G4VES0_SCHMA Loading...

Putative mbp-1 interacting protein-2a

AlphaFold DB , UniProt , Accession G4VES0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 141 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
1M56.2Low88.3Confident206 Ų20633.5 Ų33.5100%1.01517%0.166SC*.  0132.20-167.1179-121.500105.3G3M1-G3 PolarHBondContact O-N 2.61Å
2V72.4Confident88.5Confident51 Ų5136.2 Ų36.231%0.30919%0.187SC..PPolyproline II helixtrans-66119.1178.4179.20000107.6
3G81.1Confident88.8Confident6 Ų645.5 Ų45.56%0.06223%0.229CC..PPolyproline II helixtrans-64.5165178.100000112M1 Y5 D90M1-G3 PolarHBondContact O-N 2.61Å; G3-Y5 VanDerWaalsContact C-CE2 3.46Å; G3-Y5 WeakPolarHBondContact O-CD2 3.47Å; G3-Y5 WeakPolarHBondContact O-CE2 3.36Å; G3-D90 VanDerWaalsContact CA-OD1 3.29Å; G3-D90 WeakPolarHBondContact CA-OD1 3.42Å
4R89.6Confident89.1Confident83 Ų8347.5 Ų47.531%0.31324%0.24SC..PPolyproline II helixtrans-100.5134.7173-64.5175.5-69.7165.84.7108.8N23 W72 H89 D90R4-N23 WeakPolarHBondContact CB-OD1 3.48Å; R4-N23 WeakPolarHBondContact CG-OD1 3.25Å; R4-W72 HydrophobicContact CB-CH2 3.69Å; R4-W72 HydrophobicContact CB-CZ3 4.02Å; R4-H89 WeakPolarHBondContact O-CA 3.31Å; R4-D90 IonicContact CZ-OD2 3.5Å; R4-D90 PolarHBondContact N-OD1 2.9Å; R4-D90 IonicContact NE-OD2 2.9Å; R4-D90 PolarHBondContact NE-OD2 2.79Å; R4-D90 IonicContact NH2-OD2 3.19Å; R4-D90 PolarHBondContact NH2-OD2 3.43Å
5Y93.6Very high89.4Confident3 Ų347.4 Ų47.41%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-136.2130.7-177.2-56.3-93.3000110.5G3 Y22 L87 L88 H89 E91 F140G3-Y5 VanDerWaalsContact C-CE2 3.46Å; G3-Y5 WeakPolarHBondContact O-CD2 3.47Å; G3-Y5 WeakPolarHBondContact O-CE2 3.36Å; Y5-Y22 AromaticContact CD2-CD1 3.89Å; Y5-Y22 HydrophobicContact CD2-CD1 3.89Å; Y5-Y22 PolarHBondContact N-O 3.37Å; Y5-Y22 CarbonylContact O-C 3.58Å; Y5-Y22 WeakPolarHBondContact O-CA 3.29Å; Y5-Y22 PolarHBondContact O-N 3.32Å; Y5-L87 HydrophobicContact CD1-CD1 4.5Å; Y5-L87 HydrophobicContact CD1-CD2 4.26Å; Y5-L88 CarbonylContact C-O 3.47Å; Y5-L88 VanDerWaalsContact CA-O 3.26Å; Y5-L88 WeakPolarHBondContact CA-O 3.48Å; Y5-H89 HydrophobicContact CD1-CB 3.53Å; Y5-H89 HydrophobicContact CE1-CB 3.67Å; Y5-E91 PolarHBondContact OH-OE2 3.4Å; Y5-F140 AromaticContact CD1-CD1 3.99Å; Y5-F140 HydrophobicContact CD1-CD1 3.99Å; Y5-F140 HydrophobicContact CD1-CD2 4.24Å; Y5-F140 AromaticContact CD1-CE1 3.92Å; Y5-F140 HydrophobicContact CD1-CE1 3.92Å; Y5-F140 HydrophobicContact CD1-CE2 4.17Å; Y5-F140 HydrophobicContact CD1-CG 4.17Å; Y5-F140 HydrophobicContact CD1-CZ 4.02Å; Y5-F140 HydrophobicContact CD2-CB 3.91Å; Y5-F140 HydrophobicContact CD2-CD1 4.34Å; Y5-F140 HydrophobicContact CD2-CD2 4.16Å; Y5-F140 AromaticContact CD2-CG 3.9Å; Y5-F140 HydrophobicContact CD2-CG 3.9Å; Y5-F140 AromaticContact CE1-CD1 3.55Å; Y5-F140 HydrophobicContact CE1-CD1 3.55Å; Y5-F140 AromaticContact CE1-CE1 3.63Å; Y5-F140 HydrophobicContact CE1-CE1 3.63Å; Y5-F140 HydrophobicContact CE1-CG 4.07Å; Y5-F140 HydrophobicContact CE1-CZ 4.2Å; Y5-F140 HydrophobicContact CE2-CB 3.61Å; Y5-F140 AromaticContact CE2-CD1 3.9Å; Y5-F140 HydrophobicContact CE2-CD1 3.9Å; Y5-F140 HydrophobicContact CE2-CD2 4.47Å; Y5-F140 AromaticContact CE2-CG 3.76Å; Y5-F140 HydrophobicContact CE2-CG 3.76Å; Y5-F140 HydrophobicContact CG-CD1 4.37Å; Y5-F140 HydrophobicContact CG-CD2 4.03Å; Y5-F140 HydrophobicContact CG-CE2 4.28Å; Y5-F140 HydrophobicContact CG-CG 4.09Å; Y5-F140 AromaticContact CZ-CD1 3.48Å; Y5-F140 VanDerWaalsContact CZ-CD1 3.48Å; Y5-F140 AromaticContact CZ-CG 3.85Å
6Y95.3Very high89.8Confident5 Ų548.5 Ų48.52%0.0226%0.257CS..EExtended strand (participates in β ladder)trans-122.6119.2169.5172.1-96.6000109V8 D19 D21 L37 N40 Q41 A44 L87 L88Y6-V8 HydrophobicContact CE1-CB 4.24Å; Y6-V8 HydrophobicContact CE1-CG1 4.38Å; Y6-D19 HydrophobicContact CE2-CB 4.14Å; Y6-D21 HydrophobicContact CD2-CB 4.29Å; Y6-L37 HydrophobicContact CD2-CD1 4.07Å; Y6-L37 HydrophobicContact CE2-CD1 3.6Å; Y6-N40 HydrophobicContact CD1-CB 3.74Å; Y6-N40 HydrophobicContact CD2-CB 4.08Å; Y6-N40 HydrophobicContact CE1-CB 4.14Å; Y6-N40 HydrophobicContact CE2-CB 4.46Å; Y6-N40 HydrophobicContact CG-CB 3.69Å; Y6-Q41 VanDerWaalsContact OH-CG 3.24Å; Y6-Q41 WeakPolarHBondContact OH-CG 3.46Å; Y6-A44 HydrophobicContact CE1-CB 4.05Å; Y6-L87 CarbonylContact O-C 3.57Å; Y6-L87 WeakPolarHBondContact O-CA 3.44Å; Y6-L88 HydrophobicContact CD1-CD1 4.29Å; Y6-L88 HydrophobicContact CD1-CD2 4.09Å; Y6-L88 PolarHBondContact N-O 3.42Å; Y6-L88 PolarHBondContact O-N 2.87Å
7F97.1Very high90.1Very high3 Ų345.9 Ų45.91%0.01324%0.243CC..EExtended strand (participates in β ladder)trans-111.3136.6-176.1173.3-116.6000110.5I9 F18 D19 L20 F85 I86 L87 F100 F101 T104 V132F7-I9 HydrophobicContact CE1-CD1 3.99Å; F7-I9 HydrophobicContact CE1-CG1 3.64Å; F7-I9 HydrophobicContact CE2-CG1 4.39Å; F7-I9 HydrophobicContact CZ-CD1 4.01Å; F7-I9 HydrophobicContact CZ-CG1 3.43Å; F7-I9 VanDerWaalsContact CZ-CG1 3.43Å; F7-F18 HydrophobicContact CD1-CD1 4.31Å; F7-F18 HydrophobicContact CD1-CE1 4.22Å; F7-F18 HydrophobicContact CE1-CD1 4.16Å; F7-F18 HydrophobicContact CE1-CE1 4.31Å; F7-D19 CarbonylContact O-C 3.58Å; F7-D19 VanDerWaalsContact O-CA 3.24Å; F7-D19 WeakPolarHBondContact O-CA 3.45Å; F7-L20 HydrophobicContact CB-CB 4.4Å; F7-L20 HydrophobicContact CD1-CB 4.44Å; F7-L20 PolarHBondContact N-O 2.88Å; F7-L20 PolarHBondContact O-N 2.93Å; F7-F85 HydrophobicContact CE2-CB 3.92Å; F7-F85 HydrophobicContact CE2-CD2 4.14Å; F7-F85 HydrophobicContact CE2-CG 4.07Å; F7-F85 HydrophobicContact CZ-CB 4.43Å; F7-F85 AromaticContact CZ-CD2 3.97Å; F7-F85 HydrophobicContact CZ-CD2 3.97Å; F7-F85 HydrophobicContact CZ-CE2 4.37Å; F7-F85 HydrophobicContact CZ-CG 4.08Å; F7-I86 CarbonylContact C-O 3.56Å; F7-I86 WeakPolarHBondContact CA-O 3.1Å; F7-I86 VanDerWaalsContact CD2-O 3.29Å; F7-I86 WeakPolarHBondContact CD2-O 3.45Å; F7-L87 HydrophobicContact CB-CD1 3.75Å; F7-L87 HydrophobicContact CD2-CD1 4.31Å; F7-L87 HydrophobicContact CG-CD1 4.46Å; F7-F100 HydrophobicContact CB-CE1 4.3Å; F7-F100 HydrophobicContact CB-CZ 4.22Å; F7-F100 HydrophobicContact CD1-CE1 4.25Å; F7-F100 AromaticContact CD1-CZ 3.95Å; F7-F100 HydrophobicContact CD1-CZ 3.95Å; F7-F100 AromaticContact CD2-CE1 3.65Å; F7-F100 HydrophobicContact CD2-CE1 3.65Å; F7-F100 HydrophobicContact CD2-CZ 4.18Å; F7-F100 HydrophobicContact CE1-CZ 4.38Å; F7-F100 AromaticContact CE2-CE1 3.99Å; F7-F100 HydrophobicContact CE2-CE1 3.99Å; F7-F100 AromaticContact CG-CE1 3.79Å; F7-F100 HydrophobicContact CG-CE1 3.79Å; F7-F100 AromaticContact CG-CZ 3.83Å; F7-F100 HydrophobicContact CG-CZ 3.83Å; F7-F100 HydrophobicContact CZ-CE1 4.41Å; F7-F101 HydrophobicContact CD2-CE1 4.07Å; F7-F101 HydrophobicContact CE2-CD1 4.04Å; F7-F101 AromaticContact CE2-CE1 3.78Å; F7-F101 HydrophobicContact CE2-CE1 3.78Å; F7-T104 HydrophobicContact CE1-CG2 3.68Å; F7-T104 HydrophobicContact CZ-CG2 3.7Å; F7-V132 HydrophobicContact CD1-CG1 4.25Å; F7-V132 HydrophobicContact CE1-CG1 4.29Å
8V97.5Very high90.5Very high5 Ų544.1 Ų44.13%0.0323%0.233CC..EExtended strand (participates in β ladder)trans-137.114217365.10000111.2Y6 A16 F18 D19 A44 I86Y6-V8 HydrophobicContact CE1-CB 4.24Å; Y6-V8 HydrophobicContact CE1-CG1 4.38Å; V8-A16 HydrophobicContact CG2-CB 4.1Å; V8-F18 CarbonylContact C-O 3.56Å; V8-F18 VanDerWaalsContact CA-O 3.28Å; V8-F18 WeakPolarHBondContact CA-O 3.34Å; V8-F18 WeakPolarHBondContact CG2-O 3.41Å; V8-D19 HydrophobicContact CG2-CB 4.47Å; V8-A44 HydrophobicContact CG1-CB 3.91Å; V8-I86 HydrophobicContact CG1-CB 3.7Å; V8-I86 HydrophobicContact CG1-CD1 4.42Å; V8-I86 HydrophobicContact CG1-CG2 4.31Å; V8-I86 PolarHBondContact N-O 3.16Å; V8-I86 PolarHBondContact O-N 3.19Å
9I97.6Very high90.7Very high0 Ų045.7 Ų45.70%024%0.242CC..EExtended strand (participates in β ladder)trans-102.6114.5167.3-58.9178.6000107.3F7 L17 F18 F85 Y108 I123 F128F7-I9 HydrophobicContact CE1-CD1 3.99Å; F7-I9 HydrophobicContact CE1-CG1 3.64Å; F7-I9 HydrophobicContact CE2-CG1 4.39Å; F7-I9 HydrophobicContact CZ-CD1 4.01Å; F7-I9 HydrophobicContact CZ-CG1 3.43Å; F7-I9 VanDerWaalsContact CZ-CG1 3.43Å; I9-L17 HydrophobicContact CG2-CB 4.31Å; I9-L17 HydrophobicContact CG2-CD1 4.34Å; I9-L17 WeakPolarHBondContact O-CB 3.34Å; I9-L17 PolarHBondContact O-N 3.34Å; I9-F18 HydrophobicContact CB-CB 4.24Å; I9-F18 HydrophobicContact CD1-CB 4.24Å; I9-F18 HydrophobicContact CD1-CD1 4.26Å; I9-F18 HydrophobicContact CG1-CB 4.38Å; I9-F18 HydrophobicContact CG1-CD1 4.44Å; I9-F18 PolarHBondContact N-O 2.82Å; I9-F18 PolarHBondContact O-N 2.81Å; I9-F85 HydrophobicContact CB-CD1 4.25Å; I9-F85 HydrophobicContact CB-CE1 4.22Å; I9-F85 HydrophobicContact CD1-CE1 3.92Å; I9-F85 HydrophobicContact CD1-CZ 4.03Å; I9-F85 HydrophobicContact CG1-CD1 3.87Å; I9-F85 HydrophobicContact CG1-CE1 3.75Å; I9-F85 HydrophobicContact CG1-CG 4.49Å; I9-F85 HydrophobicContact CG1-CZ 4.26Å; I9-F85 HydrophobicContact CG2-CD1 3.91Å; I9-F85 HydrophobicContact CG2-CE1 3.61Å; I9-Y108 HydrophobicContact CD1-CD2 4.35Å; I9-I123 HydrophobicContact CD1-CD1 4.45Å; I9-F128 HydrophobicContact CD1-CE1 4.37Å; I9-F128 HydrophobicContact CD1-CZ 4.01Å
10C96.7Very high90.9Very high7 Ų744.5 Ų44.55%0.04724%0.236CC..EExtended strand (participates in β ladder)trans-98.7133.2174.2-590000110.3E15 L48 R84C10-E15 CarbonylContact C-O 3.56Å; C10-E15 VanDerWaalsContact CA-O 3.31Å; C10-E15 WeakPolarHBondContact CA-O 3.38Å; C10-L48 HydrophobicContact CB-CD2 4.14Å; C10-R84 HydrophobicContact CB-CB 4.24Å; C10-R84 PolarHBondContact N-O 3.3Å; C10-R84 PolarHBondContact O-N 2.93Å
11G94.7Very high91Very high0 Ų045.2 Ų45.20%024%0.239CC..  trans-75.1-179.1172.400000112.2H13 E15 R84G11-H13 VanDerWaalsContact C-N 3.26Å; G11-H13 PolarHBondContact O-N 3.07Å; G11-E15 VanDerWaalsContact C-OE2 3.27Å; G11-E15 WeakPolarHBondContact CA-OE2 3.43Å; G11-E15 PolarHBondContact N-O 3.3Å; G11-R84 PolarHBondContact O-NH2 2.81Å
12P90.7Very high92.6Very high65 Ų6536.2 Ų36.242%0.42219%0.194SC..THydrogen-bonded Turntrans-71.9-11.8-176.2-19.734.2000115.6
13H92.1Very high93.1Very high158 Ų15835.7 Ų35.773%0.73119%0.19SC*.THydrogen-bonded Turntrans-113.129-178.9-53.9-64.9000111.5G11 E15G11-H13 VanDerWaalsContact C-N 3.26Å; G11-H13 PolarHBondContact O-N 3.07Å; H13-E15 WeakPolarHBondContact CA-OE2 3.01Å; H13-E15 VanDerWaalsContact CB-OE2 3.27Å; H13-E15 WeakPolarHBondContact CB-OE2 3.42Å; H13-E15 PolarHBondContact N-OE2 3.49Å; H13-E15 PolarHBondContact O-N 3.13Å; H13-E15 VanDerWaalsContact O-N 3.16Å
14D93.1Very high92.3Very high73 Ų7337 Ų3739%0.3920%0.198SC..SBendtrans61.418.9-179.5-49.6-34000113.8L48 R84D14-L48 HydrophobicContact CB-CD1 3.99Å; D14-R84 IonicContact OD1-CZ 2.82Å; D14-R84 IonicContact OD1-NH1 2.76Å; D14-R84 PolarHBondContact OD1-NH1 3.41Å; D14-R84 IonicContact OD1-NH2 3.91Å; D14-R84 PolarHBondContact OD1-NH2 3.42Å
15E93.6Very high90.6Very high46 Ų4639.1 Ų39.122%0.21522%0.222CC..  trans-80.7130.6177.175.5-78.9-159.700111.5C10 G11 H13 L17C10-E15 CarbonylContact C-O 3.56Å; C10-E15 VanDerWaalsContact CA-O 3.31Å; C10-E15 WeakPolarHBondContact CA-O 3.38Å; G11-E15 VanDerWaalsContact C-OE2 3.27Å; G11-E15 WeakPolarHBondContact CA-OE2 3.43Å; G11-E15 PolarHBondContact N-O 3.3Å; H13-E15 WeakPolarHBondContact CA-OE2 3.01Å; H13-E15 VanDerWaalsContact CB-OE2 3.27Å; H13-E15 WeakPolarHBondContact CB-OE2 3.42Å; H13-E15 PolarHBondContact N-OE2 3.49Å; H13-E15 PolarHBondContact O-N 3.13Å; H13-E15 VanDerWaalsContact O-N 3.16Å; E15-L17 HydrophobicContact CG-CD2 3.56Å; E15-L17 HydrophobicContact CG-CG 4.12Å; E15-L17 PolarHBondContact O-N 2.92Å; E15-L17 VanDerWaalsContact O-N 3.15Å
