A0A077Z7B0_TRITR Loading...

Sidoreflexin

AlphaFold DB , UniProt , Accession A0A077Z7B0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 314 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
1M57Low86.3Confident245 Ų245101.3 Ų101.3100%1.20749%0.492SS*.  0121.70-154170.6-153.800107Q3M1-Q3 PolarHBondContact O-N 2.66Å
2K81.3Confident86.6Confident142 Ų14294.5 Ų94.562%0.61746%0.462SS*.PPolyproline II helixtrans-72.2128.3177.2-65.8-169.9-177.1-179.80108.1L4 T67 E70K2-L4 PolarHBondContact O-N 3.35Å; K2-T67 HydrophobicContact CB-CG2 3.73Å; K2-T67 HydrophobicContact CD-CG2 3.68Å; K2-T67 HydrophobicContact CG-CG2 4.37Å; K2-E70 IonicContact NZ-OE1 2.68Å
3Q89.7Confident87Confident112 Ų11293.2 Ų93.252%0.52346%0.458SS..PPolyproline II helixtrans-76.7121.1178.8-163.4177.99.700109M1 I8 T67 L68M1-Q3 PolarHBondContact O-N 2.66Å; Q3-I8 HydrophobicContact CG-CD1 3.83Å; Q3-I8 HydrophobicContact CG-CG1 3.88Å; Q3-T67 CarbonylContact O-C 3.57Å; Q3-T67 WeakPolarHBondContact O-CA 3.41Å; Q3-L68 HydrophobicContact CB-CB 4.4Å; Q3-L68 PolarHBondContact O-N 2.66Å
4L92.7Very high87.3Confident36 Ų3686.8 Ų86.819%0.18843%0.427CS..BIsolated β-bridgetrans-83141178.3-62.1174.7000110.3K2 R6 D7 I8 Q65 T67K2-L4 PolarHBondContact O-N 3.35Å; L4-R6 HydrophobicContact CB-CG 4.07Å; L4-R6 PolarHBondContact O-N 3.42Å; L4-D7 PolarHBondContact O-N 2.8Å; L4-D7 VanDerWaalsContact O-N 3.14Å; L4-I8 WeakPolarHBondContact O-CG1 3.44Å; L4-Q65 WeakPolarHBondContact CD2-O 3.4Å; L4-T67 HydrophobicContact CD2-CG2 3.9Å
5V91.4Very high87.2Confident0 Ų088.6 Ų88.60%043%0.434CS..G310 helixtrans-60.9-34.1-179.5172.40000111.7D7 I8 K11 Y57 F62 L66 L71V5-D7 PolarHBondContact O-N 2.73Å; V5-I8 PolarHBondContact O-N 3.1Å; V5-K11 HydrophobicContact CG1-CD 4.46Å; V5-K11 PolarHBondContact O-NZ 3.26Å; V5-Y57 HydrophobicContact CG1-CD2 4.25Å; V5-Y57 HydrophobicContact CG1-CE2 3.54Å; V5-F62 HydrophobicContact CB-CD2 4.34Å; V5-F62 HydrophobicContact CB-CE2 4.22Å; V5-F62 HydrophobicContact CG1-CD2 3.99Å; V5-F62 HydrophobicContact CG1-CE1 4.43Å; V5-F62 HydrophobicContact CG1-CE2 3.75Å; V5-F62 HydrophobicContact CG1-CG 4.45Å; V5-F62 HydrophobicContact CG1-CZ 4Å; V5-L66 HydrophobicContact CG2-CD2 4.23Å; V5-L66 HydrophobicContact CG2-CG 4.1Å; V5-L66 WeakPolarHBondContact CG2-O 3.34Å; V5-L66 PolarHBondContact N-O 3.22Å; V5-L71 HydrophobicContact CG1-CD2 4.39Å; V5-L71 HydrophobicContact CG2-CB 4.13Å; V5-L71 HydrophobicContact CG2-CD2 3.89Å
6R90.7Very high87.1Confident108 Ų10890.6 Ų90.641%0.40844%0.442SS..G310 helixtrans-62-29.5178.269.3174.2-173.1-175.3-1.9113.5L4 H9 K11 F62 D64L4-R6 HydrophobicContact CB-CG 4.07Å; L4-R6 PolarHBondContact O-N 3.42Å; R6-H9 PolarHBondContact O-NE2 3.09Å; R6-K11 VanDerWaalsContact C-NZ 3.25Å; R6-K11 PolarHBondContact O-NZ 3.16Å; R6-F62 HydrophobicContact CB-CE2 4.18Å; R6-D64 WeakPolarHBondContact CD-O 3.44Å; R6-D64 IonicContact CZ-OD2 3.68Å; R6-D64 IonicContact NH1-OD2 4Å; R6-D64 PolarHBondContact NH1-OD2 3.36Å
7D91.8Very high86.9Confident103 Ų10388.1 Ų88.155%0.55144%0.435SS*.G310 helixtrans-88.1-5.6-176.5-56.5-33.2000112.9L4 V5L4-D7 PolarHBondContact O-N 2.8Å; L4-D7 VanDerWaalsContact O-N 3.14Å; V5-D7 PolarHBondContact O-N 2.73Å
8I89.5Confident87Confident24 Ų2487.6 Ų87.612%0.12343%0.427CS..  trans-94.4128.3-176.4-55173.4000110.7Q3 L4 V5 P10 K11 P12 L68Q3-I8 HydrophobicContact CG-CD1 3.83Å; Q3-I8 HydrophobicContact CG-CG1 3.88Å; L4-I8 WeakPolarHBondContact O-CG1 3.44Å; V5-I8 PolarHBondContact O-N 3.1Å; I8-P10 WeakPolarHBondContact CG2-O 3.4Å; I8-K11 WeakPolarHBondContact O-CD 3.36Å; I8-K11 PolarHBondContact O-NZ 3.46Å; I8-P12 HydrophobicContact CD1-CG 4.22Å; I8-P12 HydrophobicContact CG2-CG 4.3Å; I8-L68 HydrophobicContact CD1-CB 4.04Å; I8-L68 HydrophobicContact CD1-CD1 3.85Å; I8-L68 HydrophobicContact CD1-CD2 3.9Å; I8-L68 HydrophobicContact CD1-CG 4.14Å
9H87.3Confident87.1Confident150 Ų15086.1 Ų86.169%0.69442%0.416SS*.SBendtrans-137.7128.7174.6-66.1-85000110.5R6R6-H9 PolarHBondContact O-NE2 3.09Å
10P88.6Confident87.1Confident121 Ų12186.7 Ų86.779%0.78642%0.421SS*.SBendcis-63.3155.8-7.329.6-35.6000112I8I8-P10 WeakPolarHBondContact CG2-O 3.4Å
11K89.7Confident87.1Confident73 Ų7384 Ų8432%0.31741%0.409SS..PPolyproline II helixtrans-60.6142.1178.8-68-69.3171.8-136.80110.1V5 R6 I8 N13 F62V5-K11 HydrophobicContact CG1-CD 4.46Å; V5-K11 PolarHBondContact O-NZ 3.26Å; R6-K11 VanDerWaalsContact C-NZ 3.25Å; R6-K11 PolarHBondContact O-NZ 3.16Å; I8-K11 WeakPolarHBondContact O-CD 3.36Å; I8-K11 PolarHBondContact O-NZ 3.46Å; K11-N13 PolarHBondContact O-N 2.95Å; K11-F62 HydrophobicContact CD-CZ 4.29Å
12P89.8Confident88.5Confident20 Ų2076.2 Ų76.213%0.1338%0.378CS..PPolyproline II helixtrans-53.6124.7177.8-2631.7000112.5I8 I14 Y57 L68 L71 W72I8-P12 HydrophobicContact CD1-CG 4.22Å; I8-P12 HydrophobicContact CG2-CG 4.3Å; P12-I14 PolarHBondContact O-N 3.39Å; P12-Y57 VanDerWaalsContact CD-OH 3.25Å; P12-Y57 WeakPolarHBondContact CD-OH 3.33Å; P12-Y57 WeakPolarHBondContact O-CE1 3.49Å; P12-Y57 PolarHBondContact O-OH 3.48Å; P12-L68 HydrophobicContact CB-CD1 4.2Å; P12-L68 HydrophobicContact CG-CD1 3.56Å; P12-L71 HydrophobicContact CB-CD2 4.4Å; P12-W72 HydrophobicContact CB-CZ2 4.43Å
13N90.9Very high89Confident77 Ų7772.4 Ų72.441%0.41237%0.367SS..  trans-78.7107.2171.4-174.61.3000109.3K11 E15 E16K11-N13 PolarHBondContact O-N 2.95Å; N13-E15 VanDerWaalsContact C-N 3.31Å; N13-E15 WeakPolarHBondContact OD1-CB 3.18Å; N13-E15 PolarHBondContact OD1-N 2.9Å; N13-E16 VanDerWaalsContact ND2-CD 3.28Å; N13-E16 WeakPolarHBondContact ND2-CG 3.47Å; N13-E16 PolarHBondContact ND2-OE1 2.85Å
14I91.2Very high89.1Confident4 Ų471.3 Ų71.32%0.02136%0.358CS..THydrogen-bonded Turntrans-83.5-7.2-18062.6159.7000113.4P12 E16 V54 Y57 R58 L71 W72 K75P12-I14 PolarHBondContact O-N 3.39Å; I14-E16 VanDerWaalsContact C-N 3.26Å; I14-V54 HydrophobicContact CD1-CG1 3.99Å; I14-Y57 HydrophobicContact CB-CE1 4.38Å; I14-Y57 HydrophobicContact CD1-CD1 3.6Å; I14-Y57 HydrophobicContact CD1-CE1 4.23Å; I14-Y57 HydrophobicContact CG1-CD1 3.82Å; I14-Y57 HydrophobicContact CG1-CE1 3.93Å; I14-Y57 HydrophobicContact CG2-CD1 3.97Å; I14-Y57 HydrophobicContact CG2-CE1 3.64Å; I14-R58 HydrophobicContact CD1-CG 4.01Å; I14-L71 HydrophobicContact CG2-CD1 4.23Å; I14-L71 HydrophobicContact CG2-CD2 4Å; I14-L71 HydrophobicContact CG2-CG 4.09Å; I14-W72 HydrophobicContact CG2-CH2 4.45Å; I14-W72 HydrophobicContact CG2-CZ3 4.49Å; I14-K75 HydrophobicContact CB-CD 4.44Å; I14-K75 HydrophobicContact CB-CG 4.38Å; I14-K75 HydrophobicContact CD1-CD 4.3Å; I14-K75 WeakPolarHBondContact O-CE 3.34Å; I14-K75 PolarHBondContact O-NZ 3.11Å; I14-K75 VanDerWaalsContact O-NZ 3.11Å
15E86.9Confident89.1Confident114 Ų11476.9 Ų76.953%0.53338%0.377SS..THydrogen-bonded Turntrans-79.8-14.6173.2-54.4-49.9142.600111.9N13 R58N13-E15 VanDerWaalsContact C-N 3.31Å; N13-E15 WeakPolarHBondContact OD1-CB 3.18Å; N13-E15 PolarHBondContact OD1-N 2.9Å; E15-R58 IonicContact OE1-CZ 3.71Å; E15-R58 IonicContact OE1-NE 2.92Å; E15-R58 PolarHBondContact OE1-NE 2.85Å; E15-R58 IonicContact OE1-NH2 4Å; E15-R58 PolarHBondContact OE1-NH2 3.26Å; E15-R58 VanDerWaalsContact OE1-NH2 3.08Å; E15-R58 IonicContact OE2-CZ 3.04Å; E15-R58 IonicContact OE2-NH2 2.66Å; E15-R58 PolarHBondContact OE2-NH2 3.17Å; E15-R58 VanDerWaalsContact OE2-NH2 3.1Å
16E85.1Confident89.1Confident121 Ų12178.4 Ų78.457%0.56539%0.385SS*.SBendtrans-101.4155.8174.2-73.4174-15400111.8N13 I14 R18N13-E16 VanDerWaalsContact ND2-CD 3.28Å; N13-E16 WeakPolarHBondContact ND2-CG 3.47Å; N13-E16 PolarHBondContact ND2-OE1 2.85Å; I14-E16 VanDerWaalsContact C-N 3.26Å; E16-R18 PolarHBondContact O-N 3.49Å
17P84.5Confident89.2Confident48 Ų4874.2 Ų74.231%0.31237%0.369SS..  trans-55.3137172-2636.3000111.9W19 Q21P17-W19 PolarHBondContact O-N 3.23Å; P17-Q21 HydrophobicContact CB-CG 3.91Å; P17-Q21 HydrophobicContact CG-CG 3.82Å
18R88.6Confident89.1Confident78 Ų7869.3 Ų69.329%0.29434%0.343SS..SBendtrans-48.4-33.6178.4177.8174179.7171.85.4114.6E16 D69 W72E16-R18 PolarHBondContact O-N 3.49Å; R18-D69 IonicContact CZ-OD1 3.38Å; R18-D69 IonicContact NH1-OD1 3.92Å; R18-D69 IonicContact NH2-OD1 3.5Å; R18-D69 PolarHBondContact NH2-OD1 3.08Å; R18-W72 VanDerWaalsContact CA-CH2 3.46Å; R18-W72 HydrophobicContact CB-CD2 3.82Å; R18-W72 HydrophobicContact CB-CE3 3.73Å; R18-W72 HydrophobicContact CB-CH2 3.86Å; R18-W72 HydrophobicContact CB-CZ2 3.93Å; R18-W72 HydrophobicContact CB-CZ3 3.75Å; R18-W72 HydrophobicContact CG-CD2 3.71Å; R18-W72 HydrophobicContact CG-CE3 4.17Å; R18-W72 HydrophobicContact CG-CG 4.06Å; R18-W72 HydrophobicContact CG-CH2 4.44Å; R18-W72 HydrophobicContact CG-CZ2 4.01Å
19W87.7Confident89.2Confident59 Ų5971.6 Ų71.622%0.22335%0.352CS..SBendtrans-117.7146.7-179.2-61.3-74.9000110.3P17 Q21 N26 K29 H30 I33P17-W19 PolarHBondContact O-N 3.23Å; W19-Q21 PolarHBondContact O-N 2.92Å; W19-Q21 PolarHBondContact O-NE2 3.43Å; W19-N26 HydrophobicContact CB-CB 3.72Å; W19-K29 HydrophobicContact CD2-CB 4.06Å; W19-K29 HydrophobicContact CD2-CD 4.33Å; W19-K29 HydrophobicContact CE3-CB 3.7Å; W19-K29 HydrophobicContact CH2-CB 4.1Å; W19-K29 HydrophobicContact CZ2-CB 4.43Å; W19-K29 HydrophobicContact CZ2-CD 4.39Å; W19-K29 HydrophobicContact CZ3-CB 3.72Å; W19-H30 HydrophobicContact CE3-CB 4.35Å; W19-I33 HydrophobicContact CH2-CD1 3.21Å; W19-I33 HydrophobicContact CZ2-CD1 4.46Å; W19-I33 HydrophobicContact CZ3-CD1 3.49Å; W19-I33 VanDerWaalsContact CZ3-CD1 3.49Å
20D87.4Confident89.2Confident98 Ų9866.1 Ų66.152%0.52433%0.327SS..  trans-54.2127.5170.8168.238.6000111S22 N26D20-S22 VanDerWaalsContact C-N 3.3Å; D20-S22 PolarHBondContact O-N 3.37Å; D20-S22 PolarHBondContact OD1-N 3.34Å; D20-S22 VanDerWaalsContact OD1-N 3.16Å; D20-S22 VanDerWaalsContact OD2-CB 3.27Å; D20-S22 WeakPolarHBondContact OD2-CB 3.44Å; D20-S22 PolarHBondContact OD2-OG 2.87Å; D20-N26 WeakPolarHBondContact O-CB 3.31Å; D20-N26 PolarHBondContact O-ND2 3.1Å
21Q87Confident89.1Confident32 Ų3260.8 Ų60.815%0.1529%0.291CS..THydrogen-bonded Turntrans-85.82.7-173.8-61.8-62.2-68.800113.5P17 W19 T23 R27P17-Q21 HydrophobicContact CB-CG 3.91Å; P17-Q21 HydrophobicContact CG-CG 3.82Å; W19-Q21 PolarHBondContact O-N 2.92Å; W19-Q21 PolarHBondContact O-NE2 3.43Å; Q21-T23 VanDerWaalsContact C-N 3.34Å; Q21-T23 PolarHBondContact O-N 2.82Å; Q21-R27 HydrophobicContact CB-CG 4.17Å; Q21-R27 VanDerWaalsContact O-CD 3.31Å; Q21-R27 WeakPolarHBondContact O-CD 3.26Å; Q21-R27 VanDerWaalsContact O-CG 3.26Å; Q21-R27 WeakPolarHBondContact O-CG 3.48Å; Q21-R27 PolarHBondContact O-NH1 3.07Å
22S86.6Confident89.1Confident81 Ų8160.1 Ų60.157%0.56629%0.288SS*.THydrogen-bonded Turntrans-64.6-36.1178.377.50000112.8D20 R27D20-S22 VanDerWaalsContact C-N 3.3Å; D20-S22 PolarHBondContact O-N 3.37Å; D20-S22 PolarHBondContact OD1-N 3.34Å; D20-S22 VanDerWaalsContact OD1-N 3.16Å; D20-S22 VanDerWaalsContact OD2-CB 3.27Å; D20-S22 WeakPolarHBondContact OD2-CB 3.44Å; D20-S22 PolarHBondContact OD2-OG 2.87Å; S22-R27 VanDerWaalsContact C-NH1 3.33Å; S22-R27 PolarHBondContact O-NH1 3.41Å
23T90.9Very high88.9Confident62 Ų6260.8 Ų60.838%0.3829%0.291SS..SBendtrans-96.9142.2-177.370.60000112.4Q21 W25 N26 R27Q21-T23 VanDerWaalsContact C-N 3.34Å; Q21-T23 PolarHBondContact O-N 2.82Å; T23-W25 VanDerWaalsContact C-N 3.27Å; T23-W25 PolarHBondContact O-N 2.68Å; T23-N26 PolarHBondContact O-N 3.01Å; T23-N26 WeakPolarHBondContact OG1-CB 3.01Å; T23-N26 PolarHBondContact OG1-N 2.85Å; T23-N26 PolarHBondContact OG1-ND2 2.64Å; T23-R27 WeakPolarHBondContact O-CG 3.4Å; T23-R27 PolarHBondContact O-N 2.75Å; T23-R27 VanDerWaalsContact O-N 3.13Å
24Y92.2Very high88.3Confident88 Ų8858.9 Ų58.935%0.34528%0.282SS..Hα-helixtrans-56.1-40.9178173.7-96000112.6N26 R27 S28 L274 A277 L278Y24-N26 PolarHBondContact O-N 3.03Å; Y24-R27 PolarHBondContact O-N 3.02Å; Y24-S28 WeakPolarHBondContact CE1-OG 3.39Å; Y24-S28 WeakPolarHBondContact O-CB 3.44Å; Y24-S28 PolarHBondContact O-N 3.11Å; Y24-S28 PolarHBondContact O-OG 3.49Å; Y24-L274 HydrophobicContact CE1-CD2 4.29Å; Y24-L274 WeakPolarHBondContact OH-CB 3.35Å; Y24-L274 WeakPolarHBondContact OH-CD2 3.5Å; Y24-L274 PolarHBondContact OH-O 3.4Å; Y24-A277 HydrophobicContact CD2-CB 4.03Å; Y24-A277 VanDerWaalsContact CD2-O 3.29Å; Y24-A277 WeakPolarHBondContact CD2-O 3.22Å; Y24-A277 HydrophobicContact CE2-CB 3.76Å; Y24-L278 HydrophobicContact CE2-CD2 4.21Å
25W92.8Very high87.8Confident153 Ų15359.1 Ų59.158%0.5828%0.284SS*.Hα-helixtrans-68.3-37.5-176.8-169.2-129.9000112.8T23 S28 K29T23-W25 VanDerWaalsContact C-N 3.27Å; T23-W25 PolarHBondContact O-N 2.68Å; W25-S28 WeakPolarHBondContact O-CB 3.22Å; W25-S28 PolarHBondContact O-N 2.85Å; W25-K29 VanDerWaalsContact NE1-CE 3.26Å; W25-K29 WeakPolarHBondContact O-CG 3.47Å; W25-K29 PolarHBondContact O-N 3.25Å
26N91.9Very high87.8Confident32 Ų3255.5 Ų55.517%0.17127%0.268CS..Hα-helixtrans-69.9-38.9175.2-74.1-8.9000112.3W19 D20 T23 Y24 S28 K29 H30W19-N26 HydrophobicContact CB-CB 3.72Å; D20-N26 WeakPolarHBondContact O-CB 3.31Å; D20-N26 PolarHBondContact O-ND2 3.1Å; T23-N26 PolarHBondContact O-N 3.01Å; T23-N26 WeakPolarHBondContact OG1-CB 3.01Å; T23-N26 PolarHBondContact OG1-N 2.85Å; T23-N26 PolarHBondContact OG1-ND2 2.64Å; Y24-N26 PolarHBondContact O-N 3.03Å; N26-S28 VanDerWaalsContact C-N 3.28Å; N26-S28 PolarHBondContact O-N 2.81Å; N26-K29 PolarHBondContact O-N 3.28Å; N26-H30 PolarHBondContact O-N 3.39Å
27R92.2Very high87.7Confident21 Ų2151.1 Ų51.18%0.07925%0.25CC..Hα-helixtrans-58.8-43.2170.1-65.8-164.6-65.8-85.95111.2Q21 S22 T23 Y24 H30 F31 A277Q21-R27 HydrophobicContact CB-CG 4.17Å; Q21-R27 VanDerWaalsContact O-CD 3.31Å; Q21-R27 WeakPolarHBondContact O-CD 3.26Å; Q21-R27 VanDerWaalsContact O-CG 3.26Å; Q21-R27 WeakPolarHBondContact O-CG 3.48Å; Q21-R27 PolarHBondContact O-NH1 3.07Å; S22-R27 VanDerWaalsContact C-NH1 3.33Å; S22-R27 PolarHBondContact O-NH1 3.41Å; T23-R27 WeakPolarHBondContact O-CG 3.4Å; T23-R27 PolarHBondContact O-N 2.75Å; T23-R27 VanDerWaalsContact O-N 3.13Å; Y24-R27 PolarHBondContact O-N 3.02Å; R27-H30 WeakPolarHBondContact O-CB 3.24Å; R27-H30 PolarHBondContact O-N 3.38Å; R27-F31 WeakPolarHBondContact O-CD2 3.28Å; R27-F31 PolarHBondContact O-N 2.9Å; R27-A277 HydrophobicContact CB-CB 3.72Å; R27-A277 PolarHBondContact NE-O 2.9Å; R27-A277 PolarHBondContact NH2-O 3.23Å
