContact CB-CD1 3.8Å; L268-R270 PolarHBondContact O-N 2.88Å; L268-R270 VanDerWaalsContact O-N 3.16Å; L268-Y271 HydrophobicContact CB-CD2 3.83Å; L268-Y271 HydrophobicContact CB-CE2 4.44Å; L268-Y271 HydrophobicContact CB-CG 4.25Å; L268-Y271 HydrophobicContact CD1-CD2 3.53Å; L268-Y271 HydrophobicContact CD1-CE2 3.44Å; L268-Y271 VanDerWaalsContact CD1-CE2 3.44Å; L268-Y271 HydrophobicContact CG-CD2 4.35Å; L268-Y271 PolarHBondContact O-N 3.23Å
269E88.8Confident94Very high158 Ų15842.8 Ų42.874%0.73821%0.206SC*.THydrogen-bonded Turntrans-59.4-28.4-179.4-64.6-175.4179.300113.1L267 Y271L267-E269 PolarHBondContact O-N 3.38Å; E269-Y271 PolarHBondContact O-N 3.45Å; E269-Y271 VanDerWaalsContact O-N 3.14Å
270R85.4Confident94Very high98 Ų9847.9 Ų47.937%0.3723%0.229SC..THydrogen-bonded Turntrans-65.6-10.7174.868.5176.5-176.8-99.99.8114D9 F10 H39 L268 P272D9-R270 VanDerWaalsContact CG-NH2 3.3Å; D9-R270 IonicContact OD1-CZ 2.72Å; D9-R270 IonicContact OD1-NH2 3.4Å; D9-R270 PolarHBondContact OD1-NH2 2.91Å; D9-R270 IonicContact OD2-CZ 3.63Å; D9-R270 IonicContact OD2-NE 2.74Å; D9-R270 IonicContact OD2-NH2 3.6Å; D9-R270 PolarHBondContact OD2-NH2 2.93Å; F10-R270 PolarHBondContact O-NH2 3.21Å; H39-R270 PolarHBondContact CE1-NH1 2.74Å; L268-R270 PolarHBondContact O-N 2.88Å; L268-R270 VanDerWaalsContact O-N 3.16Å; R270-P272 WeakPolarHBondContact O-CD 3.2Å
271Y84.9Confident94.1Very high25 Ų2547.5 Ų47.510%0.09823%0.227CC..  trans-110.197.4178.2-66.9-17000110.5D9 L268 E269 H273 C274 V275D9-Y271 PolarHBondContact OD2-OH 2.98Å; L268-Y271 HydrophobicContact CB-CD2 3.83Å; L268-Y271 HydrophobicContact CB-CE2 4.44Å; L268-Y271 HydrophobicContact CB-CG 4.25Å; L268-Y271 HydrophobicContact CD1-CD2 3.53Å; L268-Y271 HydrophobicContact CD1-CE2 3.44Å; L268-Y271 VanDerWaalsContact CD1-CE2 3.44Å; L268-Y271 HydrophobicContact CG-CD2 4.35Å; L268-Y271 PolarHBondContact O-N 3.23Å; E269-Y271 PolarHBondContact O-N 3.45Å; E269-Y271 VanDerWaalsContact O-N 3.14Å; Y271-H273 AromaticContact CG-CE1 3.97Å; Y271-H273 PolarHBondContact O-N 2.71Å; Y271-H273 VanDerWaalsContact O-N 3.08Å; Y271-C274 WeakPolarHBondContact O-CB 3.48Å; Y271-C274 PolarHBondContact O-N 3.37Å; Y271-V275 PolarHBondContact O-N 2.98Å
272P89.6Confident94.1Very high101 Ų10153.9 Ų53.966%0.65625%0.251SS*.Hα-helixtrans-56.9-30.9-175.7-27.935.2000114.3R270 V275 K276R270-P272 WeakPolarHBondContact O-CD 3.2Å; P272-V275 PolarHBondContact O-N 2.95Å; P272-K276 WeakPolarHBondContact O-CB 3.3Å; P272-K276 PolarHBondContact O-N 3.07Å
273H88.3Confident94.1Very high98 Ų9859.5 Ų59.545%0.45428%0.275SS..Hα-helixtrans-67.8-34.817766.7-88.7000112.5Y271 Y277Y271-H273 AromaticContact CG-CE1 3.97Å; Y271-H273 PolarHBondContact O-N 2.71Å; Y271-H273 VanDerWaalsContact O-N 3.08Å; H273-Y277 WeakPolarHBondContact O-CB 3.48Å; H273-Y277 PolarHBondContact O-N 2.94Å
274C92.8Very high94.1Very high1 Ų160.8 Ų60.81%0.00728%0.281CS..Hα-helixtrans-65.7-44.2173.3-69.20000111.3I231 L267 Y271 Y277 F278I231-C274 VanDerWaalsContact O-CB 3.29Å; I231-C274 WeakPolarHBondContact O-CB 3.35Å; I231-C274 PolarHBondContact O-SG 3.19Å; I231-C274 VanDerWaalsContact O-SG 3.33Å; L267-C274 HydrophobicContact CD1-CB 4Å; Y271-C274 WeakPolarHBondContact O-CB 3.48Å; Y271-C274 PolarHBondContact O-N 3.37Å; C274-Y277 WeakPolarHBondContact O-CB 3.49Å; C274-Y277 PolarHBondContact O-N 3.18Å; C274-F278 PolarHBondContact O-N 3.27Å
275V96Very high94.2Very high52 Ų5261 Ų6132%0.31528%0.283SS..Hα-helixtrans-62.5-48.6177.5-179.30000110.9L267 Y271 P272 Y277 F278 E279L267-V275 HydrophobicContact CD1-CG2 4.42Å; Y271-V275 PolarHBondContact O-N 2.98Å; P272-V275 PolarHBondContact O-N 2.95Å; V275-Y277 VanDerWaalsContact C-N 3.27Å; V275-Y277 PolarHBondContact O-N 3.45Å; V275-F278 WeakPolarHBondContact O-CB 3.49Å; V275-F278 PolarHBondContact O-N 2.94Å; V275-E279 PolarHBondContact O-N 2.88Å; V275-E279 VanDerWaalsContact O-N 3.14Å
276K96.6Very high94.3Very high170 Ų17065.2 Ų65.274%0.73931%0.305SS*.Hα-helixtrans-60.1-38.2176.3-175.2178.6178.5-177.90112.3P272 E279 K280P272-K276 WeakPolarHBondContact O-CB 3.3Å; P272-K276 PolarHBondContact O-N 3.07Å; K276-E279 PolarHBondContact O-N 3.18Å; K276-K280 PolarHBondContact O-N 2.91Å; K276-K280 VanDerWaalsContact O-N 3.1Å
277Y97.2Very high94.5Very high8 Ų868.3 Ų68.33%0.03132%0.321CS..Hα-helixtrans-66.9-41.2176.8176.3-109000112.2I231 S232 P233 H237 E238 H273 C274 V275 E279 K280 L281I231-Y277 HydrophobicContact CG2-CD1 3.89Å; I231-Y277 HydrophobicContact CG2-CE1 4.3Å; S232-Y277 VanDerWaalsContact C-CD1 3.43Å; S232-Y277 WeakPolarHBondContact O-CE1 3.43Å; P233-Y277 HydrophobicContact CB-CD2 4.09Å; P233-Y277 HydrophobicContact CB-CE2 4.28Å; P233-Y277 HydrophobicContact CG-CD2 3.81Å; P233-Y277 HydrophobicContact CG-CE2 4.46Å; P233-Y277 HydrophobicContact CG-CG 3.87Å; H237-Y277 PolarHBondContact N-OH 3.14Å; E238-Y277 WeakPolarHBondContact OE1-CE2 3.33Å; E238-Y277 VanDerWaalsContact OE2-CE2 3.27Å; E238-Y277 WeakPolarHBondContact OE2-CE2 3.43Å; E238-Y277 VanDerWaalsContact OE2-CZ 3.28Å; E238-Y277 PolarHBondContact OE2-OH 3.07Å; H273-Y277 WeakPolarHBondContact O-CB 3.48Å; H273-Y277 PolarHBondContact O-N 2.94Å; C274-Y277 WeakPolarHBondContact O-CB 3.49Å; C274-Y277 PolarHBondContact O-N 3.18Å; V275-Y277 VanDerWaalsContact C-N 3.27Å; V275-Y277 PolarHBondContact O-N 3.45Å; Y277-E279 VanDerWaalsContact C-N 3.34Å; Y277-E279 PolarHBondContact O-N 3.31Å; Y277-K280 HydrophobicContact CD2-CD 4.39Å; Y277-K280 WeakPolarHBondContact O-CB 3.24Å; Y277-K280 PolarHBondContact O-N 3.02Å; Y277-K280 VanDerWaalsContact O-N 3.16Å; Y277-L281 HydrophobicContact CD1-CD1 4.09Å; Y277-L281 HydrophobicContact CD1-CG 4.45Å; Y277-L281 HydrophobicContact CE1-CD1 3.56Å; Y277-L281 HydrophobicContact CE1-CD2 4.4Å; Y277-L281 HydrophobicContact CE1-CG 4.06Å; Y277-L281 HydrophobicContact CE2-CD2 4.24Å; Y277-L281 HydrophobicContact CE2-CG 4.37Å; Y277-L281 WeakPolarHBondContact O-CG 3.41Å; Y277-L281 PolarHBondContact O-N 3.05Å
278F98.1Very high94.7Very high11 Ų1170.9 Ų70.95%0.04833%0.334CS..Hα-helixtrans-58.9-44.5174.3-177-119.2000112.2I231 L267 C274 V275 K280 L281 R282 F296 L298I231-F278 HydrophobicContact CG2-CB 3.76Å; I231-F278 HydrophobicContact CG2-CD2 3.97Å; I231-F278 HydrophobicContact CG2-CG 4.27Å; L267-F278 HydrophobicContact CD1-CB 4.17Å; L267-F278 HydrophobicContact CD2-CB 4.37Å; L267-F278 HydrophobicContact CD2-CD1 4Å; L267-F278 HydrophobicContact CD2-CG 4.2Å; C274-F278 PolarHBondContact O-N 3.27Å; V275-F278 WeakPolarHBondContact O-CB 3.49Å; V275-F278 PolarHBondContact O-N 2.94Å; F278-K280 VanDerWaalsContact C-N 3.31Å; F278-K280 PolarHBondContact O-N 3.44Å; F278-L281 WeakPolarHBondContact O-CB 3.33Å; F278-L281 PolarHBondContact O-N 3.3Å; F278-L281 VanDerWaalsContact O-N 3.1Å; F278-R282 HydrophobicContact CE1-CG 4.17Å; F278-R282 HydrophobicContact CE2-CG 4.24Å; F278-R282 HydrophobicContact CZ-CG 3.96Å; F278-R282 PolarHBondContact O-N 3.21Å; F278-F296 HydrophobicContact CD2-CD1 4.46Å; F278-F296 HydrophobicContact CE2-CB 4.02Å; F278-F296 AromaticContact CE2-CD1 3.71Å; F278-F296 HydrophobicContact CE2-CD1 3.71Å; F278-F296 HydrophobicContact CE2-CD2 4.45Å; F278-F296 HydrophobicContact CE2-CE1 4.25Å; F278-F296 AromaticContact CE2-CG 3.81Å; F278-F296 HydrophobicContact CE2-CG 3.81Å; F278-F296 HydrophobicContact CZ-CB 4.28Å; F278-F296 HydrophobicContact CZ-CG 4.35Å; F278-L298 HydrophobicContact CD1-CD1 4.37Å; F278-L298 HydrophobicContact CD2-CD2 4.32Å; F278-L298 HydrophobicContact CE1-CD1 3.83Å; F278-L298 HydrophobicContact CE2-CD1 4.03Å; F278-L298 HydrophobicContact CE2-CD2 3.92Å; F278-L298 HydrophobicContact CE2-CG 4.36Å; F278-L298 HydrophobicContact CZ-CD1 3.65Å; F278-L298 HydrophobicContact CZ-CD2 4.35Å; F278-L298 HydrophobicContact CZ-CG 4.3Å
279E98Very high95.1Very high100 Ų10076.6 Ų76.647%0.46736%0.364SS..Hα-helixtrans-62.2-37.8175.6-66.5-53.5140.400112.4V275 K276 Y277 L281 R282 K283V275-E279 PolarHBondContact O-N 2.88Å; V275-E279 VanDerWaalsContact O-N 3.14Å; K276-E279 PolarHBondContact O-N 3.18Å; Y277-E279 VanDerWaalsContact C-N 3.34Å; Y277-E279 PolarHBondContact O-N 3.31Å; E279-L281 VanDerWaalsContact C-N 3.35Å; E279-L281 PolarHBondContact O-N 3.05Å; E279-R282 PolarHBondContact O-N 3.22Å; E279-K283 WeakPolarHBondContact O-CB 3.41Å; E279-K283 PolarHBondContact O-N 3.46Å
280K98.1Very high95.5Very high114 Ų11469.6 Ų69.650%0.49633%0.332SS..Hα-helixtrans-60.2-43172-178.9-164.4177.1-165.60111.6E238 K276 Y277 F278 M284E238-K280 IonicContact OE1-NZ 2.92Å; E238-K280 PolarHBondContact OE1-NZ 3.48Å; K276-K280 PolarHBondContact O-N 2.91Å; K276-K280 VanDerWaalsContact O-N 3.1Å; Y277-K280 HydrophobicContact CD2-CD 4.39Å; Y277-K280 WeakPolarHBondContact O-CB 3.24Å; Y277-K280 PolarHBondContact O-N 3.02Å; Y277-K280 VanDerWaalsContact O-N 3.16Å; F278-K280 VanDerWaalsContact C-N 3.31Å; F278-K280 PolarHBondContact O-N 3.44Å; K280-M284 WeakPolarHBondContact O-CB 3.11Å; K280-M284 PolarHBondContact O-N 3.21Å
281L98.5Very high95.9Very high0 Ų068.5 Ų68.50%033%0.331CS..Hα-helixtrans-64.1-44.5177.8-66.9176.5000111.6I231 H237 E238 I241 Y277 F278 E279 M284 V285 F296I231-L281 HydrophobicContact CG2-CD1 4.36Å; H237-L281 HydrophobicContact CB-CD1 3.87Å; H237-L281 HydrophobicContact CB-CD2 3.98Å; E238-L281 HydrophobicContact CG-CD2 3.87Å; I241-L281 HydrophobicContact CD1-CB 4.47Å; I241-L281 HydrophobicContact CD1-CD2 3.88Å; Y277-L281 HydrophobicContact CD1-CD1 4.09Å; Y277-L281 HydrophobicContact CD1-CG 4.45Å; Y277-L281 HydrophobicContact CE1-CD1 3.56Å; Y277-L281 HydrophobicContact CE1-CD2 4.4Å; Y277-L281 HydrophobicContact CE1-CG 4.06Å; Y277-L281 HydrophobicContact CE2-CD2 4.24Å; Y277-L281 HydrophobicContact CE2-CG 4.37Å; Y277-L281 WeakPolarHBondContact O-CG 3.41Å; Y277-L281 PolarHBondContact O-N 3.05Å; F278-L281 WeakPolarHBondContact O-CB 3.33Å; F278-L281 PolarHBondContact O-N 3.3Å; F278-L281 VanDerWaalsContact O-N 3.1Å; E279-L281 VanDerWaalsContact C-N 3.35Å; E279-L281 PolarHBondContact O-N 3.05Å; L281-M284 PolarHBondContact O-N 2.83Å; L281-V285 WeakPolarHBondContact O-CG2 3.36Å; L281-V285 PolarHBondContact O-N 3.5Å; L281-F296 HydrophobicContact CB-CE1 4.03Å; L281-F296 HydrophobicContact CB-CZ 3.99Å; L281-F296 HydrophobicContact CD1-CE1 4.27Å
282R98.4Very high96.4Very high134 Ų13474.7 Ų74.751%0.50636%0.361SS..Hα-helixtrans-59.8-49.2176.5-72.1-175.6125.5-176.1-1.3111.6F278 E279 M284 V285 D286 F296F278-R282 HydrophobicContact CE1-CG 4.17Å; F278-R282 HydrophobicContact CE2-CG 4.24Å; F278-R282 HydrophobicContact CZ-CG 3.96Å; F278-R282 PolarHBondContact O-N 3.21Å; E279-R282 PolarHBondContact O-N 3.22Å; R282-M284 VanDerWaalsContact C-N 3.26Å; R282-M284 PolarHBondContact O-N 3.01Å; R282-V285 PolarHBondContact O-N 2.82Å; R282-D286 PolarHBondContact O-N 2.91Å; R282-F296 HydrophobicContact CG-CE2 4.31Å
283K98.3Very high96.7Very high117 Ų11770.9 Ų70.951%0.50933%0.334SS..Hα-helixtrans-58.4-39.2175.8175.7162.5178.950.50112.2E279 D286 D287E279-K283 WeakPolarHBondContact O-CB 3.41Å; E279-K283 PolarHBondContact O-N 3.46Å; K283-D286 PolarHBondContact O-N 3.47Å; K283-D287 WeakPolarHBondContact CE-OD2 3.43Å; K283-D287 WeakPolarHBondContact CG-OD2 3.31Å; K283-D287 IonicContact NZ-OD1 2.83Å; K283-D287 PolarHBondContact NZ-OD1 2.88Å; K283-D287 IonicContact NZ-OD2 2.8Å; K283-D287 PolarHBondContact NZ-OD2 3.01Å; K283-D287 WeakPolarHBondContact O-CB 3.42Å; K283-D287 PolarHBondContact O-N 3.36Å
284M98.2Very high97.1Very high27 Ų2766.5 Ų66.513%0.13331%0.314CS..Hα-helixtrans-67.3-37.3178.2-178.4178.6152.400112.7E238 I241 K242 K280 L281 R282 D286 M288E238-M284 HydrophobicContact CB-CE 4.18Å; E238-M284 HydrophobicContact CB-SD 4.01Å; E238-M284 HydrophobicContact CG-SD 3.73Å; I241-M284 HydrophobicContact CB-CE 3.77Å; I241-M284 HydrophobicContact CG2-CE 3.68Å; K242-M284 HydrophobicContact CD-CE 4.05Å; K242-M284 HydrophobicContact CG-CE 3.39Å; K280-M284 WeakPolarHBondContact O-CB 3.11Å; K280-M284 PolarHBondContact O-N 3.21Å; L281-M284 PolarHBondContact O-N 2.83Å; R282-M284 VanDerWaalsContact C-N 3.26Å; R282-M284 PolarHBondContact O-N 3.01Å; M284-D286 VanDerWaalsContact C-N 3.33Å; M284-M288 HydrophobicContact CE-SD 3.7Å; M284-M288 HydrophobicContact CG-SD 3.97Å; M284-M288 VanDerWaalsContact O-CB 3.31Å; M284-M288 WeakPolarHBondContact O-CB 3.38Å; M284-M288 WeakPolarHBondContact O-CG 3.43Å; M284-M288 PolarHBondContact O-N 3.41Å
285V98.5Very high97.3Very high6 Ų669.8 Ų69.84%0.03633%0.328CS..Hα-helixtrans-64.3-41.4173.71700000110.9I241 L281 R282 M288 N289 L290 E291 V294 F296I241-V285 HydrophobicContact CD1-CG2 3.94Å; I241-V285 HydrophobicContact CG1-CG2 4.4Å; I241-V285 HydrophobicContact CG2-CG2 4.2Å; L281-V285 WeakPolarHBondContact O-CG2 3.36Å; L281-V285 PolarHBondContact O-N 3.5Å; R282-V285 PolarHBondContact O-N 2.82Å; V285-M288 PolarHBondContact O-N 2.69Å; V285-N289 PolarHBondContact O-N 3.35Å; V285-L290 HydrophobicContact CG1-CB 4.02Å; V285-L290 PolarHBondContact O-N 3.3Å; V285-E291 HydrophobicContact CG1-CB 4.49Å; V285-E291 HydrophobicContact CG1-CG 4.3Å; V285-V294 HydrophobicContact CG1-CB 3.92Å; V285-V294 HydrophobicContact CG1-CG1 4.5Å; V285-V294 HydrophobicContact CG1-CG2 4.43Å; V285-V294 HydrophobicContact CG2-CB 3.97Å; V285-V294 HydrophobicContact CG2-CG1 3.74Å; V285-V294 HydrophobicContact CG2-CG2 4.32Å; V285-F296 HydrophobicContact CG2-CE2 3.92Å; V285-F296 HydrophobicContact CG2-CZ 3.83Å