16A94.9Very high88.7Confident65 Ų6542.7 Ų42.754%0.53726%0.26SS..EExtended strand (participates in β ladder)trans-72107.117100000109.5V8V8-A16 HydrophobicContact CG2-CB 4.1Å
17L96Very high86.7Confident4 Ų448 Ų482%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-84.6-31.1-179.8-63.1177.3000112I9 E15 L83 P122 I123I9-L17 HydrophobicContact CG2-CB 4.31Å; I9-L17 HydrophobicContact CG2-CD1 4.34Å; I9-L17 WeakPolarHBondContact O-CB 3.34Å; I9-L17 PolarHBondContact O-N 3.34Å; E15-L17 HydrophobicContact CG-CD2 3.56Å; E15-L17 HydrophobicContact CG-CG 4.12Å; E15-L17 PolarHBondContact O-N 2.92Å; E15-L17 VanDerWaalsContact O-N 3.15Å; L17-L83 HydrophobicContact CD1-CD2 3.9Å; L17-P122 CarbonylContact O-C 3.42Å; L17-P122 WeakPolarHBondContact O-CA 3.47Å; L17-I123 PolarHBondContact O-N 3.28Å
18F96.6Very high84.4Confident14 Ų1450.3 Ų50.36%0.06130%0.3CS..EExtended strand (participates in β ladder)trans-161.2141.3-179.7176.4-93.8000109.6F7 V8 I9 L20 I123 F128 V132F7-F18 HydrophobicContact CD1-CD1 4.31Å; F7-F18 HydrophobicContact CD1-CE1 4.22Å; F7-F18 HydrophobicContact CE1-CD1 4.16Å; F7-F18 HydrophobicContact CE1-CE1 4.31Å; V8-F18 CarbonylContact C-O 3.56Å; V8-F18 VanDerWaalsContact CA-O 3.28Å; V8-F18 WeakPolarHBondContact CA-O 3.34Å; V8-F18 WeakPolarHBondContact CG2-O 3.41Å; I9-F18 HydrophobicContact CB-CB 4.24Å; I9-F18 HydrophobicContact CD1-CB 4.24Å; I9-F18 HydrophobicContact CD1-CD1 4.26Å; I9-F18 HydrophobicContact CG1-CB 4.38Å; I9-F18 HydrophobicContact CG1-CD1 4.44Å; I9-F18 PolarHBondContact N-O 2.82Å; I9-F18 PolarHBondContact O-N 2.81Å; F18-L20 HydrophobicContact CE1-CB 3.88Å; F18-L20 HydrophobicContact CZ-CB 4.25Å; F18-I123 HydrophobicContact CB-CB 4.23Å; F18-I123 HydrophobicContact CB-CD1 4.01Å; F18-I123 HydrophobicContact CB-CG1 4.37Å; F18-I123 HydrophobicContact CD2-CB 4.29Å; F18-F128 HydrophobicContact CB-CE1 4.47Å; F18-F128 HydrophobicContact CD1-CE1 4Å; F18-F128 AromaticContact CD2-CD1 3.94Å; F18-F128 HydrophobicContact CD2-CD1 3.94Å; F18-F128 AromaticContact CD2-CE1 3.78Å; F18-F128 HydrophobicContact CD2-CE1 3.78Å; F18-F128 HydrophobicContact CE1-CE1 4.16Å; F18-F128 AromaticContact CE2-CD1 3.88Å; F18-F128 HydrophobicContact CE2-CD1 3.88Å; F18-F128 AromaticContact CE2-CE1 3.94Å; F18-F128 HydrophobicContact CE2-CE1 3.94Å; F18-F128 HydrophobicContact CG-CD1 4.44Å; F18-F128 AromaticContact CG-CE1 3.81Å; F18-F128 HydrophobicContact CG-CE1 3.81Å; F18-F128 HydrophobicContact CZ-CD1 4.34Å; F18-F128 HydrophobicContact CZ-CE1 4.14Å; F18-V132 HydrophobicContact CE1-CB 4.2Å; F18-V132 HydrophobicContact CE1-CG1 4.02Å; F18-V132 HydrophobicContact CE1-CG2 4.21Å; F18-V132 HydrophobicContact CZ-CB 4.17Å; F18-V132 HydrophobicContact CZ-CG1 4.44Å; F18-V132 HydrophobicContact CZ-CG2 4.26Å
19D95Very high82Confident75 Ų7557.2 Ų57.240%0.40134%0.342SS..EExtended strand (participates in β ladder)trans-130.8154.6173.463.9-35000111.5Y6 F7 V8Y6-D19 HydrophobicContact CE2-CB 4.14Å; F7-D19 CarbonylContact O-C 3.58Å; F7-D19 VanDerWaalsContact O-CA 3.24Å; F7-D19 WeakPolarHBondContact O-CA 3.45Å; V8-D19 HydrophobicContact CG2-CB 4.47Å
20L94.4Very high80.2Confident21 Ų2159.5 Ų59.511%0.1137%0.366CS..EExtended strand (participates in β ladder)trans-146.5118.7173.8175.969.1000109.9F7 F18 V132 A136F7-L20 HydrophobicContact CB-CB 4.4Å; F7-L20 HydrophobicContact CD1-CB 4.44Å; F7-L20 PolarHBondContact N-O 2.88Å; F7-L20 PolarHBondContact O-N 2.93Å; F18-L20 HydrophobicContact CE1-CB 3.88Å; F18-L20 HydrophobicContact CZ-CB 4.25Å; L20-V132 HydrophobicContact CD2-CG1 3.82Å; L20-A136 HydrophobicContact CD2-CB 3.99Å
21D92Very high78.4Confident59 Ų5967.3 Ų67.332%0.31640%0.402SS..EExtended strand (participates in β ladder)trans-91.4114.7168-172.629.7000109.9Y6 N23Y6-D21 HydrophobicContact CD2-CB 4.29Å; D21-N23 PolarHBondContact OD1-ND2 3.4Å; D21-N23 PolarHBondContact OD2-ND2 3.44Å
22Y90.5Very high76.8Confident18 Ų1875.5 Ų75.57%0.07144%0.437CS..EExtended strand (participates in β ladder)trans-113.694.6179.9-172.6-90000109.8Y5 A136 N137 F140 G141Y5-Y22 AromaticContact CD2-CD1 3.89Å; Y5-Y22 HydrophobicContact CD2-CD1 3.89Å; Y5-Y22 PolarHBondContact N-O 3.37Å; Y5-Y22 CarbonylContact O-C 3.58Å; Y5-Y22 WeakPolarHBondContact O-CA 3.29Å; Y5-Y22 PolarHBondContact O-N 3.32Å; Y22-A136 HydrophobicContact CD2-CB 3.59Å; Y22-A136 HydrophobicContact CE2-CB 3.92Å; Y22-A136 HydrophobicContact CG-CB 4.08Å; Y22-N137 WeakPolarHBondContact CE2-OD1 3.28Å; Y22-N137 PolarHBondContact OH-OD1 3.31Å; Y22-F140 HydrophobicContact CD1-CB 3.93Å; Y22-F140 HydrophobicContact CD1-CD2 4.36Å; Y22-F140 HydrophobicContact CE1-CB 3.58Å; Y22-G141 WeakPolarHBondContact OH-CA 3.5Å
23N82.3Confident75.7Confident39 Ų3973.4 Ų73.421%0.20943%0.425CS..  trans-115.1146.5177.1-72.5-46.8000110.8R4 D21R4-N23 WeakPolarHBondContact CB-OD1 3.48Å; R4-N23 WeakPolarHBondContact CG-OD1 3.25Å; D21-N23 PolarHBondContact OD1-ND2 3.4Å; D21-N23 PolarHBondContact OD2-ND2 3.44Å
24S64.1Low74.5Confident33 Ų3370.5 Ų70.523%0.23142%0.415CS..  trans-52.1129.9172.4-172.30000110G26 K27S24-G26 PolarHBondContact O-N 2.97Å; S24-K27 PolarHBondContact O-N 3.13Å
25P54.6Low73.6Confident128 Ų12872.5 Ų72.583%0.83143%0.426SS*.THydrogen-bonded Turntrans-58.1116.4178.722.7-31.4000108.9
26G53.3Low72.9Confident78 Ų7873.4 Ų73.480%0.80444%0.436SS*.THydrogen-bonded Turntrans122.3-3.9179.300000116.7S24S24-G26 PolarHBondContact O-N 2.97Å
27K54Low72.5Confident116 Ų11672.3 Ų72.350%0.50442%0.422SS..SBendtrans-97.1-8-176.2-84.1-172.3177.3178.40117.5S24S24-K27 PolarHBondContact O-N 3.13Å
28S49.6Very low72.3Confident52 Ų5277.7 Ų77.736%0.36445%0.446SS..  trans-164.582.2-179.1460000113.5
29T46Very low72.1Confident151 Ų15180.6 Ų80.693%0.92646%0.462SS*.  trans-103.999.3161.650.60000108.2
30G60.9Low72Confident48 Ų4877.2 Ų77.250%0.49544%0.444SS..SBendtrans148.7178.4176.500000113.7K32 A33G30-K32 PolarHBondContact O-N 3.46Å; G30-A33 WeakPolarHBondContact O-CB 3.37Å; G30-A33 PolarHBondContact O-N 3.26Å
31E58.2Low72Confident171 Ų17179.7 Ų79.780%0.79946%0.455SS*.Hα-helixtrans-49.8-31.8-178.3-65.9172151.600113.9A33 D34 D35E31-A33 PolarHBondContact O-N 3.44Å; E31-D34 PolarHBondContact O-N 3.23Å; E31-D34 VanDerWaalsContact O-N 3.12Å; E31-D35 PolarHBondContact O-N 2.96Å
32K60.7Low72.2Confident172 Ų17283.4 Ų83.475%0.74847%0.468SS*.Hα-helixtrans-62.1-23.4175.8-67.2-172.2177.3-177.50113.9G30 C36G30-K32 PolarHBondContact O-N 3.46Å; K32-C36 PolarHBondContact O-N 3.05Å; K32-C36 PolarHBondContact O-SG 3.06Å
33A68.1Low72.5Confident20 Ų2082.7 Ų82.717%0.16547%0.466CS..Hα-helixtrans-67.8-43.3175.100000110.9G30 E31 C36 L37G30-A33 WeakPolarHBondContact O-CB 3.37Å; G30-A33 PolarHBondContact O-N 3.26Å; E31-A33 PolarHBondContact O-N 3.44Å; A33-C36 WeakPolarHBondContact O-CB 3.26Å; A33-C36 PolarHBondContact O-N 3.49Å; A33-L37 PolarHBondContact O-N 3.33Å
34D66.4Low73.2Confident98 Ų9881 Ų8152%0.52446%0.457SS..Hα-helixtrans-68.2-40.8-178.1-69.8-13.7000111E31 C36 L37 H38E31-D34 PolarHBondContact O-N 3.23Å; E31-D34 VanDerWaalsContact O-N 3.12Å; D34-C36 VanDerWaalsContact C-N 3.31Å; D34-C36 PolarHBondContact O-N 3.39Å; D34-L37 WeakPolarHBondContact O-CB 3.49Å; D34-L37 PolarHBondContact O-N 3.01Å; D34-L37 VanDerWaalsContact O-N 3.1Å; D34-H38 PolarHBondContact O-CD2 3.3Å; D34-H38 PolarHBondContact O-N 3.09Å
35D74.2Confident74.7Confident114 Ų11484.9 Ų84.961%0.6147%0.472SS*.Hα-helixtrans-60.3-41.2173.9-73.6-19.3000112E31 L37 L39E31-D35 PolarHBondContact O-N 2.96Å; D35-L37 VanDerWaalsContact C-N 3.31Å; D35-L37 PolarHBondContact O-N 3.26Å; D35-L39 PolarHBondContact O-N 2.88Å; D35-L39 VanDerWaalsContact O-N 3.15Å
36C79.8Confident76.7Confident65 Ų6581 Ų8144%0.43945%0.451SS..Hα-helixtrans-65-37.6175.6-67.10000111.3K32 A33 D34 L39 N40K32-C36 PolarHBondContact O-N 3.05Å; K32-C36 PolarHBondContact O-SG 3.06Å; A33-C36 WeakPolarHBondContact O-CB 3.26Å; A33-C36 PolarHBondContact O-N 3.49Å; D34-C36 VanDerWaalsContact C-N 3.31Å; D34-C36 PolarHBondContact O-N 3.39Å; C36-L39 PolarHBondContact O-N 3.18Å; C36-N40 WeakPolarHBondContact O-CB 3.27Å; C36-N40 PolarHBondContact O-N 2.85Å; C36-N40 PolarHBondContact O-ND2 3.09Å; C36-N40 PolarHBondContact O-OD1 3.41Å
37L86.6Confident78.7Confident43 Ų4377.3 Ų77.323%0.22541%0.412CS..Hα-helixtrans-65.4-45179-177.164.5000111.6Y6 A33 D34 D35 L39 N40 Q41Y6-L37 HydrophobicContact CD2-CD1 4.07Å; Y6-L37 HydrophobicContact CE2-CD1 3.6Å; A33-L37 PolarHBondContact O-N 3.33Å; D34-L37 WeakPolarHBondContact O-CB 3.49Å; D34-L37 PolarHBondContact O-N 3.01Å; D34-L37 VanDerWaalsContact O-N 3.1Å; D35-L37 VanDerWaalsContact C-N 3.31Å; D35-L37 PolarHBondContact O-N 3.26Å; L37-L39 VanDerWaalsContact C-N 3.32Å; L37-L39 PolarHBondContact O-N 2.83Å; L37-N40 PolarHBondContact O-N 2.95Å; L37-Q41 WeakPolarHBondContact O-CG 3.41Å; L37-Q41 PolarHBondContact O-N 3.01Å
38H90.4Very high80.7Confident116 Ų11672 Ų7254%0.53739%0.39SS..Hα-helixtrans-62-39.8176.4-69.4-49000112.3D34 Q41 F42D34-H38 PolarHBondContact O-CD2 3.3Å; D34-H38 PolarHBondContact O-N 3.09Å; H38-Q41 PolarHBondContact O-N 3.44Å; H38-F42 PolarHBondContact O-N 2.87Å
39L92.9Very high82.8Confident75 Ų7575.2 Ų75.239%0.39340%0.402SS..Hα-helixtrans-64-43.8174.2-179.361.7000111.6D35 C36 L37 Q41 F42 I43 F69D35-L39 PolarHBondContact O-N 2.88Å; D35-L39 VanDerWaalsContact O-N 3.15Å; C36-L39 PolarHBondContact O-N 3.18Å; L37-L39 VanDerWaalsContact C-N 3.32Å; L37-L39 PolarHBondContact O-N 2.83Å; L39-Q41 VanDerWaalsContact C-N 3.34Å; L39-Q41 PolarHBondContact O-N 3.32Å; L39-F42 WeakPolarHBondContact O-CB 3.48Å; L39-F42 PolarHBondContact O-N 2.74Å; L39-I43 HydrophobicContact CD1-CD1 4.07Å; L39-I43 HydrophobicContact CD1-CG1 4.26Å; L39-I43 HydrophobicContact CD2-CD1 4.48Å; L39-I43 HydrophobicContact CG-CD1 3.81Å; L39-I43 HydrophobicContact CG-CG1 4.44Å; L39-I43 VanDerWaalsContact O-CG1 3.28Å; L39-I43 WeakPolarHBondContact O-CG1 3.3Å; L39-I43 PolarHBondContact O-N 3.03Å; L39-F69 HydrophobicContact CD1-CE1 4.18Å
40N93.8Very high85.1Confident4 Ų471.5 Ų71.52%0.02138%0.376CS..Hα-helixtrans-62-41.7178.2-69.1-12.1000111.8Y6 C36 L37 I43 A44 W72 L88Y6-N40 HydrophobicContact CD1-CB 3.74Å; Y6-N40 HydrophobicContact CD2-CB 4.08Å; Y6-N40 HydrophobicContact CE1-CB 4.14Å; Y6-N40 HydrophobicContact CE2-CB 4.46Å; Y6-N40 HydrophobicContact CG-CB 3.69Å; C36-N40 WeakPolarHBondContact O-CB 3.27Å; C36-N40 PolarHBondContact O-N 2.85Å; C36-N40 PolarHBondContact O-ND2 3.09Å; C36-N40 PolarHBondContact O-OD1 3.41Å; L37-N40 PolarHBondContact O-N 2.95Å; N40-I43 PolarHBondContact O-N 2.94Å; N40-A44 WeakPolarHBondContact O-CB 3.32Å; N40-A44 PolarHBondContact O-N 3.16Å; N40-W72 WeakPolarHBondContact OD1-CZ2 3.26Å; N40-L88 HydrophobicContact CB-CD2 3.98Å; N40-L88 WeakPolarHBondContact O-CD2 3.4Å
41Q94.7Very high86.7Confident74 Ų7469.2 Ų69.235%0.34635%0.352SS..Hα-helixtrans-60.3-45.4173.9-73.7170.2-4.600111.7Y6 L37 H38 L39 A44 H45Y6-Q41 VanDerWaalsContact OH-CG 3.24Å; Y6-Q41 WeakPolarHBondContact OH-CG 3.46Å; L37-Q41 WeakPolarHBondContact O-CG 3.41Å; L37-Q41 PolarHBondContact O-N 3.01Å; H38-Q41 PolarHBondContact O-N 3.44Å; L39-Q41 VanDerWaalsContact C-N 3.34Å; L39-Q41 PolarHBondContact O-N 3.32Å; Q41-A44 PolarHBondContact O-N 3.16Å; Q41-H45 WeakPolarHBondContact O-CB 3.32Å; Q41-H45 PolarHBondContact O-N 2.79Å