28S91.4Very high87.8Confident0 Ų054 Ų540%026%0.262CS..Hα-helixtrans-61.1-50.1178-580000110.8Y24 W25 N26 H30 F31 F32 A277Y24-S28 WeakPolarHBondContact CE1-OG 3.39Å; Y24-S28 WeakPolarHBondContact O-CB 3.44Å; Y24-S28 PolarHBondContact O-N 3.11Å; Y24-S28 PolarHBondContact O-OG 3.49Å; W25-S28 WeakPolarHBondContact O-CB 3.22Å; W25-S28 PolarHBondContact O-N 2.85Å; N26-S28 VanDerWaalsContact C-N 3.28Å; N26-S28 PolarHBondContact O-N 2.81Å; S28-H30 VanDerWaalsContact C-N 3.29Å; S28-H30 PolarHBondContact O-N 2.96Å; S28-F31 PolarHBondContact O-N 2.97Å; S28-F31 VanDerWaalsContact O-N 3.14Å; S28-F32 WeakPolarHBondContact O-CD2 3.46Å; S28-F32 PolarHBondContact O-N 2.97Å; S28-A277 VanDerWaalsContact OG-CB 3.25Å; S28-A277 WeakPolarHBondContact OG-CB 3.43Å
29K90.7Very high87.6Confident72 Ų7250.2 Ų50.231%0.31325%0.248SC..Hα-helixtrans-55-43.3175.2-73.4176.9-175.41720112.4W19 W25 N26 I33W19-K29 HydrophobicContact CD2-CB 4.06Å; W19-K29 HydrophobicContact CD2-CD 4.33Å; W19-K29 HydrophobicContact CE3-CB 3.7Å; W19-K29 HydrophobicContact CH2-CB 4.1Å; W19-K29 HydrophobicContact CZ2-CB 4.43Å; W19-K29 HydrophobicContact CZ2-CD 4.39Å; W19-K29 HydrophobicContact CZ3-CB 3.72Å; W25-K29 VanDerWaalsContact NE1-CE 3.26Å; W25-K29 WeakPolarHBondContact O-CG 3.47Å; W25-K29 PolarHBondContact O-N 3.25Å; N26-K29 PolarHBondContact O-N 3.28Å; K29-I33 PolarHBondContact O-N 2.77Å
30H88.1Confident87.5Confident35 Ų3549 Ų4916%0.16225%0.245CC..Hα-helixtrans-57.7-52.4175.6174.574.2000110.8W19 N26 R27 S28 F32 I33 T34W19-H30 HydrophobicContact CE3-CB 4.35Å; N26-H30 PolarHBondContact O-N 3.39Å; R27-H30 WeakPolarHBondContact O-CB 3.24Å; R27-H30 PolarHBondContact O-N 3.38Å; S28-H30 VanDerWaalsContact C-N 3.29Å; S28-H30 PolarHBondContact O-N 2.96Å; H30-F32 PolarHBondContact O-N 2.86Å; H30-I33 PolarHBondContact O-N 2.88Å; H30-T34 PolarHBondContact O-N 2.64Å; H30-T34 VanDerWaalsContact O-N 3.08Å; H30-T34 PolarHBondContact O-OG1 2.69Å; H30-T34 VanDerWaalsContact O-OG1 3.07Å
31F86.5Confident87.6Confident8 Ų852.3 Ų52.34%0.03526%0.255CS..Hα-helixtrans-67.7-37.2-178.7-73.4-61.3000114.1R27 S28 I33 T34 T35 P273 C276 A277 L314R27-F31 WeakPolarHBondContact O-CD2 3.28Å; R27-F31 PolarHBondContact O-N 2.9Å; S28-F31 PolarHBondContact O-N 2.97Å; S28-F31 VanDerWaalsContact O-N 3.14Å; F31-I33 PolarHBondContact O-N 3.45Å; F31-I33 VanDerWaalsContact O-N 3.15Å; F31-T34 PolarHBondContact O-N 2.93Å; F31-T34 VanDerWaalsContact O-N 3.14Å; F31-T35 PolarHBondContact O-N 3.18Å; F31-T35 PolarHBondContact O-OG1 3.24Å; F31-P273 HydrophobicContact CB-CB 3.63Å; F31-C276 HydrophobicContact CB-CB 4.2Å; F31-C276 HydrophobicContact CD1-CB 3.81Å; F31-C276 HydrophobicContact CD2-CB 3.5Å; F31-C276 HydrophobicContact CE1-CB 4.05Å; F31-C276 HydrophobicContact CE2-CB 3.74Å; F31-C276 WeakPolarHBondContact CE2-O 3.4Å; F31-C276 HydrophobicContact CG-CB 3.55Å; F31-C276 HydrophobicContact CZ-CB 4.01Å; F31-A277 HydrophobicContact CD2-CB 4.21Å; F31-L314 HydrophobicContact CE1-CD2 3.4Å; F31-L314 VanDerWaalsContact CE1-CD2 3.4Å; F31-L314 HydrophobicContact CZ-CD2 3.5Å; F31-L314 VanDerWaalsContact CZ-CD2 3.5Å
32F88.9Confident87.6Confident59 Ų5951.6 Ų51.626%0.25925%0.254SS..Hα-helixtrans-54.9-35.4176-92.8-71.1000112.3S28 H30 N36 T269 F270 P273 L274S28-F32 WeakPolarHBondContact O-CD2 3.46Å; S28-F32 PolarHBondContact O-N 2.97Å; H30-F32 PolarHBondContact O-N 2.86Å; F32-N36 WeakPolarHBondContact O-CB 3.09Å; F32-N36 PolarHBondContact O-N 3.35Å; F32-T269 WeakPolarHBondContact CE1-O 3.36Å; F32-F270 AromaticContact CE1-CD1 3.86Å; F32-F270 HydrophobicContact CE1-CD1 3.86Å; F32-F270 HydrophobicContact CE1-CE1 4.42Å; F32-F270 AromaticContact CZ-CD1 3.89Å; F32-F270 HydrophobicContact CZ-CD1 3.89Å; F32-P273 HydrophobicContact CB-CB 4.34Å; F32-P273 HydrophobicContact CD1-CB 4.08Å; F32-P273 HydrophobicContact CD1-CG 3.46Å; F32-P273 VanDerWaalsContact CD1-CG 3.46Å; F32-P273 HydrophobicContact CD2-CB 3.88Å; F32-P273 HydrophobicContact CD2-CG 3.96Å; F32-P273 HydrophobicContact CE1-CB 4.3Å; F32-P273 HydrophobicContact CE1-CG 3.35Å; F32-P273 HydrophobicContact CE2-CB 4.09Å; F32-P273 HydrophobicContact CE2-CG 3.84Å; F32-P273 HydrophobicContact CG-CB 3.84Å; F32-P273 HydrophobicContact CG-CG 3.75Å; F32-P273 HydrophobicContact CZ-CB 4.29Å; F32-P273 HydrophobicContact CZ-CG 3.53Å; F32-L274 HydrophobicContact CE2-CD2 4.01Å; F32-L274 HydrophobicContact CE2-CG 4.25Å; F32-L274 HydrophobicContact CZ-CD2 4.39Å; F32-L274 HydrophobicContact CZ-CG 4.22Å
33I85.4Confident87.9Confident35 Ų3551.4 Ų51.418%0.17925%0.249CC..Hα-helixtrans-79.3-44.2178.4-90.1156.4000112W19 K29 H30 F31 T35 N36 Q76W19-I33 HydrophobicContact CH2-CD1 3.21Å; W19-I33 HydrophobicContact CZ2-CD1 4.46Å; W19-I33 HydrophobicContact CZ3-CD1 3.49Å; W19-I33 VanDerWaalsContact CZ3-CD1 3.49Å; K29-I33 PolarHBondContact O-N 2.77Å; H30-I33 PolarHBondContact O-N 2.88Å; F31-I33 PolarHBondContact O-N 3.45Å; F31-I33 VanDerWaalsContact O-N 3.15Å; I33-T35 VanDerWaalsContact C-N 3.31Å; I33-T35 PolarHBondContact O-N 3.21Å; I33-N36 VanDerWaalsContact O-CB 3.27Å; I33-N36 WeakPolarHBondContact O-CB 3.45Å; I33-N36 PolarHBondContact O-N 3.03Å; I33-Q76 HydrophobicContact CG2-CB 3.91Å; I33-Q76 HydrophobicContact CG2-CG 3.21Å; I33-Q76 VanDerWaalsContact CG2-NE2 3.33Å
34T78.8Confident87.8Confident36 Ų3653.4 Ų53.422%0.22126%0.258CS..Hα-helixtrans-65-37.8-178.8-57.90000111.3H30 F31 N36H30-T34 PolarHBondContact O-N 2.64Å; H30-T34 VanDerWaalsContact O-N 3.08Å; H30-T34 PolarHBondContact O-OG1 2.69Å; H30-T34 VanDerWaalsContact O-OG1 3.07Å; F31-T34 PolarHBondContact O-N 2.93Å; F31-T34 VanDerWaalsContact O-N 3.14Å; T34-N36 VanDerWaalsContact C-N 3.34Å
35T80.3Confident87.8Confident10 Ų1057.6 Ų57.66%0.06128%0.278CS..THydrogen-bonded Turntrans-93.513179.267.70000113.1F31 I33 P37 T272F31-T35 PolarHBondContact O-N 3.18Å; F31-T35 PolarHBondContact O-OG1 3.24Å; I33-T35 VanDerWaalsContact C-N 3.31Å; I33-T35 PolarHBondContact O-N 3.21Å; T35-P37 VanDerWaalsContact O-CD 3.23Å; T35-P37 WeakPolarHBondContact O-CD 3.46Å; T35-P37 VanDerWaalsContact O-N 3.15Å; T35-T272 HydrophobicContact CG2-CG2 4.21Å
36N86.3Confident87.8Confident37 Ų3754.9 Ų54.920%0.19827%0.271CS..  trans-66.4113.6-175.9-173.6-15.7000110.7F32 I33 T34 L38 N39 S97F32-N36 WeakPolarHBondContact O-CB 3.09Å; F32-N36 PolarHBondContact O-N 3.35Å; I33-N36 VanDerWaalsContact O-CB 3.27Å; I33-N36 WeakPolarHBondContact O-CB 3.45Å; I33-N36 PolarHBondContact O-N 3.03Å; T34-N36 VanDerWaalsContact C-N 3.34Å; N36-L38 PolarHBondContact O-N 3.16Å; N36-L38 VanDerWaalsContact OD1-CB 3.22Å; N36-L38 WeakPolarHBondContact OD1-CB 3.21Å; N36-L38 VanDerWaalsContact OD1-CG 3.32Å; N36-L38 WeakPolarHBondContact OD1-CG 3.24Å; N36-L38 PolarHBondContact OD1-N 2.79Å; N36-N39 WeakPolarHBondContact O-CB 3.41Å; N36-N39 PolarHBondContact O-N 3.3Å; N36-S97 WeakPolarHBondContact O-CB 3.48Å
37P84.5Confident87.8Confident30 Ų3053.6 Ų53.620%0.19526%0.264CS..G310 helixtrans-66.6-20.4-177.528.6-35.7000112.6T35 N39 L40 P101T35-P37 VanDerWaalsContact O-CD 3.23Å; T35-P37 WeakPolarHBondContact O-CD 3.46Å; T35-P37 VanDerWaalsContact O-N 3.15Å; P37-N39 PolarHBondContact O-N 2.77Å; P37-N39 VanDerWaalsContact O-N 3.15Å; P37-L40 VanDerWaalsContact O-CB 3.29Å; P37-L40 WeakPolarHBondContact O-CB 3.07Å; P37-L40 WeakPolarHBondContact O-CG 3.19Å; P37-L40 PolarHBondContact O-N 2.86Å; P37-P101 HydrophobicContact CB-CG 3.62Å
38L86.2Confident87.8Confident107 Ų10756.7 Ų56.756%0.5629%0.288SS*.G310 helixtrans-61.9-24.1177.9-61178.2000112.6N36 L40 F41N36-L38 PolarHBondContact O-N 3.16Å; N36-L38 VanDerWaalsContact OD1-CB 3.22Å; N36-L38 WeakPolarHBondContact OD1-CB 3.21Å; N36-L38 VanDerWaalsContact OD1-CG 3.32Å; N36-L38 WeakPolarHBondContact OD1-CG 3.24Å; N36-L38 PolarHBondContact OD1-N 2.79Å; L38-L40 PolarHBondContact O-N 3.05Å; L38-F41 PolarHBondContact O-N 2.93Å; L38-F41 VanDerWaalsContact O-N 3.1Å
39N84.6Confident88Confident0 Ų060.5 Ų60.50%031%0.306CS..G310 helixtrans-66.6-17.2176.9-64.4-15.1000112.4N36 P37 F41 C42 R73 S80N36-N39 WeakPolarHBondContact O-CB 3.41Å; N36-N39 PolarHBondContact O-N 3.3Å; P37-N39 PolarHBondContact O-N 2.77Å; P37-N39 VanDerWaalsContact O-N 3.15Å; N39-F41 VanDerWaalsContact C-N 3.27Å; N39-F41 PolarHBondContact O-N 3.02Å; N39-C42 WeakPolarHBondContact O-CB 3.22Å; N39-C42 PolarHBondContact O-N 3.23Å; N39-R73 PolarHBondContact OD1-NH1 3.31Å; N39-S80 PolarHBondContact ND2-OG 3.37Å
40L84.9Confident88.1Confident32 Ų3257.4 Ų57.417%0.16829%0.294CS..G310 helixtrans-68-27.5172.5-63.6172.4000112.9P37 L38 C42 I92 S97 A98 P101P37-L40 VanDerWaalsContact O-CB 3.29Å; P37-L40 WeakPolarHBondContact O-CB 3.07Å; P37-L40 WeakPolarHBondContact O-CG 3.19Å; P37-L40 PolarHBondContact O-N 2.86Å; L38-L40 PolarHBondContact O-N 3.05Å; L40-C42 VanDerWaalsContact C-N 3.32Å; L40-I92 HydrophobicContact CD2-CG1 3.91Å; L40-S97 WeakPolarHBondContact CD1-O 3.19Å; L40-S97 VanDerWaalsContact CD2-OG 3.27Å; L40-S97 WeakPolarHBondContact CD2-OG 3.25Å; L40-A98 HydrophobicContact CD1-CB 4.42Å; L40-A98 HydrophobicContact CD2-CB 3.99Å; L40-P101 HydrophobicContact CD1-CG 3.85Å
41F89Confident88.4Confident168 Ų16858.5 Ų58.574%0.73730%0.298SS*.G310 helixtrans-89.73.6-179-58.2-70.9000113L38 N39 T43L38-F41 PolarHBondContact O-N 2.93Å; L38-F41 VanDerWaalsContact O-N 3.1Å; N39-F41 VanDerWaalsContact C-N 3.27Å; N39-F41 PolarHBondContact O-N 3.02Å; F41-T43 PolarHBondContact O-N 2.95Å
42C88.5Confident88.8Confident18 Ų1863.9 Ų63.912%0.12232%0.318CS..  trans-64.4126.5174.9-720000111N39 L40 Q46 L47N39-C42 WeakPolarHBondContact O-CB 3.22Å; N39-C42 PolarHBondContact O-N 3.23Å; L40-C42 VanDerWaalsContact C-N 3.32Å; C42-Q46 HydrophobicContact CB-CB 4.47Å; C42-L47 HydrophobicContact CB-CD2 3.6Å; C42-L47 HydrophobicContact CB-CG 4.26Å
43T91.3Very high89.1Confident77 Ų7762.4 Ų62.447%0.47231%0.313SS..  trans-66.8154.217762.40000111.3F41 K45 Q46 L47F41-T43 PolarHBondContact O-N 2.95Å; T43-K45 PolarHBondContact O-N 3.21Å; T43-K45 VanDerWaalsContact O-N 3.09Å; T43-Q46 WeakPolarHBondContact O-CB 3.44Å; T43-Q46 PolarHBondContact O-N 2.93Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.36Å; T43-Q46 PolarHBondContact OG1-N 2.82Å; T43-Q46 PolarHBondContact OG1-OE1 3.48Å; T43-L47 WeakPolarHBondContact O-CG 3.37Å; T43-L47 PolarHBondContact O-N 2.77Å
44N89.7Confident89.5Confident104 Ų10460.7 Ų60.756%0.55630%0.304SS*.Hα-helixtrans-53-35.6175.8-74-44.6000112.6L47 C48 K89N44-L47 PolarHBondContact O-N 3.36Å; N44-C48 PolarHBondContact O-N 2.92Å; N44-C48 PolarHBondContact O-SG 2.66Å; N44-K89 PolarHBondContact OD1-NZ 3.41Å
45K92.5Very high90.2Very high176 Ų17661.7 Ų61.777%0.76531%0.306SS*.Hα-helixtrans-61.1-46.9175.1-172.9178.8179.6-179.60112.1T43 L47 C48 E49T43-K45 PolarHBondContact O-N 3.21Å; T43-K45 VanDerWaalsContact O-N 3.09Å; K45-L47 VanDerWaalsContact C-N 3.31Å; K45-L47 PolarHBondContact O-N 3.44Å; K45-C48 PolarHBondContact O-N 3.07Å; K45-E49 WeakPolarHBondContact O-CB 3.44Å; K45-E49 PolarHBondContact O-N 3.45Å
46Q92.7Very high90.8Very high95 Ų9563.1 Ų63.144%0.44431%0.313SS..Hα-helixtrans-64-37.3176.7-72167.2-49.300112C42 T43 S50C42-Q46 HydrophobicContact CB-CB 4.47Å; T43-Q46 WeakPolarHBondContact O-CB 3.44Å; T43-Q46 PolarHBondContact O-N 2.93Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.36Å; T43-Q46 PolarHBondContact OG1-N 2.82Å; T43-Q46 PolarHBondContact OG1-OE1 3.48Å; Q46-S50 WeakPolarHBondContact O-CB 3.47Å; Q46-S50 PolarHBondContact O-N 3.05Å; Q46-S50 PolarHBondContact O-OG 2.87Å
47L92.1Very high91.3Very high5 Ų562.4 Ų62.43%0.02631%0.308CS..Hα-helixtrans-65.8-46.8177.1-60-177.6000111.6C42 T43 N44 K45 S50 K51 I77 T81 F82C42-L47 HydrophobicContact CB-CD2 3.6Å; C42-L47 HydrophobicContact CB-CG 4.26Å; T43-L47 WeakPolarHBondContact O-CG 3.37Å; T43-L47 PolarHBondContact O-N 2.77Å; N44-L47 PolarHBondContact O-N 3.36Å; K45-L47 VanDerWaalsContact C-N 3.31Å; K45-L47 PolarHBondContact O-N 3.44Å; L47-S50 PolarHBondContact O-N 3.33Å; L47-K51 PolarHBondContact O-N 3.32Å; L47-I77 HydrophobicContact CD2-CG2 3.47Å; L47-I77 VanDerWaalsContact CD2-CG2 3.47Å; L47-T81 HydrophobicContact CB-CG2 4.45Å; L47-T81 HydrophobicContact CD1-CG2 3.91Å; L47-T81 HydrophobicContact CD2-CG2 3.91Å; L47-T81 WeakPolarHBondContact CD2-OG1 3.43Å; L47-T81 HydrophobicContact CG-CG2 4.29Å; L47-F82 HydrophobicContact CB-CZ 4.38Å
48C92.5Very high91.6Very high86 Ų8664.9 Ų64.958%0.58131%0.314SS*.Hα-helixtrans-62.4-42.9177.1-68.90000111.7N44 K45 K51 R52N44-C48 PolarHBondContact O-N 2.92Å; N44-C48 PolarHBondContact O-SG 2.66Å; K45-C48 PolarHBondContact O-N 3.07Å; C48-K51 PolarHBondContact O-N 3.29Å; C48-R52 WeakPolarHBondContact O-CB 3.47Å; C48-R52 PolarHBondContact O-N 3.04Å
49E94.1Very high91.9Very high80 Ų8066.4 Ų66.437%0.37432%0.316SS..Hα-helixtrans-64.4-42.1177.5-178.460.2-173.600111.9K45 K51 R52 I53K45-E49 WeakPolarHBondContact O-CB 3.44Å; K45-E49 PolarHBondContact O-N 3.45Å; E49-K51 VanDerWaalsContact C-N 3.34Å; E49-K51 PolarHBondContact O-N 2.9Å; E49-R52 PolarHBondContact O-N 3.41Å; E49-R52 IonicContact OE1-CZ 2.64Å; E49-R52 IonicContact OE1-NE 2.76Å; E49-R52 IonicContact OE1-NH2 3.48Å; E49-R52 PolarHBondContact OE1-NH2 2.89Å; E49-R52 IonicContact OE2-CZ 3.19Å; E49-R52 IonicContact OE2-NE 3.53Å; E49-R52 PolarHBondContact OE2-NE 2.91Å; E49-R52 IonicContact OE2-NH2 3.38Å; E49-R52 PolarHBondContact OE2-NH2 2.85Å; E49-I53 HydrophobicContact CG-CD1 4.04Å; E49-I53 WeakPolarHBondContact O-CG1 3.48Å; E49-I53 PolarHBondContact O-N 2.81Å
50S93.9Very high92.3Very high8 Ų869 Ų696%0.05634%0.342CS..Hα-helixtrans-62.3-41.7176-58.90000111.8Q46 L47 I53 V54 I77Q46-S50 WeakPolarHBondContact O-CB 3.47Å; Q46-S50 PolarHBondContact O-N 3.05Å; Q46-S50 PolarHBondContact O-OG 2.87Å; L47-S50 PolarHBondContact O-N 3.33Å; S50-I53 PolarHBondContact O-N 3.44Å; S50-V54 VanDerWaalsContact O-CG2 3.31Å; S50-V54 WeakPolarHBondContact O-CG2 3.38Å; S50-V54 PolarHBondContact O-N 3.19Å; S50-V54 VanDerWaalsContact O-N 3.1Å; S50-I77 WeakPolarHBondContact OG-CG2 3.29Å