286D97.9Very high97.4Very high90 Ų9069.4 Ų69.448%0.48132%0.322SS..Hα-helixtrans-64.2-53.6176.5-175.871.4000111.9R282 K283 M284 M288 N289 E291R282-D286 PolarHBondContact O-N 2.91Å; K283-D286 PolarHBondContact O-N 3.47Å; M284-D286 VanDerWaalsContact C-N 3.33Å; D286-M288 PolarHBondContact O-N 3.26Å; D286-N289 PolarHBondContact O-N 3.44Å; D286-E291 VanDerWaalsContact CA-OE1 3.27Å; D286-E291 WeakPolarHBondContact CA-OE1 3.31Å
287D97.9Very high97.3Very high96 Ų9662.8 Ų62.851%0.51329%0.294SS..Hα-helixtrans-58.9-23.5178-67.4-22.8000112.5K283K283-D287 WeakPolarHBondContact CE-OD2 3.43Å; K283-D287 WeakPolarHBondContact CG-OD2 3.31Å; K283-D287 IonicContact NZ-OD1 2.83Å; K283-D287 PolarHBondContact NZ-OD1 2.88Å; K283-D287 IonicContact NZ-OD2 2.8Å; K283-D287 PolarHBondContact NZ-OD2 3.01Å; K283-D287 WeakPolarHBondContact O-CB 3.42Å; K283-D287 PolarHBondContact O-N 3.36Å
288M97.7Very high97.3Very high70 Ų7065.1 Ų65.135%0.34531%0.306SS..THydrogen-bonded Turntrans-96.4-0.7177.8-66.4-178.57600114.2I241 A245 M284 V285 D286 L290I241-M288 HydrophobicContact CG2-SD 4.13Å; A245-M288 HydrophobicContact CB-CE 3.23Å; M284-M288 HydrophobicContact CE-SD 3.7Å; M284-M288 HydrophobicContact CG-SD 3.97Å; M284-M288 VanDerWaalsContact O-CB 3.31Å; M284-M288 WeakPolarHBondContact O-CB 3.38Å; M284-M288 WeakPolarHBondContact O-CG 3.43Å; M284-M288 PolarHBondContact O-N 3.41Å; V285-M288 PolarHBondContact O-N 2.69Å; D286-M288 PolarHBondContact O-N 3.26Å; M288-L290 HydrophobicContact CB-CD1 3.9Å; M288-L290 HydrophobicContact CB-CG 4.06Å; M288-L290 HydrophobicContact CE-CD1 4.32Å
289N97.1Very high97Very high132 Ų13268.6 Ų68.671%0.70633%0.326SS*.THydrogen-bonded Turntrans54.349.7-175.3-53.4-90.1000112.8V285 D286 E291V285-N289 PolarHBondContact O-N 3.35Å; D286-N289 PolarHBondContact O-N 3.44Å; N289-E291 VanDerWaalsContact CA-OE2 3.28Å; N289-E291 WeakPolarHBondContact CA-OE2 3.43Å
290L97.2Very high96.8Very high11 Ų1164.9 Ų64.96%0.05831%0.309CS..  trans-118.411.5-177.1-69.6176.3000113.9I241 A245 W256 V285 M288 E292 K293 V294I241-L290 HydrophobicContact CG2-CD1 4.2Å; A245-L290 HydrophobicContact CB-CD1 3.84Å; W256-L290 HydrophobicContact CH2-CD2 4.05Å; W256-L290 HydrophobicContact CZ2-CD2 3.93Å; V285-L290 HydrophobicContact CG1-CB 4.02Å; V285-L290 PolarHBondContact O-N 3.3Å; M288-L290 HydrophobicContact CB-CD1 3.9Å; M288-L290 HydrophobicContact CB-CG 4.06Å; M288-L290 HydrophobicContact CE-CD1 4.32Å; L290-E292 VanDerWaalsContact C-N 3.25Å; L290-E292 PolarHBondContact O-N 3.05Å; L290-K293 HydrophobicContact CD2-CB 4.42Å; L290-K293 CarbonylContact O-C 3.57Å; L290-K293 WeakPolarHBondContact O-CA 3.46Å; L290-K293 PolarHBondContact O-N 2.79Å; L290-V294 HydrophobicContact CB-CG2 3.83Å; L290-V294 HydrophobicContact CD1-CG2 4.37Å; L290-V294 PolarHBondContact O-N 2.65Å
291E95.4Very high96.4Very high76 Ų7662 Ų6236%0.35530%0.304SS..THydrogen-bonded Turntrans-60.6-32.5-174.8-47.385.7159.500112.6V285 D286 N289 K293 K295V285-E291 HydrophobicContact CG1-CB 4.49Å; V285-E291 HydrophobicContact CG1-CG 4.3Å; D286-E291 VanDerWaalsContact CA-OE1 3.27Å; D286-E291 WeakPolarHBondContact CA-OE1 3.31Å; N289-E291 VanDerWaalsContact CA-OE2 3.28Å; N289-E291 WeakPolarHBondContact CA-OE2 3.43Å; E291-K293 VanDerWaalsContact C-N 3.34Å; E291-K295 PolarHBondContact O-NZ 2.8Å
292E94Very high95.9Very high154 Ų15463.4 Ų63.472%0.7231%0.31SS*.THydrogen-bonded Turntrans-75.1-25.9173.8-65.3-172.5167.100112.5L290 K295L290-E292 VanDerWaalsContact C-N 3.25Å; L290-E292 PolarHBondContact O-N 3.05Å; E292-K295 WeakPolarHBondContact O-CE 3.37Å
293K96.3Very high95.5Very high22 Ų2260.8 Ų60.810%0.09630%0.302CS..THydrogen-bonded Turntrans-102.7-25.8-171.8-59.3-69.9175.1-178.70114.2F244 W256 Q257 L259 Q260 L261 L290 E291F244-K293 HydrophobicContact CE1-CB 3.77Å; F244-K293 HydrophobicContact CZ-CB 4.33Å; W256-K293 HydrophobicContact CZ2-CD 4.44Å; W256-K293 HydrophobicContact CZ2-CG 4.04Å; W256-K293 PolarHBondContact O-NZ 2.75Å; Q257-K293 VanDerWaalsContact CA-NZ 3.34Å; Q257-K293 PolarHBondContact O-NZ 3.34Å; Q257-K293 VanDerWaalsContact OE1-NZ 3.16Å; L259-K293 WeakPolarHBondContact O-CD 3.05Å; Q260-K293 CarbonylContact C-O 3.51Å; Q260-K293 VanDerWaalsContact CA-O 3.28Å; Q260-K293 WeakPolarHBondContact CA-O 2.96Å; Q260-K293 WeakPolarHBondContact CB-O 3.42Å; L261-K293 PolarHBondContact N-O 3.46Å; L290-K293 HydrophobicContact CD2-CB 4.42Å; L290-K293 CarbonylContact O-C 3.57Å; L290-K293 WeakPolarHBondContact O-CA 3.46Å; L290-K293 PolarHBondContact O-N 2.79Å; E291-K293 VanDerWaalsContact C-N 3.34Å
294V97.5Very high95.2Very high5 Ų557.7 Ų57.73%0.0329%0.29CS..EExtended strand (participates in β ladder)trans-111.2118.9-177.9-177.70000109F244 L261 I263 V285 L290 F296F244-V294 HydrophobicContact CD1-CG2 4.3Å; L261-V294 HydrophobicContact CB-CG2 4.14Å; L261-V294 HydrophobicContact CD2-CG1 4.27Å; L261-V294 HydrophobicContact CD2-CG2 4.21Å; L261-V294 CarbonylContact O-C 3.49Å; L261-V294 VanDerWaalsContact O-CA 3.29Å; L261-V294 WeakPolarHBondContact O-CA 3.25Å; I263-V294 HydrophobicContact CD1-CG1 3.8Å; I263-V294 HydrophobicContact CG1-CG1 4.32Å; V285-V294 HydrophobicContact CG1-CB 3.92Å; V285-V294 HydrophobicContact CG1-CG1 4.5Å; V285-V294 HydrophobicContact CG1-CG2 4.43Å; V285-V294 HydrophobicContact CG2-CB 3.97Å; V285-V294 HydrophobicContact CG2-CG1 3.74Å; V285-V294 HydrophobicContact CG2-CG2 4.32Å; L290-V294 HydrophobicContact CB-CG2 3.83Å; L290-V294 HydrophobicContact CD1-CG2 4.37Å; L290-V294 PolarHBondContact O-N 2.65Å; V294-F296 HydrophobicContact CG1-CE2 4.25Å; V294-F296 HydrophobicContact CG1-CZ 4.28Å
295K96.8Very high95Very high70 Ų7057 Ų5730%0.30429%0.286SS..EExtended strand (participates in β ladder)trans-117.9137.7178.9-53.9-60.3-179.6-169.60110.7L261 I262 I263 E291 E292 F297L261-K295 PolarHBondContact O-N 2.93Å; I262-K295 HydrophobicContact CD1-CB 3.8Å; I262-K295 HydrophobicContact CD1-CG 4.13Å; I263-K295 PolarHBondContact N-O 2.83Å; E291-K295 PolarHBondContact O-NZ 2.8Å; E292-K295 WeakPolarHBondContact O-CE 3.37Å; K295-F297 HydrophobicContact CB-CD2 4.49Å; K295-F297 HydrophobicContact CB-CE2 3.88Å
296F97Very high94.7Very high45 Ų4556.8 Ų56.820%0.19729%0.285CS..EExtended strand (participates in β ladder)trans-104.4130177.7-63.1-87.4000110.2I263 F278 L281 R282 V285 V294I263-F296 HydrophobicContact CB-CD1 3.76Å; I263-F296 HydrophobicContact CB-CE1 4.05Å; I263-F296 HydrophobicContact CD1-CD1 4.14Å; I263-F296 HydrophobicContact CD1-CE1 3.52Å; I263-F296 HydrophobicContact CD1-CZ 4.02Å; I263-F296 HydrophobicContact CG1-CD1 4.49Å; I263-F296 HydrophobicContact CG1-CE1 4.33Å; I263-F296 HydrophobicContact CG2-CD1 3.84Å; I263-F296 HydrophobicContact CG2-CE1 4.06Å; I263-F296 CarbonylContact O-C 3.32Å; I263-F296 WeakPolarHBondContact O-CA 3.4Å; F278-F296 HydrophobicContact CD2-CD1 4.46Å; F278-F296 HydrophobicContact CE2-CB 4.02Å; F278-F296 AromaticContact CE2-CD1 3.71Å; F278-F296 HydrophobicContact CE2-CD1 3.71Å; F278-F296 HydrophobicContact CE2-CD2 4.45Å; F278-F296 HydrophobicContact CE2-CE1 4.25Å; F278-F296 AromaticContact CE2-CG 3.81Å; F278-F296 HydrophobicContact CE2-CG 3.81Å; F278-F296 HydrophobicContact CZ-CB 4.28Å; F278-F296 HydrophobicContact CZ-CG 4.35Å; L281-F296 HydrophobicContact CB-CE1 4.03Å; L281-F296 HydrophobicContact CB-CZ 3.99Å; L281-F296 HydrophobicContact CD1-CE1 4.27Å; R282-F296 HydrophobicContact CG-CE2 4.31Å; V285-F296 HydrophobicContact CG2-CE2 3.92Å; V285-F296 HydrophobicContact CG2-CZ 3.83Å; V294-F296 HydrophobicContact CG1-CE2 4.25Å; V294-F296 HydrophobicContact CG1-CZ 4.28Å
297F96Very high94.5Very high31 Ų3154.6 Ų54.614%0.13627%0.27CS..EExtended strand (participates in β ladder)trans-121.5116.1171.2-67.9-100.5000108.4N219 I220 I262 I263 V264 G265 K295 V300 F308N219-F297 HydrophobicContact CB-CZ 4.29Å; I220-F297 HydrophobicContact CG1-CZ 4.19Å; I262-F297 HydrophobicContact CD1-CE2 4.19Å; I262-F297 HydrophobicContact CG2-CD2 3.54Å; I262-F297 HydrophobicContact CG2-CE2 3.77Å; I263-F297 PolarHBondContact O-N 3.26Å; V264-F297 WeakPolarHBondContact CA-O 3.32Å; V264-F297 HydrophobicContact CG2-CB 4.28Å; G265-F297 PolarHBondContact N-O 3.3Å; K295-F297 HydrophobicContact CB-CD2 4.49Å; K295-F297 HydrophobicContact CB-CE2 3.88Å; F297-V300 HydrophobicContact CB-CG1 3.76Å; F297-F308 HydrophobicContact CB-CE2 4.34Å; F297-F308 HydrophobicContact CB-CZ 4.15Å; F297-F308 HydrophobicContact CD1-CE2 4.39Å; F297-F308 AromaticContact CD1-CZ 3.66Å; F297-F308 HydrophobicContact CD1-CZ 3.66Å; F297-F308 HydrophobicContact CD2-CE1 4.18Å; F297-F308 AromaticContact CD2-CZ 3.87Å; F297-F308 HydrophobicContact CD2-CZ 3.87Å; F297-F308 AromaticContact CE1-CZ 3.94Å; F297-F308 HydrophobicContact CE1-CZ 3.94Å; F297-F308 HydrophobicContact CE2-CE1 4.19Å; F297-F308 HydrophobicContact CE2-CZ 4.15Å; F297-F308 HydrophobicContact CG-CE1 4.38Å; F297-F308 HydrophobicContact CG-CE2 4.28Å; F297-F308 AromaticContact CG-CZ 3.62Å; F297-F308 HydrophobicContact CG-CZ 3.62Å; F297-F308 HydrophobicContact CZ-CE1 4.39Å; F297-F308 HydrophobicContact CZ-CZ 4.17Å
298L95.9Very high94.3Very high57 Ų5750 Ų5030%0.29825%0.245SC..EExtended strand (participates in β ladder)trans-105.6144.6-173.3-58.6-177000111.1I231 G265 L267 F278 V300I231-L298 HydrophobicContact CD1-CD2 4.13Å; I231-L298 HydrophobicContact CG1-CD2 3.68Å; G265-L298 VanDerWaalsContact O-CA 3.27Å; G265-L298 WeakPolarHBondContact O-CA 3.45Å; L267-L298 HydrophobicContact CB-CD1 4.12Å; L267-L298 HydrophobicContact CB-CD2 4.28Å; L267-L298 HydrophobicContact CD2-CD1 3.72Å; F278-L298 HydrophobicContact CD1-CD1 4.37Å; F278-L298 HydrophobicContact CD2-CD2 4.32Å; F278-L298 HydrophobicContact CE1-CD1 3.83Å; F278-L298 HydrophobicContact CE2-CD1 4.03Å; F278-L298 HydrophobicContact CE2-CD2 3.92Å; F278-L298 HydrophobicContact CE2-CG 4.36Å; F278-L298 HydrophobicContact CZ-CD1 3.65Å; F278-L298 HydrophobicContact CZ-CD2 4.35Å; F278-L298 HydrophobicContact CZ-CG 4.3Å; L298-V300 PolarHBondContact O-N 2.83Å
299N93.2Very high94.2Very high84 Ų8446.7 Ų46.745%0.44923%0.229SC..SBendtrans52.340.7171.4-58.9-34.4000113.4G265 N266 L267G265-N299 PolarHBondContact O-N 2.97Å; N266-N299 VanDerWaalsContact CA-OD1 3.23Å; N266-N299 WeakPolarHBondContact CA-OD1 3.23Å; N266-N299 WeakPolarHBondContact OD1-CA 3.42Å; L267-N299 PolarHBondContact N-OD1 3.21Å; L267-N299 PolarHBondContact O-ND2 3Å; L267-N299 PolarHBondContact O-OD1 3.43Å
300V92.3Very high94Very high21 Ų2142.6 Ų42.613%0.12721%0.206CC..  trans-71.8147.7-179.3-53.40000110.8V264 F297 L298 E304 K305 F308V264-V300 HydrophobicContact CG1-CB 4.4Å; V264-V300 HydrophobicContact CG1-CG1 4.11Å; V264-V300 HydrophobicContact CG1-CG2 3.37Å; F297-V300 HydrophobicContact CB-CG1 3.76Å; L298-V300 PolarHBondContact O-N 2.83Å; V300-E304 HydrophobicContact CB-CB 3.78Å; V300-E304 HydrophobicContact CG2-CB 4.31Å; V300-K305 HydrophobicContact CG2-CB 4.21Å; V300-F308 HydrophobicContact CG1-CE2 4.28Å
301S90Very high93.8Very high54 Ų5445.8 Ų45.838%0.37822%0.223SC..  trans-66.2161.5172.364.30000112.1K303 E304 K305S301-K303 PolarHBondContact O-N 2.7Å; S301-E304 WeakPolarHBondContact CB-OE2 3.48Å; S301-E304 PolarHBondContact N-OE2 3.13Å; S301-E304 WeakPolarHBondContact O-CB 3.23Å; S301-E304 PolarHBondContact O-N 2.85Å; S301-E304 VanDerWaalsContact O-N 3.11Å; S301-E304 VanDerWaalsContact OG-CG 3.27Å; S301-E304 WeakPolarHBondContact OG-CG 3.4Å; S301-E304 PolarHBondContact OG-N 2.9Å; S301-E304 PolarHBondContact OG-OE2 3.25Å; S301-K305 PolarHBondContact O-N 3.49Å
302E89.4Confident93.9Very high29 Ų2942.2 Ų42.214%0.13621%0.207CC..Hα-helixtrans-56.8-34.8175.5-72.4-64.6119.100112.5Y43 A207 K305 T306Y43-E302 VanDerWaalsContact OH-CG 3.28Å; Y43-E302 WeakPolarHBondContact OH-CG 3.46Å; A207-E302 HydrophobicContact CB-CB 4.16Å; E302-K305 WeakPolarHBondContact O-CB 3.27Å; E302-K305 PolarHBondContact O-N 3.38Å; E302-K305 WeakPolarHBondContact OE1-CE 3.17Å; E302-K305 IonicContact OE1-NZ 2.79Å; E302-K305 PolarHBondContact OE1-NZ 3.06Å; E302-K305 WeakPolarHBondContact OE2-CE 3.48Å; E302-K305 IonicContact OE2-NZ 2.7Å; E302-K305 PolarHBondContact OE2-NZ 3.2Å; E302-T306 PolarHBondContact O-N 2.81Å; E302-T306 PolarHBondContact O-OG1 3.23Å
303K88.9Confident94Very high79 Ų7936.5 Ų36.534%0.34318%0.181SC..Hα-helixtrans-67.4-41.1176.7-68.3-178.1168.1-164.20112.8N212 P214 S301 T306 Y307N212-K303 WeakPolarHBondContact O-CD 3.49Å; P214-K303 HydrophobicContact CG-CB 4.42Å; S301-K303 PolarHBondContact O-N 2.7Å; K303-T306 PolarHBondContact O-N 2.95Å; K303-Y307 PolarHBondContact O-N 2.87Å
304E92Very high94.1Very high52 Ų5235.5 Ų35.524%0.24318%0.176CC..Hα-helixtrans-65.7-42.8173.9-71.7170.9124.700110.8P214 L216 V300 S301 T306 Y307 F308P214-E304 HydrophobicContact CB-CG 4.42Å; P214-E304 HydrophobicContact CG-CB 4.44Å; P214-E304 HydrophobicContact CG-CG 3.43Å; P214-E304 VanDerWaalsContact CG-CG 3.43Å; L216-E304 HydrophobicContact CD1-CB 3.64Å; L216-E304 HydrophobicContact CD1-CG 3.65Å; L216-E304 HydrophobicContact CD2-CG 4.22Å; L216-E304 HydrophobicContact CG-CG 4.11Å; V300-E304 HydrophobicContact CB-CB 3.78Å; V300-E304 HydrophobicContact CG2-CB 4.31Å; S301-E304 WeakPolarHBondContact CB-OE2 3.48Å; S301-E304 PolarHBondContact N-OE2 3.13Å; S301-E304 WeakPolarHBondContact O-CB 3.23Å; S301-E304 PolarHBondContact O-N 2.85Å; S301-E304 VanDerWaalsContact O-N 3.11Å; S301-E304 VanDerWaalsContact OG-CG 3.27Å; S301-E304 WeakPolarHBondContact OG-CG 3.4Å; S301-E304 PolarHBondContact OG-N 2.9Å; S301-E304 PolarHBondContact OG-OE2 3.25Å; E304-T306 VanDerWaalsContact C-N 3.33Å; E304-T306 PolarHBondContact O-N 3.26Å; E304-Y307 WeakPolarHBondContact O-CB 3.32Å; E304-Y307 PolarHBondContact O-N 3.15Å; E304-Y307 VanDerWaalsContact O-N 3.13Å; E304-F308 WeakPolarHBondContact O-CD2 3.48Å; E304-F308 PolarHBondContact O-N 3.45Å