42F95.5Very high88.3Confident136 Ų13663.3 Ų63.360%0.59633%0.326SS*.Hα-helixtrans-61.4-48.6177.9177.1-99.3000112.1H38 L39 A44 H45 A46H38-F42 PolarHBondContact O-N 2.87Å; L39-F42 WeakPolarHBondContact O-CB 3.48Å; L39-F42 PolarHBondContact O-N 2.74Å; F42-A44 PolarHBondContact O-N 3.37Å; F42-H45 PolarHBondContact O-N 3.17Å; F42-A46 WeakPolarHBondContact O-CB 3.26Å; F42-A46 PolarHBondContact O-N 2.92Å
43I96.1Very high89.7Confident4 Ų460.4 Ų60.42%0.02132%0.318CS..Hα-helixtrans-61-45.6178.4-65.2162000110.4L39 N40 H45 A46 A47 F69 W72 V74 L88L39-I43 HydrophobicContact CD1-CD1 4.07Å; L39-I43 HydrophobicContact CD1-CG1 4.26Å; L39-I43 HydrophobicContact CD2-CD1 4.48Å; L39-I43 HydrophobicContact CG-CD1 3.81Å; L39-I43 HydrophobicContact CG-CG1 4.44Å; L39-I43 VanDerWaalsContact O-CG1 3.28Å; L39-I43 WeakPolarHBondContact O-CG1 3.3Å; L39-I43 PolarHBondContact O-N 3.03Å; N40-I43 PolarHBondContact O-N 2.94Å; I43-H45 PolarHBondContact O-N 3.39Å; I43-A46 PolarHBondContact O-N 3.26Å; I43-A47 PolarHBondContact O-N 2.94Å; I43-A47 VanDerWaalsContact O-N 3.09Å; I43-F69 HydrophobicContact CD1-CB 4.45Å; I43-F69 HydrophobicContact CD1-CD1 3.33Å; I43-F69 HydrophobicContact CD1-CE1 3.82Å; I43-F69 HydrophobicContact CD1-CG 4.15Å; I43-F69 HydrophobicContact CG1-CB 4.32Å; I43-F69 HydrophobicContact CG1-CD1 3.57Å; I43-F69 HydrophobicContact CG1-CE1 4.01Å; I43-F69 HydrophobicContact CG1-CG 4Å; I43-F69 HydrophobicContact CG2-CB 4.05Å; I43-W72 HydrophobicContact CD1-CG 4.3Å; I43-V74 HydrophobicContact CG2-CG2 3.94Å; I43-L88 HydrophobicContact CB-CD2 3.86Å; I43-L88 HydrophobicContact CD1-CD2 4.39Å; I43-L88 HydrophobicContact CG2-CD2 3.79Å; I43-L88 HydrophobicContact CG2-CG 4.11Å
44A96.8Very high90.7Very high3 Ų361.4 Ų61.43%0.02532%0.319CS..Hα-helixtrans-62.2-42.3179.800000112.1Y6 V8 N40 Q41 F42 A47 I86 L88Y6-A44 HydrophobicContact CE1-CB 4.05Å; V8-A44 HydrophobicContact CG1-CB 3.91Å; N40-A44 WeakPolarHBondContact O-CB 3.32Å; N40-A44 PolarHBondContact O-N 3.16Å; Q41-A44 PolarHBondContact O-N 3.16Å; F42-A44 PolarHBondContact O-N 3.37Å; A44-A47 PolarHBondContact O-N 3.13Å; A44-I86 HydrophobicContact CB-CG2 4.13Å; A44-I86 WeakPolarHBondContact O-CD1 3.49Å; A44-L88 HydrophobicContact CB-CD1 3.8Å
45H96.3Very high91.5Very high115 Ų11560.4 Ų60.453%0.53231%0.314SS..Hα-helixtrans-66.8-43177-172.9-71.4000111.9Q41 F42 I43 A47 L48Q41-H45 WeakPolarHBondContact O-CB 3.32Å; Q41-H45 PolarHBondContact O-N 2.79Å; F42-H45 PolarHBondContact O-N 3.17Å; I43-H45 PolarHBondContact O-N 3.39Å; H45-A47 PolarHBondContact O-N 3.26Å; H45-L48 WeakPolarHBondContact O-CB 3.42Å; H45-L48 PolarHBondContact O-N 2.92Å; H45-L48 VanDerWaalsContact O-N 3.16Å
46A96.3Very high91.9Very high47 Ų4765.9 Ų65.939%0.38833%0.326SS..Hα-helixtrans-62.3-30.7178.600000112.8F42 I43 L48F42-A46 WeakPolarHBondContact O-CB 3.26Å; F42-A46 PolarHBondContact O-N 2.92Å; I43-A46 PolarHBondContact O-N 3.26Å; A46-L48 VanDerWaalsContact C-N 3.27Å; A46-L48 PolarHBondContact O-N 3.42Å
47A96.3Very high92.1Very high0 Ų067.7 Ų67.70%034%0.339CS..THydrogen-bonded Turntrans-75.4-9.7178.700000114.3I43 A44 H45 D49 M50 V51 D67 V74I43-A47 PolarHBondContact O-N 2.94Å; I43-A47 VanDerWaalsContact O-N 3.09Å; A44-A47 PolarHBondContact O-N 3.13Å; H45-A47 PolarHBondContact O-N 3.26Å; A47-D49 VanDerWaalsContact C-N 3.29Å; A47-D49 PolarHBondContact O-N 3.17Å; A47-M50 WeakPolarHBondContact O-CB 3.21Å; A47-M50 PolarHBondContact O-N 3Å; A47-V51 WeakPolarHBondContact O-CG2 3.33Å; A47-V51 PolarHBondContact O-N 3.48Å; A47-V51 VanDerWaalsContact O-N 3.08Å; A47-D67 HydrophobicContact CB-CB 4.33Å; A47-V74 HydrophobicContact CB-CB 4.39Å; A47-V74 HydrophobicContact CB-CG1 3.69Å; A47-V74 HydrophobicContact CB-CG2 4.39Å
48L95.9Very high91.8Very high5 Ų570.1 Ų70.13%0.02635%0.348CS..Hα-helixtrans-59.7-38.7-179.3-75.6169.3000112.4C10 D14 H45 A46 M50 V51 D52 R84 I86C10-L48 HydrophobicContact CB-CD2 4.14Å; D14-L48 HydrophobicContact CB-CD1 3.99Å; H45-L48 WeakPolarHBondContact O-CB 3.42Å; H45-L48 PolarHBondContact O-N 2.92Å; H45-L48 VanDerWaalsContact O-N 3.16Å; A46-L48 VanDerWaalsContact C-N 3.27Å; A46-L48 PolarHBondContact O-N 3.42Å; L48-M50 VanDerWaalsContact C-N 3.32Å; L48-M50 PolarHBondContact O-N 2.82Å; L48-V51 WeakPolarHBondContact O-CB 3.37Å; L48-V51 PolarHBondContact O-N 3.22Å; L48-V51 VanDerWaalsContact O-N 3.11Å; L48-D52 PolarHBondContact O-N 3.04Å; L48-R84 HydrophobicContact CD2-CB 4.34Å; L48-I86 HydrophobicContact CD2-CD1 3.53Å; L48-I86 HydrophobicContact CG-CD1 4.02Å
49D93.5Very high91.6Very high118 Ų11869.8 Ų69.863%0.63137%0.366SS*.Hα-helixtrans-60.2-44.1177.4-64.7-20000111A47 V51 D52 D53A47-D49 VanDerWaalsContact C-N 3.29Å; A47-D49 PolarHBondContact O-N 3.17Å; D49-V51 VanDerWaalsContact C-N 3.31Å; D49-V51 PolarHBondContact O-N 3.08Å; D49-D52 PolarHBondContact O-N 3.31Å; D49-D53 PolarHBondContact O-N 2.9Å
50M93.4Very high91.5Very high74 Ų7471.9 Ų71.937%0.36538%0.377SS..Hα-helixtrans-64.6-35.4176.7-64.4-61.3-63.700112A47 L48 H54 D67A47-M50 WeakPolarHBondContact O-CB 3.21Å; A47-M50 PolarHBondContact O-N 3Å; L48-M50 VanDerWaalsContact C-N 3.32Å; L48-M50 PolarHBondContact O-N 2.82Å; M50-H54 PolarHBondContact O-N 3.38Å; M50-H54 PolarHBondContact O-ND1 3.01Å; M50-D67 HydrophobicContact CG-CB 4.35Å
51V94.3Very high91.4Very high0 Ų074.7 Ų74.70%039%0.394CS..Hα-helixtrans-65.7-41.9175.8174.50000110.7A47 L48 D49 H54 L55 L63 V66 A76 I78 R84A47-V51 WeakPolarHBondContact O-CG2 3.33Å; A47-V51 PolarHBondContact O-N 3.48Å; A47-V51 VanDerWaalsContact O-N 3.08Å; L48-V51 WeakPolarHBondContact O-CB 3.37Å; L48-V51 PolarHBondContact O-N 3.22Å; L48-V51 VanDerWaalsContact O-N 3.11Å; D49-V51 VanDerWaalsContact C-N 3.31Å; D49-V51 PolarHBondContact O-N 3.08Å; V51-H54 WeakPolarHBondContact O-CB 3.3Å; V51-H54 PolarHBondContact O-N 2.91Å; V51-L55 PolarHBondContact O-N 3.07Å; V51-L63 HydrophobicContact CG1-CD1 4.17Å; V51-V66 HydrophobicContact CG2-CG2 3.95Å; V51-A76 HydrophobicContact CG1-CB 4.35Å; V51-A76 HydrophobicContact CG2-CB 3.62Å; V51-I78 HydrophobicContact CG1-CD1 3.55Å; V51-I78 HydrophobicContact CG1-CG1 3.93Å; V51-R84 HydrophobicContact CG1-CB 4.47Å; V51-R84 HydrophobicContact CG1-CG 3.97Å
52D91.7Very high91.5Very high47 Ų4772.3 Ų72.325%0.25138%0.382SS..Hα-helixtrans-70.9-33.1-179.7-72.2-13.2000112.2L48 D49 H54 L55 R84L48-D52 PolarHBondContact O-N 3.04Å; D49-D52 PolarHBondContact O-N 3.31Å; D52-H54 VanDerWaalsContact C-N 3.29Å; D52-H54 PolarHBondContact O-N 3.08Å; D52-L55 WeakPolarHBondContact O-CB 3.41Å; D52-L55 PolarHBondContact O-N 3Å; D52-R84 IonicContact OD1-NH1 2.84Å; D52-R84 PolarHBondContact OD1-NH1 3.21Å; D52-R84 IonicContact OD2-NH1 3.36Å; D52-R84 PolarHBondContact OD2-NH1 2.94Å; D52-R84 VanDerWaalsContact OD2-NH1 3.17Å
53D91.2Very high91.4Very high110 Ų11066 Ų6659%0.58836%0.355SS*.Hα-helixtrans-62.1-37.9170.8-80-12.7000112.1D49 L55 W56D49-D53 PolarHBondContact O-N 2.9Å; D53-L55 VanDerWaalsContact C-N 3.33Å; D53-L55 PolarHBondContact O-N 3.17Å; D53-W56 PolarHBondContact O-N 3.23Å
54H87.4Confident91.3Very high41 Ų4170.3 Ų70.319%0.1937%0.373CS..Hα-helixtrans-69.7-28.4178.1-78.984.1000113.3M50 V51 D52 W56 S57 K58 L63M50-H54 PolarHBondContact O-N 3.38Å; M50-H54 PolarHBondContact O-ND1 3.01Å; V51-H54 WeakPolarHBondContact O-CB 3.3Å; V51-H54 PolarHBondContact O-N 2.91Å; D52-H54 VanDerWaalsContact C-N 3.29Å; D52-H54 PolarHBondContact O-N 3.08Å; H54-W56 PolarHBondContact O-N 3.37Å; H54-S57 PolarHBondContact O-N 3.29Å; H54-S57 VanDerWaalsContact O-N 3.11Å; H54-K58 PolarHBondContact O-N 3.23Å; H54-L63 HydrophobicContact CB-CD1 3.66Å; H54-L63 HydrophobicContact CB-CD2 4.19Å; H54-L63 HydrophobicContact CB-CG 4.47Å
55L84.5Confident91.3Very high78 Ų7872.7 Ų72.741%0.40839%0.388SS..Hα-helixtrans-58.1-34.9175.9-86.2173.2000112.9V51 D52 D53 S57 I78V51-L55 PolarHBondContact O-N 3.07Å; D52-L55 WeakPolarHBondContact O-CB 3.41Å; D52-L55 PolarHBondContact O-N 3Å; D53-L55 VanDerWaalsContact C-N 3.33Å; D53-L55 PolarHBondContact O-N 3.17Å; L55-S57 VanDerWaalsContact C-N 3.28Å; L55-I78 HydrophobicContact CD1-CD1 3.95Å; L55-I78 HydrophobicContact CD2-CB 4.38Å; L55-I78 HydrophobicContact CD2-CD1 3.33Å; L55-I78 HydrophobicContact CD2-CG1 4.45Å; L55-I78 HydrophobicContact CD2-CG2 3.88Å; L55-I78 HydrophobicContact CG-CD1 3.33Å
56W82.3Confident91.2Very high229 Ų22967.8 Ų67.887%0.86737%0.366SS*.THydrogen-bonded Turntrans-77.4-17.4-179.2-63.2108.8000113.1D53 H54D53-W56 PolarHBondContact O-N 3.23Å; H54-W56 PolarHBondContact O-N 3.37Å
57S83.2Confident91.2Very high102 Ų10268.1 Ų68.171%0.71336%0.361SS*.THydrogen-bonded Turntrans-108.1-35.6-173.6-176.60000113.8H54 L55H54-S57 PolarHBondContact O-N 3.29Å; H54-S57 VanDerWaalsContact O-N 3.11Å; L55-S57 VanDerWaalsContact C-N 3.28Å
58K81.1Confident91.1Very high94 Ų9474.6 Ų74.641%0.40939%0.389SS..  trans-120.6134.4-172.4-66.7-178-176.6168.60111.7H54 L63H54-K58 PolarHBondContact O-N 3.23Å; K58-L63 HydrophobicContact CB-CD2 4.32Å
59A85.6Confident91.1Very high110 Ų11078 Ų7891%0.90940%0.404SS*.  trans-87.4-7.7174.200000113.5
60D90.6Very high91.1Very high119 Ų11978 Ų7864%0.63640%0.404SS*.  trans-73.9139.9179.9-71.4-36.1000111.4
61T93.2Very high90.9Very high62 Ų6281.2 Ų81.238%0.3842%0.418SS..SBendtrans-69.8-33.8175.552.70000112.2F77 I78T61-F77 HydrophobicContact CG2-CZ 4.42Å; T61-F77 CarbonylContact O-C 3.5Å; T61-F77 WeakPolarHBondContact O-CA 3.5Å; T61-F77 WeakPolarHBondContact O-CD2 3.19Å; T61-F77 WeakPolarHBondContact OG1-CE2 3.35Å; T61-I78 WeakPolarHBondContact CA-O 3.33Å; T61-I78 WeakPolarHBondContact CB-O 3.37Å; T61-I78 WeakPolarHBondContact CG2-O 3.48Å; T61-I78 PolarHBondContact O-N 3.31Å
62Y95.3Very high90.9Very high24 Ų2482.4 Ų82.49%0.09442%0.423CS..EExtended strand (participates in β ladder)trans-95.6115.3177.2178.9-128.6000110.8K64 A76 F77 E94 I97 K98 F101Y62-K64 HydrophobicContact CD1-CG 4.04Å; Y62-K64 HydrophobicContact CE1-CB 4.32Å; Y62-K64 HydrophobicContact CE1-CG 3.64Å; Y62-A76 WeakPolarHBondContact CD2-O 3.4Å; Y62-F77 HydrophobicContact CD2-CD2 4.4Å; Y62-E94 PolarHBondContact OH-O 3.49Å; Y62-I97 HydrophobicContact CE2-CG2 4.02Å; Y62-K98 HydrophobicContact CD1-CB 4.02Å; Y62-K98 HydrophobicContact CD1-CD 4.05Å; Y62-K98 HydrophobicContact CD1-CG 3.96Å; Y62-K98 HydrophobicContact CE1-CB 3.9Å; Y62-K98 HydrophobicContact CE1-CD 4.47Å; Y62-K98 HydrophobicContact CE1-CG 4.34Å; Y62-K98 HydrophobicContact CG-CB 4.43Å; Y62-K98 HydrophobicContact CG-CG 4.25Å; Y62-F101 AromaticContact CD2-CD2 3.87Å; Y62-F101 HydrophobicContact CD2-CD2 3.87Å; Y62-F101 HydrophobicContact CD2-CE2 4.12Å; Y62-F101 AromaticContact CE2-CD2 3.87Å; Y62-F101 HydrophobicContact CE2-CD2 3.87Å; Y62-F101 AromaticContact CE2-CE2 3.83Å; Y62-F101 HydrophobicContact CE2-CE2 3.83Å
63L94.2Very high91.2Very high3 Ų381.6 Ų81.62%0.01642%0.418CS..EExtended strand (participates in β ladder)trans-90.3-5.2-175.1-59.7-175.8000114.1V51 H54 K58 V66 A76 I78V51-L63 HydrophobicContact CG1-CD1 4.17Å; H54-L63 HydrophobicContact CB-CD1 3.66Å; H54-L63 HydrophobicContact CB-CD2 4.19Å; H54-L63 HydrophobicContact CB-CG 4.47Å; K58-L63 HydrophobicContact CB-CD2 4.32Å; L63-V66 HydrophobicContact CB-CG1 3.59Å; L63-V66 HydrophobicContact CD1-CG1 4.07Å; L63-A76 HydrophobicContact CB-CB 4.23Å; L63-A76 HydrophobicContact CD1-CB 4.09Å; L63-A76 PolarHBondContact N-O 2.76Å; L63-I78 HydrophobicContact CD1-CD1 3.52Å; L63-I78 HydrophobicContact CD1-CG1 3.92Å; L63-I78 HydrophobicContact CG-CD1 4.33Å; L63-I78 HydrophobicContact CG-CG1 4.41Å