51K93.5Very high92.6Very high58 Ų5872.9 Ų72.925%0.25236%0.36SS..Hα-helixtrans-59.6-48173.1175.2161.7-171.61750112L47 C48 E49 I53 V54 E55 Y78 F82 K87L47-K51 PolarHBondContact O-N 3.32Å; C48-K51 PolarHBondContact O-N 3.29Å; E49-K51 VanDerWaalsContact C-N 3.34Å; E49-K51 PolarHBondContact O-N 2.9Å; K51-I53 PolarHBondContact O-N 3.25Å; K51-V54 PolarHBondContact O-N 2.64Å; K51-E55 VanDerWaalsContact CE-CD 3.48Å; K51-E55 WeakPolarHBondContact CE-OE1 3.45Å; K51-E55 WeakPolarHBondContact CE-OE2 3.37Å; K51-E55 HydrophobicContact CG-CG 4.32Å; K51-E55 IonicContact NZ-OE1 3.23Å; K51-E55 WeakPolarHBondContact O-CB 3.17Å; K51-E55 WeakPolarHBondContact O-CG 3.38Å; K51-E55 PolarHBondContact O-N 3.38Å; K51-Y78 HydrophobicContact CB-CD2 4.05Å; K51-Y78 HydrophobicContact CB-CE2 4.14Å; K51-Y78 HydrophobicContact CD-CE2 4.46Å; K51-Y78 HydrophobicContact CG-CD2 4.38Å; K51-Y78 HydrophobicContact CG-CE2 3.95Å; K51-F82 HydrophobicContact CB-CE2 3.77Å; K51-F82 HydrophobicContact CB-CZ 3.83Å; K51-F82 HydrophobicContact CD-CD1 4.15Å; K51-F82 HydrophobicContact CD-CE1 3.7Å; K51-F82 HydrophobicContact CD-CE2 4.29Å; K51-F82 HydrophobicContact CD-CZ 3.78Å; K51-F82 HydrophobicContact CG-CZ 4.38Å; K51-K87 PolarHBondContact NZ-O 3.14Å
52R94.4Very high92.7Very high120 Ų12067.7 Ų67.745%0.45334%0.337SS..Hα-helixtrans-59.3-47.6178.3-169.7-173.771.180.1-0.7112.1C48 E49 V54 N56C48-R52 WeakPolarHBondContact O-CB 3.47Å; C48-R52 PolarHBondContact O-N 3.04Å; E49-R52 PolarHBondContact O-N 3.41Å; E49-R52 IonicContact OE1-CZ 2.64Å; E49-R52 IonicContact OE1-NE 2.76Å; E49-R52 IonicContact OE1-NH2 3.48Å; E49-R52 PolarHBondContact OE1-NH2 2.89Å; E49-R52 IonicContact OE2-CZ 3.19Å; E49-R52 IonicContact OE2-NE 3.53Å; E49-R52 PolarHBondContact OE2-NE 2.91Å; E49-R52 IonicContact OE2-NH2 3.38Å; E49-R52 PolarHBondContact OE2-NH2 2.85Å; R52-V54 PolarHBondContact O-N 3.33Å; R52-N56 WeakPolarHBondContact O-CB 3.35Å; R52-N56 PolarHBondContact O-N 3.43Å; R52-N56 PolarHBondContact O-OD1 3.27Å
53I95.4Very high92.7Very high28 Ų2871.7 Ų71.714%0.14436%0.357CS..Hα-helixtrans-59.3-48.1178.7-70.5165.5000110.9E49 S50 K51 Y57 L66 L71 A74E49-I53 HydrophobicContact CG-CD1 4.04Å; E49-I53 WeakPolarHBondContact O-CG1 3.48Å; E49-I53 PolarHBondContact O-N 2.81Å; S50-I53 PolarHBondContact O-N 3.44Å; K51-I53 PolarHBondContact O-N 3.25Å; I53-Y57 WeakPolarHBondContact O-CB 3.46Å; I53-Y57 PolarHBondContact O-N 3.32Å; I53-L66 HydrophobicContact CG2-CD1 4.13Å; I53-L66 HydrophobicContact CG2-CD2 4.15Å; I53-L71 HydrophobicContact CG2-CD1 4.17Å; I53-A74 HydrophobicContact CB-CB 3.84Å; I53-A74 HydrophobicContact CD1-CB 4.02Å; I53-A74 HydrophobicContact CG2-CB 3.63Å
54V94.1Very high92.6Very high0 Ų072 Ų720%036%0.356CS..Hα-helixtrans-67.2-46.1-177.4170.10000111.7I14 S50 K51 R52 Y57 R58 A74 K75 Y78I14-V54 HydrophobicContact CD1-CG1 3.99Å; S50-V54 VanDerWaalsContact O-CG2 3.31Å; S50-V54 WeakPolarHBondContact O-CG2 3.38Å; S50-V54 PolarHBondContact O-N 3.19Å; S50-V54 VanDerWaalsContact O-N 3.1Å; K51-V54 PolarHBondContact O-N 2.64Å; R52-V54 PolarHBondContact O-N 3.33Å; V54-Y57 PolarHBondContact O-N 3.18Å; V54-R58 WeakPolarHBondContact O-CG 3.35Å; V54-R58 PolarHBondContact O-N 2.76Å; V54-A74 HydrophobicContact CG2-CB 4.28Å; V54-K75 HydrophobicContact CG1-CD 4.08Å; V54-K75 HydrophobicContact CG2-CB 4.18Å; V54-K75 HydrophobicContact CG2-CD 4.08Å; V54-Y78 HydrophobicContact CB-CD2 4.2Å; V54-Y78 HydrophobicContact CB-CG 4.2Å; V54-Y78 HydrophobicContact CG1-CD1 4.03Å; V54-Y78 HydrophobicContact CG1-CD2 4.27Å; V54-Y78 HydrophobicContact CG1-CE1 4.19Å; V54-Y78 HydrophobicContact CG1-CE2 4.39Å; V54-Y78 HydrophobicContact CG1-CG 4.05Å; V54-Y78 HydrophobicContact CG2-CD2 4.48Å; V54-Y78 HydrophobicContact CG2-CG 4.13Å
55E93.5Very high92.7Very high57 Ų5774 Ų7427%0.26636%0.362SS..Hα-helixtrans-69.3-39-178.5-71-177.6168.500112.3K51 R58 K59K51-E55 VanDerWaalsContact CE-CD 3.48Å; K51-E55 WeakPolarHBondContact CE-OE1 3.45Å; K51-E55 WeakPolarHBondContact CE-OE2 3.37Å; K51-E55 HydrophobicContact CG-CG 4.32Å; K51-E55 IonicContact NZ-OE1 3.23Å; K51-E55 WeakPolarHBondContact O-CB 3.17Å; K51-E55 WeakPolarHBondContact O-CG 3.38Å; K51-E55 PolarHBondContact O-N 3.38Å; E55-R58 PolarHBondContact O-N 3.06Å; E55-K59 WeakPolarHBondContact O-CG 3.36Å; E55-K59 PolarHBondContact O-N 2.85Å
56N94.3Very high92.7Very high40 Ų4066.4 Ų66.421%0.21433%0.329CS..Hα-helixtrans-68.3-41.9175.4-66.84.9000110.5R52 R58 K59 G60 E61R52-N56 WeakPolarHBondContact O-CB 3.35Å; R52-N56 PolarHBondContact O-N 3.43Å; R52-N56 PolarHBondContact O-OD1 3.27Å; N56-R58 VanDerWaalsContact C-N 3.3Å; N56-R58 PolarHBondContact O-N 3.32Å; N56-K59 CarbonylContact O-C 3.58Å; N56-K59 WeakPolarHBondContact O-CA 3.34Å; N56-K59 WeakPolarHBondContact O-CB 3.26Å; N56-K59 PolarHBondContact O-N 3.34Å; N56-G60 PolarHBondContact O-N 3.48Å; N56-E61 CarbonylContact C-O 3.59Å; N56-E61 HydrophobicContact CB-CB 4.2Å; N56-E61 WeakPolarHBondContact CB-O 3.38Å; N56-E61 CarbonylContact O-C 3.58Å; N56-E61 PolarHBondContact O-N 2.97Å
57Y94.9Very high92.8Very high22 Ų2262.3 Ų62.39%0.08631%0.311CS..Hα-helixtrans-58.8-40.5175.3-176.6-96.7000112.5V5 P12 I14 I53 V54 K59 G60 E61 F62 L71V5-Y57 HydrophobicContact CG1-CD2 4.25Å; V5-Y57 HydrophobicContact CG1-CE2 3.54Å; P12-Y57 VanDerWaalsContact CD-OH 3.25Å; P12-Y57 WeakPolarHBondContact CD-OH 3.33Å; P12-Y57 WeakPolarHBondContact O-CE1 3.49Å; P12-Y57 PolarHBondContact O-OH 3.48Å; I14-Y57 HydrophobicContact CB-CE1 4.38Å; I14-Y57 HydrophobicContact CD1-CD1 3.6Å; I14-Y57 HydrophobicContact CD1-CE1 4.23Å; I14-Y57 HydrophobicContact CG1-CD1 3.82Å; I14-Y57 HydrophobicContact CG1-CE1 3.93Å; I14-Y57 HydrophobicContact CG2-CD1 3.97Å; I14-Y57 HydrophobicContact CG2-CE1 3.64Å; I53-Y57 WeakPolarHBondContact O-CB 3.46Å; I53-Y57 PolarHBondContact O-N 3.32Å; V54-Y57 PolarHBondContact O-N 3.18Å; Y57-K59 PolarHBondContact O-N 3.44Å; Y57-G60 PolarHBondContact O-N 3.06Å; Y57-E61 PolarHBondContact N-O 2.98Å; Y57-F62 HydrophobicContact CD2-CB 4.33Å; Y57-F62 AromaticContact CD2-CD1 3.72Å; Y57-F62 HydrophobicContact CD2-CD1 3.72Å; Y57-F62 HydrophobicContact CD2-CE1 4.34Å; Y57-F62 HydrophobicContact CD2-CG 4.13Å; Y57-F62 HydrophobicContact CE2-CD1 4.08Å; Y57-F62 HydrophobicContact CE2-CE1 4.25Å; Y57-L71 HydrophobicContact CD1-CD1 4Å; Y57-L71 HydrophobicContact CD1-CD2 4.34Å; Y57-L71 HydrophobicContact CD2-CD1 3.93Å; Y57-L71 HydrophobicContact CD2-CD2 3.95Å; Y57-L71 HydrophobicContact CE1-CD2 4.04Å; Y57-L71 HydrophobicContact CE2-CD1 4.48Å; Y57-L71 HydrophobicContact CE2-CD2 3.66Å; Y57-L71 HydrophobicContact CG-CD1 3.65Å; Y57-L71 HydrophobicContact CG-CD2 4.27Å
58R92.8Very high92.8Very high82 Ų8263.5 Ų63.531%0.30932%0.317SS..Hα-helixtrans-60.6-31.1173.6-75.4172.7169.6151.8-2.8113.4I14 E15 V54 E55 N56 G60 Y78I14-R58 HydrophobicContact CD1-CG 4.01Å; E15-R58 IonicContact OE1-CZ 3.71Å; E15-R58 IonicContact OE1-NE 2.92Å; E15-R58 PolarHBondContact OE1-NE 2.85Å; E15-R58 IonicContact OE1-NH2 4Å; E15-R58 PolarHBondContact OE1-NH2 3.26Å; E15-R58 VanDerWaalsContact OE1-NH2 3.08Å; E15-R58 IonicContact OE2-CZ 3.04Å; E15-R58 IonicContact OE2-NH2 2.66Å; E15-R58 PolarHBondContact OE2-NH2 3.17Å; E15-R58 VanDerWaalsContact OE2-NH2 3.1Å; V54-R58 WeakPolarHBondContact O-CG 3.35Å; V54-R58 PolarHBondContact O-N 2.76Å; E55-R58 PolarHBondContact O-N 3.06Å; N56-R58 VanDerWaalsContact C-N 3.3Å; N56-R58 PolarHBondContact O-N 3.32Å; R58-G60 VanDerWaalsContact C-N 3.28Å; R58-Y78 PolarHBondContact NH1-OH 3.35Å
59K92.5Very high92.8Very high139 Ų13963.5 Ų63.560%0.60431%0.311SS*.THydrogen-bonded Turntrans-82-4.8175.1-64.3170.7-175.71770113E55 N56 Y57 E61E55-K59 WeakPolarHBondContact O-CG 3.36Å; E55-K59 PolarHBondContact O-N 2.85Å; N56-K59 CarbonylContact O-C 3.58Å; N56-K59 WeakPolarHBondContact O-CA 3.34Å; N56-K59 WeakPolarHBondContact O-CB 3.26Å; N56-K59 PolarHBondContact O-N 3.34Å; Y57-K59 PolarHBondContact O-N 3.44Å; K59-E61 VanDerWaalsContact C-N 3.29Å; K59-E61 HydrophobicContact CB-CG 4.28Å
60G91.6Very high92.8Very high54 Ų5463.6 Ų63.656%0.55731%0.312SS*.THydrogen-bonded Turntrans80.18.3-17200000114N56 Y57 R58N56-G60 PolarHBondContact O-N 3.48Å; Y57-G60 PolarHBondContact O-N 3.06Å; R58-G60 VanDerWaalsContact C-N 3.28Å
61E90.9Very high92.9Very high114 Ų11463.2 Ų63.253%0.53331%0.309SS..  trans-99.6105.6-179.6-64.3171.3-170.700109.2N56 Y57 K59N56-E61 CarbonylContact C-O 3.59Å; N56-E61 HydrophobicContact CB-CB 4.2Å; N56-E61 WeakPolarHBondContact CB-O 3.38Å; N56-E61 CarbonylContact O-C 3.58Å; N56-E61 PolarHBondContact O-N 2.97Å; Y57-E61 PolarHBondContact N-O 2.98Å; K59-E61 VanDerWaalsContact C-N 3.29Å; K59-E61 HydrophobicContact CB-CG 4.28Å
62F91Very high92.9Very high58 Ų5861.5 Ų61.525%0.25430%0.301SS..  trans-143153.8174.755.7-90.5000111.1V5 R6 K11 Y57 L66V5-F62 HydrophobicContact CB-CD2 4.34Å; V5-F62 HydrophobicContact CB-CE2 4.22Å; V5-F62 HydrophobicContact CG1-CD2 3.99Å; V5-F62 HydrophobicContact CG1-CE1 4.43Å; V5-F62 HydrophobicContact CG1-CE2 3.75Å; V5-F62 HydrophobicContact CG1-CG 4.45Å; V5-F62 HydrophobicContact CG1-CZ 4Å; R6-F62 HydrophobicContact CB-CE2 4.18Å; K11-F62 HydrophobicContact CD-CZ 4.29Å; Y57-F62 HydrophobicContact CD2-CB 4.33Å; Y57-F62 AromaticContact CD2-CD1 3.72Å; Y57-F62 HydrophobicContact CD2-CD1 3.72Å; Y57-F62 HydrophobicContact CD2-CE1 4.34Å; Y57-F62 HydrophobicContact CD2-CG 4.13Å; Y57-F62 HydrophobicContact CE2-CD1 4.08Å; Y57-F62 HydrophobicContact CE2-CE1 4.25Å; F62-L66 HydrophobicContact CB-CD2 3.95Å
63N89.4Confident92.7Very high102 Ų10260.3 Ų60.355%0.54530%0.296SS..  trans-68.1134.3175.4-176.2-22000109.1Q65 L66N63-Q65 PolarHBondContact O-N 2.89Å; N63-Q65 VanDerWaalsContact O-N 3.08Å; N63-Q65 WeakPolarHBondContact OD1-CB 3.36Å; N63-Q65 PolarHBondContact OD1-N 2.69Å; N63-L66 WeakPolarHBondContact O-CB 3.42Å; N63-L66 PolarHBondContact O-N 3.39Å
64D88.5Confident92.6Very high84 Ų8459.1 Ų59.145%0.44929%0.291SS..THydrogen-bonded Turntrans-52.5-26.7173.3-91.220.4000114.5R6R6-D64 WeakPolarHBondContact CD-O 3.44Å; R6-D64 IonicContact CZ-OD2 3.68Å; R6-D64 IonicContact NH1-OD2 4Å; R6-D64 PolarHBondContact NH1-OD2 3.36Å
65Q92.1Very high92.5Very high147 Ų14759.8 Ų59.869%0.68729%0.294SS*.THydrogen-bonded Turntrans-86.5-4.4177.6-60.8-178.1-7.100113.4L4 N63 T67L4-Q65 WeakPolarHBondContact CD2-O 3.4Å; N63-Q65 PolarHBondContact O-N 2.89Å; N63-Q65 VanDerWaalsContact O-N 3.08Å; N63-Q65 WeakPolarHBondContact OD1-CB 3.36Å; N63-Q65 PolarHBondContact OD1-N 2.69Å; Q65-T67 PolarHBondContact O-N 2.82Å
66L93.3Very high92.3Very high16 Ų1658.2 Ų58.28%0.08429%0.287CS..  trans-63.6119.6178.8-178.366.2000109.7V5 I53 F62 N63 E70 L71V5-L66 HydrophobicContact CG2-CD2 4.23Å; V5-L66 HydrophobicContact CG2-CG 4.1Å; V5-L66 WeakPolarHBondContact CG2-O 3.34Å; V5-L66 PolarHBondContact N-O 3.22Å; I53-L66 HydrophobicContact CG2-CD1 4.13Å; I53-L66 HydrophobicContact CG2-CD2 4.15Å; F62-L66 HydrophobicContact CB-CD2 3.95Å; N63-L66 WeakPolarHBondContact O-CB 3.42Å; N63-L66 PolarHBondContact O-N 3.39Å; L66-E70 HydrophobicContact CD1-CB 3.79Å; L66-L71 HydrophobicContact CD2-CB 4.17Å; L66-L71 HydrophobicContact CD2-CD1 4.24Å; L66-L71 HydrophobicContact CG-CB 4.38Å
67T94.3Very high92.1Very high9 Ų956.8 Ų56.86%0.05528%0.279CS..BIsolated β-bridgetrans-85.6154.6177.566.50000110.9K2 Q3 L4 Q65 D69 E70 L71K2-T67 HydrophobicContact CB-CG2 3.73Å; K2-T67 HydrophobicContact CD-CG2 3.68Å; K2-T67 HydrophobicContact CG-CG2 4.37Å; Q3-T67 CarbonylContact O-C 3.57Å; Q3-T67 WeakPolarHBondContact O-CA 3.41Å; L4-T67 HydrophobicContact CD2-CG2 3.9Å; Q65-T67 PolarHBondContact O-N 2.82Å; T67-D69 PolarHBondContact O-N 3.48Å; T67-E70 WeakPolarHBondContact CB-OE2 3.12Å; T67-E70 WeakPolarHBondContact CG2-OE2 3.36Å; T67-E70 PolarHBondContact N-OE2 2.91Å; T67-E70 PolarHBondContact O-N 3.07Å; T67-E70 WeakPolarHBondContact OG1-CB 3.19Å; T67-E70 WeakPolarHBondContact OG1-CG 3.22Å; T67-E70 PolarHBondContact OG1-N 3.21Å; T67-E70 PolarHBondContact OG1-OE2 3.41Å; T67-L71 PolarHBondContact O-N 3.49Å
68L92.9Very high91.9Very high30 Ų3055.9 Ų55.916%0.15728%0.275CS..Hα-helixtrans-57-40.3177.7-178.261.4000111.9Q3 I8 P12 L71 W72Q3-L68 HydrophobicContact CB-CB 4.4Å; Q3-L68 PolarHBondContact O-N 2.66Å; I8-L68 HydrophobicContact CD1-CB 4.04Å; I8-L68 HydrophobicContact CD1-CD1 3.85Å; I8-L68 HydrophobicContact CD1-CD2 3.9Å; I8-L68 HydrophobicContact CD1-CG 4.14Å; P12-L68 HydrophobicContact CB-CD1 4.2Å; P12-L68 HydrophobicContact CG-CD1 3.56Å; L68-L71 PolarHBondContact O-N 2.86Å; L68-W72 PolarHBondContact O-N 3.01Å
69D92.4Very high91.5Very high86 Ų8655.5 Ų55.546%0.4628%0.279SS..Hα-helixtrans-69.4-36.2179.1-73.7-40.4000112.6R18 T67 R73R18-D69 IonicContact CZ-OD1 3.38Å; R18-D69 IonicContact NH1-OD1 3.92Å; R18-D69 IonicContact NH2-OD1 3.5Å; R18-D69 PolarHBondContact NH2-OD1 3.08Å; T67-D69 PolarHBondContact O-N 3.48Å; D69-R73 WeakPolarHBondContact O-CB 3.39Å; D69-R73 PolarHBondContact O-N 2.86Å
70E93.6Very high91.1Very high81 Ų8149 Ų4938%0.37925%0.252SS..Hα-helixtrans-66.4-42.7174.2-76.4157.9174.600111.4K2 L66 T67 R73 A74K2-E70 IonicContact NZ-OE1 2.68Å; L66-E70 HydrophobicContact CD1-CB 3.79Å; T67-E70 WeakPolarHBondContact CB-OE2 3.12Å; T67-E70 WeakPolarHBondContact CG2-OE2 3.36Å; T67-E70 PolarHBondContact N-OE2 2.91Å; T67-E70 PolarHBondContact O-N 3.07Å; T67-E70 WeakPolarHBondContact OG1-CB 3.19Å; T67-E70 WeakPolarHBondContact OG1-CG 3.22Å; T67-E70 PolarHBondContact OG1-N 3.21Å; T67-E70 PolarHBondContact OG1-OE2 3.41Å; E70-R73 PolarHBondContact O-N 2.72Å; E70-A74 VanDerWaalsContact O-CB 3.3Å; E70-A74 WeakPolarHBondContact O-CB 3.42Å; E70-A74 PolarHBondContact O-N 2.97Å
71L94.9Very high90.7Very high0 Ų046.5 Ų46.50%023%0.225CC..Hα-helixtrans-57.9-50.4174.6175.961.7000110.9V5 P12 I14 I53 Y57 L66 T67 L68 A74 K75V5-L71 HydrophobicContact CG1-CD2 4.39Å; V5-L71 HydrophobicContact CG2-CB 4.13Å; V5-L71 HydrophobicContact CG2-CD2 3.89Å; P12-L71 HydrophobicContact CB-CD2 4.4Å; I14-L71 HydrophobicContact CG2-CD1 4.23Å; I14-L71 HydrophobicContact CG2-CD2 4Å; I14-L71 HydrophobicContact CG2-CG 4.09Å; I53-L71 HydrophobicContact CG2-CD1 4.17Å; Y57-L71 HydrophobicContact CD1-CD1 4Å; Y57-L71 HydrophobicContact CD1-CD2 4.34Å; Y57-L71 HydrophobicContact CD2-CD1 3.93Å; Y57-L71 HydrophobicContact CD2-CD2 3.95Å; Y57-L71 HydrophobicContact CE1-CD2 4.04Å; Y57-L71 HydrophobicContact CE2-CD1 4.48Å; Y57-L71 HydrophobicContact CE2-CD2 3.66Å; Y57-L71 HydrophobicContact CG-CD1 3.65Å; Y57-L71 HydrophobicContact CG-CD2 4.27Å; L66-L71 HydrophobicContact CD2-CB 4.17Å; L66-L71 HydrophobicContact CD2-CD1 4.24Å; L66-L71 HydrophobicContact CG-CB 4.38Å; T67-L71 PolarHBondContact O-N 3.49Å; L68-L71 PolarHBondContact O-N 2.86Å; L71-A74 PolarHBondContact O-N 3.49Å; L71-K75 WeakPolarHBondContact O-CB 3.41Å; L71-K75 PolarHBondContact O-N 2.97Å