305K93.8Very high94.1Very high14 Ų1435.2 Ų35.26%0.06118%0.175CC..Hα-helixtrans-56.5-46.2172.8-170.1-177.173.2179.90111.4L228 V300 S301 E302 Y307 F308 L309 E330L228-K305 HydrophobicContact CD1-CD 4.21Å; L228-K305 HydrophobicContact CD1-CG 4Å; L228-K305 HydrophobicContact CD2-CD 4.05Å; L228-K305 HydrophobicContact CD2-CG 3.85Å; V300-K305 HydrophobicContact CG2-CB 4.21Å; S301-K305 PolarHBondContact O-N 3.49Å; E302-K305 WeakPolarHBondContact O-CB 3.27Å; E302-K305 PolarHBondContact O-N 3.38Å; E302-K305 WeakPolarHBondContact OE1-CE 3.17Å; E302-K305 IonicContact OE1-NZ 2.79Å; E302-K305 PolarHBondContact OE1-NZ 3.06Å; E302-K305 WeakPolarHBondContact OE2-CE 3.48Å; E302-K305 IonicContact OE2-NZ 2.7Å; E302-K305 PolarHBondContact OE2-NZ 3.2Å; K305-Y307 VanDerWaalsContact C-N 3.33Å; K305-Y307 PolarHBondContact O-N 3.05Å; K305-F308 PolarHBondContact O-N 3.46Å; K305-L309 HydrophobicContact CG-CD1 4.07Å; K305-L309 WeakPolarHBondContact O-CG 3.4Å; K305-L309 PolarHBondContact O-N 3.15Å; K305-E330 WeakPolarHBondContact CE-OE2 3.34Å; K305-E330 IonicContact NZ-OE1 2.72Å; K305-E330 PolarHBondContact NZ-OE1 3.47Å; K305-E330 VanDerWaalsContact NZ-OE1 3.14Å; K305-E330 IonicContact NZ-OE2 3.61Å; K305-E330 PolarHBondContact NZ-OE2 2.88Å
306T92.8Very high94.2Very high0 Ų031.9 Ų31.90%016%0.16CC..Hα-helixtrans-58.5-43.3175-60.50000111.8A207 H208 Y213 E302 K303 E304 F308 L309 Q310 F334A207-T306 WeakPolarHBondContact CB-OG1 3.25Å; H208-T306 HydrophobicContact CB-CG2 4.36Å; Y213-T306 HydrophobicContact CD1-CG2 4.17Å; Y213-T306 HydrophobicContact CE1-CG2 3.43Å; Y213-T306 VanDerWaalsContact CE1-CG2 3.43Å; E302-T306 PolarHBondContact O-N 2.81Å; E302-T306 PolarHBondContact O-OG1 3.23Å; K303-T306 PolarHBondContact O-N 2.95Å; E304-T306 VanDerWaalsContact C-N 3.33Å; E304-T306 PolarHBondContact O-N 3.26Å; T306-F308 PolarHBondContact O-N 2.87Å; T306-L309 PolarHBondContact O-N 3.31Å; T306-Q310 HydrophobicContact CG2-CG 4.1Å; T306-Q310 WeakPolarHBondContact O-CB 3.45Å; T306-Q310 VanDerWaalsContact O-CG 3.28Å; T306-Q310 WeakPolarHBondContact O-CG 3.48Å; T306-Q310 PolarHBondContact O-N 3.32Å; T306-F334 HydrophobicContact CG2-CE1 3.77Å; T306-F334 HydrophobicContact CG2-CE2 4.45Å; T306-F334 HydrophobicContact CG2-CZ 3.52Å
307Y92.5Very high94.2Very high44 Ų4429.8 Ų29.817%0.17315%0.151CC..Hα-helixtrans-57.4-47.1175.7172-88.7000111.8L216 I220 K303 E304 K305 L309 Q310 N311L216-Y307 HydrophobicContact CB-CD1 3.89Å; L216-Y307 HydrophobicContact CB-CE1 3.85Å; L216-Y307 HydrophobicContact CB-CG 4.44Å; L216-Y307 HydrophobicContact CD1-CD1 3.66Å; L216-Y307 HydrophobicContact CD1-CE1 4.4Å; L216-Y307 HydrophobicContact CD1-CG 4.1Å; L216-Y307 HydrophobicContact CG-CD1 4.45Å; I220-Y307 HydrophobicContact CD1-CE1 3.79Å; K303-Y307 PolarHBondContact O-N 2.87Å; E304-Y307 WeakPolarHBondContact O-CB 3.32Å; E304-Y307 PolarHBondContact O-N 3.15Å; E304-Y307 VanDerWaalsContact O-N 3.13Å; K305-Y307 VanDerWaalsContact C-N 3.33Å; K305-Y307 PolarHBondContact O-N 3.05Å; Y307-L309 PolarHBondContact O-N 3.2Å; Y307-Q310 PolarHBondContact O-N 3.1Å; Y307-N311 WeakPolarHBondContact CD2-ND2 3.36Å; Y307-N311 WeakPolarHBondContact CE2-ND2 3.41Å; Y307-N311 WeakPolarHBondContact O-CB 3.24Å; Y307-N311 PolarHBondContact O-N 3.4Å; Y307-N311 VanDerWaalsContact O-N 3.08Å; Y307-N311 PolarHBondContact O-ND2 2.98Å
308F95Very high94.3Very high0 Ų028.4 Ų28.40%015%0.145CC..Hα-helixtrans-62.6-45.1178-70.4-66.5000112.2L216 I220 F224 L226 I262 V264 F297 V300 E304 K305 T306 Q310 N311 C312L216-F308 HydrophobicContact CD1-CD2 4.38Å; L216-F308 HydrophobicContact CD1-CE2 3.72Å; L216-F308 HydrophobicContact CD1-CZ 3.9Å; I220-F308 HydrophobicContact CD1-CD1 4.21Å; I220-F308 HydrophobicContact CD1-CE1 3.56Å; I220-F308 HydrophobicContact CD1-CZ 4.44Å; F224-F308 HydrophobicContact CE2-CD1 4.08Å; F224-F308 HydrophobicContact CZ-CD1 4.13Å; L226-F308 HydrophobicContact CD1-CB 4.02Å; L226-F308 HydrophobicContact CD1-CG 4.5Å; L226-F308 HydrophobicContact CD2-CB 3.98Å; I262-F308 HydrophobicContact CG2-CD1 3.93Å; I262-F308 HydrophobicContact CG2-CE1 3.68Å; I262-F308 HydrophobicContact CG2-CZ 4.41Å; V264-F308 HydrophobicContact CG1-CD2 4.38Å; V264-F308 HydrophobicContact CG2-CB 4.4Å; V264-F308 HydrophobicContact CG2-CD1 4.2Å; V264-F308 HydrophobicContact CG2-CD2 3.68Å; V264-F308 HydrophobicContact CG2-CE1 4.39Å; V264-F308 HydrophobicContact CG2-CE2 3.93Å; V264-F308 HydrophobicContact CG2-CG 3.84Å; V264-F308 HydrophobicContact CG2-CZ 4.28Å; F297-F308 HydrophobicContact CB-CE2 4.34Å; F297-F308 HydrophobicContact CB-CZ 4.15Å; F297-F308 HydrophobicContact CD1-CE2 4.39Å; F297-F308 AromaticContact CD1-CZ 3.66Å; F297-F308 HydrophobicContact CD1-CZ 3.66Å; F297-F308 HydrophobicContact CD2-CE1 4.18Å; F297-F308 AromaticContact CD2-CZ 3.87Å; F297-F308 HydrophobicContact CD2-CZ 3.87Å; F297-F308 AromaticContact CE1-CZ 3.94Å; F297-F308 HydrophobicContact CE1-CZ 3.94Å; F297-F308 HydrophobicContact CE2-CE1 4.19Å; F297-F308 HydrophobicContact CE2-CZ 4.15Å; F297-F308 HydrophobicContact CG-CE1 4.38Å; F297-F308 HydrophobicContact CG-CE2 4.28Å; F297-F308 AromaticContact CG-CZ 3.62Å; F297-F308 HydrophobicContact CG-CZ 3.62Å; F297-F308 HydrophobicContact CZ-CE1 4.39Å; F297-F308 HydrophobicContact CZ-CZ 4.17Å; V300-F308 HydrophobicContact CG1-CE2 4.28Å; E304-F308 WeakPolarHBondContact O-CD2 3.48Å; E304-F308 PolarHBondContact O-N 3.45Å; K305-F308 PolarHBondContact O-N 3.46Å; T306-F308 PolarHBondContact O-N 2.87Å; F308-Q310 VanDerWaalsContact C-N 3.32Å; F308-Q310 PolarHBondContact O-N 3.33Å; F308-N311 PolarHBondContact O-N 3.14Å; F308-C312 WeakPolarHBondContact O-CB 3.43Å; F308-C312 PolarHBondContact O-N 3.38Å
309L95.4Very high94.2Very high0 Ų025.7 Ų25.70%013%0.13CC..Hα-helixtrans-63.8-36.1177.8-74.4164.4000112.4L226 L228 K305 T306 Y307 E330 F334 K336L226-L309 HydrophobicContact CD2-CD2 3.95Å; L226-L309 HydrophobicContact CD2-CG 4.21Å; L228-L309 HydrophobicContact CD2-CD1 4.12Å; L228-L309 HydrophobicContact CD2-CD2 3.88Å; L228-L309 HydrophobicContact CD2-CG 4.04Å; K305-L309 HydrophobicContact CG-CD1 4.07Å; K305-L309 WeakPolarHBondContact O-CG 3.4Å; K305-L309 PolarHBondContact O-N 3.15Å; T306-L309 PolarHBondContact O-N 3.31Å; Y307-L309 PolarHBondContact O-N 3.2Å; L309-E330 HydrophobicContact CD1-CB 3.87Å; L309-E330 HydrophobicContact CD2-CB 4.29Å; L309-F334 HydrophobicContact CB-CD2 3.49Å; L309-F334 VanDerWaalsContact CB-CD2 3.49Å; L309-F334 HydrophobicContact CB-CE2 3.88Å; L309-F334 HydrophobicContact CB-CG 4.08Å; L309-F334 HydrophobicContact CD1-CD2 3.96Å; L309-F334 HydrophobicContact CD1-CE2 3.79Å; L309-F334 HydrophobicContact CG-CD2 4.24Å; L309-F334 HydrophobicContact CG-CE2 4.47Å; L309-K336 WeakPolarHBondContact O-CE 3.49Å; L309-K336 WeakPolarHBondContact O-CG 3.25Å
310Q92.8Very high93.9Very high46 Ų4624.5 Ų24.522%0.21513%0.128CC..Hα-helixtrans-72.3-30.4177.5-77.7177.4-12.100113.6H208 Y213 T306 Y307 F308 F334 K336H208-Q310 PolarHBondContact CE1-NE2 3.47Å; H208-Q310 PolarHBondContact ND1-NE2 2.83Å; Y213-Q310 VanDerWaalsContact CZ-NE2 3.29Å; Y213-Q310 PolarHBondContact OH-NE2 2.8Å; T306-Q310 HydrophobicContact CG2-CG 4.1Å; T306-Q310 WeakPolarHBondContact O-CB 3.45Å; T306-Q310 VanDerWaalsContact O-CG 3.28Å; T306-Q310 WeakPolarHBondContact O-CG 3.48Å; T306-Q310 PolarHBondContact O-N 3.32Å; Y307-Q310 PolarHBondContact O-N 3.1Å; F308-Q310 VanDerWaalsContact C-N 3.32Å; F308-Q310 PolarHBondContact O-N 3.33Å; Q310-F334 HydrophobicContact CG-CD1 3.43Å; Q310-F334 VanDerWaalsContact CG-CD1 3.43Å; Q310-F334 HydrophobicContact CG-CE1 3.58Å; Q310-F334 HydrophobicContact CG-CG 4.28Å; Q310-K336 WeakPolarHBondContact O-CE 3.37Å; Q310-K336 PolarHBondContact O-NZ 2.99Å
311N93.5Very high93.6Very high78 Ų7830 Ų3042%0.41715%0.146SC..Hα-helixtrans-106.8-11.2-170.1-68.2-75.8000114.2F224 Y307 F308F224-N311 HydrophobicContact CE1-CB 3.98Å; F224-N311 HydrophobicContact CZ-CB 3.94Å; Y307-N311 WeakPolarHBondContact CD2-ND2 3.36Å; Y307-N311 WeakPolarHBondContact CE2-ND2 3.41Å; Y307-N311 WeakPolarHBondContact O-CB 3.24Å; Y307-N311 PolarHBondContact O-N 3.4Å; Y307-N311 VanDerWaalsContact O-N 3.08Å; Y307-N311 PolarHBondContact O-ND2 2.98Å; F308-N311 PolarHBondContact O-N 3.14Å
312C96.5Very high93.4Very high2 Ų228.5 Ų28.51%0.01413%0.133CC..  trans-66.9154.8177.574.90000112.5F224 L226 F308 K336F224-C312 HydrophobicContact CD2-CB 3.83Å; F224-C312 HydrophobicContact CE2-CB 3.4Å; F224-C312 HydrophobicContact CZ-CB 3.99Å; F224-C312 WeakPolarHBondContact O-CA 3.16Å; L226-C312 HydrophobicContact CB-CB 3.62Å; L226-C312 HydrophobicContact CD2-CB 4.36Å; F308-C312 WeakPolarHBondContact O-CB 3.43Å; F308-C312 PolarHBondContact O-N 3.38Å; C312-K336 VanDerWaalsContact O-CD 3.32Å; C312-K336 WeakPolarHBondContact O-CD 3.39Å; C312-K336 WeakPolarHBondContact O-CE 3.48Å; C312-K336 PolarHBondContact O-NZ 3.41Å
313I96.7Very high93.2Very high34 Ų3429.6 Ų29.617%0.17414%0.138CC..SBendtrans-69.4-47.7170.6-70.1163.7000109.9F224 F225 L259 P337 V373 L374F224-I313 WeakPolarHBondContact O-CB 3.27Å; F224-I313 PolarHBondContact O-N 2.68Å; F225-I313 HydrophobicContact CE1-CG2 4.16Å; F225-I313 HydrophobicContact CE2-CD1 4.47Å; F225-I313 HydrophobicContact CZ-CG2 4.09Å; L259-I313 HydrophobicContact CD1-CD1 3.39Å; I313-P337 VanDerWaalsContact O-CD 3.29Å; I313-P337 WeakPolarHBondContact O-CD 3.42Å; I313-V373 HydrophobicContact CG2-CG1 3.44Å; I313-V373 VanDerWaalsContact CG2-CG1 3.44Å; I313-L374 HydrophobicContact CD1-CD2 3.89Å; I313-L374 HydrophobicContact CG2-CD2 4.1Å
314A97.9Very high93.2Very high0 Ų026 Ų260%012%0.123CC..EExtended strand (participates in β ladder)trans-158.7156.5178.900000110.3F225 L226 P337 V373F225-A314 HydrophobicContact CD1-CB 3.88Å; F225-A314 HydrophobicContact CE1-CB 3.82Å; L226-A314 PolarHBondContact N-O 3.14Å; A314-P337 CarbonylContact C-O 3.43Å; A314-P337 VanDerWaalsContact CA-O 3.26Å; A314-P337 WeakPolarHBondContact CA-O 3.45Å; A314-P337 HydrophobicContact CB-CB 4.02Å; A314-P337 HydrophobicContact CB-CG 4.31Å; A314-P337 VanDerWaalsContact CB-O 3.25Å; A314-P337 WeakPolarHBondContact CB-O 3.5Å; A314-V373 HydrophobicContact CB-CG1 4.07Å
315L98.5Very high93.2Very high0 Ų023.9 Ų23.90%011%0.114CC..EExtended strand (participates in β ladder)trans-96.9128.1175.2174.468.3000110.1L226 L228 V327 P337 V338 I339L226-L315 HydrophobicContact CB-CD1 4.42Å; L226-L315 HydrophobicContact CD2-CD1 4.14Å; L226-L315 HydrophobicContact CG-CD1 4.08Å; L226-L315 CarbonylContact O-C 3.58Å; L226-L315 WeakPolarHBondContact O-CA 3.37Å; L228-L315 HydrophobicContact CB-CD1 3.88Å; L315-V327 HydrophobicContact CD1-CG1 3.89Å; L315-V327 HydrophobicContact CD2-CG1 3.65Å; L315-V327 WeakPolarHBondContact CD2-O 3.33Å; L315-V327 HydrophobicContact CG-CG1 4.32Å; L315-P337 PolarHBondContact N-O 3.44Å; L315-V338 HydrophobicContact CB-CG2 4.28Å; L315-V338 HydrophobicContact CD2-CG1 4.23Å; L315-V338 HydrophobicContact CD2-CG2 4.09Å; L315-V338 HydrophobicContact CG-CG1 4.44Å; L315-V338 WeakPolarHBondContact O-CA 3.26Å; L315-I339 PolarHBondContact O-N 3.1Å
316L98.5Very high93.2Very high0 Ų024 Ų240%012%0.115CC..EExtended strand (participates in β ladder)trans-98105.2175.4-56.5-177.8000109.5F225 L226 A240 L261 I339 M370F225-L316 HydrophobicContact CB-CD1 4.09Å; F225-L316 HydrophobicContact CB-CG 4.35Å; F225-L316 HydrophobicContact CD1-CD2 4.06Å; F225-L316 HydrophobicContact CD1-CG 4.35Å; L226-L316 PolarHBondContact O-N 3.16Å; A240-L316 HydrophobicContact CB-CD1 4.05Å; L261-L316 HydrophobicContact CD1-CD1 3.91Å; L316-I339 HydrophobicContact CD2-CB 4.02Å; L316-I339 HydrophobicContact CD2-CD1 3.78Å; L316-I339 HydrophobicContact CD2-CG1 4.37Å; L316-M370 HydrophobicContact CD1-CE 3.97Å; L316-M370 HydrophobicContact CD1-SD 4.04Å; L316-M370 HydrophobicContact CD2-CG 3.87Å; L316-M370 HydrophobicContact CD2-SD 4.1Å
317H97.8Very high93.3Very high1 Ų125 Ų251%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-94.1100.3174.3-177.7-87.4000109.7V328 V338 I339 S340 P346H317-V328 HydrophobicContact CB-CG2 4.03Å; H317-V338 HydrophobicContact CB-CG1 4.21Å; H317-I339 PolarHBondContact N-O 3.47Å; H317-S340 PolarHBondContact ND1-OG 3.31Å; H317-P346 VanDerWaalsContact CE1-CG 3.46Å; H317-P346 WeakPolarHBondContact CE1-CG 3.33Å
318T96.9Very high93.5Very high1 Ų122.9 Ų22.91%0.00611%0.113CC..  trans-98.1-16-17451.90000118.1K235 N236 L239 A240 P320 F366K235-T318 PolarHBondContact O-OG1 3.33Å; N236-T318 PolarHBondContact ND2-O 3.37Å; N236-T318 VanDerWaalsContact O-CB 3.26Å; N236-T318 WeakPolarHBondContact O-CB 3.29Å; N236-T318 PolarHBondContact O-OG1 3.18Å; L239-T318 HydrophobicContact CB-CG2 3.9Å; L239-T318 HydrophobicContact CD2-CG2 4.12Å; L239-T318 HydrophobicContact CG-CG2 4.03Å; A240-T318 HydrophobicContact CB-CG2 3.83Å; T318-P320 WeakPolarHBondContact O-CD 3.47Å; T318-F366 HydrophobicContact CG2-CE1 4.29Å