64K94.5Very high91.4Very high95 Ų9576.4 Ų76.441%0.41339%0.39SS..EExtended strand (participates in β ladder)trans61.1-149.2-170-52.3179.7169.9-142.30110.9Y62 V66 S75 A76 E94Y62-K64 HydrophobicContact CD1-CG 4.04Å; Y62-K64 HydrophobicContact CE1-CB 4.32Å; Y62-K64 HydrophobicContact CE1-CG 3.64Å; K64-V66 PolarHBondContact O-N 3.3Å; K64-S75 CarbonylContact O-C 3.59Å; K64-S75 WeakPolarHBondContact O-CA 3.3Å; K64-S75 WeakPolarHBondContact O-CB 3.44Å; K64-S75 PolarHBondContact O-OG 3.44Å; K64-A76 PolarHBondContact O-N 3.49Å; K64-E94 WeakPolarHBondContact CE-OE2 3.37Å; K64-E94 IonicContact NZ-OE1 3.17Å; K64-E94 IonicContact NZ-OE2 2.65Å; K64-E94 PolarHBondContact NZ-OE2 3.05Å
65V95.5Very high91.9Very high54 Ų5474.4 Ų74.433%0.32738%0.381SS..EExtended strand (participates in β ladder)trans-73.6120174.7-177.70000108.9D67 L73 V74V65-D67 VanDerWaalsContact CG1-O 3.31Å; V65-D67 WeakPolarHBondContact CG1-O 3.48Å; V65-L73 HydrophobicContact CG1-CB 4.31Å; V65-L73 HydrophobicContact CG1-CD2 4.23Å; V65-L73 HydrophobicContact CG2-CB 4.38Å; V65-V74 CarbonylContact C-O 3.55Å; V65-V74 VanDerWaalsContact CA-O 3.27Å; V65-V74 WeakPolarHBondContact CA-O 3.48Å
66V95.1Very high92.5Very high12 Ų1270.7 Ų70.77%0.07336%0.362CS..EExtended strand (participates in β ladder)trans-103.9-25.2179.8-650000112.6V51 L63 K64 V74 A76V51-V66 HydrophobicContact CG2-CG2 3.95Å; L63-V66 HydrophobicContact CB-CG1 3.59Å; L63-V66 HydrophobicContact CD1-CG1 4.07Å; K64-V66 PolarHBondContact O-N 3.3Å; V66-V74 HydrophobicContact CG2-CB 4.45Å; V66-V74 HydrophobicContact CG2-CG1 4.15Å; V66-V74 WeakPolarHBondContact CG2-O 3.3Å; V66-V74 PolarHBondContact N-O 2.91Å; V66-A76 HydrophobicContact CG1-CB 3.92Å; V66-A76 HydrophobicContact CG2-CB 3.92Å
67D95.5Very high93.2Very high54 Ų5460.1 Ų60.129%0.28932%0.322SS..EExtended strand (participates in β ladder)trans-151.1165.2-179.4-167.418.8000111A47 M50 V65 V74A47-D67 HydrophobicContact CB-CB 4.33Å; M50-D67 HydrophobicContact CG-CB 4.35Å; V65-D67 VanDerWaalsContact CG1-O 3.31Å; V65-D67 WeakPolarHBondContact CG1-O 3.48Å; D67-V74 HydrophobicContact CB-CB 4.04Å; D67-V74 HydrophobicContact CB-CG2 4.22Å; D67-V74 PolarHBondContact N-O 2.99Å; D67-V74 PolarHBondContact O-N 3.14Å
68K95.8Very high93.8Very high136 Ų13655.8 Ų55.859%0.59129%0.29SS*.EExtended strand (participates in β ladder)trans-143.5126.9176.3179-180177.4-1790110.5N70 W72 L73K68-N70 WeakPolarHBondContact CE-O 3.42Å; K68-W72 CarbonylContact C-O 3.51Å; K68-W72 WeakPolarHBondContact CA-O 3.38Å; K68-L73 HydrophobicContact CB-CD2 4.35Å; K68-L73 HydrophobicContact CD-CD2 3.98Å; K68-L73 HydrophobicContact CG-CD2 4.02Å
69F95Very high94.3Very high77 Ų7751.5 Ų51.534%0.33827%0.272SS..EExtended strand (participates in β ladder)trans-125.1110.9173.3-177.1-97.3000111L39 I43 E71 W72L39-F69 HydrophobicContact CD1-CE1 4.18Å; I43-F69 HydrophobicContact CD1-CB 4.45Å; I43-F69 HydrophobicContact CD1-CD1 3.33Å; I43-F69 HydrophobicContact CD1-CE1 3.82Å; I43-F69 HydrophobicContact CD1-CG 4.15Å; I43-F69 HydrophobicContact CG1-CB 4.32Å; I43-F69 HydrophobicContact CG1-CD1 3.57Å; I43-F69 HydrophobicContact CG1-CE1 4.01Å; I43-F69 HydrophobicContact CG1-CG 4Å; I43-F69 HydrophobicContact CG2-CB 4.05Å; F69-E71 PolarHBondContact O-N 3.34Å; F69-W72 PolarHBondContact N-O 3.21Å; F69-W72 WeakPolarHBondContact O-CA 3.3Å; F69-W72 WeakPolarHBondContact O-CB 3.49Å; F69-W72 PolarHBondContact O-N 2.79Å
70N93.1Very high94.6Very high116 Ų11651.3 Ų51.362%0.6226%0.262SS*.THydrogen-bonded Turntrans52.6-119.5-172.7-62.3-37.6000111.6K68K68-N70 WeakPolarHBondContact CE-O 3.42Å
71E90.8Very high94.5Very high143 Ų14348.2 Ų48.267%0.66826%0.258SS*.THydrogen-bonded Turntrans-82.4-13.2176.7-58.5-62.9159.200112.9F69F69-E71 PolarHBondContact O-N 3.34Å
72W94Very high94.3Very high24 Ų2454.6 Ų54.69%0.09128%0.275CS..EExtended strand (participates in β ladder)trans-83.2119.7-178.7-65.3111.8000110.9R4 N40 I43 K68 F69 L88R4-W72 HydrophobicContact CB-CH2 3.69Å; R4-W72 HydrophobicContact CB-CZ3 4.02Å; N40-W72 WeakPolarHBondContact OD1-CZ2 3.26Å; I43-W72 HydrophobicContact CD1-CG 4.3Å; K68-W72 CarbonylContact C-O 3.51Å; K68-W72 WeakPolarHBondContact CA-O 3.38Å; F69-W72 PolarHBondContact N-O 3.21Å; F69-W72 WeakPolarHBondContact O-CA 3.3Å; F69-W72 WeakPolarHBondContact O-CB 3.49Å; F69-W72 PolarHBondContact O-N 2.79Å; W72-L88 HydrophobicContact CD2-CB 4.42Å; W72-L88 HydrophobicContact CE3-CB 3.82Å; W72-L88 HydrophobicContact CZ3-CB 4.17Å
73L96.5Very high94.3Very high31 Ų3154 Ų5416%0.16227%0.273CS..EExtended strand (participates in β ladder)trans-87.3136.1162.8-60174.1000108.5V65 K68 L88 H89V65-L73 HydrophobicContact CG1-CB 4.31Å; V65-L73 HydrophobicContact CG1-CD2 4.23Å; V65-L73 HydrophobicContact CG2-CB 4.38Å; K68-L73 HydrophobicContact CB-CD2 4.35Å; K68-L73 HydrophobicContact CD-CD2 3.98Å; K68-L73 HydrophobicContact CG-CD2 4.02Å; L73-L88 WeakPolarHBondContact O-CA 3.37Å; L73-H89 WeakPolarHBondContact CB-CE1 3.4Å; L73-H89 WeakPolarHBondContact CB-O 3.29Å; L73-H89 PolarHBondContact N-O 3.45Å; L73-H89 PolarHBondContact O-CD2 2.84Å; L73-H89 PolarHBondContact O-N 3.34Å
74V97.2Very high94.3Very high0 Ų054.4 Ų54.40%028%0.275CS..EExtended strand (participates in β ladder)trans-107.5111.7177.1-173.30000108.5I43 A47 V65 V66 D67 I86 L88I43-V74 HydrophobicContact CG2-CG2 3.94Å; A47-V74 HydrophobicContact CB-CB 4.39Å; A47-V74 HydrophobicContact CB-CG1 3.69Å; A47-V74 HydrophobicContact CB-CG2 4.39Å; V65-V74 CarbonylContact C-O 3.55Å; V65-V74 VanDerWaalsContact CA-O 3.27Å; V65-V74 WeakPolarHBondContact CA-O 3.48Å; V66-V74 HydrophobicContact CG2-CB 4.45Å; V66-V74 HydrophobicContact CG2-CG1 4.15Å; V66-V74 WeakPolarHBondContact CG2-O 3.3Å; V66-V74 PolarHBondContact N-O 2.91Å; D67-V74 HydrophobicContact CB-CB 4.04Å; D67-V74 HydrophobicContact CB-CG2 4.22Å; D67-V74 PolarHBondContact N-O 2.99Å; D67-V74 PolarHBondContact O-N 3.14Å; V74-I86 HydrophobicContact CG1-CG2 3.67Å; V74-L88 HydrophobicContact CG1-CD1 4.34Å; V74-L88 HydrophobicContact CG2-CD1 4.41Å; V74-L88 HydrophobicContact CG2-CG 4.42Å
75S97Very high94.5Very high0 Ų049.9 Ų49.90%026%0.255CS..EExtended strand (participates in β ladder)trans-103.7143.2172.4-730000112.2K64 L87 H89K64-S75 CarbonylContact O-C 3.59Å; K64-S75 WeakPolarHBondContact O-CA 3.3Å; K64-S75 WeakPolarHBondContact O-CB 3.44Å; K64-S75 PolarHBondContact O-OG 3.44Å; S75-L87 PolarHBondContact N-O 2.96Å; S75-L87 PolarHBondContact O-N 2.96Å; S75-H89 PolarHBondContact OG-NE2 2.87Å
76A97.3Very high94.6Very high0 Ų047.3 Ų47.30%024%0.239CC..EExtended strand (participates in β ladder)trans-126.6148.3-17600000113.2V51 Y62 L63 K64 V66 F85V51-A76 HydrophobicContact CG1-CB 4.35Å; V51-A76 HydrophobicContact CG2-CB 3.62Å; Y62-A76 WeakPolarHBondContact CD2-O 3.4Å; L63-A76 HydrophobicContact CB-CB 4.23Å; L63-A76 HydrophobicContact CD1-CB 4.09Å; L63-A76 PolarHBondContact N-O 2.76Å; K64-A76 PolarHBondContact O-N 3.49Å; V66-A76 HydrophobicContact CG1-CB 3.92Å; V66-A76 HydrophobicContact CG2-CB 3.92Å; A76-F85 CarbonylContact C-O 3.59Å; A76-F85 VanDerWaalsContact CA-O 3.3Å; A76-F85 WeakPolarHBondContact CA-O 3.49Å
77F96.7Very high94.7Very high6 Ų646.8 Ų46.83%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-136.2130.1171.3-179.6-80.6000109.5T61 Y62 T79 F85 F101 Y105T61-F77 HydrophobicContact CG2-CZ 4.42Å; T61-F77 CarbonylContact O-C 3.5Å; T61-F77 WeakPolarHBondContact O-CA 3.5Å; T61-F77 WeakPolarHBondContact O-CD2 3.19Å; T61-F77 WeakPolarHBondContact OG1-CE2 3.35Å; Y62-F77 HydrophobicContact CD2-CD2 4.4Å; F77-T79 HydrophobicContact CD1-CG2 4.25Å; F77-T79 HydrophobicContact CE1-CG2 4.03Å; F77-F85 HydrophobicContact CB-CB 3.99Å; F77-F85 HydrophobicContact CD1-CB 4.49Å; F77-F85 HydrophobicContact CD1-CD2 4.11Å; F77-F85 HydrophobicContact CD1-CG 4.42Å; F77-F85 PolarHBondContact N-O 2.85Å; F77-F85 WeakPolarHBondContact O-CB 3.34Å; F77-F85 PolarHBondContact O-N 3.48Å; F77-F101 HydrophobicContact CB-CB 3.88Å; F77-F101 HydrophobicContact CB-CD1 3.92Å; F77-F101 HydrophobicContact CB-CD2 3.58Å; F77-F101 HydrophobicContact CB-CE1 4.27Å; F77-F101 HydrophobicContact CB-CE2 3.95Å; F77-F101 HydrophobicContact CB-CG 3.54Å; F77-F101 HydrophobicContact CB-CZ 4.27Å; F77-F101 HydrophobicContact CD1-CB 4.43Å; F77-F101 HydrophobicContact CD2-CB 3.77Å; F77-F101 HydrophobicContact CD2-CD2 4.39Å; F77-F101 HydrophobicContact CD2-CG 4.31Å; F77-F101 HydrophobicContact CE2-CB 4.41Å; F77-F101 HydrophobicContact CG-CB 3.79Å; F77-F101 HydrophobicContact CG-CD2 4.32Å; F77-F101 HydrophobicContact CG-CG 4.05Å; F77-Y105 HydrophobicContact CE1-CD1 4.48Å; F77-Y105 HydrophobicContact CE1-CG 4.3Å
78I95.1Very high94.8Very high11 Ų1144.2 Ų44.26%0.05622%0.222CC..EExtended strand (participates in β ladder)trans-113.9126.5-178.5-53.8-179.2000109.3V51 L55 T61 L63 L83 R84V51-I78 HydrophobicContact CG1-CD1 3.55Å; V51-I78 HydrophobicContact CG1-CG1 3.93Å; L55-I78 HydrophobicContact CD1-CD1 3.95Å; L55-I78 HydrophobicContact CD2-CB 4.38Å; L55-I78 HydrophobicContact CD2-CD1 3.33Å; L55-I78 HydrophobicContact CD2-CG1 4.45Å; L55-I78 HydrophobicContact CD2-CG2 3.88Å; L55-I78 HydrophobicContact CG-CD1 3.33Å; T61-I78 WeakPolarHBondContact CA-O 3.33Å; T61-I78 WeakPolarHBondContact CB-O 3.37Å; T61-I78 WeakPolarHBondContact CG2-O 3.48Å; T61-I78 PolarHBondContact O-N 3.31Å; L63-I78 HydrophobicContact CD1-CD1 3.52Å; L63-I78 HydrophobicContact CD1-CG1 3.92Å; L63-I78 HydrophobicContact CG-CD1 4.33Å; L63-I78 HydrophobicContact CG-CG1 4.41Å; I78-L83 WeakPolarHBondContact CA-O 3.49Å; I78-R84 HydrophobicContact CG1-CG 4.47Å
79T93.4Very high94.7Very high5 Ų537.8 Ų37.83%0.03119%0.194CC..  trans-84.1154.3177.570.90000110.5F77 G81 R82 L83 F85 Y105F77-T79 HydrophobicContact CD1-CG2 4.25Å; F77-T79 HydrophobicContact CE1-CG2 4.03Å; T79-G81 PolarHBondContact O-N 2.77Å; T79-G81 PolarHBondContact OG1-N 3.34Å; T79-R82 PolarHBondContact O-N 3.42Å; T79-L83 HydrophobicContact CG2-CB 4.03Å; T79-L83 PolarHBondContact N-O 2.91Å; T79-L83 VanDerWaalsContact OG1-CB 3.26Å; T79-L83 WeakPolarHBondContact OG1-CB 3.49Å; T79-L83 PolarHBondContact OG1-N 3.24Å; T79-L83 PolarHBondContact OG1-O 3.27Å; T79-F85 HydrophobicContact CG2-CD1 4.38Å; T79-F85 HydrophobicContact CG2-CE1 4Å; T79-F85 HydrophobicContact CG2-CZ 4.13Å; T79-Y105 HydrophobicContact CG2-CD2 3.4Å; T79-Y105 HydrophobicContact CG2-CE2 3.4Å; T79-Y105 VanDerWaalsContact CG2-CE2 3.4Å; T79-Y105 HydrophobicContact CG2-CG 4.26Å
80P90.1Very high94.6Very high106 Ų10636.9 Ų36.969%0.68819%0.193SC*.THydrogen-bonded Turntrans-54.6-23.8170.6-27.434.8000114.3R82P80-R82 PolarHBondContact O-N 3.11Å
81G88.6Confident94.3Very high53 Ų5334.5 Ų34.555%0.54618%0.178SC..THydrogen-bonded Turntrans-82.812.6175.100000114.8T79 L83T79-G81 PolarHBondContact O-N 2.77Å; T79-G81 PolarHBondContact OG1-N 3.34Å; G81-L83 PolarHBondContact O-N 3.47Å
82R89.7Confident93.9Very high197 Ų19731.9 Ų31.974%0.74318%0.176SC*.SBendtrans59.823.2-176.5-59.8-171.1176.1-173.5-2.4115.4T79 P80T79-R82 PolarHBondContact O-N 3.42Å; P80-R82 PolarHBondContact O-N 3.11Å