72W93.2Very high90.6Very high22 Ų2241.7 Ų41.78%0.08320%0.203CC..Hα-helixtrans-65.5-40.1178.4-77.7117.6000112.3P12 I14 R18 L68 A74 K75 Q76P12-W72 HydrophobicContact CB-CZ2 4.43Å; I14-W72 HydrophobicContact CG2-CH2 4.45Å; I14-W72 HydrophobicContact CG2-CZ3 4.49Å; R18-W72 VanDerWaalsContact CA-CH2 3.46Å; R18-W72 HydrophobicContact CB-CD2 3.82Å; R18-W72 HydrophobicContact CB-CE3 3.73Å; R18-W72 HydrophobicContact CB-CH2 3.86Å; R18-W72 HydrophobicContact CB-CZ2 3.93Å; R18-W72 HydrophobicContact CB-CZ3 3.75Å; R18-W72 HydrophobicContact CG-CD2 3.71Å; R18-W72 HydrophobicContact CG-CE3 4.17Å; R18-W72 HydrophobicContact CG-CG 4.06Å; R18-W72 HydrophobicContact CG-CH2 4.44Å; R18-W72 HydrophobicContact CG-CZ2 4.01Å; L68-W72 PolarHBondContact O-N 3.01Å; W72-A74 PolarHBondContact O-N 2.82Å; W72-K75 HydrophobicContact CE3-CB 4.41Å; W72-K75 HydrophobicContact CE3-CG 4.48Å; W72-K75 PolarHBondContact O-N 3.39Å; W72-Q76 WeakPolarHBondContact O-CG 3.37Å; W72-Q76 PolarHBondContact O-N 3.39Å
73R91.9Very high90.1Very high95 Ų9539.6 Ų39.636%0.35819%0.194SC..Hα-helixtrans-62.7-44177.3-177.260174151.45.2111.4N39 D69 E70 K75 Q76 I77N39-R73 PolarHBondContact OD1-NH1 3.31Å; D69-R73 WeakPolarHBondContact O-CB 3.39Å; D69-R73 PolarHBondContact O-N 2.86Å; E70-R73 PolarHBondContact O-N 2.72Å; R73-K75 VanDerWaalsContact C-N 3.34Å; R73-Q76 PolarHBondContact O-N 3.41Å; R73-I77 HydrophobicContact CG-CD1 4.2Å; R73-I77 WeakPolarHBondContact O-CG1 3.46Å; R73-I77 PolarHBondContact O-N 2.89Å
74A93.3Very high89.6Confident3 Ų338.2 Ų38.23%0.02519%0.19CC..Hα-helixtrans-59.8-45.2174.100000111I53 V54 E70 L71 W72 Q76 I77 Y78I53-A74 HydrophobicContact CB-CB 3.84Å; I53-A74 HydrophobicContact CD1-CB 4.02Å; I53-A74 HydrophobicContact CG2-CB 3.63Å; V54-A74 HydrophobicContact CG2-CB 4.28Å; E70-A74 VanDerWaalsContact O-CB 3.3Å; E70-A74 WeakPolarHBondContact O-CB 3.42Å; E70-A74 PolarHBondContact O-N 2.97Å; L71-A74 PolarHBondContact O-N 3.49Å; W72-A74 PolarHBondContact O-N 2.82Å; A74-Q76 PolarHBondContact O-N 3.26Å; A74-I77 PolarHBondContact O-N 2.88Å; A74-Y78 VanDerWaalsContact O-CB 3.25Å; A74-Y78 WeakPolarHBondContact O-CB 3.23Å; A74-Y78 PolarHBondContact O-N 2.9Å
75K91.9Very high89Confident15 Ų1537 Ų377%0.06518%0.183CC..Hα-helixtrans-59.8-42.4176.6-174.253.7160.167.30113I14 V54 L71 W72 R73 Y78 D79I14-K75 HydrophobicContact CB-CD 4.44Å; I14-K75 HydrophobicContact CB-CG 4.38Å; I14-K75 HydrophobicContact CD1-CD 4.3Å; I14-K75 WeakPolarHBondContact O-CE 3.34Å; I14-K75 PolarHBondContact O-NZ 3.11Å; I14-K75 VanDerWaalsContact O-NZ 3.11Å; V54-K75 HydrophobicContact CG1-CD 4.08Å; V54-K75 HydrophobicContact CG2-CB 4.18Å; V54-K75 HydrophobicContact CG2-CD 4.08Å; L71-K75 WeakPolarHBondContact O-CB 3.41Å; L71-K75 PolarHBondContact O-N 2.97Å; W72-K75 HydrophobicContact CE3-CB 4.41Å; W72-K75 HydrophobicContact CE3-CG 4.48Å; W72-K75 PolarHBondContact O-N 3.39Å; R73-K75 VanDerWaalsContact C-N 3.34Å; K75-Y78 WeakPolarHBondContact O-CB 3.26Å; K75-Y78 PolarHBondContact O-N 2.79Å; K75-D79 WeakPolarHBondContact CE-OD1 3.32Å; K75-D79 IonicContact NZ-OD1 2.78Å; K75-D79 PolarHBondContact NZ-OD1 3.47Å; K75-D79 IonicContact NZ-OD2 3.27Å; K75-D79 PolarHBondContact NZ-OD2 2.79Å; K75-D79 WeakPolarHBondContact O-CB 3.44Å; K75-D79 VanDerWaalsContact O-CG 3.22Å; K75-D79 PolarHBondContact O-N 2.9Å
76Q89.2Confident88.5Confident24 Ų2433.4 Ų33.411%0.11217%0.172CC..Hα-helixtrans-65.2-44.1178.4-66.4166.23.900112.7I33 W72 R73 A74 Y78 S80I33-Q76 HydrophobicContact CG2-CB 3.91Å; I33-Q76 HydrophobicContact CG2-CG 3.21Å; I33-Q76 VanDerWaalsContact CG2-NE2 3.33Å; W72-Q76 WeakPolarHBondContact O-CG 3.37Å; W72-Q76 PolarHBondContact O-N 3.39Å; R73-Q76 PolarHBondContact O-N 3.41Å; A74-Q76 PolarHBondContact O-N 3.26Å; Q76-Y78 VanDerWaalsContact C-N 3.26Å; Q76-Y78 PolarHBondContact O-N 3.25Å; Q76-S80 WeakPolarHBondContact O-CB 3.26Å; Q76-S80 PolarHBondContact O-N 3.39Å; Q76-S80 VanDerWaalsContact O-N 3.09Å; Q76-S80 PolarHBondContact O-OG 2.98Å
77I89.9Confident88.1Confident10 Ų1036.2 Ų36.25%0.05118%0.184CC..Hα-helixtrans-64-40175.5-67.6170.3000109.5L47 S50 R73 A74 S80 T81L47-I77 HydrophobicContact CD2-CG2 3.47Å; L47-I77 VanDerWaalsContact CD2-CG2 3.47Å; S50-I77 WeakPolarHBondContact OG-CG2 3.29Å; R73-I77 HydrophobicContact CG-CD1 4.2Å; R73-I77 WeakPolarHBondContact O-CG1 3.46Å; R73-I77 PolarHBondContact O-N 2.89Å; A74-I77 PolarHBondContact O-N 2.88Å; I77-S80 PolarHBondContact O-OG 3.31Å; I77-S80 VanDerWaalsContact O-OG 3.07Å; I77-T81 WeakPolarHBondContact O-CB 3.32Å; I77-T81 PolarHBondContact O-N 2.99Å; I77-T81 PolarHBondContact O-OG1 3.21Å
78Y90.2Very high87.6Confident2 Ų242.1 Ų42.11%0.00821%0.21CC..Hα-helixtrans-61.1-55.4177-177.3-90.2000112.1K51 V54 R58 A74 K75 Q76 S80 T81 F82 K87K51-Y78 HydrophobicContact CB-CD2 4.05Å; K51-Y78 HydrophobicContact CB-CE2 4.14Å; K51-Y78 HydrophobicContact CD-CE2 4.46Å; K51-Y78 HydrophobicContact CG-CD2 4.38Å; K51-Y78 HydrophobicContact CG-CE2 3.95Å; V54-Y78 HydrophobicContact CB-CD2 4.2Å; V54-Y78 HydrophobicContact CB-CG 4.2Å; V54-Y78 HydrophobicContact CG1-CD1 4.03Å; V54-Y78 HydrophobicContact CG1-CD2 4.27Å; V54-Y78 HydrophobicContact CG1-CE1 4.19Å; V54-Y78 HydrophobicContact CG1-CE2 4.39Å; V54-Y78 HydrophobicContact CG1-CG 4.05Å; V54-Y78 HydrophobicContact CG2-CD2 4.48Å; V54-Y78 HydrophobicContact CG2-CG 4.13Å; R58-Y78 PolarHBondContact NH1-OH 3.35Å; A74-Y78 VanDerWaalsContact O-CB 3.25Å; A74-Y78 WeakPolarHBondContact O-CB 3.23Å; A74-Y78 PolarHBondContact O-N 2.9Å; K75-Y78 WeakPolarHBondContact O-CB 3.26Å; K75-Y78 PolarHBondContact O-N 2.79Å; Q76-Y78 VanDerWaalsContact C-N 3.26Å; Q76-Y78 PolarHBondContact O-N 3.25Å; Y78-S80 VanDerWaalsContact C-N 3.25Å; Y78-S80 PolarHBondContact O-N 3.02Å; Y78-T81 PolarHBondContact O-N 3.36Å; Y78-F82 HydrophobicContact CD2-CB 4.37Å; Y78-F82 AromaticContact CD2-CD2 3.34Å; Y78-F82 HydrophobicContact CD2-CD2 3.34Å; Y78-F82 AromaticContact CD2-CE2 3.9Å; Y78-F82 HydrophobicContact CD2-CE2 3.9Å; Y78-F82 HydrophobicContact CD2-CG 4.1Å; Y78-F82 HydrophobicContact CE1-CB 4.41Å; Y78-F82 HydrophobicContact CE2-CB 4.13Å; Y78-F82 AromaticContact CE2-CD2 3.73Å; Y78-F82 HydrophobicContact CE2-CD2 3.73Å; Y78-F82 HydrophobicContact CE2-CE2 4.4Å; Y78-F82 HydrophobicContact CE2-CG 4.03Å; Y78-F82 AromaticContact CG-CD2 3.93Å; Y78-F82 HydrophobicContact CG-CD2 3.93Å; Y78-F82 PolarHBondContact O-N 3.33Å; Y78-K87 WeakPolarHBondContact OH-CD 3.33Å
79D85.3Confident87.2Confident75 Ų7546 Ų4640%0.40123%0.226SC..Hα-helixtrans-62.9-31.9-177.6-67-20.2000112.5K75 T81K75-D79 WeakPolarHBondContact CE-OD1 3.32Å; K75-D79 IonicContact NZ-OD1 2.78Å; K75-D79 PolarHBondContact NZ-OD1 3.47Å; K75-D79 IonicContact NZ-OD2 3.27Å; K75-D79 PolarHBondContact NZ-OD2 2.79Å; K75-D79 WeakPolarHBondContact O-CB 3.44Å; K75-D79 VanDerWaalsContact O-CG 3.22Å; K75-D79 PolarHBondContact O-N 2.9Å; D79-T81 VanDerWaalsContact C-N 3.29Å; D79-T81 PolarHBondContact O-N 2.85Å
80S82.7Confident86.9Confident3 Ų342.5 Ų42.52%0.02121%0.207CC..Hα-helixtrans-78.9-10.217660.90000113.9N39 Q76 I77 Y78 R95N39-S80 PolarHBondContact ND2-OG 3.37Å; Q76-S80 WeakPolarHBondContact O-CB 3.26Å; Q76-S80 PolarHBondContact O-N 3.39Å; Q76-S80 VanDerWaalsContact O-N 3.09Å; Q76-S80 PolarHBondContact O-OG 2.98Å; I77-S80 PolarHBondContact O-OG 3.31Å; I77-S80 VanDerWaalsContact O-OG 3.07Å; Y78-S80 VanDerWaalsContact C-N 3.25Å; Y78-S80 PolarHBondContact O-N 3.02Å; S80-R95 VanDerWaalsContact O-CD 3.29Å; S80-R95 WeakPolarHBondContact O-CD 3.42Å; S80-R95 WeakPolarHBondContact O-CG 3.37Å
81T84.9Confident86.5Confident0 Ų044.6 Ų44.60%022%0.215CC..Hα-helixtrans-117.9-42.2-170.6-67.30000113.7L47 I77 Y78 D79 K89 M90 R95L47-T81 HydrophobicContact CB-CG2 4.45Å; L47-T81 HydrophobicContact CD1-CG2 3.91Å; L47-T81 HydrophobicContact CD2-CG2 3.91Å; L47-T81 WeakPolarHBondContact CD2-OG1 3.43Å; L47-T81 HydrophobicContact CG-CG2 4.29Å; I77-T81 WeakPolarHBondContact O-CB 3.32Å; I77-T81 PolarHBondContact O-N 2.99Å; I77-T81 PolarHBondContact O-OG1 3.21Å; Y78-T81 PolarHBondContact O-N 3.36Å; D79-T81 VanDerWaalsContact C-N 3.29Å; D79-T81 PolarHBondContact O-N 2.85Å; T81-K89 HydrophobicContact CG2-CG 4.13Å; T81-M90 WeakPolarHBondContact O-CB 3.49Å; T81-M90 PolarHBondContact O-N 2.87Å; T81-R95 PolarHBondContact OG1-NH1 3.49Å
82F86.9Confident86Confident13 Ų1348.5 Ų48.56%0.05724%0.235CC..BIsolated β-bridgetrans-107.7140.7-171.7-59.8-81.4000110.5L47 K51 Y78 K87 E88 K89L47-F82 HydrophobicContact CB-CZ 4.38Å; K51-F82 HydrophobicContact CB-CE2 3.77Å; K51-F82 HydrophobicContact CB-CZ 3.83Å; K51-F82 HydrophobicContact CD-CD1 4.15Å; K51-F82 HydrophobicContact CD-CE1 3.7Å; K51-F82 HydrophobicContact CD-CE2 4.29Å; K51-F82 HydrophobicContact CD-CZ 3.78Å; K51-F82 HydrophobicContact CG-CZ 4.38Å; Y78-F82 HydrophobicContact CD2-CB 4.37Å; Y78-F82 AromaticContact CD2-CD2 3.34Å; Y78-F82 HydrophobicContact CD2-CD2 3.34Å; Y78-F82 AromaticContact CD2-CE2 3.9Å; Y78-F82 HydrophobicContact CD2-CE2 3.9Å; Y78-F82 HydrophobicContact CD2-CG 4.1Å; Y78-F82 HydrophobicContact CE1-CB 4.41Å; Y78-F82 HydrophobicContact CE2-CB 4.13Å; Y78-F82 AromaticContact CE2-CD2 3.73Å; Y78-F82 HydrophobicContact CE2-CD2 3.73Å; Y78-F82 HydrophobicContact CE2-CE2 4.4Å; Y78-F82 HydrophobicContact CE2-CG 4.03Å; Y78-F82 AromaticContact CG-CD2 3.93Å; Y78-F82 HydrophobicContact CG-CD2 3.93Å; Y78-F82 PolarHBondContact O-N 3.33Å; F82-K87 WeakPolarHBondContact CD1-O 3.23Å; F82-E88 CarbonylContact C-O 3.56Å; F82-E88 VanDerWaalsContact CA-O 3.25Å; F82-E88 WeakPolarHBondContact CA-O 3.49Å; F82-K89 HydrophobicContact CD1-CB 4.19Å; F82-K89 HydrophobicContact CE1-CB 4.05Å
83H82.3Confident85.6Confident15 Ų1550.2 Ų50.27%0.06925%0.248CC..  trans-63.2134.6177.8-167-80.7000109.9D85 T86 K87 E88 M90 T136 R138H83-D85 IonicContact CE1-OD2 3.88Å; H83-D85 PolarHBondContact CE1-OD2 3.19Å; H83-D85 PolarHBondContact ND1-N 3.01Å; H83-D85 PolarHBondContact O-N 3.45Å; H83-T86 VanDerWaalsContact CB-OG1 3.32Å; H83-T86 WeakPolarHBondContact CB-OG1 3.25Å; H83-T86 PolarHBondContact ND1-N 3.42Å; H83-K87 VanDerWaalsContact O-CA 3.28Å; H83-K87 WeakPolarHBondContact O-CA 3.47Å; H83-K87 PolarHBondContact O-N 2.88Å; H83-E88 PolarHBondContact N-O 3.44Å; H83-M90 HydrophobicContact CB-CG 4.06Å; H83-T136 PolarHBondContact CD2-O 3.41Å; H83-R138 PolarHBondContact CE1-O 3.06Å; H83-R138 PolarHBondContact NE2-O 3.24Å
84P77.1Confident85.2Confident72 Ų7245.7 Ų45.747%0.46823%0.231SC..THydrogen-bonded Turntrans-57.6-36.9-177.421.3-33.2000112.3K87P84-K87 WeakPolarHBondContact O-CD 3.28Å; P84-K87 WeakPolarHBondContact O-CE 3.49Å; P84-K87 PolarHBondContact O-NZ 2.91Å
85D77.6Confident84.7Confident58 Ų5845.8 Ų45.831%0.3123%0.231SC..THydrogen-bonded Turntrans-92.3-58.5-175-50.5-31.7000112.7H83 K87 S139 G140H83-D85 IonicContact CE1-OD2 3.88Å; H83-D85 PolarHBondContact CE1-OD2 3.19Å; H83-D85 PolarHBondContact ND1-N 3.01Å; H83-D85 PolarHBondContact O-N 3.45Å; D85-K87 VanDerWaalsContact C-N 3.28Å; D85-K87 PolarHBondContact O-N 2.95Å; D85-S139 VanDerWaalsContact OD2-CA 3.32Å; D85-S139 WeakPolarHBondContact OD2-CA 3.49Å; D85-G140 PolarHBondContact OD2-N 3.41Å
86T81.4Confident84Confident73 Ų7347.2 Ų47.245%0.44824%0.238SC..THydrogen-bonded Turntrans-73.5-16.5-177.470.10000114.1H83 E88H83-T86 VanDerWaalsContact CB-OG1 3.32Å; H83-T86 WeakPolarHBondContact CB-OG1 3.25Å; H83-T86 PolarHBondContact ND1-N 3.42Å; T86-E88 PolarHBondContact O-N 3.33Å; T86-E88 WeakPolarHBondContact OG1-CB 3.27Å; T86-E88 PolarHBondContact OG1-N 2.94Å
87K83.4Confident83.7Confident75 Ų7546 Ų4633%0.32623%0.232SC..  trans59.713.5-174.4-39.7-59.7178.1175.60113.6K51 Y78 F82 H83 P84 D85K51-K87 PolarHBondContact NZ-O 3.14Å; Y78-K87 WeakPolarHBondContact OH-CD 3.33Å; F82-K87 WeakPolarHBondContact CD1-O 3.23Å; H83-K87 VanDerWaalsContact O-CA 3.28Å; H83-K87 WeakPolarHBondContact O-CA 3.47Å; H83-K87 PolarHBondContact O-N 2.88Å; P84-K87 WeakPolarHBondContact O-CD 3.28Å; P84-K87 WeakPolarHBondContact O-CE 3.49Å; P84-K87 PolarHBondContact O-NZ 2.91Å; D85-K87 VanDerWaalsContact C-N 3.28Å; D85-K87 PolarHBondContact O-N 2.95Å
88E84.7Confident83.5Confident133 Ų13346 Ų4662%0.62123%0.234SC*.  trans-84.6153.1177.9-65.3-177.5160.900111F82 H83 T86 M90F82-E88 CarbonylContact C-O 3.56Å; F82-E88 VanDerWaalsContact CA-O 3.25Å; F82-E88 WeakPolarHBondContact CA-O 3.49Å; H83-E88 PolarHBondContact N-O 3.44Å; T86-E88 PolarHBondContact O-N 3.33Å; T86-E88 WeakPolarHBondContact OG1-CB 3.27Å; T86-E88 PolarHBondContact OG1-N 2.94Å; E88-M90 PolarHBondContact O-N 3.01Å
89K85.4Confident83.3Confident111 Ų11146.6 Ų46.648%0.48324%0.236SC..BIsolated β-bridgetrans-69.6115.9179.3-175.8-179.4177.2-172.60109.2N44 T81 F82N44-K89 PolarHBondContact OD1-NZ 3.41Å; T81-K89 HydrophobicContact CG2-CG 4.13Å; F82-K89 HydrophobicContact CD1-CB 4.19Å; F82-K89 HydrophobicContact CE1-CB 4.05Å
90M84.8Confident83.3Confident13 Ų1343.1 Ų43.16%0.06422%0.218CC..  trans-66.4146.9176.1-66.1-173.6-71.700111.3T81 H83 E88 I92 R95 T136T81-M90 WeakPolarHBondContact O-CB 3.49Å; T81-M90 PolarHBondContact O-N 2.87Å; H83-M90 HydrophobicContact CB-CG 4.06Å; E88-M90 PolarHBondContact O-N 3.01Å; M90-I92 PolarHBondContact O-N 3.24Å; M90-R95 HydrophobicContact CB-CG 4.11Å; M90-R95 HydrophobicContact CE-CG 4.46Å; M90-R95 PolarHBondContact O-NE 3Å; M90-R95 VanDerWaalsContact O-NE 3.09Å; M90-R95 PolarHBondContact O-NH2 2.91Å; M90-T136 HydrophobicContact CB-CG2 3.72Å; M90-T136 HydrophobicContact CG-CG2 4.03Å; M90-T136 HydrophobicContact SD-CG2 4.17Å