319P93.3Very high93.7Very high0 Ų022.9 Ų22.90%011%0.113CC..  trans-58.6123.6-179-24.331.5000112N229 K235 E322N229-P319 WeakPolarHBondContact ND2-CD 3.25Å; N229-P319 WeakPolarHBondContact ND2-CG 3.47Å; K235-P319 HydrophobicContact CB-CG 4.31Å; K235-P319 HydrophobicContact CD-CB 4.1Å; K235-P319 HydrophobicContact CD-CG 3.67Å; P319-E322 HydrophobicContact CB-CB 4.1Å; P319-E322 HydrophobicContact CB-CG 4.44Å; P319-E322 WeakPolarHBondContact CB-OE2 3.25Å; P319-E322 WeakPolarHBondContact CG-OE2 3.29Å
320P88.6Confident93.8Very high60 Ų6023.1 Ų23.139%0.3911%0.114SC..THydrogen-bonded Turntrans-70.9138.1173.430-34.3000110.2E234 T318 E322E234-P320 WeakPolarHBondContact O-CD 3.33Å; T318-P320 WeakPolarHBondContact O-CD 3.47Å; P320-E322 PolarHBondContact O-N 3.2Å; P320-E322 VanDerWaalsContact O-N 3.11Å
321R84.4Confident94Very high135 Ų13521 Ų2151%0.50910%0.104SC..THydrogen-bonded Turntrans50.238.7175.7-50.6-177.488.5-174.95.4113F155F155-R321 HydrophobicContact CE1-CB 4.34Å; F155-R321 VanDerWaalsContact CE1-O 3.25Å; F155-R321 WeakPolarHBondContact CE1-O 3.21Å; F155-R321 HydrophobicContact CZ-CB 3.84Å
322E86.3Confident94.2Very high23 Ų2317.2 Ų17.211%0.1078%0.084CC..  trans-56.4143.1176.8-174.959-117.900110.7K235 P319 P320 F324 G344 G345 P346K235-E322 IonicContact NZ-OE1 2.91Å; K235-E322 PolarHBondContact NZ-OE1 3.24Å; K235-E322 IonicContact NZ-OE2 2.88Å; K235-E322 PolarHBondContact NZ-OE2 3.48Å; P319-E322 HydrophobicContact CB-CB 4.1Å; P319-E322 HydrophobicContact CB-CG 4.44Å; P319-E322 WeakPolarHBondContact CB-OE2 3.25Å; P319-E322 WeakPolarHBondContact CG-OE2 3.29Å; P320-E322 PolarHBondContact O-N 3.2Å; P320-E322 VanDerWaalsContact O-N 3.11Å; E322-F324 PolarHBondContact O-N 3.36Å; E322-G344 CarbonylContact O-C 3.59Å; E322-G344 WeakPolarHBondContact O-CA 3.2Å; E322-G345 PolarHBondContact O-N 3.15Å; E322-P346 HydrophobicContact CB-CG 4.22Å
323H84.5Confident94.2Very high52 Ų5218.7 Ų18.724%0.2419%0.09CC..SBendtrans-69.5-39.3-171.8-48.5-35.5000112.5Y115 I152 S153 G345Y115-H323 VanDerWaalsContact CB-CE1 3.42Å; Y115-H323 WeakPolarHBondContact CB-CE1 3.08Å; Y115-H323 WeakPolarHBondContact CB-NE2 3.34Å; Y115-H323 AromaticContact CD1-CE1 3.74Å; Y115-H323 AromaticContact CD2-CE1 2.96Å; Y115-H323 WeakPolarHBondContact CD2-CE1 3.5Å; Y115-H323 AromaticContact CD2-ND1 3.05Å; Y115-H323 WeakPolarHBondContact CD2-ND1 3.47Å; Y115-H323 AromaticContact CD2-NE2 3.88Å; Y115-H323 AromaticContact CE2-CE1 3.46Å; Y115-H323 VanDerWaalsContact CE2-CE1 3.46Å; Y115-H323 WeakPolarHBondContact CE2-CE1 3.36Å; Y115-H323 AromaticContact CE2-ND1 3.64Å; Y115-H323 AromaticContact CG-CE1 3.09Å; Y115-H323 AromaticContact CG-ND1 3.6Å; Y115-H323 AromaticContact CG-NE2 3.6Å; I152-H323 HydrophobicContact CD1-CB 3.55Å; S153-H323 VanDerWaalsContact CB-O 3.23Å; S153-H323 WeakPolarHBondContact CB-O 3.36Å; S153-H323 PolarHBondContact OG-O 2.65Å; H323-G345 WeakPolarHBondContact O-CA 3.47Å
324F89.5Confident94.2Very high5 Ų518 Ų182%0.0229%0.085CC..SBendtrans-145.7-56.1176.6-174.8-114.6000111.2I152 H197 P198 E322 L326 L329 G345 P346 I349 F395I152-F324 HydrophobicContact CD1-CB 3.77Å; I152-F324 HydrophobicContact CG1-CB 4.44Å; I152-F324 VanDerWaalsContact O-CD2 3.3Å; I152-F324 WeakPolarHBondContact O-CD2 3.28Å; H197-F324 HydrophobicContact CB-CE2 4.12Å; H197-F324 HydrophobicContact CB-CZ 4.1Å; H197-F324 AromaticContact CD2-CE2 3.59Å; P198-F324 HydrophobicContact CB-CD1 3.8Å; P198-F324 HydrophobicContact CB-CE1 3.66Å; P198-F324 HydrophobicContact CB-CZ 4.48Å; P198-F324 HydrophobicContact CG-CD1 3.57Å; P198-F324 HydrophobicContact CG-CE1 3.83Å; P198-F324 HydrophobicContact CG-CG 4.04Å; E322-F324 PolarHBondContact O-N 3.36Å; F324-L326 HydrophobicContact CD1-CD2 3.87Å; F324-L326 HydrophobicContact CE1-CD2 4.04Å; F324-L329 HydrophobicContact CE1-CD1 3.64Å; F324-L329 HydrophobicContact CE1-CG 4.32Å; F324-L329 HydrophobicContact CZ-CD1 4.22Å; F324-G345 CarbonylContact O-C 3.53Å; F324-G345 VanDerWaalsContact O-C 3.32Å; F324-P346 WeakPolarHBondContact O-CD 3.49Å; F324-I349 HydrophobicContact CD1-CD1 4.16Å; F324-I349 HydrophobicContact CD2-CD1 4.18Å; F324-I349 HydrophobicContact CD2-CG1 4.36Å; F324-I349 HydrophobicContact CE1-CD1 3.95Å; F324-I349 HydrophobicContact CE2-CD1 3.95Å; F324-I349 HydrophobicContact CE2-CG1 3.81Å; F324-I349 HydrophobicContact CG-CD1 4.28Å; F324-I349 HydrophobicContact CZ-CD1 3.84Å; F324-I349 HydrophobicContact CZ-CG1 3.9Å; F324-I349 VanDerWaalsContact O-CD1 3.31Å; F324-I349 WeakPolarHBondContact O-CD1 3.43Å; F324-F395 HydrophobicContact CE2-CE1 4.18Å; F324-F395 AromaticContact CZ-CD1 3.9Å; F324-F395 HydrophobicContact CZ-CD1 3.9Å; F324-F395 AromaticContact CZ-CE1 3.68Å; F324-F395 HydrophobicContact CZ-CE1 3.68Å; F324-F395 HydrophobicContact CZ-CZ 4.48Å
325G91.1Very high94.1Very high6 Ų618.3 Ų18.36%0.0629%0.088CC..  trans95.767.1176.600000113.2V327 V328G325-V327 PolarHBondContact O-N 3.07Å; G325-V328 WeakPolarHBondContact O-CB 3.43Å; G325-V328 PolarHBondContact O-N 3.44Å
326L94.4Very high94Very high16 Ų1620 Ų208%0.08410%0.096CC..Hα-helixtrans-54.8-36.3178.7-67.9-177000113.2G14 F17 P198 C199 P201 F324 V328 L329 E330G14-L326 WeakPolarHBondContact O-CD1 3.28Å; F17-L326 HydrophobicContact CB-CD1 4.16Å; P198-L326 HydrophobicContact CB-CD2 3.59Å; P198-L326 HydrophobicContact CG-CD2 4.42Å; C199-L326 VanDerWaalsContact O-CD2 3.29Å; C199-L326 WeakPolarHBondContact O-CD2 3.26Å; P201-L326 HydrophobicContact CG-CB 4.34Å; P201-L326 HydrophobicContact CG-CD1 4.08Å; F324-L326 HydrophobicContact CD1-CD2 3.87Å; F324-L326 HydrophobicContact CE1-CD2 4.04Å; L326-V328 PolarHBondContact O-N 2.79Å; L326-L329 HydrophobicContact CD2-CD1 4.21Å; L326-L329 WeakPolarHBondContact O-CA 3.36Å; L326-L329 VanDerWaalsContact O-CB 3.3Å; L326-L329 WeakPolarHBondContact O-CB 3.4Å; L326-L329 PolarHBondContact O-N 3.37Å; L326-E330 WeakPolarHBondContact O-CG 3.38Å; L326-E330 PolarHBondContact O-N 2.85Å
327V95.4Very high93.9Very high21 Ų2120 Ų2013%0.12710%0.096CC..Hα-helixtrans-60.8-29177.2176.20000112.1L228 L315 G325 E330 G331L228-V327 HydrophobicContact CB-CG1 3.87Å; L228-V327 HydrophobicContact CD2-CG1 3.77Å; L228-V327 HydrophobicContact CG-CG1 3.85Å; L228-V327 HydrophobicContact CG-CG2 4.35Å; L228-V327 VanDerWaalsContact O-CG1 3.3Å; L228-V327 WeakPolarHBondContact O-CG1 3.4Å; L315-V327 HydrophobicContact CD1-CG1 3.89Å; L315-V327 HydrophobicContact CD2-CG1 3.65Å; L315-V327 WeakPolarHBondContact CD2-O 3.33Å; L315-V327 HydrophobicContact CG-CG1 4.32Å; G325-V327 PolarHBondContact O-N 3.07Å; V327-E330 WeakPolarHBondContact O-CB 3.46Å; V327-E330 PolarHBondContact O-N 3.19Å; V327-G331 PolarHBondContact O-N 2.97Å
328V97.3Very high94Very high0 Ų019.9 Ų19.90%010%0.095CC..Hα-helixtrans-62-45.5171.8177.40000110.5H317 G325 L326 E330 G331 M332 V338 P346 I349 I350H317-V328 HydrophobicContact CB-CG2 4.03Å; G325-V328 WeakPolarHBondContact O-CB 3.43Å; G325-V328 PolarHBondContact O-N 3.44Å; L326-V328 PolarHBondContact O-N 2.79Å; V328-E330 VanDerWaalsContact C-N 3.32Å; V328-E330 PolarHBondContact O-N 2.91Å; V328-G331 PolarHBondContact O-N 3.13Å; V328-M332 HydrophobicContact CG1-CG 4.42Å; V328-M332 HydrophobicContact CG1-SD 3.81Å; V328-M332 WeakPolarHBondContact O-CB 3.47Å; V328-M332 VanDerWaalsContact O-CG 3.27Å; V328-M332 WeakPolarHBondContact O-CG 3.27Å; V328-M332 PolarHBondContact O-N 3.23Å; V328-V338 HydrophobicContact CB-CG1 4.43Å; V328-V338 HydrophobicContact CG1-CB 4.48Å; V328-V338 HydrophobicContact CG1-CG1 4.05Å; V328-V338 HydrophobicContact CG2-CG1 4.21Å; V328-P346 HydrophobicContact CG2-CB 4.27Å; V328-P346 HydrophobicContact CG2-CG 4.35Å; V328-I349 HydrophobicContact CB-CD1 4.29Å; V328-I349 HydrophobicContact CG1-CB 4.36Å; V328-I349 HydrophobicContact CG1-CD1 4.42Å; V328-I349 HydrophobicContact CG1-CG2 3.86Å; V328-I350 HydrophobicContact CG1-CD1 3.63Å; V328-I350 HydrophobicContact CG1-CG1 3.79Å
329L97.7Very high94Very high0 Ų019.9 Ų19.90%010%0.095CC..Hα-helixtrans-61.1-42.7175-60-178.6000111.3L200 F324 L326 M332 Y333 I349 V391 F395L200-L329 HydrophobicContact CB-CB 4.4Å; L200-L329 HydrophobicContact CD1-CB 4.03Å; F324-L329 HydrophobicContact CE1-CD1 3.64Å; F324-L329 HydrophobicContact CE1-CG 4.32Å; F324-L329 HydrophobicContact CZ-CD1 4.22Å; L326-L329 HydrophobicContact CD2-CD1 4.21Å; L326-L329 WeakPolarHBondContact O-CA 3.36Å; L326-L329 VanDerWaalsContact O-CB 3.3Å; L326-L329 WeakPolarHBondContact O-CB 3.4Å; L326-L329 PolarHBondContact O-N 3.37Å; L329-M332 PolarHBondContact O-N 3.02Å; L329-Y333 VanDerWaalsContact O-CB 3.3Å; L329-Y333 WeakPolarHBondContact O-CB 3.44Å; L329-Y333 PolarHBondContact O-N 2.95Å; L329-I349 HydrophobicContact CD2-CB 4.49Å; L329-I349 HydrophobicContact CD2-CD1 4.02Å; L329-I349 HydrophobicContact CD2-CG1 4.23Å; L329-I349 HydrophobicContact CD2-CG2 3.47Å; L329-I349 VanDerWaalsContact CD2-CG2 3.47Å; L329-I349 HydrophobicContact CG-CD1 4.14Å; L329-V391 HydrophobicContact CD2-CG2 4.15Å; L329-F395 HydrophobicContact CD1-CB 3.85Å; L329-F395 HydrophobicContact CD1-CD1 4.4Å; L329-F395 HydrophobicContact CD1-CG 4.15Å; L329-F395 HydrophobicContact CD2-CB 3.81Å; L329-F395 HydrophobicContact CD2-CD1 4.23Å; L329-F395 HydrophobicContact CD2-CD2 3.44Å; L329-F395 VanDerWaalsContact CD2-CD2 3.44Å; L329-F395 HydrophobicContact CD2-CE2 4Å; L329-F395 HydrophobicContact CD2-CG 3.57Å; L329-F395 HydrophobicContact CG-CB 4.47Å
330E97.4Very high94.2Very high6 Ų619.9 Ų19.93%0.02810%0.095CC..Hα-helixtrans-58.2-51177.5-60.4-177.2-174.400111.1L200 V204 K305 L309 L326 V327 V328 M332 Y333 F334L200-E330 HydrophobicContact CD1-CB 4.32Å; L200-E330 HydrophobicContact CD1-CG 3.95Å; V204-E330 HydrophobicContact CG1-CG 4.34Å; V204-E330 HydrophobicContact CG2-CG 3.89Å; K305-E330 WeakPolarHBondContact CE-OE2 3.34Å; K305-E330 IonicContact NZ-OE1 2.72Å; K305-E330 PolarHBondContact NZ-OE1 3.47Å; K305-E330 VanDerWaalsContact NZ-OE1 3.14Å; K305-E330 IonicContact NZ-OE2 3.61Å; K305-E330 PolarHBondContact NZ-OE2 2.88Å; L309-E330 HydrophobicContact CD1-CB 3.87Å; L309-E330 HydrophobicContact CD2-CB 4.29Å; L326-E330 WeakPolarHBondContact O-CG 3.38Å; L326-E330 PolarHBondContact O-N 2.85Å; V327-E330 WeakPolarHBondContact O-CB 3.46Å; V327-E330 PolarHBondContact O-N 3.19Å; V328-E330 VanDerWaalsContact C-N 3.32Å; V328-E330 PolarHBondContact O-N 2.91Å; E330-M332 PolarHBondContact O-N 3.25Å; E330-Y333 WeakPolarHBondContact O-CB 3.24Å; E330-Y333 PolarHBondContact O-N 2.78Å; E330-F334 WeakPolarHBondContact O-CD2 3.24Å; E330-F334 PolarHBondContact O-N 3.5Å
331G97.4Very high94.5Very high0 Ų017 Ų170%08%0.077CC..Hα-helixtrans-59.5-46.4177.300000112.9V327 V328 Y333 F334 G335 K336V327-G331 PolarHBondContact O-N 2.97Å; V328-G331 PolarHBondContact O-N 3.13Å; G331-Y333 VanDerWaalsContact C-N 3.34Å; G331-Y333 PolarHBondContact O-N 2.84Å; G331-F334 PolarHBondContact O-N 2.95Å; G331-G335 PolarHBondContact O-N 3.21Å; G331-K336 WeakPolarHBondContact O-CB 3.36Å; G331-K336 PolarHBondContact O-N 3.38Å
332M97.9Very high94.8Very high0 Ų013.9 Ų13.90%07%0.073CC..Hα-helixtrans-64.7-36.5179.1-70.417673.800112.4V328 L329 E330 F334 G335 V338 I349 I350 D355 A387 K388 T390 V391V328-M332 HydrophobicContact CG1-CG 4.42Å; V328-M332 HydrophobicContact CG1-SD 3.81Å; V328-M332 WeakPolarHBondContact O-CB 3.47Å; V328-M332 VanDerWaalsContact O-CG 3.27Å; V328-M332 WeakPolarHBondContact O-CG 3.27Å; V328-M332 PolarHBondContact O-N 3.23Å; L329-M332 PolarHBondContact O-N 3.02Å; E330-M332 PolarHBondContact O-N 3.25Å; M332-F334 PolarHBondContact O-N 3.08Å; M332-G335 WeakPolarHBondContact O-CA 3.27Å; M332-G335 PolarHBondContact O-N 2.91Å; M332-V338 HydrophobicContact CG-CG2 3.75Å; M332-I349 HydrophobicContact CE-CG2 4.41Å; M332-I349 HydrophobicContact SD-CG2 3.6Å; M332-I350 HydrophobicContact SD-CG1 4Å; M332-D355 HydrophobicContact CE-CB 4.08Å; M332-A387 HydrophobicContact CB-CB 3.91Å; M332-A387 HydrophobicContact CE-CB 4.09Å; M332-A387 HydrophobicContact CG-CB 3.95Å; M332-A387 CarbonylContact O-C 3.58Å; M332-K388 WeakPolarHBondContact O-CG 3.37Å; M332-K388 PolarHBondContact O-N 3.46Å; M332-T390 HydrophobicContact CE-CG2 3.79Å; M332-V391 HydrophobicContact CB-CG2 3.42Å; M332-V391 VanDerWaalsContact CB-CG2 3.42Å; M332-V391 HydrophobicContact CE-CG2 4.47Å; M332-V391 HydrophobicContact SD-CG2 4.46Å
333Y97.3Very high94.9Very high33 Ų3317 Ų1713%0.1299%0.087CC..Hα-helixtrans-60.8-42.8176.3176.8-105.9000112.2L200 V205 H208 L329 E330 G331 G335 V391 M396L200-Y333 HydrophobicContact CD1-CG 4.46Å; L200-Y333 HydrophobicContact CD2-CD1 3.92Å; L200-Y333 HydrophobicContact CD2-CD2 3.37Å; L200-Y333 HydrophobicContact CD2-CE1 4.35Å; L200-Y333 HydrophobicContact CD2-CE2 3.86Å; L200-Y333 HydrophobicContact CD2-CG 3.41Å; L200-Y333 VanDerWaalsContact CD2-CG 3.41Å; V205-Y333 HydrophobicContact CG2-CE2 4.45Å; H208-Y333 HydrophobicContact CB-CE1 4.48Å; H208-Y333 AromaticContact CD2-CE1 3.76Å; L329-Y333 VanDerWaalsContact O-CB 3.3Å; L329-Y333 WeakPolarHBondContact O-CB 3.44Å; L329-Y333 PolarHBondContact O-N 2.95Å; E330-Y333 WeakPolarHBondContact O-CB 3.24Å; E330-Y333 PolarHBondContact O-N 2.78Å; G331-Y333 VanDerWaalsContact C-N 3.34Å; G331-Y333 PolarHBondContact O-N 2.84Å; Y333-G335 PolarHBondContact O-N 2.87Å; Y333-V391 HydrophobicContact CD2-CG1 4.32Å; Y333-M396 HydrophobicContact CE2-CE 4.45Å