83L94.4Very high93.7Very high10 Ų1032.7 Ų32.75%0.05218%0.182CC..  trans-79.1138.8164.5-54.2168.2000109.6L17 I78 T79 G81 F85 Y108L17-L83 HydrophobicContact CD1-CD2 3.9Å; I78-L83 WeakPolarHBondContact CA-O 3.49Å; T79-L83 HydrophobicContact CG2-CB 4.03Å; T79-L83 PolarHBondContact N-O 2.91Å; T79-L83 VanDerWaalsContact OG1-CB 3.26Å; T79-L83 WeakPolarHBondContact OG1-CB 3.49Å; T79-L83 PolarHBondContact OG1-N 3.24Å; T79-L83 PolarHBondContact OG1-O 3.27Å; G81-L83 PolarHBondContact O-N 3.47Å; L83-F85 HydrophobicContact CB-CD1 4.47Å; L83-F85 HydrophobicContact CB-CE1 4.17Å; L83-Y108 HydrophobicContact CD1-CD1 3.83Å; L83-Y108 HydrophobicContact CD1-CD2 4.43Å; L83-Y108 HydrophobicContact CD1-CE1 3.16Å; L83-Y108 HydrophobicContact CD1-CE2 3.83Å; L83-Y108 HydrophobicContact CD1-CG 4.44Å; L83-Y108 VanDerWaalsContact CD1-OH 3.3Å; L83-Y108 WeakPolarHBondContact CD1-OH 3.44Å
84R95.9Very high93.5Very high13 Ų1334.8 Ų34.85%0.04919%0.191CC..EExtended strand (participates in β ladder)trans-109.6113.6-179.6-69.4161.8-73.6-176.76.5108.1C10 G11 D14 L48 V51 D52 I78C10-R84 HydrophobicContact CB-CB 4.24Å; C10-R84 PolarHBondContact N-O 3.3Å; C10-R84 PolarHBondContact O-N 2.93Å; G11-R84 PolarHBondContact O-NH2 2.81Å; D14-R84 IonicContact OD1-CZ 2.82Å; D14-R84 IonicContact OD1-NH1 2.76Å; D14-R84 PolarHBondContact OD1-NH1 3.41Å; D14-R84 IonicContact OD1-NH2 3.91Å; D14-R84 PolarHBondContact OD1-NH2 3.42Å; L48-R84 HydrophobicContact CD2-CB 4.34Å; V51-R84 HydrophobicContact CG1-CB 4.47Å; V51-R84 HydrophobicContact CG1-CG 3.97Å; D52-R84 IonicContact OD1-NH1 2.84Å; D52-R84 PolarHBondContact OD1-NH1 3.21Å; D52-R84 IonicContact OD2-NH1 3.36Å; D52-R84 PolarHBondContact OD2-NH1 2.94Å; D52-R84 VanDerWaalsContact OD2-NH1 3.17Å; I78-R84 HydrophobicContact CG1-CG 4.47Å
85F97.7Very high93.4Very high0 Ų039.8 Ų39.80%022%0.217CC..EExtended strand (participates in β ladder)trans-94.9120.6175-76.217.3000107F7 I9 A76 F77 T79 L83 F101 T104 Y105F7-F85 HydrophobicContact CE2-CB 3.92Å; F7-F85 HydrophobicContact CE2-CD2 4.14Å; F7-F85 HydrophobicContact CE2-CG 4.07Å; F7-F85 HydrophobicContact CZ-CB 4.43Å; F7-F85 AromaticContact CZ-CD2 3.97Å; F7-F85 HydrophobicContact CZ-CD2 3.97Å; F7-F85 HydrophobicContact CZ-CE2 4.37Å; F7-F85 HydrophobicContact CZ-CG 4.08Å; I9-F85 HydrophobicContact CB-CD1 4.25Å; I9-F85 HydrophobicContact CB-CE1 4.22Å; I9-F85 HydrophobicContact CD1-CE1 3.92Å; I9-F85 HydrophobicContact CD1-CZ 4.03Å; I9-F85 HydrophobicContact CG1-CD1 3.87Å; I9-F85 HydrophobicContact CG1-CE1 3.75Å; I9-F85 HydrophobicContact CG1-CG 4.49Å; I9-F85 HydrophobicContact CG1-CZ 4.26Å; I9-F85 HydrophobicContact CG2-CD1 3.91Å; I9-F85 HydrophobicContact CG2-CE1 3.61Å; A76-F85 CarbonylContact C-O 3.59Å; A76-F85 VanDerWaalsContact CA-O 3.3Å; A76-F85 WeakPolarHBondContact CA-O 3.49Å; F77-F85 HydrophobicContact CB-CB 3.99Å; F77-F85 HydrophobicContact CD1-CB 4.49Å; F77-F85 HydrophobicContact CD1-CD2 4.11Å; F77-F85 HydrophobicContact CD1-CG 4.42Å; F77-F85 PolarHBondContact N-O 2.85Å; F77-F85 WeakPolarHBondContact O-CB 3.34Å; F77-F85 PolarHBondContact O-N 3.48Å; T79-F85 HydrophobicContact CG2-CD1 4.38Å; T79-F85 HydrophobicContact CG2-CE1 4Å; T79-F85 HydrophobicContact CG2-CZ 4.13Å; L83-F85 HydrophobicContact CB-CD1 4.47Å; L83-F85 HydrophobicContact CB-CE1 4.17Å; F85-F101 HydrophobicContact CB-CD1 3.84Å; F85-F101 HydrophobicContact CB-CE1 3.78Å; F85-F101 AromaticContact CD2-CD1 3.97Å; F85-F101 HydrophobicContact CD2-CD1 3.97Å; F85-F101 HydrophobicContact CG-CD1 4.44Å; F85-T104 HydrophobicContact CE2-CG2 4.17Å; F85-Y105 HydrophobicContact CE2-CD2 4.49Å; F85-Y105 HydrophobicContact CZ-CD2 4.22Å
86I97.7Very high93.3Very high0 Ų044.9 Ų44.90%024%0.237CC..EExtended strand (participates in β ladder)trans-117.6133.7-179.7-63165.5000108.3F7 V8 A44 L48 V74 L88F7-I86 CarbonylContact C-O 3.56Å; F7-I86 WeakPolarHBondContact CA-O 3.1Å; F7-I86 VanDerWaalsContact CD2-O 3.29Å; F7-I86 WeakPolarHBondContact CD2-O 3.45Å; V8-I86 HydrophobicContact CG1-CB 3.7Å; V8-I86 HydrophobicContact CG1-CD1 4.42Å; V8-I86 HydrophobicContact CG1-CG2 4.31Å; V8-I86 PolarHBondContact N-O 3.16Å; V8-I86 PolarHBondContact O-N 3.19Å; A44-I86 HydrophobicContact CB-CG2 4.13Å; A44-I86 WeakPolarHBondContact O-CD1 3.49Å; L48-I86 HydrophobicContact CD2-CD1 3.53Å; L48-I86 HydrophobicContact CG-CD1 4.02Å; V74-I86 HydrophobicContact CG1-CG2 3.67Å; I86-L88 HydrophobicContact CG2-CD1 3.71Å
87L97.6Very high93.2Very high1 Ų145 Ų451%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-127.4117.9175.2-174.374000109.2Y5 Y6 F7 S75 H89 I97 F100 F101 F140Y5-L87 HydrophobicContact CD1-CD1 4.5Å; Y5-L87 HydrophobicContact CD1-CD2 4.26Å; Y6-L87 CarbonylContact O-C 3.57Å; Y6-L87 WeakPolarHBondContact O-CA 3.44Å; F7-L87 HydrophobicContact CB-CD1 3.75Å; F7-L87 HydrophobicContact CD2-CD1 4.31Å; F7-L87 HydrophobicContact CG-CD1 4.46Å; S75-L87 PolarHBondContact N-O 2.96Å; S75-L87 PolarHBondContact O-N 2.96Å; L87-H89 PolarHBondContact O-CD2 2.85Å; L87-I97 HydrophobicContact CD2-CB 4.26Å; L87-I97 HydrophobicContact CD2-CD1 4.38Å; L87-I97 HydrophobicContact CD2-CG1 3.83Å; L87-I97 HydrophobicContact CD2-CG2 3.7Å; L87-F100 HydrophobicContact CD1-CE1 4.2Å; L87-F100 HydrophobicContact CD2-CD1 4.48Å; L87-F101 HydrophobicContact CB-CE1 3.87Å; L87-F101 HydrophobicContact CB-CE2 4.44Å; L87-F101 HydrophobicContact CB-CZ 3.48Å; L87-F101 VanDerWaalsContact CB-CZ 3.48Å; L87-F101 HydrophobicContact CD2-CZ 4.49Å; L87-F140 HydrophobicContact CD2-CZ 3.83Å
88L96.4Very high93.2Very high0 Ų048.8 Ų48.80%025%0.254CS..EExtended strand (participates in β ladder)trans-86.6131.3166.1-79.358.1000107.7Y5 Y6 N40 I43 A44 W72 L73 V74 I86Y5-L88 CarbonylContact C-O 3.47Å; Y5-L88 VanDerWaalsContact CA-O 3.26Å; Y5-L88 WeakPolarHBondContact CA-O 3.48Å; Y6-L88 HydrophobicContact CD1-CD1 4.29Å; Y6-L88 HydrophobicContact CD1-CD2 4.09Å; Y6-L88 PolarHBondContact N-O 3.42Å; Y6-L88 PolarHBondContact O-N 2.87Å; N40-L88 HydrophobicContact CB-CD2 3.98Å; N40-L88 WeakPolarHBondContact O-CD2 3.4Å; I43-L88 HydrophobicContact CB-CD2 3.86Å; I43-L88 HydrophobicContact CD1-CD2 4.39Å; I43-L88 HydrophobicContact CG2-CD2 3.79Å; I43-L88 HydrophobicContact CG2-CG 4.11Å; A44-L88 HydrophobicContact CB-CD1 3.8Å; W72-L88 HydrophobicContact CD2-CB 4.42Å; W72-L88 HydrophobicContact CE3-CB 3.82Å; W72-L88 HydrophobicContact CZ3-CB 4.17Å; L73-L88 WeakPolarHBondContact O-CA 3.37Å; V74-L88 HydrophobicContact CG1-CD1 4.34Å; V74-L88 HydrophobicContact CG2-CD1 4.41Å; V74-L88 HydrophobicContact CG2-CG 4.42Å; I86-L88 HydrophobicContact CG2-CD1 3.71Å
89H94.8Very high93.3Very high1 Ų154.2 Ų54.21%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-149.5155.4179.759.596.4000112R4 Y5 L73 S75 L87 E91 I97R4-H89 WeakPolarHBondContact O-CA 3.31Å; Y5-H89 HydrophobicContact CD1-CB 3.53Å; Y5-H89 HydrophobicContact CE1-CB 3.67Å; L73-H89 WeakPolarHBondContact CB-CE1 3.4Å; L73-H89 WeakPolarHBondContact CB-O 3.29Å; L73-H89 PolarHBondContact N-O 3.45Å; L73-H89 PolarHBondContact O-CD2 2.84Å; L73-H89 PolarHBondContact O-N 3.34Å; S75-H89 PolarHBondContact OG-NE2 2.87Å; L87-H89 PolarHBondContact O-CD2 2.85Å; H89-E91 PolarHBondContact ND1-O 2.77Å; H89-I97 VanDerWaalsContact CE1-CD1 3.44Å; H89-I97 WeakPolarHBondContact CE1-CD1 3.27Å; H89-I97 WeakPolarHBondContact NE2-CD1 3.47Å
90D91.8Very high93.5Very high57 Ų5754 Ų5431%0.30527%0.273SS..SBendtrans-105.5-3.4174.857.85.7000113.7G3 R4G3-D90 VanDerWaalsContact CA-OD1 3.29Å; G3-D90 WeakPolarHBondContact CA-OD1 3.42Å; R4-D90 IonicContact CZ-OD2 3.5Å; R4-D90 PolarHBondContact N-OD1 2.9Å; R4-D90 IonicContact NE-OD2 2.9Å; R4-D90 PolarHBondContact NE-OD2 2.79Å; R4-D90 IonicContact NH2-OD2 3.19Å; R4-D90 PolarHBondContact NH2-OD2 3.43Å
91E88.7Confident93.9Very high67 Ų6749 Ų4931%0.31324%0.24SC..SBendtrans-115.7123.5178.4-171.5-174.9164.300112.1Y5 H89 N93Y5-E91 PolarHBondContact OH-OE2 3.4Å; H89-E91 PolarHBondContact ND1-O 2.77Å; E91-N93 PolarHBondContact O-N 3.46Å
92S82.3Confident94.3Very high88 Ų8850.2 Ų50.262%0.61523%0.232SC*.  trans-7689.1175.5-167.90000111.6
93N89.4Confident94.7Very high40 Ų4042.8 Ų42.821%0.21421%0.207CC..  trans-131.781.6170.8-161-39.3000112E91 N95 R96 I97E91-N93 PolarHBondContact O-N 3.46Å; N93-N95 VanDerWaalsContact C-N 3.27Å; N93-N95 PolarHBondContact O-N 2.8Å; N93-R96 HydrophobicContact CB-CB 4.33Å; N93-R96 VanDerWaalsContact ND2-CD 3.3Å; N93-R96 WeakPolarHBondContact ND2-CD 3.41Å; N93-R96 PolarHBondContact ND2-NE 2.65Å; N93-R96 PolarHBondContact O-N 3.02Å; N93-R96 WeakPolarHBondContact OD1-CG 3.31Å; N93-R96 PolarHBondContact OD1-N 2.8Å; N93-I97 VanDerWaalsContact O-CG1 3.3Å; N93-I97 WeakPolarHBondContact O-CG1 3.28Å; N93-I97 PolarHBondContact O-N 2.81Å; N93-I97 VanDerWaalsContact O-N 3.14Å
94E92.1Very high94.8Very high76 Ų7642.3 Ų42.336%0.35520%0.204SC..Hα-helixtrans-55.2-39.3-175.1-63.8-168.2169.600113.3Y62 K64 K98Y62-E94 PolarHBondContact OH-O 3.49Å; K64-E94 WeakPolarHBondContact CE-OE2 3.37Å; K64-E94 IonicContact NZ-OE1 3.17Å; K64-E94 IonicContact NZ-OE2 2.65Å; K64-E94 PolarHBondContact NZ-OE2 3.05Å; E94-K98 VanDerWaalsContact O-CB 3.25Å; E94-K98 WeakPolarHBondContact O-CB 3.3Å; E94-K98 PolarHBondContact O-N 2.75Å
95N94.4Very high94.9Very high105 Ų10544.5 Ų44.556%0.56121%0.213SC*.Hα-helixtrans-67.8-46.5-176.9-72.1-32.3000111.8N93 K98 Y99N93-N95 VanDerWaalsContact C-N 3.27Å; N93-N95 PolarHBondContact O-N 2.8Å; N95-K98 PolarHBondContact O-N 2.83Å; N95-Y99 HydrophobicContact CB-CE2 4.45Å; N95-Y99 WeakPolarHBondContact O-CD2 3.43Å; N95-Y99 PolarHBondContact O-N 3.25Å
96R94.6Very high94.9Very high107 Ų10749 Ų4940%0.40423%0.234SC..Hα-helixtrans-62.7-44.3177.7-71.2179.6-179.1-170.43.1111.4N93 K98 Y99 F100 H139N93-R96 HydrophobicContact CB-CB 4.33Å; N93-R96 VanDerWaalsContact ND2-CD 3.3Å; N93-R96 WeakPolarHBondContact ND2-CD 3.41Å; N93-R96 PolarHBondContact ND2-NE 2.65Å; N93-R96 PolarHBondContact O-N 3.02Å; N93-R96 WeakPolarHBondContact OD1-CG 3.31Å; N93-R96 PolarHBondContact OD1-N 2.8Å; R96-K98 PolarHBondContact O-N 3.15Å; R96-Y99 PolarHBondContact O-N 2.69Å; R96-F100 WeakPolarHBondContact O-CB 3.33Å; R96-F100 PolarHBondContact O-N 3Å; R96-H139 WeakPolarHBondContact CD-O 3.19Å
97I96.4Very high94.8Very high2 Ų249.5 Ų49.51%0.0124%0.238CC..Hα-helixtrans-61.9-44.8178.5-66.1167.9000110.8Y62 L87 H89 N93 Y99 F100 F101 F140Y62-I97 HydrophobicContact CE2-CG2 4.02Å; L87-I97 HydrophobicContact CD2-CB 4.26Å; L87-I97 HydrophobicContact CD2-CD1 4.38Å; L87-I97 HydrophobicContact CD2-CG1 3.83Å; L87-I97 HydrophobicContact CD2-CG2 3.7Å; H89-I97 VanDerWaalsContact CE1-CD1 3.44Å; H89-I97 WeakPolarHBondContact CE1-CD1 3.27Å; H89-I97 WeakPolarHBondContact NE2-CD1 3.47Å; N93-I97 VanDerWaalsContact O-CG1 3.3Å; N93-I97 WeakPolarHBondContact O-CG1 3.28Å; N93-I97 PolarHBondContact O-N 2.81Å; N93-I97 VanDerWaalsContact O-N 3.14Å; I97-Y99 PolarHBondContact O-N 3.33Å; I97-F100 WeakPolarHBondContact O-CB 3.31Å; I97-F100 PolarHBondContact O-N 3.22Å; I97-F101 HydrophobicContact CG2-CD2 3.77Å; I97-F101 HydrophobicContact CG2-CE2 3.39Å; I97-F101 HydrophobicContact CG2-CZ 4.18Å; I97-F101 VanDerWaalsContact O-CD2 3.3Å; I97-F101 WeakPolarHBondContact O-CD2 3.12Å; I97-F101 PolarHBondContact O-N 3.35Å; I97-F140 HydrophobicContact CG1-CE1 4.28Å