91F85.2Confident83.6Confident125 Ų12544.8 Ų44.855%0.54823%0.228SC..  trans-56.9130172.5-175.5-118.1000110.1V93 G94 R95 L132F91-V93 VanDerWaalsContact C-N 3.28Å; F91-V93 HydrophobicContact CD1-CB 3.99Å; F91-V93 HydrophobicContact CD1-CG2 4.45Å; F91-V93 HydrophobicContact CE1-CB 3.67Å; F91-V93 HydrophobicContact CE1-CG2 3.77Å; F91-V93 HydrophobicContact CZ-CG2 4.16Å; F91-V93 PolarHBondContact O-N 3.19Å; F91-G94 WeakPolarHBondContact O-CA 3.31Å; F91-G94 PolarHBondContact O-N 3.37Å; F91-R95 PolarHBondContact O-N 3.42Å; F91-L132 HydrophobicContact CD1-CD1 4.31Å; F91-L132 HydrophobicContact CD1-CD2 4.14Å; F91-L132 HydrophobicContact CE1-CD2 4.06Å
92I85Confident83.8Confident82 Ų8245.7 Ų45.742%0.42124%0.236SC..G310 helixtrans-55.9-41.4-166.3-170.9170.2000113.3L40 M90 G94 R95 A98L40-I92 HydrophobicContact CD2-CG1 3.91Å; M90-I92 PolarHBondContact O-N 3.24Å; I92-G94 VanDerWaalsContact C-N 3.29Å; I92-G94 PolarHBondContact O-N 3.32Å; I92-R95 WeakPolarHBondContact O-CB 3.3Å; I92-R95 PolarHBondContact O-N 2.88Å; I92-A98 WeakPolarHBondContact O-CB 3.49Å
93V85.3Confident83.8Confident57 Ų5746.6 Ų46.635%0.34524%0.241SC..G310 helixtrans-71.8-26-179.3-175.30000111.7F91 R95 A98 F129 L132F91-V93 VanDerWaalsContact C-N 3.28Å; F91-V93 HydrophobicContact CD1-CB 3.99Å; F91-V93 HydrophobicContact CD1-CG2 4.45Å; F91-V93 HydrophobicContact CE1-CB 3.67Å; F91-V93 HydrophobicContact CE1-CG2 3.77Å; F91-V93 HydrophobicContact CZ-CG2 4.16Å; F91-V93 PolarHBondContact O-N 3.19Å; V93-R95 VanDerWaalsContact C-N 3.32Å; V93-A98 WeakPolarHBondContact O-CB 3.49Å; V93-F129 HydrophobicContact CG1-CD2 3.94Å; V93-F129 HydrophobicContact CG1-CE2 3.74Å; V93-F129 VanDerWaalsContact O-CE2 3.27Å; V93-F129 WeakPolarHBondContact O-CE2 3.32Å; V93-L132 HydrophobicContact CB-CD2 4.08Å; V93-L132 HydrophobicContact CG1-CD2 3.86Å
94G82.3Confident84.2Confident0 Ų048.1 Ų48.10%025%0.249CC..G310 helixtrans-82.2-5.9177.600000114.2F91 I92 N137F91-G94 WeakPolarHBondContact O-CA 3.31Å; F91-G94 PolarHBondContact O-N 3.37Å; I92-G94 VanDerWaalsContact C-N 3.29Å; I92-G94 PolarHBondContact O-N 3.32Å; G94-N137 PolarHBondContact O-ND2 3.1Å
95R83.7Confident84.7Confident6 Ų647.4 Ų47.42%0.02324%0.243CC..SBendtrans-71.6149.4-178.3-65.2173.7-173.8-164.20.3111.3S80 T81 M90 F91 I92 V93 S97 A98S80-R95 VanDerWaalsContact O-CD 3.29Å; S80-R95 WeakPolarHBondContact O-CD 3.42Å; S80-R95 WeakPolarHBondContact O-CG 3.37Å; T81-R95 PolarHBondContact OG1-NH1 3.49Å; M90-R95 HydrophobicContact CB-CG 4.11Å; M90-R95 HydrophobicContact CE-CG 4.46Å; M90-R95 PolarHBondContact O-NE 3Å; M90-R95 VanDerWaalsContact O-NE 3.09Å; M90-R95 PolarHBondContact O-NH2 2.91Å; F91-R95 PolarHBondContact O-N 3.42Å; I92-R95 WeakPolarHBondContact O-CB 3.3Å; I92-R95 PolarHBondContact O-N 2.88Å; V93-R95 VanDerWaalsContact C-N 3.32Å; R95-S97 PolarHBondContact O-N 2.92Å; R95-S97 VanDerWaalsContact O-N 3.16Å; R95-A98 WeakPolarHBondContact O-CB 3.28Å; R95-A98 PolarHBondContact O-N 3.31Å
96M77.5Confident85.2Confident44 Ų4444.7 Ų44.722%0.21723%0.229CC..G310 helixtrans-56.6-31.9172.6-68.4-66-175.900112.6A98 Q99 N137M96-A98 PolarHBondContact O-N 2.88Å; M96-Q99 WeakPolarHBondContact O-CB 2.92Å; M96-Q99 WeakPolarHBondContact O-CG 3.38Å; M96-Q99 PolarHBondContact O-N 2.91Å; M96-Q99 PolarHBondContact SD-NE2 2.7Å; M96-N137 HydrophobicContact CE-CB 4.39Å
97S82.5Confident85.3Confident0 Ų041.9 Ų41.90%021%0.212CC..G310 helixtrans-67.4-20.3174.952.30000114.1N36 L40 R95 P101N36-S97 WeakPolarHBondContact O-CB 3.48Å; L40-S97 WeakPolarHBondContact CD1-O 3.19Å; L40-S97 VanDerWaalsContact CD2-OG 3.27Å; L40-S97 WeakPolarHBondContact CD2-OG 3.25Å; R95-S97 PolarHBondContact O-N 2.92Å; R95-S97 VanDerWaalsContact O-N 3.16Å; S97-P101 WeakPolarHBondContact O-CD 3.34Å
98A86Confident85.4Confident9 Ų938.3 Ų38.37%0.07420%0.196CC..G310 helixtrans-81.8-13.9175.400000113.5L40 I92 V93 R95 M96 V100 P101 A102L40-A98 HydrophobicContact CD1-CB 4.42Å; L40-A98 HydrophobicContact CD2-CB 3.99Å; I92-A98 WeakPolarHBondContact O-CB 3.49Å; V93-A98 WeakPolarHBondContact O-CB 3.49Å; R95-A98 WeakPolarHBondContact O-CB 3.28Å; R95-A98 PolarHBondContact O-N 3.31Å; M96-A98 PolarHBondContact O-N 2.88Å; A98-V100 PolarHBondContact O-N 3.34Å; A98-P101 WeakPolarHBondContact O-CD 3.32Å; A98-A102 VanDerWaalsContact O-CB 3.22Å; A98-A102 WeakPolarHBondContact O-CB 3.34Å; A98-A102 PolarHBondContact O-N 3.11Å
99Q84.8Confident85.4Confident14 Ų1434.1 Ų34.17%0.06518%0.177CC..Hα-helixtrans-61.4-47.9-176-70.6-173.6-17.300112.8M96 N103M96-Q99 WeakPolarHBondContact O-CB 2.92Å; M96-Q99 WeakPolarHBondContact O-CG 3.38Å; M96-Q99 PolarHBondContact O-N 2.91Å; M96-Q99 PolarHBondContact SD-NE2 2.7Å; Q99-N103 WeakPolarHBondContact O-CB 3.37Å; Q99-N103 VanDerWaalsContact O-CG 3.3Å; Q99-N103 PolarHBondContact O-N 2.84Å; Q99-N103 PolarHBondContact O-ND2 3.45Å; Q99-N103 VanDerWaalsContact O-ND2 3.17Å
100V84.9Confident85.2Confident3 Ų328.9 Ų28.92%0.01815%0.154CC..Hα-helixtrans-64.3-49.5-178.7175.10000111A98 A102 N103 M104 L268 T272A98-V100 PolarHBondContact O-N 3.34Å; V100-A102 PolarHBondContact O-N 2.64Å; V100-N103 PolarHBondContact O-N 2.76Å; V100-M104 WeakPolarHBondContact O-CB 3.38Å; V100-M104 PolarHBondContact O-N 2.84Å; V100-L268 HydrophobicContact CG1-CB 4.16Å; V100-T272 HydrophobicContact CG2-CG2 4.42Å
101P89.2Confident84.8Confident37 Ų3729.2 Ų29.224%0.2416%0.156CC..Hα-helixtrans-66.4-32.9177.6-25.838.1000114.9P37 L40 S97 A98 M104 V105P37-P101 HydrophobicContact CB-CG 3.62Å; L40-P101 HydrophobicContact CD1-CG 3.85Å; S97-P101 WeakPolarHBondContact O-CD 3.34Å; A98-P101 WeakPolarHBondContact O-CD 3.32Å; P101-M104 WeakPolarHBondContact O-CG 3.21Å; P101-V105 WeakPolarHBondContact O-CG2 3.04Å; P101-V105 PolarHBondContact O-N 2.71Å
102A89.5Confident84.5Confident19 Ų1924.9 Ų24.916%0.15714%0.14CC..Hα-helixtrans-70.7-49.3174.900000110.7A98 V100 M104 V105 I106 F129A98-A102 VanDerWaalsContact O-CB 3.22Å; A98-A102 WeakPolarHBondContact O-CB 3.34Å; A98-A102 PolarHBondContact O-N 3.11Å; V100-A102 PolarHBondContact O-N 2.64Å; A102-M104 VanDerWaalsContact C-N 3.28Å; A102-M104 PolarHBondContact O-N 3.28Å; A102-V105 PolarHBondContact O-N 3.24Å; A102-V105 VanDerWaalsContact O-N 3.15Å; A102-I106 HydrophobicContact CB-CD1 4.46Å; A102-I106 WeakPolarHBondContact O-CD1 3.5Å; A102-I106 VanDerWaalsContact O-CG1 3.22Å; A102-I106 WeakPolarHBondContact O-CG1 3.3Å; A102-I106 PolarHBondContact O-N 2.62Å; A102-F129 HydrophobicContact CB-CD1 4Å; A102-F129 HydrophobicContact CB-CD2 3.76Å; A102-F129 HydrophobicContact CB-CE1 3.57Å; A102-F129 HydrophobicContact CB-CE2 3.29Å; A102-F129 HydrophobicContact CB-CG 4.1Å; A102-F129 HydrophobicContact CB-CZ 3.21Å
103N87.8Confident84.2Confident32 Ų3225.4 Ų25.417%0.17114%0.139CC..Hα-helixtrans-64.5-31.3-179.2-75.3-33.7000112.6Q99 V100 T107 L268Q99-N103 WeakPolarHBondContact O-CB 3.37Å; Q99-N103 VanDerWaalsContact O-CG 3.3Å; Q99-N103 PolarHBondContact O-N 2.84Å; Q99-N103 PolarHBondContact O-ND2 3.45Å; Q99-N103 VanDerWaalsContact O-ND2 3.17Å; V100-N103 PolarHBondContact O-N 2.76Å; N103-T107 WeakPolarHBondContact O-CB 3.35Å; N103-T107 PolarHBondContact O-N 2.85Å; N103-T107 PolarHBondContact O-OG1 2.8Å; N103-L268 HydrophobicContact CB-CD1 3.71Å
104M89.5Confident83.6Confident47 Ų4726.4 Ų26.423%0.23214%0.137CC..Hα-helixtrans-65.4-40.8174.777.5179.6-148.200112.1V100 P101 A102 G108 V261 V264 L268V100-M104 WeakPolarHBondContact O-CB 3.38Å; V100-M104 PolarHBondContact O-N 2.84Å; P101-M104 WeakPolarHBondContact O-CG 3.21Å; A102-M104 VanDerWaalsContact C-N 3.28Å; A102-M104 PolarHBondContact O-N 3.28Å; M104-G108 WeakPolarHBondContact O-CA 3.35Å; M104-G108 PolarHBondContact O-N 2.99Å; M104-V261 HydrophobicContact CE-CG1 3.86Å; M104-V261 HydrophobicContact CG-CG1 4.04Å; M104-V264 HydrophobicContact CB-CG1 4.34Å; M104-L268 HydrophobicContact CB-CD1 4.27Å
105V89.3Confident83.4Confident57 Ų5730.6 Ų30.635%0.34516%0.16SC..Hα-helixtrans-68.8-50.1177.3173.40000109.6P101 A102 T107 G108 M109 W122 V261P101-V105 WeakPolarHBondContact O-CG2 3.04Å; P101-V105 PolarHBondContact O-N 2.71Å; A102-V105 PolarHBondContact O-N 3.24Å; A102-V105 VanDerWaalsContact O-N 3.15Å; V105-T107 PolarHBondContact O-N 3.48Å; V105-G108 PolarHBondContact O-N 3.03Å; V105-M109 HydrophobicContact CG1-CG 4.11Å; V105-M109 WeakPolarHBondContact O-CB 3.42Å; V105-M109 WeakPolarHBondContact O-CG 3.45Å; V105-M109 PolarHBondContact O-N 3.42Å; V105-W122 HydrophobicContact CG1-CH2 4.39Å; V105-W122 HydrophobicContact CG1-CZ3 4.44Å; V105-V261 HydrophobicContact CG2-CG1 4.15Å
106I87.4Confident83.1Confident2 Ų233.9 Ų33.91%0.0118%0.181CC..Hα-helixtrans-57.2-53.4-179.1-68.4165.6000111A102 M110 F125 N126 F129A102-I106 HydrophobicContact CB-CD1 4.46Å; A102-I106 WeakPolarHBondContact O-CD1 3.5Å; A102-I106 VanDerWaalsContact O-CG1 3.22Å; A102-I106 WeakPolarHBondContact O-CG1 3.3Å; A102-I106 PolarHBondContact O-N 2.62Å; I106-M110 WeakPolarHBondContact O-CB 3.24Å; I106-M110 PolarHBondContact O-N 2.84Å; I106-F125 HydrophobicContact CD1-CD1 3.86Å; I106-F125 HydrophobicContact CD1-CE1 3.97Å; I106-F125 HydrophobicContact CG1-CD1 3.62Å; I106-F125 HydrophobicContact CG1-CE1 3.8Å; I106-N126 HydrophobicContact CG2-CB 3.68Å; I106-F129 HydrophobicContact CD1-CB 4.12Å; I106-F129 HydrophobicContact CD1-CD1 4.27Å; I106-F129 HydrophobicContact CD1-CG 4.26Å
107T83.4Confident83.5Confident14 Ų1436.4 Ų36.49%0.08620%0.2CC..Hα-helixtrans-71-42.5-175.9-59.80000111N103 V105 M110 M111 M243 V264N103-T107 WeakPolarHBondContact O-CB 3.35Å; N103-T107 PolarHBondContact O-N 2.85Å; N103-T107 PolarHBondContact O-OG1 2.8Å; V105-T107 PolarHBondContact O-N 3.48Å; T107-M110 PolarHBondContact O-N 3.14Å; T107-M111 HydrophobicContact CG2-CE 4.08Å; T107-M111 WeakPolarHBondContact O-CG 3.41Å; T107-M111 PolarHBondContact O-N 3.3Å; T107-M243 HydrophobicContact CG2-CE 3.66Å; T107-M243 HydrophobicContact CG2-CG 4.23Å; T107-V264 HydrophobicContact CG2-CG1 3.78Å; T107-V264 HydrophobicContact CG2-CG2 4.22Å
108G84.6Confident83.6Confident0 Ų037.1 Ų37.10%021%0.206CC..Hα-helixtrans-59.6-48.8176.800000111.7M104 V105 M111 T112 Q260M104-G108 WeakPolarHBondContact O-CA 3.35Å; M104-G108 PolarHBondContact O-N 2.99Å; V105-G108 PolarHBondContact O-N 3.03Å; G108-M111 PolarHBondContact O-N 3.41Å; G108-T112 PolarHBondContact O-N 2.99Å; G108-T112 PolarHBondContact O-OG1 3.44Å; G108-Q260 PolarHBondContact O-OE1 2.76Å
109M85.5Confident83.3Confident45 Ų4536.8 Ų36.822%0.22220%0.203CC..Hα-helixtrans-70.1-35.9-179.4-62.7-69.2-7600112.8V105 M111 T112 F113 W122 A257 V261V105-M109 HydrophobicContact CG1-CG 4.11Å; V105-M109 WeakPolarHBondContact O-CB 3.42Å; V105-M109 WeakPolarHBondContact O-CG 3.45Å; V105-M109 PolarHBondContact O-N 3.42Å; M109-M111 VanDerWaalsContact C-N 3.26Å; M109-M111 PolarHBondContact O-N 3.2Å; M109-T112 PolarHBondContact O-N 3.19Å; M109-F113 HydrophobicContact CB-CD2 4.4Å; M109-F113 HydrophobicContact CE-CD2 3.79Å; M109-F113 HydrophobicContact CE-CE2 3.29Å; M109-F113 HydrophobicContact CE-CZ 4.29Å; M109-F113 WeakPolarHBondContact O-CB 2.97Å; M109-F113 WeakPolarHBondContact O-CD2 3.25Å; M109-F113 PolarHBondContact O-N 3.18Å; M109-F113 HydrophobicContact SD-CD2 4.23Å; M109-F113 HydrophobicContact SD-CE2 3.75Å; M109-W122 HydrophobicContact CB-CD2 3.87Å; M109-W122 HydrophobicContact CB-CE3 4.33Å; M109-W122 HydrophobicContact CB-CH2 3.79Å; M109-W122 HydrophobicContact CB-CZ2 3.25Å; M109-W122 HydrophobicContact CB-CZ3 4.29Å; M109-W122 HydrophobicContact CE-CH2 4.32Å; M109-W122 HydrophobicContact CE-CZ2 3.66Å; M109-W122 HydrophobicContact CG-CH2 3.82Å; M109-W122 HydrophobicContact CG-CZ2 3.62Å; M109-A257 HydrophobicContact SD-CB 4.19Å; M109-V261 HydrophobicContact CG-CG2 4.23Å; M109-V261 HydrophobicContact SD-CG2 4.35Å
110M81.9Confident83.4Confident1 Ų138.5 Ų38.51%0.00522%0.215CC..Hα-helixtrans-62.1-34.8173.3-177.9173.95500112I106 T107 W122 Q123 P183 V187 M243I106-M110 WeakPolarHBondContact O-CB 3.24Å; I106-M110 PolarHBondContact O-N 2.84Å; T107-M110 PolarHBondContact O-N 3.14Å; M110-W122 HydrophobicContact CB-CB 3.93Å; M110-W122 HydrophobicContact CB-CG 4.26Å; M110-W122 HydrophobicContact CG-CB 4.32Å; M110-Q123 HydrophobicContact SD-CG 4.39Å; M110-Q123 PolarHBondContact SD-NE2 3.33Å; M110-Q123 VanDerWaalsContact SD-NE2 3.39Å; M110-P183 HydrophobicContact CE-CB 3.84Å; M110-P183 HydrophobicContact CG-CB 4.5Å; M110-P183 HydrophobicContact SD-CB 4.16Å; M110-V187 HydrophobicContact CE-CG2 4.05Å; M110-M243 HydrophobicContact CE-CE 3.55Å
111M76.5Confident83.6Confident19 Ų1943 Ų439%0.09423%0.234CC..Hα-helixtrans-80.3-33.8175.7-67.6-169.8-57.800113.1T107 G108 M109 G242 M243 V247 L248 Q260 V264T107-M111 HydrophobicContact CG2-CE 4.08Å; T107-M111 WeakPolarHBondContact O-CG 3.41Å; T107-M111 PolarHBondContact O-N 3.3Å; G108-M111 PolarHBondContact O-N 3.41Å; M109-M111 VanDerWaalsContact C-N 3.26Å; M109-M111 PolarHBondContact O-N 3.2Å; M111-G242 WeakPolarHBondContact CE-O 3.4Å; M111-M243 HydrophobicContact SD-CB 4.34Å; M111-M243 HydrophobicContact SD-CG 3.93Å; M111-V247 HydrophobicContact CE-CG1 3.74Å; M111-L248 HydrophobicContact SD-CD2 3.89Å; M111-Q260 HydrophobicContact CB-CG 4.37Å; M111-Q260 VanDerWaalsContact CB-NE2 3.34Å; M111-Q260 HydrophobicContact CE-CG 3.78Å; M111-V264 HydrophobicContact CE-CG2 3.14Å
112T78.3Confident83.6Confident35 Ų3542.7 Ų42.722%0.21523%0.228CC..Hα-helixtrans-70.1-48.3178.1-53.10000111G108 M109 Y114 N256 A257 Q260G108-T112 PolarHBondContact O-N 2.99Å; G108-T112 PolarHBondContact O-OG1 3.44Å; M109-T112 PolarHBondContact O-N 3.19Å; T112-Y114 PolarHBondContact O-N 2.97Å; T112-N256 HydrophobicContact CG2-CB 4.22Å; T112-A257 HydrophobicContact CG2-CB 3.71Å; T112-A257 WeakPolarHBondContact OG1-CA 3.07Å; T112-Q260 PolarHBondContact OG1-OE1 2.79Å
113F79.3Confident83.5Confident92 Ų9241.8 Ų41.840%0.40422%0.221SC..SBendtrans-97.767.9-178.2-59.8-76000108.8M109 N115 A118 A257M109-F113 HydrophobicContact CB-CD2 4.4Å; M109-F113 HydrophobicContact CE-CD2 3.79Å; M109-F113 HydrophobicContact CE-CE2 3.29Å; M109-F113 HydrophobicContact CE-CZ 4.29Å; M109-F113 WeakPolarHBondContact O-CB 2.97Å; M109-F113 WeakPolarHBondContact O-CD2 3.25Å; M109-F113 PolarHBondContact O-N 3.18Å; M109-F113 HydrophobicContact SD-CD2 4.23Å; M109-F113 HydrophobicContact SD-CE2 3.75Å; F113-N115 PolarHBondContact O-N 3.3Å; F113-A118 HydrophobicContact CB-CB 3.65Å; F113-A118 WeakPolarHBondContact O-CB 3.4Å; F113-A257 HydrophobicContact CE2-CB 4.35Å