334F95.8Very high94.9Very high19 Ų1915 Ų158%0.0838%0.08CC..THydrogen-bonded Turntrans-74.71.3173.4-70.8-72000113.4V204 H208 T306 L309 Q310 E330 G331 M332 K336V204-F334 HydrophobicContact CG1-CE2 3.64Å; V204-F334 HydrophobicContact CG1-CZ 4.08Å; H208-F334 HydrophobicContact CB-CE1 4.05Å; H208-F334 HydrophobicContact CB-CZ 4.02Å; H208-F334 AromaticContact CD2-CE1 3.94Å; H208-F334 AromaticContact CG-CE1 3.65Å; H208-F334 AromaticContact ND1-CE1 3.77Å; T306-F334 HydrophobicContact CG2-CE1 3.77Å; T306-F334 HydrophobicContact CG2-CE2 4.45Å; T306-F334 HydrophobicContact CG2-CZ 3.52Å; L309-F334 HydrophobicContact CB-CD2 3.49Å; L309-F334 VanDerWaalsContact CB-CD2 3.49Å; L309-F334 HydrophobicContact CB-CE2 3.88Å; L309-F334 HydrophobicContact CB-CG 4.08Å; L309-F334 HydrophobicContact CD1-CD2 3.96Å; L309-F334 HydrophobicContact CD1-CE2 3.79Å; L309-F334 HydrophobicContact CG-CD2 4.24Å; L309-F334 HydrophobicContact CG-CE2 4.47Å; Q310-F334 HydrophobicContact CG-CD1 3.43Å; Q310-F334 VanDerWaalsContact CG-CD1 3.43Å; Q310-F334 HydrophobicContact CG-CE1 3.58Å; Q310-F334 HydrophobicContact CG-CG 4.28Å; E330-F334 WeakPolarHBondContact O-CD2 3.24Å; E330-F334 PolarHBondContact O-N 3.5Å; G331-F334 PolarHBondContact O-N 2.95Å; M332-F334 PolarHBondContact O-N 3.08Å; F334-K336 VanDerWaalsContact C-N 3.3Å; F334-K336 HydrophobicContact CB-CG 4.15Å
335G95.8Very high94.8Very high6 Ų614.8 Ų14.86%0.0628%0.079CC..THydrogen-bonded Turntrans6438.2-176.600000111.8G331 M332 Y333 K384 K388G331-G335 PolarHBondContact O-N 3.21Å; M332-G335 WeakPolarHBondContact O-CA 3.27Å; M332-G335 PolarHBondContact O-N 2.91Å; Y333-G335 PolarHBondContact O-N 2.87Å; G335-K384 WeakPolarHBondContact O-CB 3.47Å; G335-K384 WeakPolarHBondContact O-CD 3.31Å; G335-K384 WeakPolarHBondContact O-CG 3.48Å; G335-K388 VanDerWaalsContact N-CE 3.34Å
336K96.7Very high94.9Very high35 Ų3514.5 Ų14.515%0.1528%0.076CC..  trans-93.8135.8171.8-58.6-55.1-172173.10109.5L309 Q310 C312 G331 F334 V338L309-K336 WeakPolarHBondContact O-CE 3.49Å; L309-K336 WeakPolarHBondContact O-CG 3.25Å; Q310-K336 WeakPolarHBondContact O-CE 3.37Å; Q310-K336 PolarHBondContact O-NZ 2.99Å; C312-K336 VanDerWaalsContact O-CD 3.32Å; C312-K336 WeakPolarHBondContact O-CD 3.39Å; C312-K336 WeakPolarHBondContact O-CE 3.48Å; C312-K336 PolarHBondContact O-NZ 3.41Å; G331-K336 WeakPolarHBondContact O-CB 3.36Å; G331-K336 PolarHBondContact O-N 3.38Å; F334-K336 VanDerWaalsContact C-N 3.3Å; F334-K336 HydrophobicContact CB-CG 4.15Å; K336-V338 PolarHBondContact O-N 3.12Å
337P97.1Very high94.8Very high0 Ų016.7 Ų16.70%09%0.091CC..  trans-55.2129.6167-14.726.3000109I313 A314 L315 V373 L380 L383 K384I313-P337 VanDerWaalsContact O-CD 3.29Å; I313-P337 WeakPolarHBondContact O-CD 3.42Å; A314-P337 CarbonylContact C-O 3.43Å; A314-P337 VanDerWaalsContact CA-O 3.26Å; A314-P337 WeakPolarHBondContact CA-O 3.45Å; A314-P337 HydrophobicContact CB-CB 4.02Å; A314-P337 HydrophobicContact CB-CG 4.31Å; A314-P337 VanDerWaalsContact CB-O 3.25Å; A314-P337 WeakPolarHBondContact CB-O 3.5Å; L315-P337 PolarHBondContact N-O 3.44Å; P337-V373 HydrophobicContact CB-CG2 4.22Å; P337-V373 HydrophobicContact CG-CG1 4.39Å; P337-L380 HydrophobicContact CB-CD1 3.86Å; P337-L380 HydrophobicContact CG-CD1 3.3Å; P337-L380 HydrophobicContact CG-CD2 4.34Å; P337-L380 HydrophobicContact CG-CG 3.91Å; P337-L383 HydrophobicContact CB-CD2 4.05Å; P337-K384 HydrophobicContact CG-CG 4.22Å
338V98.2Very high94.7Very high0 Ų017.1 Ų17.10%09%0.091CC..EExtended strand (participates in β ladder)trans-107.6125.1173.8-174.10000108.8L315 H317 V328 M332 K336 I350 I357L315-V338 HydrophobicContact CB-CG2 4.28Å; L315-V338 HydrophobicContact CD2-CG1 4.23Å; L315-V338 HydrophobicContact CD2-CG2 4.09Å; L315-V338 HydrophobicContact CG-CG1 4.44Å; L315-V338 WeakPolarHBondContact O-CA 3.26Å; H317-V338 HydrophobicContact CB-CG1 4.21Å; V328-V338 HydrophobicContact CB-CG1 4.43Å; V328-V338 HydrophobicContact CG1-CB 4.48Å; V328-V338 HydrophobicContact CG1-CG1 4.05Å; V328-V338 HydrophobicContact CG2-CG1 4.21Å; M332-V338 HydrophobicContact CG-CG2 3.75Å; K336-V338 PolarHBondContact O-N 3.12Å; V338-I350 HydrophobicContact CB-CD1 4.27Å; V338-I350 HydrophobicContact CG1-CD1 4.18Å; V338-I357 PolarHBondContact O-N 2.94Å
339I98.2Very high94.6Very high0 Ų017.1 Ų17.10%09%0.091CC..EExtended strand (participates in β ladder)trans-101.7113.8171.7-59.3168.5000107L315 L316 H317 I357 T359 F366 A369 M370 V373L315-I339 PolarHBondContact O-N 3.1Å; L316-I339 HydrophobicContact CD2-CB 4.02Å; L316-I339 HydrophobicContact CD2-CD1 3.78Å; L316-I339 HydrophobicContact CD2-CG1 4.37Å; H317-I339 PolarHBondContact N-O 3.47Å; I339-I357 WeakPolarHBondContact CA-O 3.18Å; I339-I357 HydrophobicContact CD1-CD1 4.42Å; I339-I357 HydrophobicContact CG1-CB 4.22Å; I339-I357 HydrophobicContact CG1-CD1 3.78Å; I339-T359 HydrophobicContact CG2-CG2 4.28Å; I339-F366 HydrophobicContact CG2-CD1 3.74Å; I339-F366 HydrophobicContact CG2-CE1 3.83Å; I339-F366 HydrophobicContact CG2-CG 4.09Å; I339-F366 HydrophobicContact CG2-CZ 4.25Å; I339-A369 HydrophobicContact CD1-CB 3.85Å; I339-A369 HydrophobicContact CG1-CB 4.11Å; I339-A369 HydrophobicContact CG2-CB 3.83Å; I339-M370 HydrophobicContact CD1-CB 4.43Å; I339-M370 HydrophobicContact CD1-CG 3.75Å; I339-V373 HydrophobicContact CD1-CG2 4.31Å
340S97.5Very high94.5Very high0 Ų017.3 Ų17.30%09%0.092CC..EExtended strand (participates in β ladder)trans-129.8163.9-178.3-172.60000111.9H317 P346 I357 L358 T359H317-S340 PolarHBondContact ND1-OG 3.31Å; S340-P346 VanDerWaalsContact OG-CB 3.28Å; S340-P346 WeakPolarHBondContact OG-CB 3.31Å; S340-I357 PolarHBondContact N-O 2.83Å; S340-L358 WeakPolarHBondContact O-CA 3.31Å; S340-T359 PolarHBondContact O-N 3.43Å
341S93.8Very high94.5Very high1 Ų119.4 Ų19.41%0.00711%0.108CC..EExtended strand (participates in β ladder)trans-68.5152.6172.765.60000112.1E343 T359S341-E343 PolarHBondContact O-N 3.45Å; S341-E343 PolarHBondContact OG-O 3.27Å; S341-T359 CarbonylContact C-O 3.6Å; S341-T359 VanDerWaalsContact CA-O 3.24Å; S341-T359 WeakPolarHBondContact CA-O 3.47Å
342T92.6Very high94.4Very high69 Ų6923.2 Ų23.242%0.42313%0.128SC..SBendtrans-7420.7171.5510000113.6V347 L358 T359T342-V347 VanDerWaalsContact C-CG1 3.47Å; T342-L358 HydrophobicContact CG2-CB 3.91Å; T342-T359 PolarHBondContact N-O 2.87Å; T342-T359 VanDerWaalsContact N-O 3.17Å
343E87.3Confident94.3Very high89 Ų8926.7 Ų26.742%0.41614%0.144SC..SBendtrans-134.7151.7-171.2-63.2179-163.800111.4S341S341-E343 PolarHBondContact O-N 3.45Å; S341-E343 PolarHBondContact OG-O 3.27Å
344G85.5Confident94.3Very high9 Ų931 Ų319%0.09316%0.164CC..SBendtrans75.8-166178.500000113.5E322 V347E322-G344 CarbonylContact O-C 3.59Å; E322-G344 WeakPolarHBondContact O-CA 3.2Å; G344-V347 WeakPolarHBondContact O-CG2 3.33Å
345G86.9Confident94.3Very high0 Ų030.2 Ų30.20%016%0.16CC..THydrogen-bonded Turntrans-63.2-26.2-177.100000117.4E322 H323 F324 V347 E348E322-G345 PolarHBondContact O-N 3.15Å; H323-G345 WeakPolarHBondContact O-CA 3.47Å; F324-G345 CarbonylContact O-C 3.53Å; F324-G345 VanDerWaalsContact O-C 3.32Å; G345-V347 PolarHBondContact O-N 2.87Å; G345-E348 WeakPolarHBondContact O-CB 3.48Å; G345-E348 PolarHBondContact O-N 2.93Å
346P92.6Very high94.4Very high0 Ų029.9 Ų29.90%016%0.157CC..Hα-helixtrans-56.3-25.5176.8-30.637000114.7H317 E322 F324 V328 S340 E348 I349 I350H317-P346 VanDerWaalsContact CE1-CG 3.46Å; H317-P346 WeakPolarHBondContact CE1-CG 3.33Å; E322-P346 HydrophobicContact CB-CG 4.22Å; F324-P346 WeakPolarHBondContact O-CD 3.49Å; V328-P346 HydrophobicContact CG2-CB 4.27Å; V328-P346 HydrophobicContact CG2-CG 4.35Å; S340-P346 VanDerWaalsContact OG-CB 3.28Å; S340-P346 WeakPolarHBondContact OG-CB 3.31Å; P346-E348 PolarHBondContact O-N 3.23Å; P346-I349 PolarHBondContact O-N 2.85Å; P346-I349 VanDerWaalsContact O-N 3.14Å; P346-I350 PolarHBondContact O-N 2.67Å
347V93.3Very high94.4Very high63 Ų6328.4 Ų28.438%0.38215%0.15SC..Hα-helixtrans-69.1-15.8177.8-48.40000113.4T342 G344 G345 L358T342-V347 VanDerWaalsContact C-CG1 3.47Å; G344-V347 WeakPolarHBondContact O-CG2 3.33Å; G345-V347 PolarHBondContact O-N 2.87Å; V347-L358 HydrophobicContact CB-CD1 4.24Å; V347-L358 HydrophobicContact CG1-CD1 4.17Å
348E92Very high94.4Very high29 Ų2929.4 Ų29.414%0.13616%0.156CC..Hα-helixtrans-88.3-20.3174.6-63.3179-131.400112.3S153 N154 F155 H197 G345 P346 R394S153-E348 VanDerWaalsContact CB-OE1 3.25Å; S153-E348 WeakPolarHBondContact CB-OE1 3.33Å; N154-E348 WeakPolarHBondContact CA-OE1 3.44Å; N154-E348 WeakPolarHBondContact CB-OE1 3.44Å; N154-E348 PolarHBondContact N-OE1 3.05Å; N154-E348 PolarHBondContact N-OE2 2.86Å; N154-E348 PolarHBondContact ND2-OE2 2.9Å; F155-E348 PolarHBondContact N-OE1 3.38Å; F155-E348 VanDerWaalsContact N-OE1 3.15Å; H197-E348 IonicContact CD2-OE2 3.92Å; H197-E348 IonicContact CE1-OE2 2.9Å; H197-E348 IonicContact NE2-OE2 3.74Å; H197-E348 PolarHBondContact NE2-OE2 2.82Å; G345-E348 WeakPolarHBondContact O-CB 3.48Å; G345-E348 PolarHBondContact O-N 2.93Å; P346-E348 PolarHBondContact O-N 3.23Å; E348-R394 PolarHBondContact O-NH2 3.49Å
349I95.5Very high94.4Very high0 Ų030.4 Ų30.40%016%0.162CC..Hα-helixtrans-87.1-52.1177.6-58.3172.9000109.3F324 V328 L329 M332 P346 F395F324-I349 HydrophobicContact CD1-CD1 4.16Å; F324-I349 HydrophobicContact CD2-CD1 4.18Å; F324-I349 HydrophobicContact CD2-CG1 4.36Å; F324-I349 HydrophobicContact CE1-CD1 3.95Å; F324-I349 HydrophobicContact CE2-CD1 3.95Å; F324-I349 HydrophobicContact CE2-CG1 3.81Å; F324-I349 HydrophobicContact CG-CD1 4.28Å; F324-I349 HydrophobicContact CZ-CD1 3.84Å; F324-I349 HydrophobicContact CZ-CG1 3.9Å; F324-I349 VanDerWaalsContact O-CD1 3.31Å; F324-I349 WeakPolarHBondContact O-CD1 3.43Å; V328-I349 HydrophobicContact CB-CD1 4.29Å; V328-I349 HydrophobicContact CG1-CB 4.36Å; V328-I349 HydrophobicContact CG1-CD1 4.42Å; V328-I349 HydrophobicContact CG1-CG2 3.86Å; L329-I349 HydrophobicContact CD2-CB 4.49Å; L329-I349 HydrophobicContact CD2-CD1 4.02Å; L329-I349 HydrophobicContact CD2-CG1 4.23Å; L329-I349 HydrophobicContact CD2-CG2 3.47Å; L329-I349 VanDerWaalsContact CD2-CG2 3.47Å; L329-I349 HydrophobicContact CG-CD1 4.14Å; M332-I349 HydrophobicContact CE-CG2 4.41Å; M332-I349 HydrophobicContact SD-CG2 3.6Å; P346-I349 PolarHBondContact O-N 2.85Å; P346-I349 VanDerWaalsContact O-N 3.14Å; I349-F395 HydrophobicContact CB-CE2 4.49Å; I349-F395 HydrophobicContact CB-CZ 4.47Å; I349-F395 HydrophobicContact CG1-CZ 4.16Å; I349-F395 HydrophobicContact CG2-CE2 4.04Å; I349-F395 HydrophobicContact CG2-CZ 4.48Å
350I96.6Very high94.3Very high5 Ų532.6 Ų32.63%0.02618%0.176CC..  trans-93.5124.7-172.5-62.1168000111.4V328 M332 V338 P346 D355 G356 L358V328-I350 HydrophobicContact CG1-CD1 3.63Å; V328-I350 HydrophobicContact CG1-CG1 3.79Å; M332-I350 HydrophobicContact SD-CG1 4Å; V338-I350 HydrophobicContact CB-CD1 4.27Å; V338-I350 HydrophobicContact CG1-CD1 4.18Å; P346-I350 PolarHBondContact O-N 2.67Å; I350-D355 WeakPolarHBondContact CA-OD1 3.3Å; I350-G356 VanDerWaalsContact CG2-CA 3.5Å; I350-L358 HydrophobicContact CB-CD1 4.41Å; I350-L358 HydrophobicContact CB-CD2 3.96Å; I350-L358 HydrophobicContact CB-CG 4.18Å; I350-L358 HydrophobicContact CD1-CD2 3.9Å; I350-L358 HydrophobicContact CG2-CD1 4.29Å; I350-L358 HydrophobicContact CG2-CD2 3.97Å; I350-L358 HydrophobicContact CG2-CG 3.79Å
351S96.2Very high94.1Very high50 Ų5034.2 Ų34.235%0.3519%0.19SC..  trans-85.1105158.9-59.60000109.7E353 K354 D355S351-E353 PolarHBondContact O-N 2.8Å; S351-K354 WeakPolarHBondContact O-CB 3.45Å; S351-K354 PolarHBondContact O-N 3.43Å; S351-D355 WeakPolarHBondContact CA-OD1 3.37Å; S351-D355 PolarHBondContact N-OD1 2.89Å; S351-D355 PolarHBondContact O-N 3.31Å; S351-D355 VanDerWaalsContact O-N 3.16Å; S351-D355 VanDerWaalsContact O-OD1 3.09Å
352N96.8Very high94.3Very high79 Ų7939.8 Ų39.842%0.42221%0.214SC..BIsolated β-bridgetrans-49.1135.2-175.6-170.134.5000113K354 L358N352-K354 PolarHBondContact O-N 2.77Å; N352-K354 VanDerWaalsContact O-N 3.09Å; N352-L358 HydrophobicContact CB-CB 4.05Å; N352-L358 HydrophobicContact CB-CD1 4.14Å; N352-L358 HydrophobicContact CB-CG 4.16Å; N352-L358 PolarHBondContact OD1-N 3.37Å; N352-L358 PolarHBondContact OD1-O 2.75Å
353E95Very high94.5Very high73 Ų7337.6 Ų37.634%0.34120%0.201SC..THydrogen-bonded Turntrans62.74.3-179.2-57.9-66.515400115.1S351 G356 R372 W379S351-E353 PolarHBondContact O-N 2.8Å; E353-G356 PolarHBondContact N-O 3.46Å; E353-R372 IonicContact OE1-CZ 2.68Å; E353-R372 IonicContact OE1-NH1 3.51Å; E353-R372 PolarHBondContact OE1-NH1 2.95Å; E353-R372 IonicContact OE1-NH2 3.47Å; E353-R372 IonicContact OE2-CZ 3.71Å; E353-R372 IonicContact OE2-NH1 3.14Å; E353-R372 PolarHBondContact OE2-NH1 3.29Å; E353-R372 IonicContact OE2-NH2 2.9Å; E353-R372 PolarHBondContact OE2-NH2 3.4Å; E353-W379 WeakPolarHBondContact OE2-CZ2 3.33Å; E353-W379 PolarHBondContact OE2-NE1 3.04Å
354K96.5Very high95Very high125 Ų12537.3 Ų37.354%0.54320%0.199SC..THydrogen-bonded Turntrans-111-49.5178.1-179.6-176.7175.7-172.80112.4S351 N352 K386S351-K354 WeakPolarHBondContact O-CB 3.45Å; S351-K354 PolarHBondContact O-N 3.43Å; N352-K354 PolarHBondContact O-N 2.77Å; N352-K354 VanDerWaalsContact O-N 3.09Å; K354-K386 VanDerWaalsContact O-CB 3.26Å; K354-K386 WeakPolarHBondContact O-CB 3.35Å