98K96.6Very high94.8Very high85 Ų8550.1 Ų50.137%0.3724%0.241SC..Hα-helixtrans-58.4-49176.3-177.7-179.5178.3179.40111.9Y62 E94 N95 R96 F101 Q102Y62-K98 HydrophobicContact CD1-CB 4.02Å; Y62-K98 HydrophobicContact CD1-CD 4.05Å; Y62-K98 HydrophobicContact CD1-CG 3.96Å; Y62-K98 HydrophobicContact CE1-CB 3.9Å; Y62-K98 HydrophobicContact CE1-CD 4.47Å; Y62-K98 HydrophobicContact CE1-CG 4.34Å; Y62-K98 HydrophobicContact CG-CB 4.43Å; Y62-K98 HydrophobicContact CG-CG 4.25Å; E94-K98 VanDerWaalsContact O-CB 3.25Å; E94-K98 WeakPolarHBondContact O-CB 3.3Å; E94-K98 PolarHBondContact O-N 2.75Å; N95-K98 PolarHBondContact O-N 2.83Å; R96-K98 PolarHBondContact O-N 3.15Å; K98-F101 PolarHBondContact O-N 2.74Å; K98-Q102 WeakPolarHBondContact O-CG 3.38Å; K98-Q102 PolarHBondContact O-N 3.4Å
99Y97.1Very high94.8Very high126 Ų12653.1 Ų53.149%0.49426%0.256SS..Hα-helixtrans-67.6-35.1179.2-67.3-54.3000112.7N95 R96 I97 Q102 D103 H139N95-Y99 HydrophobicContact CB-CE2 4.45Å; N95-Y99 WeakPolarHBondContact O-CD2 3.43Å; N95-Y99 PolarHBondContact O-N 3.25Å; R96-Y99 PolarHBondContact O-N 2.69Å; I97-Y99 PolarHBondContact O-N 3.33Å; Y99-Q102 PolarHBondContact O-N 3.41Å; Y99-D103 WeakPolarHBondContact O-CB 3.38Å; Y99-D103 PolarHBondContact O-N 3.11Å; Y99-H139 VanDerWaalsContact CB-CE1 3.43Å; Y99-H139 WeakPolarHBondContact CB-CE1 3.49Å
100F97.7Very high94.8Very high1 Ų159 Ų590%0.00428%0.281CS..Hα-helixtrans-58.7-47.3171.9169.7-95.5000111.8F7 L87 R96 I97 T104 V132 I135 A136 H139 F140F7-F100 HydrophobicContact CB-CE1 4.3Å; F7-F100 HydrophobicContact CB-CZ 4.22Å; F7-F100 HydrophobicContact CD1-CE1 4.25Å; F7-F100 AromaticContact CD1-CZ 3.95Å; F7-F100 HydrophobicContact CD1-CZ 3.95Å; F7-F100 AromaticContact CD2-CE1 3.65Å; F7-F100 HydrophobicContact CD2-CE1 3.65Å; F7-F100 HydrophobicContact CD2-CZ 4.18Å; F7-F100 HydrophobicContact CE1-CZ 4.38Å; F7-F100 AromaticContact CE2-CE1 3.99Å; F7-F100 HydrophobicContact CE2-CE1 3.99Å; F7-F100 AromaticContact CG-CE1 3.79Å; F7-F100 HydrophobicContact CG-CE1 3.79Å; F7-F100 AromaticContact CG-CZ 3.83Å; F7-F100 HydrophobicContact CG-CZ 3.83Å; F7-F100 HydrophobicContact CZ-CE1 4.41Å; L87-F100 HydrophobicContact CD1-CE1 4.2Å; L87-F100 HydrophobicContact CD2-CD1 4.48Å; R96-F100 WeakPolarHBondContact O-CB 3.33Å; R96-F100 PolarHBondContact O-N 3Å; I97-F100 WeakPolarHBondContact O-CB 3.31Å; I97-F100 PolarHBondContact O-N 3.22Å; F100-T104 VanDerWaalsContact O-CB 3.26Å; F100-T104 WeakPolarHBondContact O-CB 3.44Å; F100-T104 PolarHBondContact O-N 3.36Å; F100-T104 PolarHBondContact O-OG1 2.96Å; F100-V132 HydrophobicContact CE2-CG1 4.46Å; F100-V132 HydrophobicContact CZ-CG1 4.34Å; F100-I135 HydrophobicContact CD2-CG2 3.78Å; F100-I135 HydrophobicContact CE2-CG2 4.14Å; F100-A136 HydrophobicContact CE2-CB 3.98Å; F100-H139 HydrophobicContact CB-CB 4.22Å; F100-F140 HydrophobicContact CB-CE1 4.43Å; F100-F140 HydrophobicContact CB-CE2 4.2Å; F100-F140 HydrophobicContact CB-CZ 3.7Å; F100-F140 HydrophobicContact CD1-CE2 4.03Å; F100-F140 AromaticContact CD1-CZ 3.9Å; F100-F140 HydrophobicContact CD1-CZ 3.9Å; F100-F140 HydrophobicContact CD2-CD2 4.32Å; F100-F140 AromaticContact CD2-CE2 3.46Å; F100-F140 HydrophobicContact CD2-CE2 3.46Å; F100-F140 VanDerWaalsContact CD2-CE2 3.46Å; F100-F140 AromaticContact CD2-CZ 3.88Å; F100-F140 HydrophobicContact CD2-CZ 3.88Å; F100-F140 HydrophobicContact CE1-CE2 4.31Å; F100-F140 AromaticContact CE2-CE2 3.8Å; F100-F140 HydrophobicContact CE2-CE2 3.8Å; F100-F140 AromaticContact CG-CE2 3.61Å; F100-F140 HydrophobicContact CG-CE2 3.61Å; F100-F140 AromaticContact CG-CZ 3.53Å; F100-F140 HydrophobicContact CG-CZ 3.53Å; F100-F140 HydrophobicContact CZ-CE2 4.21Å
101F97.9Very high94.9Very high0 Ų057.5 Ų57.50%027%0.273CS..Hα-helixtrans-62.7-42.7177.2-74.1-47000112.4F7 Y62 F77 F85 L87 I97 K98 T104 Y105F7-F101 HydrophobicContact CD2-CE1 4.07Å; F7-F101 HydrophobicContact CE2-CD1 4.04Å; F7-F101 AromaticContact CE2-CE1 3.78Å; F7-F101 HydrophobicContact CE2-CE1 3.78Å; Y62-F101 AromaticContact CD2-CD2 3.87Å; Y62-F101 HydrophobicContact CD2-CD2 3.87Å; Y62-F101 HydrophobicContact CD2-CE2 4.12Å; Y62-F101 AromaticContact CE2-CD2 3.87Å; Y62-F101 HydrophobicContact CE2-CD2 3.87Å; Y62-F101 AromaticContact CE2-CE2 3.83Å; Y62-F101 HydrophobicContact CE2-CE2 3.83Å; F77-F101 HydrophobicContact CB-CB 3.88Å; F77-F101 HydrophobicContact CB-CD1 3.92Å; F77-F101 HydrophobicContact CB-CD2 3.58Å; F77-F101 HydrophobicContact CB-CE1 4.27Å; F77-F101 HydrophobicContact CB-CE2 3.95Å; F77-F101 HydrophobicContact CB-CG 3.54Å; F77-F101 HydrophobicContact CB-CZ 4.27Å; F77-F101 HydrophobicContact CD1-CB 4.43Å; F77-F101 HydrophobicContact CD2-CB 3.77Å; F77-F101 HydrophobicContact CD2-CD2 4.39Å; F77-F101 HydrophobicContact CD2-CG 4.31Å; F77-F101 HydrophobicContact CE2-CB 4.41Å; F77-F101 HydrophobicContact CG-CB 3.79Å; F77-F101 HydrophobicContact CG-CD2 4.32Å; F77-F101 HydrophobicContact CG-CG 4.05Å; F85-F101 HydrophobicContact CB-CD1 3.84Å; F85-F101 HydrophobicContact CB-CE1 3.78Å; F85-F101 AromaticContact CD2-CD1 3.97Å; F85-F101 HydrophobicContact CD2-CD1 3.97Å; F85-F101 HydrophobicContact CG-CD1 4.44Å; L87-F101 HydrophobicContact CB-CE1 3.87Å; L87-F101 HydrophobicContact CB-CE2 4.44Å; L87-F101 HydrophobicContact CB-CZ 3.48Å; L87-F101 VanDerWaalsContact CB-CZ 3.48Å; L87-F101 HydrophobicContact CD2-CZ 4.49Å; I97-F101 HydrophobicContact CG2-CD2 3.77Å; I97-F101 HydrophobicContact CG2-CE2 3.39Å; I97-F101 HydrophobicContact CG2-CZ 4.18Å; I97-F101 VanDerWaalsContact O-CD2 3.3Å; I97-F101 WeakPolarHBondContact O-CD2 3.12Å; I97-F101 PolarHBondContact O-N 3.35Å; K98-F101 PolarHBondContact O-N 2.74Å; F101-T104 PolarHBondContact O-N 3.4Å; F101-Y105 VanDerWaalsContact O-CB 3.26Å; F101-Y105 WeakPolarHBondContact O-CB 3.27Å; F101-Y105 PolarHBondContact O-N 2.97Å
102Q97.2Very high95.2Very high78 Ų7854.9 Ų54.936%0.36426%0.264SS..Hα-helixtrans-63.2-49.5178.2-71.4177.7-29.500112.3K98 Y99 T104 Y105 E106K98-Q102 WeakPolarHBondContact O-CG 3.38Å; K98-Q102 PolarHBondContact O-N 3.4Å; Y99-Q102 PolarHBondContact O-N 3.41Å; Q102-T104 VanDerWaalsContact C-N 3.3Å; Q102-T104 PolarHBondContact O-N 2.84Å; Q102-Y105 PolarHBondContact O-N 2.78Å; Q102-E106 PolarHBondContact O-N 2.87Å
103D97.8Very high95.7Very high41 Ų4157.1 Ų57.122%0.21927%0.268CS..Hα-helixtrans-62.2-39178.5-78.4-3.3000111.1Y99 A107 I135 K138 H139Y99-D103 WeakPolarHBondContact O-CB 3.38Å; Y99-D103 PolarHBondContact O-N 3.11Å; D103-A107 PolarHBondContact O-N 3.17Å; D103-A107 VanDerWaalsContact O-N 3.13Å; D103-I135 HydrophobicContact CB-CD1 4.17Å; D103-I135 HydrophobicContact CB-CG1 4.3Å; D103-I135 HydrophobicContact CB-CG2 3.61Å; D103-K138 IonicContact OD2-NZ 2.61Å; D103-K138 PolarHBondContact OD2-NZ 3.42Å; D103-H139 IonicContact OD2-CD2 3.13Å; D103-H139 IonicContact OD2-CE1 2.92Å; D103-H139 IonicContact OD2-NE2 3.61Å; D103-H139 PolarHBondContact OD2-NE2 3.03Å
104T97.6Very high95.9Very high0 Ų058.8 Ų58.80%028%0.277CS..Hα-helixtrans-70.6-37.9178-58.20000111.7F7 F85 F100 F101 Q102 E106 A107 Y108 V132F7-T104 HydrophobicContact CE1-CG2 3.68Å; F7-T104 HydrophobicContact CZ-CG2 3.7Å; F85-T104 HydrophobicContact CE2-CG2 4.17Å; F100-T104 VanDerWaalsContact O-CB 3.26Å; F100-T104 WeakPolarHBondContact O-CB 3.44Å; F100-T104 PolarHBondContact O-N 3.36Å; F100-T104 PolarHBondContact O-OG1 2.96Å; F101-T104 PolarHBondContact O-N 3.4Å; Q102-T104 VanDerWaalsContact C-N 3.3Å; Q102-T104 PolarHBondContact O-N 2.84Å; T104-E106 VanDerWaalsContact C-N 3.35Å; T104-A107 WeakPolarHBondContact O-CB 3.46Å; T104-A107 PolarHBondContact O-N 2.8Å; T104-Y108 PolarHBondContact O-N 3.2Å; T104-V132 HydrophobicContact CG2-CG1 4.19Å; T104-V132 HydrophobicContact CG2-CG2 4.19Å
105Y97.5Very high96.1Very high59 Ų5960.7 Ų60.723%0.23130%0.296CS..Hα-helixtrans-63.7-41.2175.1179-127000111.5F77 T79 F85 F101 Q102 A107 Y108 I109F77-Y105 HydrophobicContact CE1-CD1 4.48Å; F77-Y105 HydrophobicContact CE1-CG 4.3Å; T79-Y105 HydrophobicContact CG2-CD2 3.4Å; T79-Y105 HydrophobicContact CG2-CE2 3.4Å; T79-Y105 VanDerWaalsContact CG2-CE2 3.4Å; T79-Y105 HydrophobicContact CG2-CG 4.26Å; F85-Y105 HydrophobicContact CE2-CD2 4.49Å; F85-Y105 HydrophobicContact CZ-CD2 4.22Å; F101-Y105 VanDerWaalsContact O-CB 3.26Å; F101-Y105 WeakPolarHBondContact O-CB 3.27Å; F101-Y105 PolarHBondContact O-N 2.97Å; Q102-Y105 PolarHBondContact O-N 2.78Å; Y105-A107 VanDerWaalsContact C-N 3.33Å; Y105-A107 PolarHBondContact O-N 2.93Å; Y105-Y108 WeakPolarHBondContact O-CB 3.45Å; Y105-Y108 PolarHBondContact O-N 3.19Å; Y105-I109 HydrophobicContact CD1-CD1 3.84Å; Y105-I109 HydrophobicContact CD2-CD1 4.27Å; Y105-I109 HydrophobicContact CD2-CG1 4.25Å; Y105-I109 HydrophobicContact CE1-CD1 3.46Å; Y105-I109 VanDerWaalsContact CE1-CD1 3.46Å; Y105-I109 HydrophobicContact CE1-CG1 4.32Å; Y105-I109 HydrophobicContact CE2-CD1 3.92Å; Y105-I109 HydrophobicContact CE2-CG1 3.84Å; Y105-I109 HydrophobicContact CG-CD1 4.23Å; Y105-I109 VanDerWaalsContact CZ-CD1 3.49Å; Y105-I109 WeakPolarHBondContact O-CG1 3.29Å; Y105-I109 PolarHBondContact O-N 3.08Å
106E97.2Very high96Very high95 Ų9564.3 Ų64.344%0.44431%0.307SS..Hα-helixtrans-61.2-41.7173.5-165-163.1141.100111.9Q102 T104 Y108 I109 K110Q102-E106 PolarHBondContact O-N 2.87Å; T104-E106 VanDerWaalsContact C-N 3.35Å; E106-Y108 VanDerWaalsContact C-N 3.34Å; E106-I109 PolarHBondContact O-N 2.94Å; E106-K110 WeakPolarHBondContact O-CG 3.45Å; E106-K110 PolarHBondContact O-N 2.86Å; E106-K110 WeakPolarHBondContact OE1-CE 3.14Å; E106-K110 IonicContact OE1-NZ 3.66Å; E106-K110 PolarHBondContact OE1-NZ 2.79Å
107A96.9Very high96Very high11 Ų1161 Ų619%0.09130%0.295CS..Hα-helixtrans-63.4-39.9174.700000112D103 T104 Y105 K110 L111 F128 R131 I135D103-A107 PolarHBondContact O-N 3.17Å; D103-A107 VanDerWaalsContact O-N 3.13Å; T104-A107 WeakPolarHBondContact O-CB 3.46Å; T104-A107 PolarHBondContact O-N 2.8Å; Y105-A107 VanDerWaalsContact C-N 3.33Å; Y105-A107 PolarHBondContact O-N 2.93Å; A107-K110 PolarHBondContact O-N 2.81Å; A107-L111 PolarHBondContact O-N 2.86Å; A107-F128 HydrophobicContact CB-CE2 4.11Å; A107-R131 HydrophobicContact CB-CG 4.07Å; A107-I135 HydrophobicContact CB-CD1 4.19Å
108Y96.4Very high95.8Very high13 Ų1367.5 Ų67.55%0.05132%0.324CS..Hα-helixtrans-64.4-45.2176.4176.1-87.7000111.4I9 L83 T104 Y105 E106 K110 L111 A112 F117 I123I9-Y108 HydrophobicContact CD1-CD2 4.35Å; L83-Y108 HydrophobicContact CD1-CD1 3.83Å; L83-Y108 HydrophobicContact CD1-CD2 4.43Å; L83-Y108 HydrophobicContact CD1-CE1 3.16Å; L83-Y108 HydrophobicContact CD1-CE2 3.83Å; L83-Y108 HydrophobicContact CD1-CG 4.44Å; L83-Y108 VanDerWaalsContact CD1-OH 3.3Å; L83-Y108 WeakPolarHBondContact CD1-OH 3.44Å; T104-Y108 PolarHBondContact O-N 3.2Å; Y105-Y108 WeakPolarHBondContact O-CB 3.45Å; Y105-Y108 PolarHBondContact O-N 3.19Å; E106-Y108 VanDerWaalsContact C-N 3.34Å; Y108-K110 VanDerWaalsContact C-N 3.3Å; Y108-K110 PolarHBondContact O-N 3.3Å; Y108-L111 WeakPolarHBondContact O-CB 3.38Å; Y108-L111 PolarHBondContact O-N 3.46Å; Y108-L111 VanDerWaalsContact O-N 3.09Å; Y108-A112 HydrophobicContact CD1-CB 4.3Å; Y108-A112 HydrophobicContact CE1-CB 3.79Å; Y108-A112 WeakPolarHBondContact O-CB 3.26Å; Y108-A112 PolarHBondContact O-N 3.38Å; Y108-F117 HydrophobicContact CE2-CE1 4.3Å; Y108-F117 HydrophobicContact CE2-CZ 4.24Å; Y108-I123 HydrophobicContact CD2-CD1 3.9Å; Y108-I123 HydrophobicContact CE2-CD1 3.9Å