114Y72Confident83.6Confident79 Ų7945.8 Ų45.831%0.3123%0.233SC..  trans-82.866.1180-163.6-104.4000111.7T112 V119 N168 N179 V182 P183T112-Y114 PolarHBondContact O-N 2.97Å; Y114-V119 HydrophobicContact CD2-CG2 4.11Å; Y114-V119 HydrophobicContact CE2-CG2 4.11Å; Y114-N168 PolarHBondContact OH-ND2 2.68Å; Y114-N168 PolarHBondContact OH-OD1 3.33Å; Y114-N179 PolarHBondContact OH-O 3.3Å; Y114-N179 VanDerWaalsContact OH-O 3.09Å; Y114-V182 VanDerWaalsContact OH-CB 3.25Å; Y114-V182 WeakPolarHBondContact OH-CB 3.48Å; Y114-P183 HydrophobicContact CD2-CG 4.04Å; Y114-P183 HydrophobicContact CE2-CG 3.52Å
115N77.6Confident83.7Confident87 Ų8747.3 Ų47.347%0.46524%0.239SC..SBendtrans-127.8158167.867.830.2000110F113 P117 A118 V119F113-N115 PolarHBondContact O-N 3.3Å; N115-P117 WeakPolarHBondContact OD1-CD 3.48Å; N115-A118 PolarHBondContact O-N 2.87Å; N115-A118 VanDerWaalsContact O-N 3.16Å; N115-A118 WeakPolarHBondContact OD1-CB 3.19Å; N115-A118 PolarHBondContact OD1-N 3.47Å; N115-V119 WeakPolarHBondContact O-CG2 3.23Å; N115-V119 PolarHBondContact O-N 3.42Å
116T77.7Confident83.7Confident76 Ų7645.1 Ų45.147%0.46623%0.225SC..Hα-helixtrans-53.3-47.9-173.9-57.20000113.4A118 V119 V120 L165T116-A118 PolarHBondContact O-N 2.75Å; T116-V119 PolarHBondContact O-N 3.37Å; T116-V120 VanDerWaalsContact O-CG2 3.25Å; T116-V120 WeakPolarHBondContact O-CG2 3.35Å; T116-V120 PolarHBondContact O-N 2.98Å; T116-L165 HydrophobicContact CG2-CD2 3.34Å
117P85.2Confident83.7Confident96 Ų9645.2 Ų45.262%0.62323%0.226SC*.Hα-helixtrans-60.9-42.3178.3-24.134.9000113.6N115 V120 F121N115-P117 WeakPolarHBondContact OD1-CD 3.48Å; P117-V120 PolarHBondContact O-N 2.92Å; P117-F121 WeakPolarHBondContact O-CB 3.47Å; P117-F121 PolarHBondContact O-N 3.46Å
118A84.6Confident84.1Confident15 Ų1546.2 Ų46.212%0.12423%0.233CC..Hα-helixtrans-69.3-38.9179.400000111.9F113 N115 T116 V120 F121 W122F113-A118 HydrophobicContact CB-CB 3.65Å; F113-A118 WeakPolarHBondContact O-CB 3.4Å; N115-A118 PolarHBondContact O-N 2.87Å; N115-A118 VanDerWaalsContact O-N 3.16Å; N115-A118 WeakPolarHBondContact OD1-CB 3.19Å; N115-A118 PolarHBondContact OD1-N 3.47Å; T116-A118 PolarHBondContact O-N 2.75Å; A118-V120 VanDerWaalsContact C-N 3.31Å; A118-V120 PolarHBondContact O-N 2.84Å; A118-F121 PolarHBondContact O-N 3.16Å; A118-W122 WeakPolarHBondContact O-CB 3.49Å; A118-W122 PolarHBondContact O-N 2.51Å
119V80.4Confident84.3Confident2 Ų246.7 Ų46.71%0.01224%0.235CC..Hα-helixtrans-60.3-44173.5172.30000110.4Y114 N115 T116 Q123 A164Y114-V119 HydrophobicContact CD2-CG2 4.11Å; Y114-V119 HydrophobicContact CE2-CG2 4.11Å; N115-V119 WeakPolarHBondContact O-CG2 3.23Å; N115-V119 PolarHBondContact O-N 3.42Å; T116-V119 PolarHBondContact O-N 3.37Å; V119-Q123 HydrophobicContact CG1-CG 4.26Å; V119-Q123 WeakPolarHBondContact O-CB 3.39Å; V119-Q123 WeakPolarHBondContact O-CG 3.32Å; V119-Q123 PolarHBondContact O-N 2.92Å; V119-A164 HydrophobicContact CG1-CB 3.71Å
120V85.8Confident84.4Confident51 Ų5146.3 Ų46.331%0.30923%0.234SC..Hα-helixtrans-59.9-49.7176.31730000110.8T116 P117 A118 Q123 W124 L161 L165T116-V120 VanDerWaalsContact O-CG2 3.25Å; T116-V120 WeakPolarHBondContact O-CG2 3.35Å; T116-V120 PolarHBondContact O-N 2.98Å; P117-V120 PolarHBondContact O-N 2.92Å; A118-V120 VanDerWaalsContact C-N 3.31Å; A118-V120 PolarHBondContact O-N 2.84Å; V120-Q123 PolarHBondContact O-N 2.88Å; V120-W124 WeakPolarHBondContact O-CB 3.3Å; V120-W124 PolarHBondContact O-N 2.86Å; V120-L161 HydrophobicContact CB-CD2 4.01Å; V120-L161 HydrophobicContact CG1-CD2 3.94Å; V120-L161 HydrophobicContact CG2-CD2 3.95Å; V120-L165 HydrophobicContact CG2-CD2 4.19Å
121F90.6Very high84.6Confident98 Ų9847.4 Ų47.443%0.4324%0.243SC..Hα-helixtrans-60.6-49.2179.8174.9-98.6000112.4P117 A118 Q123 W124 F125P117-F121 WeakPolarHBondContact O-CB 3.47Å; P117-F121 PolarHBondContact O-N 3.46Å; A118-F121 PolarHBondContact O-N 3.16Å; F121-Q123 PolarHBondContact O-N 3.44Å; F121-W124 HydrophobicContact CD2-CE3 4.18Å; F121-W124 HydrophobicContact CD2-CZ3 4.37Å; F121-W124 HydrophobicContact CE2-CE3 4.15Å; F121-W124 AromaticContact CE2-CZ3 3.9Å; F121-W124 HydrophobicContact CE2-CZ3 3.9Å; F121-W124 PolarHBondContact O-N 3.09Å; F121-F125 WeakPolarHBondContact O-CB 3.49Å; F121-F125 PolarHBondContact O-N 2.97Å
122W88.8Confident85.1Confident30 Ų3049.2 Ų49.211%0.11425%0.253CS..Hα-helixtrans-70.8-31.2-177.3-73116.8000112.8V105 M109 M110 A118 F125 N126V105-W122 HydrophobicContact CG1-CH2 4.39Å; V105-W122 HydrophobicContact CG1-CZ3 4.44Å; M109-W122 HydrophobicContact CB-CD2 3.87Å; M109-W122 HydrophobicContact CB-CE3 4.33Å; M109-W122 HydrophobicContact CB-CH2 3.79Å; M109-W122 HydrophobicContact CB-CZ2 3.25Å; M109-W122 HydrophobicContact CB-CZ3 4.29Å; M109-W122 HydrophobicContact CE-CH2 4.32Å; M109-W122 HydrophobicContact CE-CZ2 3.66Å; M109-W122 HydrophobicContact CG-CH2 3.82Å; M109-W122 HydrophobicContact CG-CZ2 3.62Å; M110-W122 HydrophobicContact CB-CB 3.93Å; M110-W122 HydrophobicContact CB-CG 4.26Å; M110-W122 HydrophobicContact CG-CB 4.32Å; A118-W122 WeakPolarHBondContact O-CB 3.49Å; A118-W122 PolarHBondContact O-N 2.51Å; W122-F125 HydrophobicContact CE3-CB 4.3Å; W122-F125 HydrophobicContact CE3-CD1 4.21Å; W122-F125 HydrophobicContact CE3-CG 4.37Å; W122-F125 HydrophobicContact CZ3-CD1 4.06Å; W122-F125 HydrophobicContact CZ3-CE1 4.38Å; W122-F125 HydrophobicContact CZ3-CG 4.33Å; W122-N126 WeakPolarHBondContact O-CB 3.38Å; W122-N126 PolarHBondContact O-N 3.1Å
123Q87.3Confident85.5Confident0 Ų047.7 Ų47.70%024%0.243CC..Hα-helixtrans-67.5-44.9171.4-71.3-66.6-100111.5M110 V119 V120 F121 F125 N126 Q127 A160 L161M110-Q123 HydrophobicContact SD-CG 4.39Å; M110-Q123 PolarHBondContact SD-NE2 3.33Å; M110-Q123 VanDerWaalsContact SD-NE2 3.39Å; V119-Q123 HydrophobicContact CG1-CG 4.26Å; V119-Q123 WeakPolarHBondContact O-CB 3.39Å; V119-Q123 WeakPolarHBondContact O-CG 3.32Å; V119-Q123 PolarHBondContact O-N 2.92Å; V120-Q123 PolarHBondContact O-N 2.88Å; F121-Q123 PolarHBondContact O-N 3.44Å; Q123-F125 VanDerWaalsContact C-N 3.34Å; Q123-F125 PolarHBondContact O-N 2.83Å; Q123-N126 WeakPolarHBondContact O-CB 3.4Å; Q123-N126 PolarHBondContact O-N 3.48Å; Q123-Q127 WeakPolarHBondContact O-CG 3.34Å; Q123-Q127 PolarHBondContact O-N 3.45Å; Q123-A160 HydrophobicContact CB-CB 4.31Å; Q123-A160 HydrophobicContact CG-CB 4.32Å; Q123-L161 HydrophobicContact CB-CD2 4.04Å
124W89.8Confident85.7Confident115 Ų11545.4 Ų45.444%0.43624%0.235SC..Hα-helixtrans-58.7-45.9173.3167.280.7000111.9V120 F121 N126 Q127 S128 Y153V120-W124 WeakPolarHBondContact O-CB 3.3Å; V120-W124 PolarHBondContact O-N 2.86Å; F121-W124 HydrophobicContact CD2-CE3 4.18Å; F121-W124 HydrophobicContact CD2-CZ3 4.37Å; F121-W124 HydrophobicContact CE2-CE3 4.15Å; F121-W124 AromaticContact CE2-CZ3 3.9Å; F121-W124 HydrophobicContact CE2-CZ3 3.9Å; F121-W124 PolarHBondContact O-N 3.09Å; W124-N126 VanDerWaalsContact C-N 3.34Å; W124-N126 PolarHBondContact O-N 3.25Å; W124-Q127 PolarHBondContact O-N 2.96Å; W124-S128 WeakPolarHBondContact O-CB 3.45Å; W124-S128 PolarHBondContact O-N 3.08Å; W124-S128 PolarHBondContact O-OG 3.18Å; W124-Y153 PolarHBondContact NE1-OH 3.38Å
125F91.3Very high86.2Confident79 Ų7947.1 Ų47.135%0.34624%0.242SC..Hα-helixtrans-63.8-41.2178.5-172.1-86.5000111.2I106 F121 W122 Q123 S128 F129I106-F125 HydrophobicContact CD1-CD1 3.86Å; I106-F125 HydrophobicContact CD1-CE1 3.97Å; I106-F125 HydrophobicContact CG1-CD1 3.62Å; I106-F125 HydrophobicContact CG1-CE1 3.8Å; F121-F125 WeakPolarHBondContact O-CB 3.49Å; F121-F125 PolarHBondContact O-N 2.97Å; W122-F125 HydrophobicContact CE3-CB 4.3Å; W122-F125 HydrophobicContact CE3-CD1 4.21Å; W122-F125 HydrophobicContact CE3-CG 4.37Å; W122-F125 HydrophobicContact CZ3-CD1 4.06Å; W122-F125 HydrophobicContact CZ3-CE1 4.38Å; W122-F125 HydrophobicContact CZ3-CG 4.33Å; Q123-F125 VanDerWaalsContact C-N 3.34Å; Q123-F125 PolarHBondContact O-N 2.83Å; F125-S128 PolarHBondContact O-N 2.86Å; F125-F129 PolarHBondContact O-N 3.35Å
126N89.3Confident86.5Confident12 Ų1243.8 Ų43.86%0.06423%0.225CC..Hα-helixtrans-58.5-48.8175-172.428.3000112.1I106 W122 Q123 W124 S128 F129 N130I106-N126 HydrophobicContact CG2-CB 3.68Å; W122-N126 WeakPolarHBondContact O-CB 3.38Å; W122-N126 PolarHBondContact O-N 3.1Å; Q123-N126 WeakPolarHBondContact O-CB 3.4Å; Q123-N126 PolarHBondContact O-N 3.48Å; W124-N126 VanDerWaalsContact C-N 3.34Å; W124-N126 PolarHBondContact O-N 3.25Å; N126-S128 VanDerWaalsContact C-N 3.28Å; N126-S128 PolarHBondContact O-N 2.92Å; N126-F129 PolarHBondContact O-N 3.48Å; N126-N130 PolarHBondContact O-N 2.73Å; N126-N130 PolarHBondContact O-ND2 3.48Å; N126-N130 PolarHBondContact OD1-ND2 3.41Å; N126-N130 VanDerWaalsContact OD1-ND2 3.07Å
127Q88.5Confident86.5Confident4 Ų442.2 Ų42.22%0.01921%0.214CC..Hα-helixtrans-67.2-32.8178.5-61.3-46.5-44.900112.1Q123 W124 N130 A131 Y153 A156 T157Q123-Q127 WeakPolarHBondContact O-CG 3.34Å; Q123-Q127 PolarHBondContact O-N 3.45Å; W124-Q127 PolarHBondContact O-N 2.96Å; Q127-N130 PolarHBondContact O-N 3.49Å; Q127-A131 VanDerWaalsContact O-CB 3.32Å; Q127-A131 WeakPolarHBondContact O-CB 3.26Å; Q127-A131 PolarHBondContact O-N 2.93Å; Q127-Y153 HydrophobicContact CB-CD2 3.81Å; Q127-Y153 HydrophobicContact CB-CE2 3.81Å; Q127-A156 HydrophobicContact CG-CB 4.3Å; Q127-A156 VanDerWaalsContact OE1-CB 3.23Å; Q127-T157 WeakPolarHBondContact CB-OG1 3.39Å; Q127-T157 WeakPolarHBondContact CG-OG1 3.4Å
128S90.6Very high86Confident34 Ų3441.8 Ų41.824%0.23820%0.2CC..Hα-helixtrans-67.1-41.4177.1-560000110.9W124 F125 N126 A131 L132 Y153W124-S128 WeakPolarHBondContact O-CB 3.45Å; W124-S128 PolarHBondContact O-N 3.08Å; W124-S128 PolarHBondContact O-OG 3.18Å; F125-S128 PolarHBondContact O-N 2.86Å; N126-S128 VanDerWaalsContact C-N 3.28Å; N126-S128 PolarHBondContact O-N 2.92Å; S128-A131 PolarHBondContact O-N 3.01Å; S128-L132 WeakPolarHBondContact O-CB 3.27Å; S128-L132 PolarHBondContact O-N 3.49Å; S128-Y153 WeakPolarHBondContact OG-CE2 3.21Å; S128-Y153 PolarHBondContact OG-OH 3.05Å; S128-Y153 VanDerWaalsContact OG-OH 3.06Å
129F90Very high85.1Confident11 Ų1144 Ų445%0.04821%0.214CC..Hα-helixtrans-62.7-48.3172.6177.1-103.1000111.9V93 A102 I106 F125 N126 A131 L132 V133V93-F129 HydrophobicContact CG1-CD2 3.94Å; V93-F129 HydrophobicContact CG1-CE2 3.74Å; V93-F129 VanDerWaalsContact O-CE2 3.27Å; V93-F129 WeakPolarHBondContact O-CE2 3.32Å; A102-F129 HydrophobicContact CB-CD1 4Å; A102-F129 HydrophobicContact CB-CD2 3.76Å; A102-F129 HydrophobicContact CB-CE1 3.57Å; A102-F129 HydrophobicContact CB-CE2 3.29Å; A102-F129 HydrophobicContact CB-CG 4.1Å; A102-F129 HydrophobicContact CB-CZ 3.21Å; I106-F129 HydrophobicContact CD1-CB 4.12Å; I106-F129 HydrophobicContact CD1-CD1 4.27Å; I106-F129 HydrophobicContact CD1-CG 4.26Å; F125-F129 PolarHBondContact O-N 3.35Å; N126-F129 PolarHBondContact O-N 3.48Å; F129-A131 VanDerWaalsContact C-N 3.33Å; F129-A131 PolarHBondContact O-N 2.93Å; F129-L132 WeakPolarHBondContact O-CB 3.46Å; F129-L132 PolarHBondContact O-N 3.24Å; F129-V133 HydrophobicContact CD1-CG2 4.27Å; F129-V133 HydrophobicContact CD2-CG2 4.36Å; F129-V133 HydrophobicContact CE1-CG2 3.75Å; F129-V133 HydrophobicContact CE2-CG2 3.85Å; F129-V133 HydrophobicContact CZ-CG2 3.5Å; F129-V133 VanDerWaalsContact CZ-CG2 3.5Å; F129-V133 WeakPolarHBondContact O-CG2 3.31Å; F129-V133 PolarHBondContact O-N 2.97Å
130N86.5Confident84.1Confident37 Ų3745.8 Ų45.820%0.19823%0.234CC..Hα-helixtrans-60.9-41177.8-74.6-59.4000112N126 Q127 V133 N134N126-N130 PolarHBondContact O-N 2.73Å; N126-N130 PolarHBondContact O-ND2 3.48Å; N126-N130 PolarHBondContact OD1-ND2 3.41Å; N126-N130 VanDerWaalsContact OD1-ND2 3.07Å; Q127-N130 PolarHBondContact O-N 3.49Å; N130-V133 PolarHBondContact O-N 3.09Å; N130-N134 WeakPolarHBondContact O-CB 3.4Å; N130-N134 PolarHBondContact O-N 2.83Å; N130-N134 PolarHBondContact O-ND2 3.25Å
131A86.3Confident82.6Confident23 Ų2350.1 Ų50.119%0.1926%0.255CS..Hα-helixtrans-62.5-42175.200000112.2Q127 S128 F129 N134 Y135 Y153Q127-A131 VanDerWaalsContact O-CB 3.32Å; Q127-A131 WeakPolarHBondContact O-CB 3.26Å; Q127-A131 PolarHBondContact O-N 2.93Å; S128-A131 PolarHBondContact O-N 3.01Å; F129-A131 VanDerWaalsContact C-N 3.33Å; F129-A131 PolarHBondContact O-N 2.93Å; A131-N134 PolarHBondContact O-N 2.78Å; A131-Y135 WeakPolarHBondContact O-CB 3.36Å; A131-Y135 PolarHBondContact O-N 2.83Å; A131-Y153 HydrophobicContact CB-CD2 4.03Å
132L88.1Confident81.3Confident58 Ų5849.6 Ų49.630%0.30426%0.263SS..Hα-helixtrans-63.5-45.4176.3176.464.2000112F91 V93 S128 F129 Y135 T136F91-L132 HydrophobicContact CD1-CD1 4.31Å; F91-L132 HydrophobicContact CD1-CD2 4.14Å; F91-L132 HydrophobicContact CE1-CD2 4.06Å; V93-L132 HydrophobicContact CB-CD2 4.08Å; V93-L132 HydrophobicContact CG1-CD2 3.86Å; S128-L132 WeakPolarHBondContact O-CB 3.27Å; S128-L132 PolarHBondContact O-N 3.49Å; F129-L132 WeakPolarHBondContact O-CB 3.46Å; F129-L132 PolarHBondContact O-N 3.24Å; L132-Y135 PolarHBondContact O-N 3.49Å; L132-T136 WeakPolarHBondContact O-CB 3.2Å; L132-T136 PolarHBondContact O-N 3.24Å; L132-T136 PolarHBondContact O-OG1 3.34Å
133V85.6Confident80.4Confident2 Ų250.8 Ų50.81%0.01228%0.275CS..Hα-helixtrans-60.5-47.6176.1170.30000110.1F129 N130 Y135 T136 N137F129-V133 HydrophobicContact CD1-CG2 4.27Å; F129-V133 HydrophobicContact CD2-CG2 4.36Å; F129-V133 HydrophobicContact CE1-CG2 3.75Å; F129-V133 HydrophobicContact CE2-CG2 3.85Å; F129-V133 HydrophobicContact CZ-CG2 3.5Å; F129-V133 VanDerWaalsContact CZ-CG2 3.5Å; F129-V133 WeakPolarHBondContact O-CG2 3.31Å; F129-V133 PolarHBondContact O-N 2.97Å; N130-V133 PolarHBondContact O-N 3.09Å; V133-Y135 VanDerWaalsContact C-N 3.34Å; V133-Y135 PolarHBondContact O-N 2.84Å; V133-T136 PolarHBondContact O-N 2.93Å; V133-N137 PolarHBondContact O-N 3.4Å; V133-N137 PolarHBondContact O-ND2 3.27Å
134N83Confident79.8Confident44 Ų4452.2 Ų52.224%0.23528%0.284CS..Hα-helixtrans-61.9-41178.2-73.1-18.3000112.4N130 A131 T136 R138 L149 M198N130-N134 WeakPolarHBondContact O-CB 3.4Å; N130-N134 PolarHBondContact O-N 2.83Å; N130-N134 PolarHBondContact O-ND2 3.25Å; A131-N134 PolarHBondContact O-N 2.78Å; N134-T136 VanDerWaalsContact C-N 3.34Å; N134-R138 PolarHBondContact O-N 3.27Å; N134-L149 HydrophobicContact CB-CD2 3.64Å; N134-M198 HydrophobicContact CB-CE 3.66Å; N134-M198 HydrophobicContact CB-SD 4.32Å; N134-M198 WeakPolarHBondContact ND2-CG 3.31Å