355D96.4Very high95.6Very high1 Ų142.4 Ų42.41%0.00522%0.216CC..THydrogen-bonded Turntrans-132.86.8-178.361.712.8000113.4M332 I350 S351 K386 A387 T390M332-D355 HydrophobicContact CE-CB 4.08Å; I350-D355 WeakPolarHBondContact CA-OD1 3.3Å; S351-D355 WeakPolarHBondContact CA-OD1 3.37Å; S351-D355 PolarHBondContact N-OD1 2.89Å; S351-D355 PolarHBondContact O-N 3.31Å; S351-D355 VanDerWaalsContact O-N 3.16Å; S351-D355 VanDerWaalsContact O-OD1 3.09Å; D355-K386 HydrophobicContact CB-CB 3.9Å; D355-A387 WeakPolarHBondContact O-CB 3.35Å; D355-T390 PolarHBondContact OD2-OG1 2.99Å
356G97.2Very high96.2Very high0 Ų042.4 Ų42.40%022%0.216CC..BIsolated β-bridgetrans-17917917700000111.1I350 E353I350-G356 VanDerWaalsContact CG2-CA 3.5Å; E353-G356 PolarHBondContact N-O 3.46Å
357I97.7Very high96.4Very high3 Ų342.6 Ų42.62%0.01522%0.218CC..EExtended strand (participates in β ladder)trans-119.3113.8-177.2-53.8159000108.2V338 I339 S340 A369 V373 W379 L383V338-I357 PolarHBondContact O-N 2.94Å; I339-I357 WeakPolarHBondContact CA-O 3.18Å; I339-I357 HydrophobicContact CD1-CD1 4.42Å; I339-I357 HydrophobicContact CG1-CB 4.22Å; I339-I357 HydrophobicContact CG1-CD1 3.78Å; S340-I357 PolarHBondContact N-O 2.83Å; I357-A369 HydrophobicContact CG2-CB 3.85Å; I357-V373 HydrophobicContact CD1-CG2 3.68Å; I357-W379 HydrophobicContact CD1-CH2 3.5Å; I357-W379 HydrophobicContact CD1-CZ2 4.24Å; I357-W379 HydrophobicContact CD1-CZ3 4.36Å; I357-W379 HydrophobicContact CG1-CH2 3.75Å; I357-W379 HydrophobicContact CG1-CZ2 3.97Å; I357-L383 HydrophobicContact CD1-CD1 4.49Å; I357-L383 HydrophobicContact CG1-CD1 3.95Å
358L97.4Very high96.6Very high21 Ų2143.1 Ų43.111%0.1122%0.221CC..EExtended strand (participates in β ladder)trans-101.3125.7172-61.1-178.1000109.3S340 T342 V347 I350 N352S340-L358 WeakPolarHBondContact O-CA 3.31Å; T342-L358 HydrophobicContact CG2-CB 3.91Å; V347-L358 HydrophobicContact CB-CD1 4.24Å; V347-L358 HydrophobicContact CG1-CD1 4.17Å; I350-L358 HydrophobicContact CB-CD1 4.41Å; I350-L358 HydrophobicContact CB-CD2 3.96Å; I350-L358 HydrophobicContact CB-CG 4.18Å; I350-L358 HydrophobicContact CD1-CD2 3.9Å; I350-L358 HydrophobicContact CG2-CD1 4.29Å; I350-L358 HydrophobicContact CG2-CD2 3.97Å; I350-L358 HydrophobicContact CG2-CG 3.79Å; N352-L358 HydrophobicContact CB-CB 4.05Å; N352-L358 HydrophobicContact CB-CD1 4.14Å; N352-L358 HydrophobicContact CB-CG 4.16Å; N352-L358 PolarHBondContact OD1-N 3.37Å; N352-L358 PolarHBondContact OD1-O 2.75Å
359T96.7Very high96.9Very high21 Ų2141.9 Ų41.913%0.12922%0.216CC..EExtended strand (participates in β ladder)trans-145.3157.1-178.9-154.20000111.3I339 S340 S341 T342 A361 Y365 F366I339-T359 HydrophobicContact CG2-CG2 4.28Å; S340-T359 PolarHBondContact O-N 3.43Å; S341-T359 CarbonylContact C-O 3.6Å; S341-T359 VanDerWaalsContact CA-O 3.24Å; S341-T359 WeakPolarHBondContact CA-O 3.47Å; T342-T359 PolarHBondContact N-O 2.87Å; T342-T359 VanDerWaalsContact N-O 3.17Å; T359-A361 PolarHBondContact O-N 3.13Å; T359-Y365 WeakPolarHBondContact OG1-CB 3.28Å; T359-F366 HydrophobicContact CG2-CD2 3.38Å; T359-F366 HydrophobicContact CG2-CE2 3.55Å; T359-F366 HydrophobicContact CG2-CG 4.22Å
360P96Very high97Very high47 Ų4741.9 Ų41.931%0.30522%0.216SC..  trans-54.9143176.9-26.735.5000111.9K362 Y365 F366P360-K362 PolarHBondContact O-N 3.11Å; P360-Y365 HydrophobicContact CB-CD2 3.81Å; P360-Y365 HydrophobicContact CB-CE2 4.12Å; P360-Y365 HydrophobicContact CB-CG 4.12Å; P360-Y365 HydrophobicContact CG-CD1 4.16Å; P360-Y365 HydrophobicContact CG-CD2 4.11Å; P360-Y365 HydrophobicContact CG-CE1 4.25Å; P360-Y365 HydrophobicContact CG-CE2 4.22Å; P360-Y365 HydrophobicContact CG-CG 4.08Å; P360-F366 WeakPolarHBondContact O-CD2 3.42Å
361A94.5Very high97Very high34 Ų3442.3 Ų42.328%0.28122%0.22SC..SBendtrans-73.656.5-177.700000113L239 T359L239-A361 HydrophobicContact CD2-CB 4.22Å; T359-A361 PolarHBondContact O-N 3.13Å
362K97.1Very high97Very high117 Ų11743.9 Ų43.951%0.50922%0.218SC..SBendtrans-129.9149.9175.5-46.3179.3175.1175.60111.2P360 E364 Y365 F366P360-K362 PolarHBondContact O-N 3.11Å; K362-E364 VanDerWaalsContact C-N 3.26Å; K362-E364 WeakPolarHBondContact CB-OE2 3.39Å; K362-E364 PolarHBondContact O-N 3.35Å; K362-E364 VanDerWaalsContact O-N 3.16Å; K362-Y365 HydrophobicContact CB-CD2 4.03Å; K362-Y365 HydrophobicContact CD-CD2 4.33Å; K362-Y365 HydrophobicContact CD-CE2 4.14Å; K362-Y365 HydrophobicContact CG-CD2 4.42Å; K362-Y365 PolarHBondContact O-N 3.48Å; K362-F366 PolarHBondContact O-N 3.3Å
363P98.1Very high97Very high23 Ų2340.5 Ų40.515%0.14920%0.2CC..Hα-helixtrans-53.6-39.5-174.1-31.938.9000115.1L239 K242 S243 K246 S367L239-P363 HydrophobicContact CD1-CG 4.01Å; K242-P363 HydrophobicContact CB-CB 3.77Å; K242-P363 HydrophobicContact CB-CG 3.55Å; K242-P363 HydrophobicContact CD-CG 4.05Å; K242-P363 HydrophobicContact CG-CG 4.38Å; S243-P363 VanDerWaalsContact OG-CA 3.29Å; S243-P363 WeakPolarHBondContact OG-CA 3.44Å; S243-P363 PolarHBondContact OG-O 3.34Å; K246-P363 HydrophobicContact CD-CB 3.65Å; P363-S367 WeakPolarHBondContact O-CB 3.49Å; P363-S367 PolarHBondContact O-N 3Å; P363-S367 PolarHBondContact O-OG 3.37Å
364E97.9Very high97Very high83 Ų8338.7 Ų38.739%0.38819%0.192SC..Hα-helixtrans-63.4-47.7-176.5-57.667.2-144.200111K246 K362 S367 V368K246-E364 HydrophobicContact CD-CG 4.26Å; K246-E364 WeakPolarHBondContact CE-OE1 3.35Å; K246-E364 IonicContact NZ-OE1 2.95Å; K246-E364 PolarHBondContact NZ-OE1 3.05Å; K362-E364 VanDerWaalsContact C-N 3.26Å; K362-E364 WeakPolarHBondContact CB-OE2 3.39Å; K362-E364 PolarHBondContact O-N 3.35Å; K362-E364 VanDerWaalsContact O-N 3.16Å; E364-S367 PolarHBondContact O-N 2.95Å; E364-S367 PolarHBondContact O-OG 3.15Å; E364-V368 WeakPolarHBondContact O-CG2 3.44Å; E364-V368 PolarHBondContact O-N 3.16Å; E364-V368 VanDerWaalsContact O-N 3.1Å
365Y98Very high96.7Very high116 Ų11638.4 Ų38.446%0.45520%0.196SC..Hα-helixtrans-68-43.9-178.2-71-77.3000112.2T359 P360 K362 S367 V368 A369T359-Y365 WeakPolarHBondContact OG1-CB 3.28Å; P360-Y365 HydrophobicContact CB-CD2 3.81Å; P360-Y365 HydrophobicContact CB-CE2 4.12Å; P360-Y365 HydrophobicContact CB-CG 4.12Å; P360-Y365 HydrophobicContact CG-CD1 4.16Å; P360-Y365 HydrophobicContact CG-CD2 4.11Å; P360-Y365 HydrophobicContact CG-CE1 4.25Å; P360-Y365 HydrophobicContact CG-CE2 4.22Å; P360-Y365 HydrophobicContact CG-CG 4.08Å; K362-Y365 HydrophobicContact CB-CD2 4.03Å; K362-Y365 HydrophobicContact CD-CD2 4.33Å; K362-Y365 HydrophobicContact CD-CE2 4.14Å; K362-Y365 HydrophobicContact CG-CD2 4.42Å; K362-Y365 PolarHBondContact O-N 3.48Å; Y365-S367 VanDerWaalsContact C-N 3.34Å; Y365-S367 PolarHBondContact O-N 3.35Å; Y365-V368 PolarHBondContact O-N 3.39Å; Y365-A369 PolarHBondContact O-N 3.17Å
366F98.2Very high96.1Very high0 Ų041.9 Ų41.90%021%0.214CC..Hα-helixtrans-62.1-41.1174.5-91.2-118.6000111.2L239 S243 T318 I339 T359 P360 K362 V368 A369 M370L239-F366 HydrophobicContact CD2-CD1 4.43Å; L239-F366 HydrophobicContact CD2-CD2 4.3Å; L239-F366 HydrophobicContact CD2-CE1 4.15Å; L239-F366 HydrophobicContact CD2-CE2 4.03Å; L239-F366 HydrophobicContact CD2-CZ 3.95Å; L239-F366 HydrophobicContact CG-CD1 4.45Å; S243-F366 WeakPolarHBondContact OG-CB 3.41Å; T318-F366 HydrophobicContact CG2-CE1 4.29Å; I339-F366 HydrophobicContact CG2-CD1 3.74Å; I339-F366 HydrophobicContact CG2-CE1 3.83Å; I339-F366 HydrophobicContact CG2-CG 4.09Å; I339-F366 HydrophobicContact CG2-CZ 4.25Å; T359-F366 HydrophobicContact CG2-CD2 3.38Å; T359-F366 HydrophobicContact CG2-CE2 3.55Å; T359-F366 HydrophobicContact CG2-CG 4.22Å; P360-F366 WeakPolarHBondContact O-CD2 3.42Å; K362-F366 PolarHBondContact O-N 3.3Å; F366-V368 VanDerWaalsContact C-N 3.34Å; F366-V368 PolarHBondContact O-N 3.28Å; F366-A369 PolarHBondContact O-N 3.39Å; F366-M370 WeakPolarHBondContact O-CB 3.42Å; F366-M370 WeakPolarHBondContact O-CG 3.27Å; F366-M370 PolarHBondContact O-N 2.87Å
367S98.2Very high95.6Very high5 Ų545.9 Ų45.94%0.03524%0.242CC..Hα-helixtrans-63.2-36.6177.469.10000113.2S243 P363 E364 Y365 M370 S371S243-S367 VanDerWaalsContact O-CB 3.31Å; S243-S367 WeakPolarHBondContact O-CB 3.4Å; P363-S367 WeakPolarHBondContact O-CB 3.49Å; P363-S367 PolarHBondContact O-N 3Å; P363-S367 PolarHBondContact O-OG 3.37Å; E364-S367 PolarHBondContact O-N 2.95Å; E364-S367 PolarHBondContact O-OG 3.15Å; Y365-S367 VanDerWaalsContact C-N 3.34Å; Y365-S367 PolarHBondContact O-N 3.35Å; S367-M370 PolarHBondContact O-N 3.47Å; S367-S371 PolarHBondContact O-N 2.93Å
368V97.7Very high95.4Very high73 Ų7352 Ų5244%0.44227%0.274SS..Hα-helixtrans-69.7-40.3174.3172.10000111.4L250 E364 Y365 F366 M370 S371 R372L250-V368 HydrophobicContact CD1-CG2 4.09Å; E364-V368 WeakPolarHBondContact O-CG2 3.44Å; E364-V368 PolarHBondContact O-N 3.16Å; E364-V368 VanDerWaalsContact O-N 3.1Å; Y365-V368 PolarHBondContact O-N 3.39Å; F366-V368 VanDerWaalsContact C-N 3.34Å; F366-V368 PolarHBondContact O-N 3.28Å; V368-M370 VanDerWaalsContact C-N 3.32Å; V368-M370 PolarHBondContact O-N 2.83Å; V368-S371 PolarHBondContact O-N 3.11Å; V368-S371 PolarHBondContact O-OG 3.16Å; V368-R372 WeakPolarHBondContact O-CG 3.27Å; V368-R372 PolarHBondContact O-N 2.87Å
369A97.5Very high95.2Very high4 Ų453 Ų533%0.03328%0.276CS..Hα-helixtrans-61.4-42.617300000111.5I339 I357 Y365 F366 R372 V373I339-A369 HydrophobicContact CD1-CB 3.85Å; I339-A369 HydrophobicContact CG1-CB 4.11Å; I339-A369 HydrophobicContact CG2-CB 3.83Å; I357-A369 HydrophobicContact CG2-CB 3.85Å; Y365-A369 PolarHBondContact O-N 3.17Å; F366-A369 PolarHBondContact O-N 3.39Å; A369-R372 PolarHBondContact O-N 3.45Å; A369-V373 WeakPolarHBondContact O-CG2 3.22Å; A369-V373 PolarHBondContact O-N 2.95Å
370M98Very high95.1Very high0 Ų052.6 Ų52.60%027%0.273CS..Hα-helixtrans-61.6-42.8175.4-68.3166.973.600111.8F225 F244 L247 L316 I339 F366 S367 V368 V373 L374F225-M370 HydrophobicContact CB-CE 4.27Å; F225-M370 HydrophobicContact CD1-CE 4.02Å; F225-M370 HydrophobicContact CD1-CG 4.13Å; F225-M370 HydrophobicContact CD2-CE 3.68Å; F225-M370 HydrophobicContact CE1-CB 3.86Å; F225-M370 HydrophobicContact CE1-CE 4.28Å; F225-M370 HydrophobicContact CE1-CG 3.75Å; F225-M370 HydrophobicContact CE2-CB 4.33Å; F225-M370 HydrophobicContact CE2-CE 3.97Å; F225-M370 HydrophobicContact CG-CE 3.71Å; F225-M370 HydrophobicContact CZ-CB 3.69Å; F225-M370 HydrophobicContact CZ-CE 4.27Å; F225-M370 HydrophobicContact CZ-CG 4.07Å; F244-M370 HydrophobicContact CB-CE 4.09Å; F244-M370 HydrophobicContact CD2-CE 3.73Å; F244-M370 HydrophobicContact CG-CE 4.41Å; L247-M370 HydrophobicContact CD1-CB 4.02Å; L247-M370 HydrophobicContact CD2-CB 4.03Å; L247-M370 HydrophobicContact CD2-CE 3.72Å; L316-M370 HydrophobicContact CD1-CE 3.97Å; L316-M370 HydrophobicContact CD1-SD 4.04Å; L316-M370 HydrophobicContact CD2-CG 3.87Å; L316-M370 HydrophobicContact CD2-SD 4.1Å; I339-M370 HydrophobicContact CD1-CB 4.43Å; I339-M370 HydrophobicContact CD1-CG 3.75Å; F366-M370 WeakPolarHBondContact O-CB 3.42Å; F366-M370 WeakPolarHBondContact O-CG 3.27Å; F366-M370 PolarHBondContact O-N 2.87Å; S367-M370 PolarHBondContact O-N 3.47Å; V368-M370 VanDerWaalsContact C-N 3.32Å; V368-M370 PolarHBondContact O-N 2.83Å; M370-V373 PolarHBondContact O-N 2.98Å; M370-L374 WeakPolarHBondContact O-CG 3.01Å; M370-L374 PolarHBondContact O-N 3.17Å
371S96.9Very high95Very high14 Ų1454.1 Ų54.110%0.09828%0.279CS..Hα-helixtrans-66.1-38.7178.573.40000112.3S367 V368 V373 L374 I375S367-S371 PolarHBondContact O-N 2.93Å; V368-S371 PolarHBondContact O-N 3.11Å; V368-S371 PolarHBondContact O-OG 3.16Å; S371-V373 PolarHBondContact O-N 2.99Å; S371-L374 WeakPolarHBondContact O-CB 3.28Å; S371-L374 PolarHBondContact O-N 3.23Å; S371-I375 WeakPolarHBondContact O-CD1 3.38Å; S371-I375 WeakPolarHBondContact O-CG1 3.14Å; S371-I375 PolarHBondContact O-N 3.18Å
372R95.6Very high95.1Very high83 Ų8356.3 Ų56.331%0.31329%0.289SS..Hα-helixtrans-59.3-44.1175-73.317664.6-156.3-2.8112.3E353 V368 A369 L374 I375 D376 W379E353-R372 IonicContact OE1-CZ 2.68Å; E353-R372 IonicContact OE1-NH1 3.51Å; E353-R372 PolarHBondContact OE1-NH1 2.95Å; E353-R372 IonicContact OE1-NH2 3.47Å; E353-R372 IonicContact OE2-CZ 3.71Å; E353-R372 IonicContact OE2-NH1 3.14Å; E353-R372 PolarHBondContact OE2-NH1 3.29Å; E353-R372 IonicContact OE2-NH2 2.9Å; E353-R372 PolarHBondContact OE2-NH2 3.4Å; V368-R372 WeakPolarHBondContact O-CG 3.27Å; V368-R372 PolarHBondContact O-N 2.87Å; A369-R372 PolarHBondContact O-N 3.45Å; R372-L374 PolarHBondContact O-N 2.9Å; R372-I375 PolarHBondContact O-N 3.36Å; R372-D376 PolarHBondContact O-N 2.83Å; R372-W379 HydrophobicContact CB-CZ3 4.18Å
373V96.3Very high95Very high7 Ų750.9 Ų50.94%0.04227%0.265CS..Hα-helixtrans-57.8-29.6175.7167.20000112F225 I313 A314 P337 I339 I357 A369 M370 S371 L380F225-V373 HydrophobicContact CE1-CG1 4.41Å; I313-V373 HydrophobicContact CG2-CG1 3.44Å; I313-V373 VanDerWaalsContact CG2-CG1 3.44Å; A314-V373 HydrophobicContact CB-CG1 4.07Å; P337-V373 HydrophobicContact CB-CG2 4.22Å; P337-V373 HydrophobicContact CG-CG1 4.39Å; I339-V373 HydrophobicContact CD1-CG2 4.31Å; I357-V373 HydrophobicContact CD1-CG2 3.68Å; A369-V373 WeakPolarHBondContact O-CG2 3.22Å; A369-V373 PolarHBondContact O-N 2.95Å; M370-V373 PolarHBondContact O-N 2.98Å; S371-V373 PolarHBondContact O-N 2.99Å; V373-L380 HydrophobicContact CB-CD1 4.23Å; V373-L380 HydrophobicContact CG1-CD1 4.03Å; V373-L380 HydrophobicContact CG1-CD2 4.16Å; V373-L380 HydrophobicContact CG2-CD1 3.92Å; V373-L380 WeakPolarHBondContact O-CD2 3.2Å