109I95.7Very high95.4Very high64 Ų6471.1 Ų71.133%0.32834%0.335SS..Hα-helixtrans-56.5-46.3177.8-70.3162.2000110.4Y105 E106 L111 A112 L113Y105-I109 HydrophobicContact CD1-CD1 3.84Å; Y105-I109 HydrophobicContact CD2-CD1 4.27Å; Y105-I109 HydrophobicContact CD2-CG1 4.25Å; Y105-I109 HydrophobicContact CE1-CD1 3.46Å; Y105-I109 VanDerWaalsContact CE1-CD1 3.46Å; Y105-I109 HydrophobicContact CE1-CG1 4.32Å; Y105-I109 HydrophobicContact CE2-CD1 3.92Å; Y105-I109 HydrophobicContact CE2-CG1 3.84Å; Y105-I109 HydrophobicContact CG-CD1 4.23Å; Y105-I109 VanDerWaalsContact CZ-CD1 3.49Å; Y105-I109 WeakPolarHBondContact O-CG1 3.29Å; Y105-I109 PolarHBondContact O-N 3.08Å; E106-I109 PolarHBondContact O-N 2.94Å; I109-L111 VanDerWaalsContact C-N 3.26Å; I109-L111 PolarHBondContact O-N 3.16Å; I109-A112 CarbonylContact O-C 3.53Å; I109-A112 PolarHBondContact O-N 3.36Å; I109-L113 HydrophobicContact CG2-CD1 4.08Å; I109-L113 HydrophobicContact CG2-CG 4.24Å; I109-L113 VanDerWaalsContact O-CG 3.31Å; I109-L113 WeakPolarHBondContact O-CG 3.37Å; I109-L113 PolarHBondContact O-N 3.34Å
110K95.4Very high95Very high123 Ų12369.3 Ų69.354%0.53533%0.334SS..Hα-helixtrans-58.6-38.1178.5-73.9169.3175.1165.60112.6E106 A107 Y108E106-K110 WeakPolarHBondContact O-CG 3.45Å; E106-K110 PolarHBondContact O-N 2.86Å; E106-K110 WeakPolarHBondContact OE1-CE 3.14Å; E106-K110 IonicContact OE1-NZ 3.66Å; E106-K110 PolarHBondContact OE1-NZ 2.79Å; A107-K110 PolarHBondContact O-N 2.81Å; Y108-K110 VanDerWaalsContact C-N 3.3Å; Y108-K110 PolarHBondContact O-N 3.3Å
111L94.6Very high94.7Very high26 Ų2674.4 Ų74.414%0.13636%0.356CS..Hα-helixtrans-68.7-44.6173.5-177.569.7000111.4A107 Y108 I109 L113 N114 F117 I123 F128A107-L111 PolarHBondContact O-N 2.86Å; Y108-L111 WeakPolarHBondContact O-CB 3.38Å; Y108-L111 PolarHBondContact O-N 3.46Å; Y108-L111 VanDerWaalsContact O-N 3.09Å; I109-L111 VanDerWaalsContact C-N 3.26Å; I109-L111 PolarHBondContact O-N 3.16Å; L111-L113 PolarHBondContact O-N 3.01Å; L111-N114 VanDerWaalsContact O-CB 3.29Å; L111-N114 WeakPolarHBondContact O-CB 3.24Å; L111-N114 PolarHBondContact O-N 2.78Å; L111-N114 VanDerWaalsContact O-N 3.13Å; L111-F117 HydrophobicContact CD1-CD2 4.26Å; L111-F117 HydrophobicContact CD1-CE2 4.49Å; L111-F117 HydrophobicContact CD2-CD2 4.04Å; L111-F117 HydrophobicContact CD2-CE2 3.48Å; L111-F117 VanDerWaalsContact CD2-CE2 3.48Å; L111-F117 HydrophobicContact CD2-CZ 3.89Å; L111-F117 HydrophobicContact CG-CD2 3.78Å; L111-F117 HydrophobicContact CG-CE2 3.75Å; L111-F117 HydrophobicContact CG-CG 4.34Å; L111-F117 HydrophobicContact CG-CZ 4.25Å; L111-I123 HydrophobicContact CD2-CB 4.43Å; L111-I123 HydrophobicContact CD2-CD1 4.09Å; L111-I123 HydrophobicContact CD2-CG1 4.22Å; L111-I123 HydrophobicContact CD2-CG2 3.44Å; L111-I123 VanDerWaalsContact CD2-CG2 3.44Å; L111-F128 HydrophobicContact CB-CD2 4.37Å; L111-F128 HydrophobicContact CD2-CB 4.31Å; L111-F128 HydrophobicContact CD2-CD2 4.03Å; L111-F128 HydrophobicContact CD2-CG 4.06Å
112A93.7Very high94.5Very high13 Ų1378.4 Ų78.411%0.10738%0.382CS..Hα-helixtrans-71.3-13.8-177.100000114.8Y108 I109 N114 F117 R119Y108-A112 HydrophobicContact CD1-CB 4.3Å; Y108-A112 HydrophobicContact CE1-CB 3.79Å; Y108-A112 WeakPolarHBondContact O-CB 3.26Å; Y108-A112 PolarHBondContact O-N 3.38Å; I109-A112 CarbonylContact O-C 3.53Å; I109-A112 PolarHBondContact O-N 3.36Å; A112-N114 VanDerWaalsContact C-N 3.29Å; A112-F117 HydrophobicContact CB-CD1 4.05Å; A112-F117 HydrophobicContact CB-CE1 4.12Å; A112-R119 PolarHBondContact O-NH2 3.16Å
113L93.8Very high94.4Very high134 Ų13475.3 Ų75.370%0.70237%0.368SS*.THydrogen-bonded Turntrans-77.2-13.2171.2-74.7172.9000113I109 L111 P115I109-L113 HydrophobicContact CG2-CD1 4.08Å; I109-L113 HydrophobicContact CG2-CG 4.24Å; I109-L113 VanDerWaalsContact O-CG 3.31Å; I109-L113 WeakPolarHBondContact O-CG 3.37Å; I109-L113 PolarHBondContact O-N 3.34Å; L111-L113 PolarHBondContact O-N 3.01Å; L113-P115 WeakPolarHBondContact O-CD 3.48Å
114N94Very high94.2Very high75 Ų7579.8 Ų79.840%0.40140%0.397SS..SBendtrans-69.2122.2172.2180-11.3000109.5L111 A112 F116 F117L111-N114 VanDerWaalsContact O-CB 3.29Å; L111-N114 WeakPolarHBondContact O-CB 3.24Å; L111-N114 PolarHBondContact O-N 2.78Å; L111-N114 VanDerWaalsContact O-N 3.13Å; A112-N114 VanDerWaalsContact C-N 3.29Å; N114-F116 PolarHBondContact O-N 2.79Å; N114-F116 VanDerWaalsContact O-N 3.09Å; N114-F116 WeakPolarHBondContact OD1-CD2 3.24Å; N114-F116 PolarHBondContact OD1-N 3.19Å; N114-F117 HydrophobicContact CB-CB 4.12Å; N114-F117 VanDerWaalsContact O-CB 3.27Å; N114-F117 WeakPolarHBondContact O-CB 3.32Å; N114-F117 PolarHBondContact O-N 3.38Å
115P94.9Very high94Very high116 Ų11681.4 Ų81.475%0.75341%0.408SS*.THydrogen-bonded Turntrans-62.6-19-178.725.7-35.4000113.8L113L113-P115 WeakPolarHBondContact O-CD 3.48Å
116F94Very high93.8Very high181 Ų18182 Ų8279%0.79442%0.421SS*.THydrogen-bonded Turntrans-91.7-1.6176.3-57.3-71.9000113.4N114 K118N114-F116 PolarHBondContact O-N 2.79Å; N114-F116 VanDerWaalsContact O-N 3.09Å; N114-F116 WeakPolarHBondContact OD1-CD2 3.24Å; N114-F116 PolarHBondContact OD1-N 3.19Å; F116-K118 PolarHBondContact O-N 2.9Å
117F93.4Very high93.7Very high37 Ų3781.6 Ų81.616%0.16243%0.428CS..  trans-76.4119.2178-179.1-106.6000110.9Y108 L111 A112 N114 R119 I123Y108-F117 HydrophobicContact CE2-CE1 4.3Å; Y108-F117 HydrophobicContact CE2-CZ 4.24Å; L111-F117 HydrophobicContact CD1-CD2 4.26Å; L111-F117 HydrophobicContact CD1-CE2 4.49Å; L111-F117 HydrophobicContact CD2-CD2 4.04Å; L111-F117 HydrophobicContact CD2-CE2 3.48Å; L111-F117 VanDerWaalsContact CD2-CE2 3.48Å; L111-F117 HydrophobicContact CD2-CZ 3.89Å; L111-F117 HydrophobicContact CG-CD2 3.78Å; L111-F117 HydrophobicContact CG-CE2 3.75Å; L111-F117 HydrophobicContact CG-CG 4.34Å; L111-F117 HydrophobicContact CG-CZ 4.25Å; A112-F117 HydrophobicContact CB-CD1 4.05Å; A112-F117 HydrophobicContact CB-CE1 4.12Å; N114-F117 HydrophobicContact CB-CB 4.12Å; N114-F117 VanDerWaalsContact O-CB 3.27Å; N114-F117 WeakPolarHBondContact O-CB 3.32Å; N114-F117 PolarHBondContact O-N 3.38Å; F117-R119 HydrophobicContact CD1-CG 3.98Å; F117-R119 HydrophobicContact CE1-CB 4.46Å; F117-R119 HydrophobicContact CE1-CG 3.96Å; F117-I123 HydrophobicContact CE2-CG1 4.15Å; F117-I123 HydrophobicContact CZ-CD1 4.39Å; F117-I123 HydrophobicContact CZ-CG1 4.03Å
118K91.9Very high93.7Very high140 Ų14081.4 Ų81.461%0.60943%0.426SS*.  trans-89.6112.7175.1-66.3-174.3-179.9-177.70109.3F116 D120 K121F116-K118 PolarHBondContact O-N 2.9Å; K118-D120 VanDerWaalsContact C-N 3.28Å; K118-D120 PolarHBondContact O-N 2.88Å; K118-K121 HydrophobicContact CB-CB 4.06Å; K118-K121 HydrophobicContact CB-CG 3.76Å; K118-K121 HydrophobicContact CD-CG 4.12Å; K118-K121 PolarHBondContact O-N 3.2Å
119R89.7Confident93.6Very high160 Ų16082.9 Ų82.960%0.60444%0.438SS*.THydrogen-bonded Turntrans-71-23.5-174.2-63-176.4-178.9115.56.5113.6A112 F117 K121A112-R119 PolarHBondContact O-NH2 3.16Å; F117-R119 HydrophobicContact CD1-CG 3.98Å; F117-R119 HydrophobicContact CE1-CB 4.46Å; F117-R119 HydrophobicContact CE1-CG 3.96Å; R119-K121 VanDerWaalsContact C-N 3.29Å
120D87Confident93.7Very high89 Ų8985.8 Ų85.848%0.47645%0.448SS..THydrogen-bonded Turntrans-85.74.1178.864.2-55.9000113.3K118K118-D120 VanDerWaalsContact C-N 3.28Å; K118-D120 PolarHBondContact O-N 2.88Å
121K92Very high93.7Very high107 Ų10786 Ų8647%0.46545%0.446SS..SBendtrans-119.1148.6-175.8-63.3-62.1174.9-161.60111.6K118 R119K118-K121 HydrophobicContact CB-CB 4.06Å; K118-K121 HydrophobicContact CB-CG 3.76Å; K118-K121 HydrophobicContact CD-CG 4.12Å; K118-K121 PolarHBondContact O-N 3.2Å; R119-K121 VanDerWaalsContact C-N 3.29Å
122P94.5Very high93.8Very high84 Ų8484.8 Ų84.855%0.54544%0.439SS..  trans-54.1140.9173.8-26.234.6000112.3L17 T124L17-P122 CarbonylContact O-C 3.42Å; L17-P122 WeakPolarHBondContact O-CA 3.47Å; P122-T124 PolarHBondContact O-N 2.93Å; P122-T124 VanDerWaalsContact O-N 3.16Å
123I95.2Very high93.9Very high13 Ų1387.4 Ų87.47%0.06745%0.449CS..  trans-77.6100.9180-57.4177.8000109.1I9 L17 F18 Y108 L111 F117 F128I9-I123 HydrophobicContact CD1-CD1 4.45Å; L17-I123 PolarHBondContact O-N 3.28Å; F18-I123 HydrophobicContact CB-CB 4.23Å; F18-I123 HydrophobicContact CB-CD1 4.01Å; F18-I123 HydrophobicContact CB-CG1 4.37Å; F18-I123 HydrophobicContact CD2-CB 4.29Å; Y108-I123 HydrophobicContact CD2-CD1 3.9Å; Y108-I123 HydrophobicContact CE2-CD1 3.9Å; L111-I123 HydrophobicContact CD2-CB 4.43Å; L111-I123 HydrophobicContact CD2-CD1 4.09Å; L111-I123 HydrophobicContact CD2-CG1 4.22Å; L111-I123 HydrophobicContact CD2-CG2 3.44Å; L111-I123 VanDerWaalsContact CD2-CG2 3.44Å; F117-I123 HydrophobicContact CE2-CG1 4.15Å; F117-I123 HydrophobicContact CZ-CD1 4.39Å; F117-I123 HydrophobicContact CZ-CG1 4.03Å; I123-F128 HydrophobicContact CB-CD1 4.45Å; I123-F128 HydrophobicContact CD1-CD1 4.39Å; I123-F128 HydrophobicContact CD1-CE1 3.89Å; I123-F128 HydrophobicContact CD1-CZ 4.19Å; I123-F128 HydrophobicContact CG2-CB 4.17Å; I123-F128 HydrophobicContact CG2-CD1 3.47Å; I123-F128 VanDerWaalsContact CG2-CD1 3.47Å; I123-F128 HydrophobicContact CG2-CE1 4.05Å; I123-F128 HydrophobicContact CG2-CG 3.94Å
124T92.5Very high94Very high136 Ų13688.7 Ų88.783%0.83445%0.445SS*.  trans-92.72.7-179.155.70000114.2P122 S126P122-T124 PolarHBondContact O-N 2.93Å; P122-T124 VanDerWaalsContact O-N 3.16Å; T124-S126 PolarHBondContact O-N 3.46Å
125S93.3Very high94.2Very high34 Ų3485.5 Ų85.524%0.23843%0.427CS..  trans-74.3111-173.9178.90000112.5S127 F128 S129S125-S127 PolarHBondContact O-N 3.21Å; S125-S127 VanDerWaalsContact O-N 3.17Å; S125-S127 PolarHBondContact OG-OG 2.94Å; S125-F128 WeakPolarHBondContact O-CB 3.49Å; S125-F128 PolarHBondContact O-N 3.44Å; S125-S129 PolarHBondContact O-N 2.85Å; S125-S129 VanDerWaalsContact O-N 3.07Å; S125-S129 PolarHBondContact O-OG 3.46Å
126S94.1Very high94.2Very high70 Ų7080 Ų8049%0.4939%0.392SS..Hα-helixtrans-56.3-33.6175.1-1770000113.1T124 F128 K130T124-S126 PolarHBondContact O-N 3.46Å; S126-F128 VanDerWaalsContact C-N 3.34Å; S126-K130 WeakPolarHBondContact O-CB 3.39Å; S126-K130 VanDerWaalsContact O-CG 3.3Å; S126-K130 WeakPolarHBondContact O-CG 3.42Å; S126-K130 PolarHBondContact O-N 3.09Å
127S94.8Very high94.1Very high87 Ų8775 Ų7561%0.60837%0.374SS*.Hα-helixtrans-65.4-3817767.40000112.3S125 R131S125-S127 PolarHBondContact O-N 3.21Å; S125-S127 VanDerWaalsContact O-N 3.17Å; S125-S127 PolarHBondContact OG-OG 2.94Å; S127-R131 WeakPolarHBondContact O-CB 3.32Å; S127-R131 PolarHBondContact O-N 3.35Å; S127-R131 VanDerWaalsContact O-N 3.08Å