135Y83.8Confident79.5Confident115 Ų11548.4 Ų48.445%0.45127%0.273SS..Hα-helixtrans-65.2-38.2175.7179.5-98.6000112.3A131 L132 V133 R138 L149A131-Y135 WeakPolarHBondContact O-CB 3.36Å; A131-Y135 PolarHBondContact O-N 2.83Å; L132-Y135 PolarHBondContact O-N 3.49Å; V133-Y135 VanDerWaalsContact C-N 3.34Å; V133-Y135 PolarHBondContact O-N 2.84Å; Y135-R138 VanDerWaalsContact O-CD 3.23Å; Y135-R138 WeakPolarHBondContact O-CD 3.47Å; Y135-R138 VanDerWaalsContact O-CG 3.26Å; Y135-R138 WeakPolarHBondContact O-CG 3.13Å; Y135-R138 PolarHBondContact O-NE 2.94Å; Y135-L149 HydrophobicContact CD2-CD1 3.8Å
136T82.8Confident79.2Confident18 Ų1849.3 Ų49.311%0.1129%0.286CS..Hα-helixtrans-73.8-31.4-177.7-55.70000112.5H83 M90 L132 V133 N134H83-T136 PolarHBondContact CD2-O 3.41Å; M90-T136 HydrophobicContact CB-CG2 3.72Å; M90-T136 HydrophobicContact CG-CG2 4.03Å; M90-T136 HydrophobicContact SD-CG2 4.17Å; L132-T136 WeakPolarHBondContact O-CB 3.2Å; L132-T136 PolarHBondContact O-N 3.24Å; L132-T136 PolarHBondContact O-OG1 3.34Å; V133-T136 PolarHBondContact O-N 2.93Å; N134-T136 VanDerWaalsContact C-N 3.34Å
137N78.6Confident79.1Confident43 Ų4353 Ų5323%0.2331%0.312CS..THydrogen-bonded Turntrans-103.513.3-176.9-62.7-92.8000113.3G94 M96 V133G94-N137 PolarHBondContact O-ND2 3.1Å; M96-N137 HydrophobicContact CE-CB 4.39Å; V133-N137 PolarHBondContact O-N 3.4Å; V133-N137 PolarHBondContact O-ND2 3.27Å
138R74.5Confident79Confident86 Ų8653.6 Ų53.633%0.32532%0.315SS..  trans-67.2133-179.969.4-167.1172.7102.51.8110.5H83 N134 Y135 G140H83-R138 PolarHBondContact CE1-O 3.06Å; H83-R138 PolarHBondContact NE2-O 3.24Å; N134-R138 PolarHBondContact O-N 3.27Å; Y135-R138 VanDerWaalsContact O-CD 3.23Å; Y135-R138 WeakPolarHBondContact O-CD 3.47Å; Y135-R138 VanDerWaalsContact O-CG 3.26Å; Y135-R138 WeakPolarHBondContact O-CG 3.13Å; Y135-R138 PolarHBondContact O-NE 2.94Å; R138-G140 PolarHBondContact O-N 2.87Å
139S65.1Low78.8Confident62 Ų6252.7 Ų52.743%0.43431%0.307SS..  trans-55.3135.2175.9-56.80000111.6D85 D141 S142 P143D85-S139 VanDerWaalsContact OD2-CA 3.32Å; D85-S139 WeakPolarHBondContact OD2-CA 3.49Å; S139-D141 VanDerWaalsContact C-N 3.33Å; S139-S142 CarbonylContact O-C 3.54Å; S139-P143 WeakPolarHBondContact O-CA 3.35Å; S139-P143 VanDerWaalsContact O-N 3.17Å
140G59.6Low78.8Confident40 Ų4054.5 Ų54.541%0.41232%0.324SS..SBendtrans-65.7-36.3173.500000112D85 R138D85-G140 PolarHBondContact OD2-N 3.41Å; R138-G140 PolarHBondContact O-N 2.87Å
141D54.4Low79Confident142 Ų14257.5 Ų57.576%0.75934%0.34SS*.SBendtrans-83.6-14.4-176.3-65.6-20.4000113.8S139S139-D141 VanDerWaalsContact C-N 3.33Å
142S64.2Low79.1Confident86 Ų8656.4 Ų56.460%0.60133%0.331SS*.SBendtrans-151.564.9178.9-73.50000109.8S139 V144S139-S142 CarbonylContact O-C 3.54Å; S142-V144 PolarHBondContact O-N 3.4Å
143P68.9Low79.2Confident55 Ų5556.6 Ų56.636%0.35733%0.328SS..PPolyproline II helixtrans-63.3134.4-172.925.3-33.1000110.2S139 P145 R201S139-P143 WeakPolarHBondContact O-CA 3.35Å; S139-P143 VanDerWaalsContact O-N 3.17Å; P143-P145 WeakPolarHBondContact O-CD 3.38Å; P143-R201 PolarHBondContact O-NH1 3.4Å
144V75.3Confident79.5Confident31 Ų3161.2 Ų61.219%0.18836%0.356CS..PPolyproline II helixtrans-60.7122167.6-178.20000107.4S142 V146 Q148 L149 M198S142-V144 PolarHBondContact O-N 3.4Å; V144-V146 PolarHBondContact O-N 3.19Å; V144-Q148 HydrophobicContact CG1-CB 3.91Å; V144-Q148 HydrophobicContact CG1-CG 4.06Å; V144-L149 HydrophobicContact CG1-CG 4Å; V144-M198 HydrophobicContact CB-CE 4.47Å; V144-M198 HydrophobicContact CG1-CE 3.91Å; V144-M198 HydrophobicContact CG2-CE 4.22Å
145P83.5Confident80Confident34 Ų3460.2 Ų60.222%0.22136%0.356CS..PPolyproline II helixtrans-55.1140.8176.9-26.635.7000111.2P143 S147 Q148 L149 R201P143-P145 WeakPolarHBondContact O-CD 3.38Å; P145-S147 WeakPolarHBondContact CB-OG 3.47Å; P145-S147 PolarHBondContact O-N 3.3Å; P145-Q148 HydrophobicContact CB-CB 4.28Å; P145-Q148 WeakPolarHBondContact O-CA 3.25Å; P145-Q148 WeakPolarHBondContact O-CB 3.48Å; P145-Q148 PolarHBondContact O-N 2.95Å; P145-L149 PolarHBondContact O-N 2.78Å; P145-R201 VanDerWaalsContact CG-CZ 3.47Å
146V85Confident80.3Confident99 Ų9954.8 Ų54.860%0.634%0.335SS*.Hα-helixtrans-57.9-32.6176.4178.50000111.2V144 Q148 L149 A150V144-V146 PolarHBondContact O-N 3.19Å; V146-Q148 VanDerWaalsContact C-N 3.32Å; V146-Q148 PolarHBondContact O-N 2.92Å; V146-L149 PolarHBondContact O-N 3.03Å; V146-A150 WeakPolarHBondContact O-CB 3.35Å; V146-A150 PolarHBondContact O-N 3.28Å
147S87Confident80.6Confident88 Ų8854.7 Ų54.762%0.61533%0.334SS*.Hα-helixtrans-61.3-38172.654.30000113P145 A150 L151P145-S147 WeakPolarHBondContact CB-OG 3.47Å; P145-S147 PolarHBondContact O-N 3.3Å; S147-A150 PolarHBondContact O-N 3.34Å; S147-L151 VanDerWaalsContact O-CB 3.26Å; S147-L151 WeakPolarHBondContact O-CB 3.2Å; S147-L151 PolarHBondContact O-N 2.89Å
148Q86.1Confident81.3Confident18 Ų1854 Ų548%0.08434%0.337CS..Hα-helixtrans-72.5-39.1177.4-170.2-179.2-9.700111.3V144 P145 V146 L151 S152 L197 M198V144-Q148 HydrophobicContact CG1-CB 3.91Å; V144-Q148 HydrophobicContact CG1-CG 4.06Å; P145-Q148 HydrophobicContact CB-CB 4.28Å; P145-Q148 WeakPolarHBondContact O-CA 3.25Å; P145-Q148 WeakPolarHBondContact O-CB 3.48Å; P145-Q148 PolarHBondContact O-N 2.95Å; V146-Q148 VanDerWaalsContact C-N 3.32Å; V146-Q148 PolarHBondContact O-N 2.92Å; Q148-L151 PolarHBondContact O-N 3.07Å; Q148-S152 VanDerWaalsContact O-CB 3.32Å; Q148-S152 WeakPolarHBondContact O-CB 3.41Å; Q148-S152 PolarHBondContact O-N 3.07Å; Q148-L197 VanDerWaalsContact CG-O 3.25Å; Q148-L197 WeakPolarHBondContact CG-O 3.42Å; Q148-L197 PolarHBondContact NE2-O 3.14Å; Q148-M198 PolarHBondContact NE2-O 2.94Å
149L86.4Confident82.1Confident14 Ų1450.5 Ų50.57%0.07333%0.328CS..Hα-helixtrans-60-46.9170.7-76.9162.9000111.4N134 Y135 V144 P145 V146 S152 Y153 M198N134-L149 HydrophobicContact CB-CD2 3.64Å; Y135-L149 HydrophobicContact CD2-CD1 3.8Å; V144-L149 HydrophobicContact CG1-CG 4Å; P145-L149 PolarHBondContact O-N 2.78Å; V146-L149 PolarHBondContact O-N 3.03Å; L149-S152 PolarHBondContact O-N 3.46Å; L149-Y153 VanDerWaalsContact O-CB 3.3Å; L149-Y153 WeakPolarHBondContact O-CB 3.39Å; L149-Y153 PolarHBondContact O-N 3.43Å; L149-M198 HydrophobicContact CD2-CE 3.6Å; L149-M198 HydrophobicContact CD2-SD 3.71Å; L149-M198 HydrophobicContact CG-CE 4.43Å; L149-M198 HydrophobicContact CG-SD 4.46Å
150A89.6Confident83.2Confident49 Ų4947.5 Ų47.541%0.40531%0.307SS..Hα-helixtrans-64.4-44178.500000111.9V146 S147 Y153 V154V146-A150 WeakPolarHBondContact O-CB 3.35Å; V146-A150 PolarHBondContact O-N 3.28Å; S147-A150 PolarHBondContact O-N 3.34Å; A150-Y153 PolarHBondContact O-N 3.47Å; A150-V154 WeakPolarHBondContact O-CG2 3.43Å; A150-V154 PolarHBondContact O-N 3.47Å
151L91.2Very high84.7Confident101 Ų10147.4 Ų47.453%0.52930%0.297SS..Hα-helixtrans-60.8-46.1175.8178.862.4000111.3S147 Q148 Y153 V154 G155 L197S147-L151 VanDerWaalsContact O-CB 3.26Å; S147-L151 WeakPolarHBondContact O-CB 3.2Å; S147-L151 PolarHBondContact O-N 2.89Å; Q148-L151 PolarHBondContact O-N 3.07Å; L151-Y153 VanDerWaalsContact C-N 3.35Å; L151-V154 PolarHBondContact O-N 2.98Å; L151-G155 PolarHBondContact O-N 2.77Å; L151-L197 HydrophobicContact CD2-CD2 4.24Å; L151-L197 HydrophobicContact CG-CD1 4.39Å; L151-L197 HydrophobicContact CG-CD2 4.42Å
152S88.4Confident86.5Confident0 Ų046.8 Ų46.80%029%0.292CS..Hα-helixtrans-62.2-43176.7-176.90000111.8Q148 L149 A156 N194 M198Q148-S152 VanDerWaalsContact O-CB 3.32Å; Q148-S152 WeakPolarHBondContact O-CB 3.41Å; Q148-S152 PolarHBondContact O-N 3.07Å; L149-S152 PolarHBondContact O-N 3.46Å; S152-A156 WeakPolarHBondContact O-CB 3.42Å; S152-A156 PolarHBondContact O-N 3.39Å; S152-N194 WeakPolarHBondContact OG-CA 3.34Å; S152-N194 PolarHBondContact OG-ND2 2.84Å; S152-N194 PolarHBondContact OG-O 2.94Å; S152-M198 WeakPolarHBondContact OG-CG 3.32Å
153Y90Very high87.8Confident61 Ų6144.3 Ų44.324%0.23927%0.274CS..Hα-helixtrans-61.5-50.8176.7173-106.2000112.7W124 Q127 S128 A131 L149 A150 L151 T157W124-Y153 PolarHBondContact NE1-OH 3.38Å; Q127-Y153 HydrophobicContact CB-CD2 3.81Å; Q127-Y153 HydrophobicContact CB-CE2 3.81Å; S128-Y153 WeakPolarHBondContact OG-CE2 3.21Å; S128-Y153 PolarHBondContact OG-OH 3.05Å; S128-Y153 VanDerWaalsContact OG-OH 3.06Å; A131-Y153 HydrophobicContact CB-CD2 4.03Å; L149-Y153 VanDerWaalsContact O-CB 3.3Å; L149-Y153 WeakPolarHBondContact O-CB 3.39Å; L149-Y153 PolarHBondContact O-N 3.43Å; A150-Y153 PolarHBondContact O-N 3.47Å; L151-Y153 VanDerWaalsContact C-N 3.35Å; Y153-T157 VanDerWaalsContact O-CB 3.24Å; Y153-T157 WeakPolarHBondContact O-CB 3.42Å; Y153-T157 PolarHBondContact O-N 3.31Å; Y153-T157 PolarHBondContact O-OG1 3.42Å
154V92.4Very high88.6Confident99 Ų9941.8 Ų41.860%0.626%0.257SS*.Hα-helixtrans-64.6-46.9179.5172.20000110.5A150 L151 T157 G158A150-V154 WeakPolarHBondContact O-CG2 3.43Å; A150-V154 PolarHBondContact O-N 3.47Å; L151-V154 PolarHBondContact O-N 2.98Å; V154-T157 PolarHBondContact O-N 3.21Å; V154-G158 PolarHBondContact O-N 3.39Å
155G92.5Very high89.2Confident24 Ų2443.7 Ų43.725%0.24727%0.266CS..Hα-helixtrans-62.2-47.1179.400000112.4L151 G159 I193L151-G155 PolarHBondContact O-N 2.77Å; G155-G159 PolarHBondContact O-N 2.93Å; G155-I193 VanDerWaalsContact C-CG2 3.47Å
156A90.3Very high89.6Confident0 Ų043.7 Ų43.70%027%0.272CS..Hα-helixtrans-69.3-38.7-179.800000112.1Q127 S152 A160 I193 N194Q127-A156 HydrophobicContact CG-CB 4.3Å; Q127-A156 VanDerWaalsContact OE1-CB 3.23Å; S152-A156 WeakPolarHBondContact O-CB 3.42Å; S152-A156 PolarHBondContact O-N 3.39Å; A156-A160 WeakPolarHBondContact O-CB 3.19Å; A156-A160 PolarHBondContact O-N 3.31Å; A156-I193 HydrophobicContact CB-CG2 4.49Å; A156-N194 HydrophobicContact CB-CB 3.74Å
157T90.3Very high89.7Confident16 Ų1641.4 Ų41.410%0.09826%0.257CS..Hα-helixtrans-65.2-49.3175.2-54.90000110.2Q127 Y153 V154 G159 A160 L161Q127-T157 WeakPolarHBondContact CB-OG1 3.39Å; Q127-T157 WeakPolarHBondContact CG-OG1 3.4Å; Y153-T157 VanDerWaalsContact O-CB 3.24Å; Y153-T157 WeakPolarHBondContact O-CB 3.42Å; Y153-T157 PolarHBondContact O-N 3.31Å; Y153-T157 PolarHBondContact O-OG1 3.42Å; V154-T157 PolarHBondContact O-N 3.21Å; T157-G159 PolarHBondContact O-N 2.8Å; T157-A160 PolarHBondContact O-N 3.34Å; T157-L161 HydrophobicContact CG2-CD1 3.95Å; T157-L161 HydrophobicContact CG2-CG 4.36Å; T157-L161 WeakPolarHBondContact O-CB 3.42Å; T157-L161 WeakPolarHBondContact O-CG 3.21Å; T157-L161 PolarHBondContact O-N 3Å
158G91.8Very high89.6Confident29 Ų2938.3 Ų38.330%0.29923%0.233SC..Hα-helixtrans-58.5-48.5177.100000112.2V154 L161 I162V154-G158 PolarHBondContact O-N 3.39Å; G158-L161 PolarHBondContact O-N 3.26Å; G158-I162 WeakPolarHBondContact O-CB 3.46Å; G158-I162 WeakPolarHBondContact O-CG1 3.44Å; G158-I162 PolarHBondContact O-N 2.87Å
159G91.6Very high89.5Confident12 Ų1240.8 Ų40.812%0.12425%0.252CS..Hα-helixtrans-60.5-46.2176.800000113G155 T157 L161 I162 T163G155-G159 PolarHBondContact O-N 2.93Å; T157-G159 PolarHBondContact O-N 2.8Å; G159-L161 VanDerWaalsContact C-N 3.34Å; G159-L161 PolarHBondContact O-N 2.98Å; G159-I162 PolarHBondContact O-N 3.49Å; G159-T163 WeakPolarHBondContact O-CB 3.35Å; G159-T163 PolarHBondContact O-N 3.27Å; G159-T163 PolarHBondContact O-OG1 3.38Å; G159-T163 VanDerWaalsContact O-OG1 3.05Å
160A89.2Confident89.7Confident0 Ų046.8 Ų46.80%028%0.284CS..Hα-helixtrans-58.9-45.2176.400000111.8Q123 A156 T157 A164 A190Q123-A160 HydrophobicContact CB-CB 4.31Å; Q123-A160 HydrophobicContact CG-CB 4.32Å; A156-A160 WeakPolarHBondContact O-CB 3.19Å; A156-A160 PolarHBondContact O-N 3.31Å; T157-A160 PolarHBondContact O-N 3.34Å; A160-A164 WeakPolarHBondContact O-CB 3.24Å; A160-A164 PolarHBondContact O-N 3.4Å; A160-A190 HydrophobicContact CB-CB 3.95Å
161L90.7Very high89.5Confident38 Ų3845.4 Ų45.420%0.19927%0.27CS..Hα-helixtrans-69-44.3-179.9-66.9178.6000111.9V120 Q123 T157 G158 G159 T163 A164 L165V120-L161 HydrophobicContact CB-CD2 4.01Å; V120-L161 HydrophobicContact CG1-CD2 3.94Å; V120-L161 HydrophobicContact CG2-CD2 3.95Å; Q123-L161 HydrophobicContact CB-CD2 4.04Å; T157-L161 HydrophobicContact CG2-CD1 3.95Å; T157-L161 HydrophobicContact CG2-CG 4.36Å; T157-L161 WeakPolarHBondContact O-CB 3.42Å; T157-L161 WeakPolarHBondContact O-CG 3.21Å; T157-L161 PolarHBondContact O-N 3Å; G158-L161 PolarHBondContact O-N 3.26Å; G159-L161 VanDerWaalsContact C-N 3.34Å; G159-L161 PolarHBondContact O-N 2.98Å; L161-T163 VanDerWaalsContact C-N 3.34Å; L161-T163 PolarHBondContact O-N 3Å; L161-A164 PolarHBondContact O-N 3.45Å; L161-L165 VanDerWaalsContact O-CB 3.24Å; L161-L165 WeakPolarHBondContact O-CB 3.36Å; L161-L165 WeakPolarHBondContact O-CG 3.42Å; L161-L165 PolarHBondContact O-N 3.28Å
162I92.6Very high89Confident128 Ų12847.9 Ų47.966%0.65628%0.277SS*.Hα-helixtrans-58.8-48176.2-71.3165.6000109.9G158 G159 G166G158-I162 WeakPolarHBondContact O-CB 3.46Å; G158-I162 WeakPolarHBondContact O-CG1 3.44Å; G158-I162 PolarHBondContact O-N 2.87Å; G159-I162 PolarHBondContact O-N 3.49Å; I162-G166 WeakPolarHBondContact O-CA 3.46Å; I162-G166 PolarHBondContact O-N 3.29Å
163T90.2Very high88.7Confident35 Ų3554 Ų5422%0.21532%0.319CS..Hα-helixtrans-64.3-47.1177.8-60.10000111.4G159 L161 L167 C185 A186 A189G159-T163 WeakPolarHBondContact O-CB 3.35Å; G159-T163 PolarHBondContact O-N 3.27Å; G159-T163 PolarHBondContact O-OG1 3.38Å; G159-T163 VanDerWaalsContact O-OG1 3.05Å; L161-T163 VanDerWaalsContact C-N 3.34Å; L161-T163 PolarHBondContact O-N 3Å; T163-L167 HydrophobicContact CG2-CD1 3.59Å; T163-L167 HydrophobicContact CG2-CG 4.18Å; T163-L167 WeakPolarHBondContact O-CB 3.26Å; T163-L167 VanDerWaalsContact O-CG 3.24Å; T163-L167 WeakPolarHBondContact O-CG 3.26Å; T163-L167 PolarHBondContact O-N 2.97Å; T163-C185 HydrophobicContact CG2-CB 4.19Å; T163-A186 HydrophobicContact CG2-CB 4.42Å; T163-A189 HydrophobicContact CG2-CB 4.03Å; T163-A189 VanDerWaalsContact OG1-CB 3.26Å; T163-A189 WeakPolarHBondContact OG1-CB 3.36Å