374L95Very high94.9Very high35 Ų3552.6 Ų52.618%0.18327%0.271CS..THydrogen-bonded Turntrans-86.2-6179.5-64.6173.3000114.6F225 L247 I251 K255 L259 I313 M370 S371 R372F225-L374 HydrophobicContact CE2-CD1 4.09Å; F225-L374 HydrophobicContact CE2-CD2 4.25Å; F225-L374 HydrophobicContact CE2-CG 4.27Å; F225-L374 HydrophobicContact CZ-CD1 4.26Å; F225-L374 HydrophobicContact CZ-CD2 4.25Å; F225-L374 HydrophobicContact CZ-CG 4.06Å; L247-L374 HydrophobicContact CD1-CD1 4.4Å; L247-L374 HydrophobicContact CD2-CD1 4.12Å; I251-L374 HydrophobicContact CD1-CD1 4.23Å; I251-L374 HydrophobicContact CG2-CD1 4.02Å; K255-L374 PolarHBondContact NZ-O 3.47Å; L259-L374 HydrophobicContact CD1-CD2 4.41Å; L259-L374 HydrophobicContact CD2-CD1 4.18Å; I313-L374 HydrophobicContact CD1-CD2 3.89Å; I313-L374 HydrophobicContact CG2-CD2 4.1Å; M370-L374 WeakPolarHBondContact O-CG 3.01Å; M370-L374 PolarHBondContact O-N 3.17Å; S371-L374 WeakPolarHBondContact O-CB 3.28Å; S371-L374 PolarHBondContact O-N 3.23Å; R372-L374 PolarHBondContact O-N 2.9Å
375I90.7Very high94.9Very high120 Ų12052.5 Ų52.562%0.61528%0.275SS*.THydrogen-bonded Turntrans-119.5-48.4-170.4-64168.2000112.1S371 R372 S377S371-I375 WeakPolarHBondContact O-CD1 3.38Å; S371-I375 WeakPolarHBondContact O-CG1 3.14Å; S371-I375 PolarHBondContact O-N 3.18Å; R372-I375 PolarHBondContact O-N 3.36Å; I375-S377 PolarHBondContact O-N 2.82Å
376D83.3Confident94.9Very high73 Ų7350.1 Ų50.139%0.3927%0.267SS..  trans-97.991.5-170.7-171.8-18.4000112R372 L378 W379 L380R372-D376 PolarHBondContact O-N 2.83Å; D376-L378 PolarHBondContact OD1-N 3.27Å; D376-W379 HydrophobicContact CB-CB 4.38Å; D376-W379 HydrophobicContact CB-CE3 4.21Å; D376-W379 VanDerWaalsContact CG-CB 3.42Å; D376-W379 WeakPolarHBondContact OD1-CB 3.41Å; D376-W379 PolarHBondContact OD1-N 3.16Å; D376-W379 VanDerWaalsContact OD1-N 3.12Å; D376-W379 WeakPolarHBondContact OD2-CB 3.41Å; D376-L380 WeakPolarHBondContact O-CB 3.41Å; D376-L380 PolarHBondContact O-N 3.16Å
377S87.7Confident94.9Very high84 Ų8450.1 Ų50.159%0.58727%0.267SS*.Hα-helixtrans-69.4-38.2-174.959.40000113.9I375 L380 D381I375-S377 PolarHBondContact O-N 2.82Å; S377-L380 PolarHBondContact O-N 3.42Å; S377-D381 VanDerWaalsContact O-CG 3.22Å; S377-D381 PolarHBondContact O-N 3.44Å
378L91.9Very high94.8Very high131 Ų13154.2 Ų54.269%0.68629%0.285SS*.Hα-helixtrans-73.2-44.9-173.5-177.167.2000111.8D376 L380 D381 T382D376-L378 PolarHBondContact OD1-N 3.27Å; L378-L380 VanDerWaalsContact C-N 3.26Å; L378-L380 PolarHBondContact O-N 3.15Å; L378-D381 PolarHBondContact O-N 2.92Å; L378-T382 PolarHBondContact O-N 2.88Å; L378-T382 PolarHBondContact O-OG1 3.37Å; L378-T382 VanDerWaalsContact O-OG1 3.1Å
379W93.8Very high94.8Very high42 Ų4253.4 Ų53.416%0.15928%0.276CS..Hα-helixtrans-60.2-42.9172.6165.774.8000110.4E353 I357 R372 D376 D381 T382 L383E353-W379 WeakPolarHBondContact OE2-CZ2 3.33Å; E353-W379 PolarHBondContact OE2-NE1 3.04Å; I357-W379 HydrophobicContact CD1-CH2 3.5Å; I357-W379 HydrophobicContact CD1-CZ2 4.24Å; I357-W379 HydrophobicContact CD1-CZ3 4.36Å; I357-W379 HydrophobicContact CG1-CH2 3.75Å; I357-W379 HydrophobicContact CG1-CZ2 3.97Å; R372-W379 HydrophobicContact CB-CZ3 4.18Å; D376-W379 HydrophobicContact CB-CB 4.38Å; D376-W379 HydrophobicContact CB-CE3 4.21Å; D376-W379 VanDerWaalsContact CG-CB 3.42Å; D376-W379 WeakPolarHBondContact OD1-CB 3.41Å; D376-W379 PolarHBondContact OD1-N 3.16Å; D376-W379 VanDerWaalsContact OD1-N 3.12Å; D376-W379 WeakPolarHBondContact OD2-CB 3.41Å; W379-D381 PolarHBondContact O-N 2.94Å; W379-T382 WeakPolarHBondContact O-CB 3.29Å; W379-T382 PolarHBondContact O-N 3.24Å; W379-L383 HydrophobicContact CH2-CD1 4.12Å; W379-L383 HydrophobicContact CZ2-CD1 3.63Å; W379-L383 WeakPolarHBondContact O-CB 3.23Å; W379-L383 PolarHBondContact O-N 2.99Å
380L94.1Very high94.7Very high13 Ų1354.1 Ų54.17%0.06828%0.28CS..Hα-helixtrans-61.7-45-179.8-164.670.3000112.1P337 V373 D376 S377 L378 T382 L383 K384P337-L380 HydrophobicContact CB-CD1 3.86Å; P337-L380 HydrophobicContact CG-CD1 3.3Å; P337-L380 HydrophobicContact CG-CD2 4.34Å; P337-L380 HydrophobicContact CG-CG 3.91Å; V373-L380 HydrophobicContact CB-CD1 4.23Å; V373-L380 HydrophobicContact CG1-CD1 4.03Å; V373-L380 HydrophobicContact CG1-CD2 4.16Å; V373-L380 HydrophobicContact CG2-CD1 3.92Å; V373-L380 WeakPolarHBondContact O-CD2 3.2Å; D376-L380 WeakPolarHBondContact O-CB 3.41Å; D376-L380 PolarHBondContact O-N 3.16Å; S377-L380 PolarHBondContact O-N 3.42Å; L378-L380 VanDerWaalsContact C-N 3.26Å; L378-L380 PolarHBondContact O-N 3.15Å; L380-T382 VanDerWaalsContact C-N 3.31Å; L380-T382 PolarHBondContact O-N 3.32Å; L380-L383 WeakPolarHBondContact O-CB 3.46Å; L380-L383 PolarHBondContact O-N 3.16Å; L380-K384 VanDerWaalsContact O-CG 3.26Å; L380-K384 WeakPolarHBondContact O-CG 3.35Å; L380-K384 PolarHBondContact O-N 3.23Å
381D94.7Very high94.7Very high80 Ų8054.1 Ų54.143%0.42828%0.28SS..Hα-helixtrans-65.2-37.1-180-69.6-20.4000112S377 L378 W379 K384 V385S377-D381 VanDerWaalsContact O-CG 3.22Å; S377-D381 PolarHBondContact O-N 3.44Å; L378-D381 PolarHBondContact O-N 2.92Å; W379-D381 PolarHBondContact O-N 2.94Å; D381-K384 PolarHBondContact O-N 3.4Å; D381-K384 IonicContact OD1-NZ 3.05Å; D381-K384 PolarHBondContact OD1-NZ 3.21Å; D381-V385 WeakPolarHBondContact O-CG2 3.47Å; D381-V385 PolarHBondContact O-N 3.22Å; D381-V385 VanDerWaalsContact O-N 3.14Å
382T95.8Very high94.6Very high80 Ų8058.7 Ų58.749%0.49130%0.3SS..Hα-helixtrans-61.2-46.8172-57.40000111.2L378 W379 L380 K384 V385 K386L378-T382 PolarHBondContact O-N 2.88Å; L378-T382 PolarHBondContact O-OG1 3.37Å; L378-T382 VanDerWaalsContact O-OG1 3.1Å; W379-T382 WeakPolarHBondContact O-CB 3.29Å; W379-T382 PolarHBondContact O-N 3.24Å; L380-T382 VanDerWaalsContact C-N 3.31Å; L380-T382 PolarHBondContact O-N 3.32Å; T382-K384 PolarHBondContact O-N 3.25Å; T382-V385 PolarHBondContact O-N 2.94Å; T382-K386 WeakPolarHBondContact O-CG 3.49Å; T382-K386 PolarHBondContact O-N 2.85Å
383L95.7Very high94.7Very high2 Ų261.3 Ų61.31%0.0131%0.313CS..Hα-helixtrans-59.7-45.9179.3-173.2159.8000111.1P337 I357 W379 L380 V385 K386 A387P337-L383 HydrophobicContact CB-CD2 4.05Å; I357-L383 HydrophobicContact CD1-CD1 4.49Å; I357-L383 HydrophobicContact CG1-CD1 3.95Å; W379-L383 HydrophobicContact CH2-CD1 4.12Å; W379-L383 HydrophobicContact CZ2-CD1 3.63Å; W379-L383 WeakPolarHBondContact O-CB 3.23Å; W379-L383 PolarHBondContact O-N 2.99Å; L380-L383 WeakPolarHBondContact O-CB 3.46Å; L380-L383 PolarHBondContact O-N 3.16Å; L383-V385 PolarHBondContact O-N 3.49Å; L383-K386 PolarHBondContact O-N 3.3Å; L383-A387 WeakPolarHBondContact O-CB 3.31Å; L383-A387 PolarHBondContact O-N 3.05Å
384K96.7Very high94.6Very high60 Ų6065 Ų6526%0.26133%0.327SS..Hα-helixtrans-60.7-43.4178.6-66.8174.4-172147.30112.7G335 P337 L380 D381 T382 A387 K388G335-K384 WeakPolarHBondContact O-CB 3.47Å; G335-K384 WeakPolarHBondContact O-CD 3.31Å; G335-K384 WeakPolarHBondContact O-CG 3.48Å; P337-K384 HydrophobicContact CG-CG 4.22Å; L380-K384 VanDerWaalsContact O-CG 3.26Å; L380-K384 WeakPolarHBondContact O-CG 3.35Å; L380-K384 PolarHBondContact O-N 3.23Å; D381-K384 PolarHBondContact O-N 3.4Å; D381-K384 IonicContact OD1-NZ 3.05Å; D381-K384 PolarHBondContact OD1-NZ 3.21Å; T382-K384 PolarHBondContact O-N 3.25Å; K384-A387 WeakPolarHBondContact O-CB 3.42Å; K384-A387 PolarHBondContact O-N 3.36Å; K384-K388 PolarHBondContact O-N 3.44Å
385V97.3Very high94.7Very high80 Ų8063.4 Ų63.449%0.48532%0.318SS..Hα-helixtrans-63.4-46.1177.9171.30000110.1D381 T382 L383 A387 K388 E389D381-V385 WeakPolarHBondContact O-CG2 3.47Å; D381-V385 PolarHBondContact O-N 3.22Å; D381-V385 VanDerWaalsContact O-N 3.14Å; T382-V385 PolarHBondContact O-N 2.94Å; L383-V385 PolarHBondContact O-N 3.49Å; V385-A387 VanDerWaalsContact C-N 3.34Å; V385-A387 PolarHBondContact O-N 2.82Å; V385-K388 PolarHBondContact O-N 2.9Å; V385-E389 PolarHBondContact O-N 3.4Å
386K97.7Very high95Very high66 Ų6660 Ų6029%0.28730%0.3SS..Hα-helixtrans-66.5-35.3178.9-67.8-67.9166.2-140.30112.9K354 D355 T382 L383 E389 T390K354-K386 VanDerWaalsContact O-CB 3.26Å; K354-K386 WeakPolarHBondContact O-CB 3.35Å; D355-K386 HydrophobicContact CB-CB 3.9Å; T382-K386 WeakPolarHBondContact O-CG 3.49Å; T382-K386 PolarHBondContact O-N 2.85Å; L383-K386 PolarHBondContact O-N 3.3Å; K386-E389 IonicContact NZ-OE1 3.92Å; K386-E389 PolarHBondContact NZ-OE1 3.42Å; K386-E389 IonicContact NZ-OE2 3.98Å; K386-E389 PolarHBondContact NZ-OE2 2.89Å; K386-E389 PolarHBondContact O-N 2.68Å; K386-T390 WeakPolarHBondContact O-CB 3.27Å; K386-T390 PolarHBondContact O-N 2.73Å; K386-T390 PolarHBondContact O-OG1 3.07Å
387A97.3Very high95.6Very high0 Ų057.9 Ų57.90%029%0.288CS..Hα-helixtrans-56.5-49.8172.500000112.1M332 D355 L383 K384 V385 T390 V391M332-A387 HydrophobicContact CB-CB 3.91Å; M332-A387 HydrophobicContact CE-CB 4.09Å; M332-A387 HydrophobicContact CG-CB 3.95Å; M332-A387 CarbonylContact O-C 3.58Å; D355-A387 WeakPolarHBondContact O-CB 3.35Å; L383-A387 WeakPolarHBondContact O-CB 3.31Å; L383-A387 PolarHBondContact O-N 3.05Å; K384-A387 WeakPolarHBondContact O-CB 3.42Å; K384-A387 PolarHBondContact O-N 3.36Å; V385-A387 VanDerWaalsContact C-N 3.34Å; V385-A387 PolarHBondContact O-N 2.82Å; A387-T390 PolarHBondContact O-N 2.97Å; A387-V391 PolarHBondContact O-N 2.73Å
388K97Very high96Very high91 Ų9159.5 Ų59.540%0.39629%0.286SS..Hα-helixtrans-60.8-48176.4-68.2-168.3178.5-169.40111.9M332 G335 K384 V385 T390 V391 Q392M332-K388 WeakPolarHBondContact O-CG 3.37Å; M332-K388 PolarHBondContact O-N 3.46Å; G335-K388 VanDerWaalsContact N-CE 3.34Å; K384-K388 PolarHBondContact O-N 3.44Å; V385-K388 PolarHBondContact O-N 2.9Å; K388-T390 VanDerWaalsContact C-N 3.3Å; K388-T390 PolarHBondContact O-N 3.35Å; K388-V391 PolarHBondContact O-N 3.13Å; K388-Q392 WeakPolarHBondContact O-CB 3.43Å; K388-Q392 VanDerWaalsContact O-CG 3.27Å; K388-Q392 WeakPolarHBondContact O-CG 3.08Å; K388-Q392 PolarHBondContact O-N 3.49Å
389E97.2Very high96.1Very high56 Ų5656 Ų5626%0.26227%0.266SS..Hα-helixtrans-57.4-42.4177.9-73.2179.3-151.900111.9V385 K386 K393V385-E389 PolarHBondContact O-N 3.4Å; K386-E389 IonicContact NZ-OE1 3.92Å; K386-E389 PolarHBondContact NZ-OE1 3.42Å; K386-E389 IonicContact NZ-OE2 3.98Å; K386-E389 PolarHBondContact NZ-OE2 2.89Å; K386-E389 PolarHBondContact O-N 2.68Å; E389-K393 VanDerWaalsContact O-CB 3.32Å; E389-K393 WeakPolarHBondContact O-CB 3.39Å; E389-K393 VanDerWaalsContact O-CG 3.25Å; E389-K393 WeakPolarHBondContact O-CG 3.47Å; E389-K393 PolarHBondContact O-N 3.32Å; E389-K393 IonicContact OE2-NZ 3.06Å
390T96.9Very high96.2Very high20 Ų2054 Ų5412%0.12326%0.259CS..Hα-helixtrans-61.9-48.1179.5-71.90000111.4M332 D355 K386 A387 K388 R394 F395M332-T390 HydrophobicContact CE-CG2 3.79Å; D355-T390 PolarHBondContact OD2-OG1 2.99Å; K386-T390 WeakPolarHBondContact O-CB 3.27Å; K386-T390 PolarHBondContact O-N 2.73Å; K386-T390 PolarHBondContact O-OG1 3.07Å; A387-T390 PolarHBondContact O-N 2.97Å; K388-T390 VanDerWaalsContact C-N 3.3Å; K388-T390 PolarHBondContact O-N 3.35Å; T390-R394 WeakPolarHBondContact O-CB 3.41Å; T390-R394 PolarHBondContact O-N 3.37Å; T390-F395 HydrophobicContact CG2-CE2 4.13Å
391V97.2Very high96.3Very high0 Ų053.8 Ų53.80%026%0.258CS..Hα-helixtrans-64.4-49.2178.9177.10000111.2L200 L329 M332 Y333 A387 K388 K393 R394 F395 M396L200-V391 HydrophobicContact CB-CG1 4.19Å; L200-V391 HydrophobicContact CD2-CG1 4.18Å; L329-V391 HydrophobicContact CD2-CG2 4.15Å; M332-V391 HydrophobicContact CB-CG2 3.42Å; M332-V391 VanDerWaalsContact CB-CG2 3.42Å; M332-V391 HydrophobicContact CE-CG2 4.47Å; M332-V391 HydrophobicContact SD-CG2 4.46Å; Y333-V391 HydrophobicContact CD2-CG1 4.32Å; A387-V391 PolarHBondContact O-N 2.73Å; K388-V391 PolarHBondContact O-N 3.13Å; V391-K393 VanDerWaalsContact C-N 3.25Å; V391-K393 PolarHBondContact O-N 3.1Å; V391-R394 PolarHBondContact O-N 2.8Å; V391-F395 HydrophobicContact CG1-CB 4.43Å; V391-F395 PolarHBondContact O-N 3.1Å; V391-M396 HydrophobicContact CG1-SD 4.32Å; V391-M396 PolarHBondContact O-N 3.13Å
392Q95.8Very high96.2Very high109 Ų10951.6 Ų51.651%0.50925%0.248SC..Hα-helixtrans-59.2-35.1-178.2-73.4175.1-21.800112.9K388 M396K388-Q392 WeakPolarHBondContact O-CB 3.43Å; K388-Q392 VanDerWaalsContact O-CG 3.27Å; K388-Q392 WeakPolarHBondContact O-CG 3.08Å; K388-Q392 PolarHBondContact O-N 3.49Å; Q392-M396 WeakPolarHBondContact O-CG 3.47Å
393K95.8Very high96Very high138 Ų13850.2 Ų50.260%0.623%0.234SC*.Hα-helixtrans-85.3-26.9-177.6-72.2172.6-179.21680114.5E389 V391E389-K393 VanDerWaalsContact O-CB 3.32Å; E389-K393 WeakPolarHBondContact O-CB 3.39Å; E389-K393 VanDerWaalsContact O-CG 3.25Å; E389-K393 WeakPolarHBondContact O-CG 3.47Å; E389-K393 PolarHBondContact O-N 3.32Å; E389-K393 IonicContact OE2-NZ 3.06Å; V391-K393 VanDerWaalsContact C-N 3.25Å; V391-K393 PolarHBondContact O-N 3.1Å
394R94.6Very high95.9Very high86 Ų8650.1 Ų50.133%0.32523%0.233SC..Hα-helixtrans-120.6-30.5-166.4-66.7171.962.6-155.8-2.6114.1E348 T390 V391 R403E348-R394 PolarHBondContact O-NH2 3.49Å; T390-R394 WeakPolarHBondContact O-CB 3.41Å; T390-R394 PolarHBondContact O-N 3.37Å; V391-R394 PolarHBondContact O-N 2.8Å; R394-R403 PolarHBondContact O-NH1 3.47Å; R394-R403 PolarHBondContact O-NH2 2.76Å