128F96.5Very high94.2Very high8 Ų880 Ų804%0.03540%0.395CS..Hα-helixtrans-68.8-50.3175.4179.7-98.2000110.6I9 F18 A107 L111 I123 S125 S126 K130 R131 V132I9-F128 HydrophobicContact CD1-CE1 4.37Å; I9-F128 HydrophobicContact CD1-CZ 4.01Å; F18-F128 HydrophobicContact CB-CE1 4.47Å; F18-F128 HydrophobicContact CD1-CE1 4Å; F18-F128 AromaticContact CD2-CD1 3.94Å; F18-F128 HydrophobicContact CD2-CD1 3.94Å; F18-F128 AromaticContact CD2-CE1 3.78Å; F18-F128 HydrophobicContact CD2-CE1 3.78Å; F18-F128 HydrophobicContact CE1-CE1 4.16Å; F18-F128 AromaticContact CE2-CD1 3.88Å; F18-F128 HydrophobicContact CE2-CD1 3.88Å; F18-F128 AromaticContact CE2-CE1 3.94Å; F18-F128 HydrophobicContact CE2-CE1 3.94Å; F18-F128 HydrophobicContact CG-CD1 4.44Å; F18-F128 AromaticContact CG-CE1 3.81Å; F18-F128 HydrophobicContact CG-CE1 3.81Å; F18-F128 HydrophobicContact CZ-CD1 4.34Å; F18-F128 HydrophobicContact CZ-CE1 4.14Å; A107-F128 HydrophobicContact CB-CE2 4.11Å; L111-F128 HydrophobicContact CB-CD2 4.37Å; L111-F128 HydrophobicContact CD2-CB 4.31Å; L111-F128 HydrophobicContact CD2-CD2 4.03Å; L111-F128 HydrophobicContact CD2-CG 4.06Å; I123-F128 HydrophobicContact CB-CD1 4.45Å; I123-F128 HydrophobicContact CD1-CD1 4.39Å; I123-F128 HydrophobicContact CD1-CE1 3.89Å; I123-F128 HydrophobicContact CD1-CZ 4.19Å; I123-F128 HydrophobicContact CG2-CB 4.17Å; I123-F128 HydrophobicContact CG2-CD1 3.47Å; I123-F128 VanDerWaalsContact CG2-CD1 3.47Å; I123-F128 HydrophobicContact CG2-CE1 4.05Å; I123-F128 HydrophobicContact CG2-CG 3.94Å; S125-F128 WeakPolarHBondContact O-CB 3.49Å; S125-F128 PolarHBondContact O-N 3.44Å; S126-F128 VanDerWaalsContact C-N 3.34Å; F128-K130 VanDerWaalsContact C-N 3.32Å; F128-K130 PolarHBondContact O-N 3.35Å; F128-R131 WeakPolarHBondContact O-CA 3.41Å; F128-R131 WeakPolarHBondContact O-CB 3.48Å; F128-R131 PolarHBondContact O-N 2.98Å; F128-V132 HydrophobicContact CD1-CG2 4.03Å; F128-V132 HydrophobicContact CD2-CG2 4.38Å; F128-V132 HydrophobicContact CE1-CG2 3.6Å; F128-V132 HydrophobicContact CE2-CG2 3.96Å; F128-V132 HydrophobicContact CG-CG2 4.41Å; F128-V132 HydrophobicContact CZ-CG2 3.56Å; F128-V132 WeakPolarHBondContact O-CG2 3.37Å; F128-V132 PolarHBondContact O-N 3.43Å
129S95.7Very high94.3Very high44 Ų4474.3 Ų74.331%0.30837%0.371SS..Hα-helixtrans-56-45.5178.8-430000111.8S125 R131 V132 Q133S125-S129 PolarHBondContact O-N 2.85Å; S125-S129 VanDerWaalsContact O-N 3.07Å; S125-S129 PolarHBondContact O-OG 3.46Å; S129-R131 VanDerWaalsContact C-N 3.29Å; S129-R131 PolarHBondContact O-N 3.47Å; S129-V132 PolarHBondContact O-N 2.95Å; S129-Q133 WeakPolarHBondContact O-CB 3.4Å; S129-Q133 PolarHBondContact O-N 3.48Å
130K96.1Very high94.4Very high125 Ų12567 Ų6754%0.54334%0.343SS..Hα-helixtrans-62.7-34.9174.9-73176.1-176.3176.90112.6S126 F128 R134S126-K130 WeakPolarHBondContact O-CB 3.39Å; S126-K130 VanDerWaalsContact O-CG 3.3Å; S126-K130 WeakPolarHBondContact O-CG 3.42Å; S126-K130 PolarHBondContact O-N 3.09Å; F128-K130 VanDerWaalsContact C-N 3.32Å; F128-K130 PolarHBondContact O-N 3.35Å; K130-R134 WeakPolarHBondContact O-CG 3.37Å; K130-R134 PolarHBondContact O-N 3.46Å; K130-R134 VanDerWaalsContact O-N 3.16Å
131R96.8Very high94.3Very high127 Ų12766.7 Ų66.748%0.47936%0.362SS..Hα-helixtrans-68.8-47.3177.8-176.762.7177.4-177.12.5110.9A107 S127 F128 S129 Q133 R134 I135A107-R131 HydrophobicContact CB-CG 4.07Å; S127-R131 WeakPolarHBondContact O-CB 3.32Å; S127-R131 PolarHBondContact O-N 3.35Å; S127-R131 VanDerWaalsContact O-N 3.08Å; F128-R131 WeakPolarHBondContact O-CA 3.41Å; F128-R131 WeakPolarHBondContact O-CB 3.48Å; F128-R131 PolarHBondContact O-N 2.98Å; S129-R131 VanDerWaalsContact C-N 3.29Å; S129-R131 PolarHBondContact O-N 3.47Å; R131-Q133 VanDerWaalsContact C-N 3.34Å; R131-R134 PolarHBondContact O-N 2.94Å; R131-I135 HydrophobicContact CG-CD1 4.09Å; R131-I135 WeakPolarHBondContact O-CG1 3.35Å; R131-I135 PolarHBondContact O-N 3.23Å
132V96.9Very high94.4Very high0 Ų064.7 Ų64.70%036%0.356CS..Hα-helixtrans-63-41.6177.2-173.70000110.6F7 F18 L20 F100 T104 F128 S129 R134 I135 A136F7-V132 HydrophobicContact CD1-CG1 4.25Å; F7-V132 HydrophobicContact CE1-CG1 4.29Å; F18-V132 HydrophobicContact CE1-CB 4.2Å; F18-V132 HydrophobicContact CE1-CG1 4.02Å; F18-V132 HydrophobicContact CE1-CG2 4.21Å; F18-V132 HydrophobicContact CZ-CB 4.17Å; F18-V132 HydrophobicContact CZ-CG1 4.44Å; F18-V132 HydrophobicContact CZ-CG2 4.26Å; L20-V132 HydrophobicContact CD2-CG1 3.82Å; F100-V132 HydrophobicContact CE2-CG1 4.46Å; F100-V132 HydrophobicContact CZ-CG1 4.34Å; T104-V132 HydrophobicContact CG2-CG1 4.19Å; T104-V132 HydrophobicContact CG2-CG2 4.19Å; F128-V132 HydrophobicContact CD1-CG2 4.03Å; F128-V132 HydrophobicContact CD2-CG2 4.38Å; F128-V132 HydrophobicContact CE1-CG2 3.6Å; F128-V132 HydrophobicContact CE2-CG2 3.96Å; F128-V132 HydrophobicContact CG-CG2 4.41Å; F128-V132 HydrophobicContact CZ-CG2 3.56Å; F128-V132 WeakPolarHBondContact O-CG2 3.37Å; F128-V132 PolarHBondContact O-N 3.43Å; S129-V132 PolarHBondContact O-N 2.95Å; V132-R134 VanDerWaalsContact C-N 3.31Å; V132-R134 PolarHBondContact O-N 2.93Å; V132-I135 WeakPolarHBondContact O-CB 3.45Å; V132-I135 PolarHBondContact O-N 2.86Å; V132-I135 VanDerWaalsContact O-N 3.08Å; V132-A136 PolarHBondContact O-N 3.12Å
133Q95.3Very high94.4Very high68 Ų6863.7 Ų63.732%0.31835%0.347SS..Hα-helixtrans-56.5-42.4173.8-17467.738.400112.8S129 R131 A136 N137S129-Q133 WeakPolarHBondContact O-CB 3.4Å; S129-Q133 PolarHBondContact O-N 3.48Å; R131-Q133 VanDerWaalsContact C-N 3.34Å; Q133-A136 PolarHBondContact O-N 3.1Å; Q133-N137 PolarHBondContact O-N 2.99Å; Q133-N137 PolarHBondContact O-ND2 3.28Å
134R95.8Very high94.3Very high161 Ų16166.5 Ų66.561%0.60836%0.362SS*.Hα-helixtrans-67.3-37.3176.7-72.2175.7-166.9163.43.3112.2K130 R131 V132 N137 K138K130-R134 WeakPolarHBondContact O-CG 3.37Å; K130-R134 PolarHBondContact O-N 3.46Å; K130-R134 VanDerWaalsContact O-N 3.16Å; R131-R134 PolarHBondContact O-N 2.94Å; V132-R134 VanDerWaalsContact C-N 3.31Å; V132-R134 PolarHBondContact O-N 2.93Å; R134-N137 PolarHBondContact O-N 3.49Å; R134-K138 WeakPolarHBondContact O-CB 3.39Å; R134-K138 PolarHBondContact O-N 2.99Å
135I97Very high94.4Very high8 Ų862.4 Ų62.44%0.04133%0.334CS..Hα-helixtrans-65.4-44.1175.5-66.3164.5000109.6F100 D103 A107 R131 V132 K138 H139F100-I135 HydrophobicContact CD2-CG2 3.78Å; F100-I135 HydrophobicContact CE2-CG2 4.14Å; D103-I135 HydrophobicContact CB-CD1 4.17Å; D103-I135 HydrophobicContact CB-CG1 4.3Å; D103-I135 HydrophobicContact CB-CG2 3.61Å; A107-I135 HydrophobicContact CB-CD1 4.19Å; R131-I135 HydrophobicContact CG-CD1 4.09Å; R131-I135 WeakPolarHBondContact O-CG1 3.35Å; R131-I135 PolarHBondContact O-N 3.23Å; V132-I135 WeakPolarHBondContact O-CB 3.45Å; V132-I135 PolarHBondContact O-N 2.86Å; V132-I135 VanDerWaalsContact O-N 3.08Å; I135-K138 WeakPolarHBondContact O-CB 3.43Å; I135-K138 PolarHBondContact O-N 3.19Å; I135-H139 PolarHBondContact O-CD2 3.19Å; I135-H139 VanDerWaalsContact O-CD2 3.22Å; I135-H139 PolarHBondContact O-N 3.15Å; I135-H139 VanDerWaalsContact O-N 3.13Å
136A95.1Very high94.5Very high0 Ų064.2 Ų64.20%034%0.34CS..Hα-helixtrans-58.7-4917400000111.4L20 Y22 F100 V132 Q133 K138 H139 F140L20-A136 HydrophobicContact CD2-CB 3.99Å; Y22-A136 HydrophobicContact CD2-CB 3.59Å; Y22-A136 HydrophobicContact CE2-CB 3.92Å; Y22-A136 HydrophobicContact CG-CB 4.08Å; F100-A136 HydrophobicContact CE2-CB 3.98Å; V132-A136 PolarHBondContact O-N 3.12Å; Q133-A136 PolarHBondContact O-N 3.1Å; A136-K138 VanDerWaalsContact C-N 3.27Å; A136-K138 PolarHBondContact O-N 3.12Å; A136-H139 PolarHBondContact O-N 3.02Å; A136-F140 HydrophobicContact CB-CD2 4.12Å; A136-F140 WeakPolarHBondContact O-CB 2.99Å; A136-F140 PolarHBondContact O-N 3.3Å
137N93.4Very high94.5Very high78 Ų7863.8 Ų63.842%0.41733%0.33SS..Hα-helixtrans-57.5-36.6174.6-78.6-30.4000113.5Y22 Q133 R134 G141Y22-N137 WeakPolarHBondContact CE2-OD1 3.28Å; Y22-N137 PolarHBondContact OH-OD1 3.31Å; Q133-N137 PolarHBondContact O-N 2.99Å; Q133-N137 PolarHBondContact O-ND2 3.28Å; R134-N137 PolarHBondContact O-N 3.49Å; N137-G141 WeakPolarHBondContact O-CA 3.36Å; N137-G141 PolarHBondContact O-N 3.39Å; N137-G141 VanDerWaalsContact O-N 3.16Å
138K94.6Very high94.5Very high141 Ų14162.1 Ų62.161%0.61331%0.31SS*.Hα-helixtrans-68.7-35.7179.3176.5-169.8165.7-1600112.2D103 R134 I135 A136D103-K138 IonicContact OD2-NZ 2.61Å; D103-K138 PolarHBondContact OD2-NZ 3.42Å; R134-K138 WeakPolarHBondContact O-CB 3.39Å; R134-K138 PolarHBondContact O-N 2.99Å; I135-K138 WeakPolarHBondContact O-CB 3.43Å; I135-K138 PolarHBondContact O-N 3.19Å; A136-K138 VanDerWaalsContact C-N 3.27Å; A136-K138 PolarHBondContact O-N 3.12Å
139H93.8Very high94.4Very high20 Ų2066.3 Ų66.39%0.09333%0.332CS..Hα-helixtrans-98.9-29.5-173.7-69.5-65000113.8R96 Y99 F100 D103 I135 A136R96-H139 WeakPolarHBondContact CD-O 3.19Å; Y99-H139 VanDerWaalsContact CB-CE1 3.43Å; Y99-H139 WeakPolarHBondContact CB-CE1 3.49Å; F100-H139 HydrophobicContact CB-CB 4.22Å; D103-H139 IonicContact OD2-CD2 3.13Å; D103-H139 IonicContact OD2-CE1 2.92Å; D103-H139 IonicContact OD2-NE2 3.61Å; D103-H139 PolarHBondContact OD2-NE2 3.03Å; I135-H139 PolarHBondContact O-CD2 3.19Å; I135-H139 VanDerWaalsContact O-CD2 3.22Å; I135-H139 PolarHBondContact O-N 3.15Å; I135-H139 VanDerWaalsContact O-N 3.13Å; A136-H139 PolarHBondContact O-N 3.02Å
140F91.9Very high94.3Very high6 Ų668.2 Ų68.23%0.02633%0.334CS..Hα-helixtrans-118.2-14.2-172.7-53.8-45.1000114.4Y5 Y22 L87 I97 F100 A136Y5-F140 AromaticContact CD1-CD1 3.99Å; Y5-F140 HydrophobicContact CD1-CD1 3.99Å; Y5-F140 HydrophobicContact CD1-CD2 4.24Å; Y5-F140 AromaticContact CD1-CE1 3.92Å; Y5-F140 HydrophobicContact CD1-CE1 3.92Å; Y5-F140 HydrophobicContact CD1-CE2 4.17Å; Y5-F140 HydrophobicContact CD1-CG 4.17Å; Y5-F140 HydrophobicContact CD1-CZ 4.02Å; Y5-F140 HydrophobicContact CD2-CB 3.91Å; Y5-F140 HydrophobicContact CD2-CD1 4.34Å; Y5-F140 HydrophobicContact CD2-CD2 4.16Å; Y5-F140 AromaticContact CD2-CG 3.9Å; Y5-F140 HydrophobicContact CD2-CG 3.9Å; Y5-F140 AromaticContact CE1-CD1 3.55Å; Y5-F140 HydrophobicContact CE1-CD1 3.55Å; Y5-F140 AromaticContact CE1-CE1 3.63Å; Y5-F140 HydrophobicContact CE1-CE1 3.63Å; Y5-F140 HydrophobicContact CE1-CG 4.07Å; Y5-F140 HydrophobicContact CE1-CZ 4.2Å; Y5-F140 HydrophobicContact CE2-CB 3.61Å; Y5-F140 AromaticContact CE2-CD1 3.9Å; Y5-F140 HydrophobicContact CE2-CD1 3.9Å; Y5-F140 HydrophobicContact CE2-CD2 4.47Å; Y5-F140 AromaticContact CE2-CG 3.76Å; Y5-F140 HydrophobicContact CE2-CG 3.76Å; Y5-F140 HydrophobicContact CG-CD1 4.37Å; Y5-F140 HydrophobicContact CG-CD2 4.03Å; Y5-F140 HydrophobicContact CG-CE2 4.28Å; Y5-F140 HydrophobicContact CG-CG 4.09Å; Y5-F140 AromaticContact CZ-CD1 3.48Å; Y5-F140 VanDerWaalsContact CZ-CD1 3.48Å; Y5-F140 AromaticContact CZ-CG 3.85Å; Y22-F140 HydrophobicContact CD1-CB 3.93Å; Y22-F140 HydrophobicContact CD1-CD2 4.36Å; Y22-F140 HydrophobicContact CE1-CB 3.58Å; L87-F140 HydrophobicContact CD2-CZ 3.83Å; I97-F140 HydrophobicContact CG1-CE1 4.28Å; F100-F140 HydrophobicContact CB-CE1 4.43Å; F100-F140 HydrophobicContact CB-CE2 4.2Å; F100-F140 HydrophobicContact CB-CZ 3.7Å; F100-F140 HydrophobicContact CD1-CE2 4.03Å; F100-F140 AromaticContact CD1-CZ 3.9Å; F100-F140 HydrophobicContact CD1-CZ 3.9Å; F100-F140 HydrophobicContact CD2-CD2 4.32Å; F100-F140 AromaticContact CD2-CE2 3.46Å; F100-F140 HydrophobicContact CD2-CE2 3.46Å; F100-F140 VanDerWaalsContact CD2-CE2 3.46Å; F100-F140 AromaticContact CD2-CZ 3.88Å; F100-F140 HydrophobicContact CD2-CZ 3.88Å; F100-F140 HydrophobicContact CE1-CE2 4.31Å; F100-F140 AromaticContact CE2-CE2 3.8Å; F100-F140 HydrophobicContact CE2-CE2 3.8Å; F100-F140 AromaticContact CG-CE2 3.61Å; F100-F140 HydrophobicContact CG-CE2 3.61Å; F100-F140 AromaticContact CG-CZ 3.53Å; F100-F140 HydrophobicContact CG-CZ 3.53Å; F100-F140 HydrophobicContact CZ-CE2 4.21Å; A136-F140 HydrophobicContact CB-CD2 4.12Å; A136-F140 WeakPolarHBondContact O-CB 2.99Å; A136-F140 PolarHBondContact O-N 3.3Å
141G84.5Confident94.1Very high84 Ų8463 Ų6387%0.86632%0.315SS*.  trans-75.20172.800000111.9Y22 N137Y22-G141 WeakPolarHBondContact OH-CA 3.5Å; N137-G141 WeakPolarHBondContact O-CA 3.36Å; N137-G141 PolarHBondContact O-N 3.39Å; N137-G141 VanDerWaalsContact O-N 3.16Å

Retrieved 141 of 141 residues in 492.5 ms (Link to these results)

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