395F96.7Very high95.6Very high0 Ų051.7 Ų51.70%024%0.237CC..SBendtrans-126.318.4-163.6-56.7-67.7000112.6H197 C199 L200 F324 L329 I349 T390 V391H197-F395 HydrophobicContact CB-CD1 4.35Å; H197-F395 HydrophobicContact CB-CE1 4.04Å; C199-F395 CarbonylContact C-O 3.59Å; C199-F395 WeakPolarHBondContact CA-O 3.3Å; C199-F395 VanDerWaalsContact CB-O 3.3Å; C199-F395 WeakPolarHBondContact CB-O 3.44Å; L200-F395 PolarHBondContact N-O 3.35Å; F324-F395 HydrophobicContact CE2-CE1 4.18Å; F324-F395 AromaticContact CZ-CD1 3.9Å; F324-F395 HydrophobicContact CZ-CD1 3.9Å; F324-F395 AromaticContact CZ-CE1 3.68Å; F324-F395 HydrophobicContact CZ-CE1 3.68Å; F324-F395 HydrophobicContact CZ-CZ 4.48Å; L329-F395 HydrophobicContact CD1-CB 3.85Å; L329-F395 HydrophobicContact CD1-CD1 4.4Å; L329-F395 HydrophobicContact CD1-CG 4.15Å; L329-F395 HydrophobicContact CD2-CB 3.81Å; L329-F395 HydrophobicContact CD2-CD1 4.23Å; L329-F395 HydrophobicContact CD2-CD2 3.44Å; L329-F395 VanDerWaalsContact CD2-CD2 3.44Å; L329-F395 HydrophobicContact CD2-CE2 4Å; L329-F395 HydrophobicContact CD2-CG 3.57Å; L329-F395 HydrophobicContact CG-CB 4.47Å; I349-F395 HydrophobicContact CB-CE2 4.49Å; I349-F395 HydrophobicContact CB-CZ 4.47Å; I349-F395 HydrophobicContact CG1-CZ 4.16Å; I349-F395 HydrophobicContact CG2-CE2 4.04Å; I349-F395 HydrophobicContact CG2-CZ 4.48Å; T390-F395 HydrophobicContact CG2-CE2 4.13Å; V391-F395 HydrophobicContact CG1-CB 4.43Å; V391-F395 PolarHBondContact O-N 3.1Å
396M96.9Very high95.1Very high49 Ų4953.2 Ų53.224%0.24124%0.239CC..SBendtrans-76.3157.8171-62.7-57.6-69.400111L200 V205 Y333 V391 Q392 H398 E399 L400L200-M396 HydrophobicContact CD2-SD 4.39Å; V205-M396 HydrophobicContact CG2-CE 4.46Å; Y333-M396 HydrophobicContact CE2-CE 4.45Å; V391-M396 HydrophobicContact CG1-SD 4.32Å; V391-M396 PolarHBondContact O-N 3.13Å; Q392-M396 WeakPolarHBondContact O-CG 3.47Å; M396-H398 PolarHBondContact O-N 3.29Å; M396-E399 WeakPolarHBondContact O-CB 3.4Å; M396-E399 PolarHBondContact O-N 2.99Å; M396-L400 PolarHBondContact O-N 3.16Å
397H96.5Very high94.5Very high28 Ų2850.6 Ų50.613%0.1323%0.228CC..Hα-helixtrans-55.9-33.5178.7-175.864.7000113.8D21 E28 T202 E399 L400 S401D21-H397 PolarHBondContact O-CE1 2.91Å; E28-H397 IonicContact OE1-NE2 3.94Å; E28-H397 IonicContact OE2-CD2 3.67Å; E28-H397 PolarHBondContact OE2-CD2 2.92Å; E28-H397 IonicContact OE2-CE1 3.89Å; E28-H397 IonicContact OE2-NE2 3.14Å; E28-H397 PolarHBondContact OE2-NE2 3.35Å; T202-H397 HydrophobicContact CG2-CB 3.64Å; T202-H397 VanDerWaalsContact CG2-CG 3.43Å; T202-H397 WeakPolarHBondContact CG2-ND1 3.28Å; H397-E399 VanDerWaalsContact C-N 3.32Å; H397-E399 PolarHBondContact O-N 3.31Å; H397-L400 PolarHBondContact O-N 3.13Å; H397-S401 WeakPolarHBondContact O-CB 2.88Å; H397-S401 PolarHBondContact O-N 3.39Å; H397-S401 PolarHBondContact O-OG 2.97Å
398H95.6Very high93.8Very high119 Ų11951 Ų5155%0.55123%0.23SC*.Hα-helixtrans-59.2-42.9173.1-179.471.3000112M396 S401 V402M396-H398 PolarHBondContact O-N 3.29Å; H398-S401 WeakPolarHBondContact O-CB 3.26Å; H398-S401 PolarHBondContact O-N 2.92Å; H398-V402 WeakPolarHBondContact O-CG2 3.39Å; H398-V402 PolarHBondContact O-N 3.5Å
399E95.4Very high93Very high58 Ų5853 Ų5327%0.27124%0.241SC..Hα-helixtrans-66.5-39.9179.6-59.2-59.1135.900111.8M396 H397 S401 V402 R403M396-E399 WeakPolarHBondContact O-CB 3.4Å; M396-E399 PolarHBondContact O-N 2.99Å; H397-E399 VanDerWaalsContact C-N 3.32Å; H397-E399 PolarHBondContact O-N 3.31Å; E399-S401 VanDerWaalsContact C-N 3.33Å; E399-V402 PolarHBondContact O-N 3.46Å; E399-R403 WeakPolarHBondContact O-CG 3.5Å; E399-R403 PolarHBondContact O-N 3.18Å; E399-R403 VanDerWaalsContact O-N 3.15Å
400L95.5Very high91.8Very high0 Ų053.9 Ų53.90%025%0.247CC..Hα-helixtrans-59.4-46.4171.4-178.780.4000110.7D21 V22 F196 H197 C199 M396 H397 V402 R403 L404D21-L400 HydrophobicContact CB-CD2 4.1Å; V22-L400 HydrophobicContact CG2-CD2 4.18Å; F196-L400 HydrophobicContact CD1-CD1 4.45Å; F196-L400 HydrophobicContact CD2-CD1 4.47Å; F196-L400 HydrophobicContact CE1-CD1 3.72Å; F196-L400 HydrophobicContact CE2-CD1 3.73Å; F196-L400 HydrophobicContact CE2-CG 4.32Å; F196-L400 HydrophobicContact CZ-CD1 3.31Å; F196-L400 HydrophobicContact CZ-CG 3.88Å; H197-L400 WeakPolarHBondContact O-CD1 3.21Å; C199-L400 HydrophobicContact CB-CB 3.96Å; C199-L400 HydrophobicContact CB-CD2 4.4Å; M396-L400 PolarHBondContact O-N 3.16Å; H397-L400 PolarHBondContact O-N 3.13Å; L400-V402 PolarHBondContact O-N 3.35Å; L400-R403 PolarHBondContact O-N 2.97Å; L400-L404 WeakPolarHBondContact O-CB 3.39Å; L400-L404 PolarHBondContact O-N 3.21Å
401S95.3Very high90.5Very high7 Ų756.3 Ų56.35%0.04926%0.256CS..Hα-helixtrans-63.2-38.9-178.9-62.10000112.6A25 Q29 H397 H398 E399 L404 R405A25-S401 WeakPolarHBondContact CB-OG 3.37Å; Q29-S401 PolarHBondContact NE2-O 2.86Å; H397-S401 WeakPolarHBondContact O-CB 2.88Å; H397-S401 PolarHBondContact O-N 3.39Å; H397-S401 PolarHBondContact O-OG 2.97Å; H398-S401 WeakPolarHBondContact O-CB 3.26Å; H398-S401 PolarHBondContact O-N 2.92Å; E399-S401 VanDerWaalsContact C-N 3.33Å; S401-L404 PolarHBondContact O-N 2.84Å; S401-R405 PolarHBondContact O-N 3.02Å
402V94Very high88.6Confident35 Ų3562.3 Ų62.321%0.21229%0.292CS..Hα-helixtrans-61.1-52.5173.9173.10000110.5H398 E399 L400 L404 R405 E406H398-V402 WeakPolarHBondContact O-CG2 3.39Å; H398-V402 PolarHBondContact O-N 3.5Å; E399-V402 PolarHBondContact O-N 3.46Å; L400-V402 PolarHBondContact O-N 3.35Å; V402-L404 VanDerWaalsContact C-N 3.26Å; V402-L404 PolarHBondContact O-N 2.59Å; V402-R405 WeakPolarHBondContact O-CB 3.48Å; V402-R405 PolarHBondContact O-N 2.92Å; V402-R405 VanDerWaalsContact O-N 3.11Å; V402-E406 WeakPolarHBondContact O-CG 3.3Å; V402-E406 PolarHBondContact O-N 3.34Å
403R91.6Very high86.4Confident51 Ų5161.2 Ų61.219%0.19231%0.31CS..Hα-helixtrans-59.9-38.5178.7-67.4172.9-167116.911112.2F196 R394 E399 L400 E406 I407F196-R403 HydrophobicContact CD2-CB 3.93Å; F196-R403 HydrophobicContact CE2-CB 3.92Å; R394-R403 PolarHBondContact O-NH1 3.47Å; R394-R403 PolarHBondContact O-NH2 2.76Å; E399-R403 WeakPolarHBondContact O-CG 3.5Å; E399-R403 PolarHBondContact O-N 3.18Å; E399-R403 VanDerWaalsContact O-N 3.15Å; L400-R403 PolarHBondContact O-N 2.97Å; R403-E406 PolarHBondContact O-N 3.05Å; R403-I407 VanDerWaalsContact O-CG1 3.31Å; R403-I407 WeakPolarHBondContact O-CG1 3.22Å; R403-I407 PolarHBondContact O-N 3.35Å
404L92.4Very high86Confident0 Ų057.4 Ų57.40%030%0.296CS..Hα-helixtrans-62.6-44.9177.1179.963.6000110.7A25 M26 F110 F196 L400 S401 V402 E406 I407 M408A25-L404 HydrophobicContact CB-CD2 3.78Å; M26-L404 HydrophobicContact CE-CD1 3.89Å; M26-L404 HydrophobicContact CE-CD2 4.48Å; M26-L404 HydrophobicContact CG-CD2 3.63Å; F110-L404 HydrophobicContact CE2-CD1 4.08Å; F110-L404 HydrophobicContact CZ-CD1 3.9Å; F196-L404 HydrophobicContact CE2-CB 3.98Å; F196-L404 HydrophobicContact CZ-CB 4.08Å; F196-L404 HydrophobicContact CZ-CD1 4.21Å; L400-L404 WeakPolarHBondContact O-CB 3.39Å; L400-L404 PolarHBondContact O-N 3.21Å; S401-L404 PolarHBondContact O-N 2.84Å; V402-L404 VanDerWaalsContact C-N 3.26Å; V402-L404 PolarHBondContact O-N 2.59Å; L404-E406 PolarHBondContact O-N 2.9Å; L404-I407 PolarHBondContact O-N 3.03Å; L404-M408 HydrophobicContact CD1-CG 4.04Å; L404-M408 HydrophobicContact CG-CG 4.26Å; L404-M408 VanDerWaalsContact O-CB 3.31Å; L404-M408 WeakPolarHBondContact O-CB 3.44Å; L404-M408 WeakPolarHBondContact O-CG 3.37Å; L404-M408 PolarHBondContact O-N 3.1Å
405R90.6Very high85.5Confident92 Ų9255.8 Ų55.835%0.34729%0.294SS..Hα-helixtrans-59.3-46.3174.8-74.9-170.1-61.1-87.21.9111.8Q29 S401 V402 I407 M408 E409Q29-R405 VanDerWaalsContact CD-CG 3.41Å; Q29-R405 HydrophobicContact CG-CG 4.32Å; Q29-R405 VanDerWaalsContact OE1-CG 3.23Å; S401-R405 PolarHBondContact O-N 3.02Å; V402-R405 WeakPolarHBondContact O-CB 3.48Å; V402-R405 PolarHBondContact O-N 2.92Å; V402-R405 VanDerWaalsContact O-N 3.11Å; R405-I407 VanDerWaalsContact C-N 3.31Å; R405-I407 PolarHBondContact O-N 3.31Å; R405-M408 CarbonylContact O-C 3.51Å; R405-M408 PolarHBondContact O-N 2.9Å; R405-M408 VanDerWaalsContact O-N 3.13Å; R405-E409 WeakPolarHBondContact O-CB 3.35Å; R405-E409 WeakPolarHBondContact O-CG 3.39Å; R405-E409 PolarHBondContact O-N 2.96Å
406E87.6Confident84.9Confident113 Ų11358.9 Ų58.953%0.52831%0.31SS..Hα-helixtrans-58.1-43.6178.3-67.7171.3170.800111.6V402 R403 L404 E409 L410V402-E406 WeakPolarHBondContact O-CG 3.3Å; V402-E406 PolarHBondContact O-N 3.34Å; R403-E406 PolarHBondContact O-N 3.05Å; L404-E406 PolarHBondContact O-N 2.9Å; E406-E409 PolarHBondContact O-N 3.14Å; E406-L410 WeakPolarHBondContact O-CG 3.43Å; E406-L410 PolarHBondContact O-N 2.88Å
407I83.8Confident84.2Confident10 Ų1059.5 Ų59.55%0.05132%0.315CS..Hα-helixtrans-67.3-40.7176.5-64.1166.4000111F110 F148 P194 F196 R403 L404 R405 L410F110-I407 HydrophobicContact CD2-CG2 4.4Å; F110-I407 HydrophobicContact CE2-CG2 3.71Å; F148-I407 HydrophobicContact CD1-CG2 3.92Å; F148-I407 HydrophobicContact CE1-CG2 4.36Å; F148-I407 HydrophobicContact CG-CG2 4.47Å; P194-I407 HydrophobicContact CB-CD1 4.01Å; P194-I407 HydrophobicContact CB-CG1 4.05Å; P194-I407 HydrophobicContact CG-CD1 3.67Å; P194-I407 HydrophobicContact CG-CG1 3.82Å; P194-I407 HydrophobicContact CG-CG2 4.18Å; F196-I407 HydrophobicContact CB-CD1 4.15Å; F196-I407 HydrophobicContact CD2-CD1 3.57Å; F196-I407 HydrophobicContact CE2-CD1 4.23Å; F196-I407 HydrophobicContact CG-CD1 4.04Å; R403-I407 VanDerWaalsContact O-CG1 3.31Å; R403-I407 WeakPolarHBondContact O-CG1 3.22Å; R403-I407 PolarHBondContact O-N 3.35Å; L404-I407 PolarHBondContact O-N 3.03Å; R405-I407 VanDerWaalsContact C-N 3.31Å; R405-I407 PolarHBondContact O-N 3.31Å; I407-L410 WeakPolarHBondContact O-CB 3.46Å; I407-L410 PolarHBondContact O-N 2.73Å
408M82.7Confident83.4Confident10 Ų1061.5 Ų61.55%0.04933%0.326CS..Hα-helixtrans-71.4-27.8179.2-71.3-57.8-55.900112.8M1 L88 F110 L404 R405 L410 F411M1-M408 HydrophobicContact CE-CE 3.22Å; M1-M408 HydrophobicContact SD-CE 4.1Å; L88-M408 HydrophobicContact CD2-CE 3.78Å; L88-M408 HydrophobicContact CD2-SD 3.92Å; F110-M408 HydrophobicContact CD2-SD 4.38Å; L404-M408 HydrophobicContact CD1-CG 4.04Å; L404-M408 HydrophobicContact CG-CG 4.26Å; L404-M408 VanDerWaalsContact O-CB 3.31Å; L404-M408 WeakPolarHBondContact O-CB 3.44Å; L404-M408 WeakPolarHBondContact O-CG 3.37Å; L404-M408 PolarHBondContact O-N 3.1Å; R405-M408 CarbonylContact O-C 3.51Å; R405-M408 PolarHBondContact O-N 2.9Å; R405-M408 VanDerWaalsContact O-N 3.13Å; M408-L410 VanDerWaalsContact C-N 3.3Å; M408-L410 PolarHBondContact O-N 2.81Å; M408-F411 WeakPolarHBondContact O-CB 3.46Å; M408-F411 PolarHBondContact O-N 3.26Å; M408-F411 VanDerWaalsContact O-N 3.1Å
409E80.9Confident82.6Confident132 Ų13257.7 Ų57.762%0.61731%0.311SS*.Hα-helixtrans-69-31174.3-77.4172-174.100111.6R405 E406 F411 V412 G413R405-E409 WeakPolarHBondContact O-CB 3.35Å; R405-E409 WeakPolarHBondContact O-CG 3.39Å; R405-E409 PolarHBondContact O-N 2.96Å; E406-E409 PolarHBondContact O-N 3.14Å; E409-F411 PolarHBondContact O-N 3.47Å; E409-F411 VanDerWaalsContact O-N 3.13Å; E409-V412 PolarHBondContact O-N 2.91Å; E409-V412 VanDerWaalsContact O-N 3.14Å; E409-G413 PolarHBondContact O-N 2.88Å
410L72.8Confident81.7Confident74 Ų7457.6 Ų57.639%0.38731%0.314SS..Hα-helixtrans-64.1-13.1170.8-60.4172.1000113.2E406 I407 M408E406-L410 WeakPolarHBondContact O-CG 3.43Å; E406-L410 PolarHBondContact O-N 2.88Å; I407-L410 WeakPolarHBondContact O-CB 3.46Å; I407-L410 PolarHBondContact O-N 2.73Å; M408-L410 VanDerWaalsContact C-N 3.3Å; M408-L410 PolarHBondContact O-N 2.81Å
411F67.8Low80.6Confident71 Ų7162.1 Ų62.131%0.31134%0.338SS..Hα-helixtrans-79.3-36.1174.1-179.8-116.9000112.7M1 P108 F148 M408 E409M1-F411 HydrophobicContact SD-CD1 4.11Å; M1-F411 HydrophobicContact SD-CE1 3.95Å; P108-F411 HydrophobicContact CB-CD2 4.42Å; P108-F411 HydrophobicContact CB-CE2 3.7Å; P108-F411 HydrophobicContact CB-CZ 4.29Å; P108-F411 HydrophobicContact CG-CD2 4.38Å; P108-F411 HydrophobicContact CG-CE2 3.26Å; P108-F411 HydrophobicContact CG-CZ 3.55Å; F148-F411 HydrophobicContact CE2-CB 4.21Å; F148-F411 AromaticContact CE2-CD2 3.85Å; F148-F411 HydrophobicContact CE2-CD2 3.85Å; F148-F411 HydrophobicContact CE2-CG 4.35Å; F148-F411 HydrophobicContact CZ-CB 3.72Å; F148-F411 AromaticContact CZ-CD2 3.95Å; F148-F411 HydrophobicContact CZ-CD2 3.95Å; F148-F411 HydrophobicContact CZ-CG 4.27Å; M408-F411 WeakPolarHBondContact O-CB 3.46Å; M408-F411 PolarHBondContact O-N 3.26Å; M408-F411 VanDerWaalsContact O-N 3.1Å; E409-F411 PolarHBondContact O-N 3.47Å; E409-F411 VanDerWaalsContact O-N 3.13Å
412V58.7Low79.4Confident126 Ų12666.7 Ų66.776%0.76436%0.362SS*.Hα-helixtrans-88.8-20-173.4-174.10000111.6E409E409-V412 PolarHBondContact O-N 2.91Å; E409-V412 VanDerWaalsContact O-N 3.14Å
413G50.2Low78.1Confident86 Ų8669.5 Ų69.589%0.88738%0.376SS*.  trans-107.60-179.500000115.6R191 E409R191-G413 PolarHBondContact NH1-OXT 3.01Å; E409-G413 PolarHBondContact O-N 2.88Å

Retrieved 413 of 413 residues in 1113.2 ms (Link to these results)

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