164A86.5Confident88.4Confident1 Ų152.4 Ų52.41%0.00832%0.319CS..Hα-helixtrans-63.6-47.7-178.400000112.4V119 A160 L161 N168 A186V119-A164 HydrophobicContact CG1-CB 3.71Å; A160-A164 WeakPolarHBondContact O-CB 3.24Å; A160-A164 PolarHBondContact O-N 3.4Å; L161-A164 PolarHBondContact O-N 3.45Å; A164-N168 WeakPolarHBondContact O-CB 3.39Å; A164-N168 VanDerWaalsContact O-CG 3.3Å; A164-N168 PolarHBondContact O-N 3.46Å; A164-N168 PolarHBondContact O-ND2 3.24Å; A164-A186 HydrophobicContact CB-CB 3.85Å
165L88.8Confident87.8Confident72 Ų7251.4 Ų51.438%0.37731%0.314SS..Hα-helixtrans-72.6-43.4-178.7-62.7177.3000111.5T116 V120 L161 N168 S169T116-L165 HydrophobicContact CG2-CD2 3.34Å; V120-L165 HydrophobicContact CG2-CD2 4.19Å; L161-L165 VanDerWaalsContact O-CB 3.24Å; L161-L165 WeakPolarHBondContact O-CB 3.36Å; L161-L165 WeakPolarHBondContact O-CG 3.42Å; L161-L165 PolarHBondContact O-N 3.28Å; L165-N168 PolarHBondContact O-N 2.92Å; L165-S169 PolarHBondContact O-N 3.08Å
166G90.5Very high86.9Confident34 Ų3454.6 Ų54.635%0.35133%0.331SS..Hα-helixtrans-61.6-52.2178.100000111.5I162 S169 L170I162-G166 WeakPolarHBondContact O-CA 3.46Å; I162-G166 PolarHBondContact O-N 3.29Å; G166-S169 WeakPolarHBondContact O-CB 3.18Å; G166-S169 PolarHBondContact O-N 3.47Å; G166-L170 WeakPolarHBondContact O-CG 3.41Å; G166-L170 PolarHBondContact O-N 3.28Å; G166-L170 VanDerWaalsContact O-N 3.13Å
167L88Confident86.2Confident51 Ų5157.8 Ų57.827%0.26735%0.347SS..Hα-helixtrans-63.8-45.5177.1-68.4177.9000111.3T163 S169 L170 V171 V182 C185T163-L167 HydrophobicContact CG2-CD1 3.59Å; T163-L167 HydrophobicContact CG2-CG 4.18Å; T163-L167 WeakPolarHBondContact O-CB 3.26Å; T163-L167 VanDerWaalsContact O-CG 3.24Å; T163-L167 WeakPolarHBondContact O-CG 3.26Å; T163-L167 PolarHBondContact O-N 2.97Å; L167-S169 PolarHBondContact O-N 3.27Å; L167-S169 VanDerWaalsContact O-N 3.13Å; L167-L170 PolarHBondContact O-N 3.25Å; L167-V171 WeakPolarHBondContact O-CG2 3.49Å; L167-V171 PolarHBondContact O-N 3.27Å; L167-V182 HydrophobicContact CB-CG1 3.96Å; L167-V182 HydrophobicContact CB-CG2 3.98Å; L167-C185 HydrophobicContact CD1-CB 3.36Å
168N83.7Confident85.7Confident23 Ų2360.9 Ų60.912%0.12336%0.362CS..Hα-helixtrans-54.2-35.2175.5-92.2-53.6000112.8Y114 A164 L165 K172Y114-N168 PolarHBondContact OH-ND2 2.68Å; Y114-N168 PolarHBondContact OH-OD1 3.33Å; A164-N168 WeakPolarHBondContact O-CB 3.39Å; A164-N168 VanDerWaalsContact O-CG 3.3Å; A164-N168 PolarHBondContact O-N 3.46Å; A164-N168 PolarHBondContact O-ND2 3.24Å; L165-N168 PolarHBondContact O-N 2.92Å; N168-K172 WeakPolarHBondContact O-CG 3.28Å
169S85.8Confident84.8Confident69 Ų6961 Ų6148%0.48336%0.356SS..Hα-helixtrans-71.2-36.1175.9-165.70000113L165 G166 L167L165-S169 PolarHBondContact O-N 3.08Å; G166-S169 WeakPolarHBondContact O-CB 3.18Å; G166-S169 PolarHBondContact O-N 3.47Å; L167-S169 PolarHBondContact O-N 3.27Å; L167-S169 VanDerWaalsContact O-N 3.13Å
170L88.9Confident83.9Confident141 Ų14164.2 Ų64.274%0.73837%0.365SS*.Hα-helixtrans-77-33.5-179.2-66.7172.6000113G166 L167G166-L170 WeakPolarHBondContact O-CG 3.41Å; G166-L170 PolarHBondContact O-N 3.28Å; G166-L170 VanDerWaalsContact O-N 3.13Å; L167-L170 PolarHBondContact O-N 3.25Å
171V85.6Confident83.5Confident20 Ų2068.1 Ų68.112%0.12139%0.385CS..SBendtrans-96.59.1-173.3-620000113.9L167 S173 A174 I178 N179 V182L167-V171 WeakPolarHBondContact O-CG2 3.49Å; L167-V171 PolarHBondContact O-N 3.27Å; V171-S173 PolarHBondContact O-N 3.18Å; V171-S173 VanDerWaalsContact O-N 3.14Å; V171-A174 HydrophobicContact CB-CB 3.9Å; V171-A174 HydrophobicContact CG1-CB 4.38Å; V171-A174 VanDerWaalsContact O-CB 3.24Å; V171-A174 WeakPolarHBondContact O-CB 3.32Å; V171-A174 PolarHBondContact O-N 2.85Å; V171-I178 HydrophobicContact CB-CG2 4.18Å; V171-I178 HydrophobicContact CG1-CG2 3.65Å; V171-N179 WeakPolarHBondContact CG2-OD1 3.46Å; V171-N179 VanDerWaalsContact O-CG 3.31Å; V171-N179 PolarHBondContact O-ND2 3.06Å; V171-N179 PolarHBondContact O-OD1 2.71Å; V171-N179 VanDerWaalsContact O-OD1 3.04Å; V171-V182 HydrophobicContact CG2-CG2 3.52Å
172K80.8Confident83.1Confident153 Ų15366.5 Ų66.567%0.66538%0.377SS*.THydrogen-bonded Turntrans-51.3-39.7178.5-68.8-178.1172.81600113.6N168N168-K172 WeakPolarHBondContact O-CG 3.28Å
173S82.8Confident82.5Confident128 Ų12860.6 Ų60.690%0.89535%0.347SS*.THydrogen-bonded Turntrans-95-0.4179.9-53.50000113.4V171V171-S173 PolarHBondContact O-N 3.18Å; V171-S173 VanDerWaalsContact O-N 3.14Å
174A83.2Confident82.2Confident27 Ų2760.4 Ų60.422%0.22334%0.344CS..SBendtrans-79.5158.6-178.200000111.5V171 I178 N179V171-A174 HydrophobicContact CB-CB 3.9Å; V171-A174 HydrophobicContact CG1-CB 4.38Å; V171-A174 VanDerWaalsContact O-CB 3.24Å; V171-A174 WeakPolarHBondContact O-CB 3.32Å; V171-A174 PolarHBondContact O-N 2.85Å; A174-I178 HydrophobicContact CB-CB 3.95Å; A174-I178 HydrophobicContact CB-CD1 4.23Å; A174-I178 HydrophobicContact CB-CG2 4.12Å; A174-N179 PolarHBondContact O-ND2 3.44Å
175P80.8Confident82.3Confident79 Ų7963 Ų6351%0.51336%0.362SS..  trans-51.4145.5173.1-2734.7000111.9L177 I178 N179P175-L177 PolarHBondContact O-N 3.36Å; P175-I178 PolarHBondContact O-N 3.13Å; P175-N179 PolarHBondContact O-N 3.5Å
176P74Confident82.3Confident91 Ų9159.6 Ų59.659%0.59134%0.344SS*.Hα-helixtrans-52.5-28.9-177.1-29.234.9000114.5N179 R180P176-N179 PolarHBondContact O-N 3.29Å; P176-R180 VanDerWaalsContact O-CG 3.25Å; P176-R180 WeakPolarHBondContact O-CG 3.29Å; P176-R180 PolarHBondContact O-N 3.29Å; P176-R180 VanDerWaalsContact O-N 3.09Å
177L74.7Confident82.1Confident67 Ų6758.6 Ų58.635%0.35133%0.331SS..Hα-helixtrans-62.7-39.6176.1-63.6175.7000112.9P175 R180 L181 R245P175-L177 PolarHBondContact O-N 3.36Å; L177-R180 PolarHBondContact O-N 2.93Å; L177-L181 PolarHBondContact O-N 2.99Å; L177-R245 HydrophobicContact CD2-CG 4.17Å; L177-R245 VanDerWaalsContact CD2-NE 3.34Å
178I79.5Confident82.2Confident80 Ų8057.1 Ų57.141%0.4133%0.326SS..Hα-helixtrans-70.1-42.7179.1-57.3-169.3000109.9V171 A174 P175 R180 L181V171-I178 HydrophobicContact CB-CG2 4.18Å; V171-I178 HydrophobicContact CG1-CG2 3.65Å; A174-I178 HydrophobicContact CB-CB 3.95Å; A174-I178 HydrophobicContact CB-CD1 4.23Å; A174-I178 HydrophobicContact CB-CG2 4.12Å; P175-I178 PolarHBondContact O-N 3.13Å; I178-R180 PolarHBondContact O-N 2.8Å; I178-L181 WeakPolarHBondContact O-CB 3.36Å; I178-L181 PolarHBondContact O-N 2.87Å
179N73.3Confident82.7Confident31 Ų3157.1 Ų57.117%0.16633%0.329CS..Hα-helixtrans-55.8-39.1174.1-84.4-56.3000112.4Y114 V171 A174 P175 P176 L181 V182Y114-N179 PolarHBondContact OH-O 3.3Å; Y114-N179 VanDerWaalsContact OH-O 3.09Å; V171-N179 WeakPolarHBondContact CG2-OD1 3.46Å; V171-N179 VanDerWaalsContact O-CG 3.31Å; V171-N179 PolarHBondContact O-ND2 3.06Å; V171-N179 PolarHBondContact O-OD1 2.71Å; V171-N179 VanDerWaalsContact O-OD1 3.04Å; A174-N179 PolarHBondContact O-ND2 3.44Å; P175-N179 PolarHBondContact O-N 3.5Å; P176-N179 PolarHBondContact O-N 3.29Å; N179-L181 VanDerWaalsContact C-N 3.25Å; N179-L181 PolarHBondContact O-N 3.21Å; N179-V182 WeakPolarHBondContact O-CB 3.25Å; N179-V182 WeakPolarHBondContact O-CG2 3.43Å; N179-V182 PolarHBondContact O-N 3.32Å
180R72.4Confident83Confident81 Ų8153.9 Ų53.931%0.30631%0.306SS..THydrogen-bonded Turntrans-71.6-14.1178.9-69.5168.1177.7-170-2.4114.3P176 L177 I178 P183 L248 D249P176-R180 VanDerWaalsContact O-CG 3.25Å; P176-R180 WeakPolarHBondContact O-CG 3.29Å; P176-R180 PolarHBondContact O-N 3.29Å; P176-R180 VanDerWaalsContact O-N 3.09Å; L177-R180 PolarHBondContact O-N 2.93Å; I178-R180 PolarHBondContact O-N 2.8Å; R180-P183 WeakPolarHBondContact O-CD 3.44Å; R180-L248 HydrophobicContact CB-CD1 3.95Å; R180-L248 HydrophobicContact CG-CD1 4.45Å; R180-L248 HydrophobicContact CG-CD2 4.48Å; R180-D249 IonicContact CZ-OD1 3.08Å; R180-D249 IonicContact NH1-OD1 3.66Å; R180-D249 PolarHBondContact NH1-OD1 3.43Å; R180-D249 IonicContact NH1-OD2 2.72Å; R180-D249 IonicContact NH2-OD1 3.34Å; R180-D249 PolarHBondContact NH2-OD1 3.3Å
181L80.2Confident83.1Confident82 Ų8248.5 Ų48.543%0.42928%0.279SS..THydrogen-bonded Turntrans-85.6-12.4175.3-65.3175.7000113.3L177 I178 N179 L184 C185L177-L181 PolarHBondContact O-N 2.99Å; I178-L181 WeakPolarHBondContact O-CB 3.36Å; I178-L181 PolarHBondContact O-N 2.87Å; N179-L181 VanDerWaalsContact C-N 3.25Å; N179-L181 PolarHBondContact O-N 3.21Å; L181-L184 HydrophobicContact CD2-CD2 4.34Å; L181-L184 WeakPolarHBondContact O-CB 2.9Å; L181-L184 PolarHBondContact O-N 3.41Å; L181-C185 PolarHBondContact O-N 3.17Å; L181-C185 PolarHBondContact O-SG 3.47Å
182V82.1Confident83.5Confident4 Ų450.7 Ų50.72%0.02429%0.294CS..Hα-helixtrans-58.1-43-179.21740000112.8Y114 L167 V171 N179 L184 C185 A186Y114-V182 VanDerWaalsContact OH-CB 3.25Å; Y114-V182 WeakPolarHBondContact OH-CB 3.48Å; L167-V182 HydrophobicContact CB-CG1 3.96Å; L167-V182 HydrophobicContact CB-CG2 3.98Å; V171-V182 HydrophobicContact CG2-CG2 3.52Å; N179-V182 WeakPolarHBondContact O-CB 3.25Å; N179-V182 WeakPolarHBondContact O-CG2 3.43Å; N179-V182 PolarHBondContact O-N 3.32Å; V182-L184 VanDerWaalsContact C-N 3.28Å; V182-L184 PolarHBondContact O-N 2.69Å; V182-C185 PolarHBondContact O-N 3.26Å; V182-A186 WeakPolarHBondContact O-CB 3.41Å; V182-A186 PolarHBondContact O-N 3.37Å
183P80.5Confident84.1Confident4 Ų446 Ų463%0.02628%0.275CS..Hα-helixtrans-56.1-40.6172-27.435.8000113.6M110 Y114 R180 A186 V187 M243M110-P183 HydrophobicContact CE-CB 3.84Å; M110-P183 HydrophobicContact CG-CB 4.5Å; M110-P183 HydrophobicContact SD-CB 4.16Å; Y114-P183 HydrophobicContact CD2-CG 4.04Å; Y114-P183 HydrophobicContact CE2-CG 3.52Å; R180-P183 WeakPolarHBondContact O-CD 3.44Å; P183-A186 PolarHBondContact O-N 3.01Å; P183-V187 WeakPolarHBondContact O-CG2 3.5Å; P183-V187 PolarHBondContact O-N 2.82Å; P183-M243 HydrophobicContact CB-CE 4.1Å; P183-M243 HydrophobicContact CB-SD 4.15Å
184L84.7Confident84.5Confident31 Ų3140.6 Ų40.616%0.16224%0.237CC..Hα-helixtrans-64.8-46.3178.9-179.763.7000110.6L181 V182 A186 V187 A188 A239 V240 M243L181-L184 HydrophobicContact CD2-CD2 4.34Å; L181-L184 WeakPolarHBondContact O-CB 2.9Å; L181-L184 PolarHBondContact O-N 3.41Å; V182-L184 VanDerWaalsContact C-N 3.28Å; V182-L184 PolarHBondContact O-N 2.69Å; L184-A186 VanDerWaalsContact C-N 3.32Å; L184-A186 PolarHBondContact O-N 2.75Å; L184-V187 PolarHBondContact O-N 3.45Å; L184-A188 WeakPolarHBondContact O-CB 3.12Å; L184-A188 PolarHBondContact O-N 2.82Å; L184-A239 HydrophobicContact CD1-CB 3.92Å; L184-V240 HydrophobicContact CD1-CG2 4.07Å; L184-V240 HydrophobicContact CD2-CG2 4.32Å; L184-M243 WeakPolarHBondContact CA-SD 3.33Å; L184-M243 HydrophobicContact CB-SD 3.59Å; L184-M243 VanDerWaalsContact CB-SD 3.59Å; L184-M243 HydrophobicContact CD1-SD 3.92Å; L184-M243 HydrophobicContact CG-SD 4.36Å; L184-M243 PolarHBondContact N-SD 2.92Å
185C88.7Confident84.8Confident56 Ų5640 Ų4038%0.37823%0.23SC..Hα-helixtrans-61.5-40.7176.1-64.90000112T163 L167 L181 V182 A188 A189T163-C185 HydrophobicContact CG2-CB 4.19Å; L167-C185 HydrophobicContact CD1-CB 3.36Å; L181-C185 PolarHBondContact O-N 3.17Å; L181-C185 PolarHBondContact O-SG 3.47Å; V182-C185 PolarHBondContact O-N 3.26Å; C185-A188 PolarHBondContact O-N 2.85Å; C185-A189 WeakPolarHBondContact O-CB 3.4Å; C185-A189 PolarHBondContact O-N 3.36Å
186A87.9Confident85.3Confident0 Ų037.9 Ų37.90%022%0.216CC..Hα-helixtrans-65.8-43.7177.700000112.1T163 A164 V182 P183 L184 A188 A189 A190T163-A186 HydrophobicContact CG2-CB 4.42Å; A164-A186 HydrophobicContact CB-CB 3.85Å; V182-A186 WeakPolarHBondContact O-CB 3.41Å; V182-A186 PolarHBondContact O-N 3.37Å; P183-A186 PolarHBondContact O-N 3.01Å; L184-A186 VanDerWaalsContact C-N 3.32Å; L184-A186 PolarHBondContact O-N 2.75Å; A186-A188 VanDerWaalsContact C-N 3.32Å; A186-A188 PolarHBondContact O-N 2.95Å; A186-A189 PolarHBondContact O-N 2.89Å; A186-A190 WeakPolarHBondContact O-CB 3.43Å; A186-A190 PolarHBondContact O-N 3.06Å
187V85.8Confident86.1Confident13 Ų1335.4 Ų35.48%0.07920%0.197CC..Hα-helixtrans-63.3-39.7173.5170.60000110.8M110 P183 L184 A190 N191 A239 M243M110-V187 HydrophobicContact CE-CG2 4.05Å; P183-V187 WeakPolarHBondContact O-CG2 3.5Å; P183-V187 PolarHBondContact O-N 2.82Å; L184-V187 PolarHBondContact O-N 3.45Å; V187-A190 PolarHBondContact O-N 3.5Å; V187-N191 WeakPolarHBondContact CG1-ND2 3.34Å; V187-N191 PolarHBondContact O-N 3.34Å; V187-N191 PolarHBondContact O-ND2 3.33Å; V187-A239 HydrophobicContact CG1-CB 4.11Å; V187-M243 HydrophobicContact CG2-CE 4.02Å
188A91.6Very high86.7Confident20 Ų2033.3 Ų33.317%0.16519%0.186CC..Hα-helixtrans-64.7-47.8177.600000112.1L184 C185 A186 A190 N191 C192 I236L184-A188 WeakPolarHBondContact O-CB 3.12Å; L184-A188 PolarHBondContact O-N 2.82Å; C185-A188 PolarHBondContact O-N 2.85Å; A186-A188 VanDerWaalsContact C-N 3.32Å; A186-A188 PolarHBondContact O-N 2.95Å; A188-A190 VanDerWaalsContact C-N 3.29Å; A188-A190 PolarHBondContact O-N 2.86Å; A188-N191 PolarHBondContact O-N 3.45Å; A188-C192 PolarHBondContact O-N 3.32Å; A188-C192 PolarHBondContact O-SG 2.73Å; A188-I236 HydrophobicContact CB-CD1 4.05Å; A188-I236 HydrophobicContact CB-CG1 3.96Å; A188-I236 HydrophobicContact CB-CG2 4.05Å
189A93.5Very high87.1Confident22 Ų2230.7 Ų30.718%0.18217%0.171CC..Hα-helixtrans-58.2-42.8174.600000111.6T163 C185 A186 N191 C192 I193T163-A189 HydrophobicContact CG2-CB 4.03Å; T163-A189 VanDerWaalsContact OG1-CB 3.26Å; T163-A189 WeakPolarHBondContact OG1-CB 3.36Å; C185-A189 WeakPolarHBondContact O-CB 3.4Å; C185-A189 PolarHBondContact O-N 3.36Å; A186-A189 PolarHBondContact O-N 2.89Å; A189-N191 PolarHBondContact O-N 3Å; A189-C192 PolarHBondContact O-N 3.07Å; A189-I193 WeakPolarHBondContact O-CG1 3.27Å; A189-I193 PolarHBondContact O-N 2.98Å
190A91.1Very high87.8Confident1 Ų133.7 Ų33.71%0.00818%0.183CC..Hα-helixtrans-60.4-45.1176.500000112.1A160 A186 V187 A188 I193 N194A160-A190 HydrophobicContact CB-CB 3.95Å; A186-A190 WeakPolarHBondContact O-CB 3.43Å; A186-A190 PolarHBondContact O-N 3.06Å; V187-A190 PolarHBondContact O-N 3.5Å; A188-A190 VanDerWaalsContact C-N 3.29Å; A188-A190 PolarHBondContact O-N 2.86Å; A190-I193 PolarHBondContact O-N 3.32Å; A190-N194 WeakPolarHBondContact O-CB 3.48Å; A190-N194 PolarHBondContact O-N 3.19Å
191N91.7Very high88.6Confident29 Ų2935.5 Ų35.516%0.15519%0.189CC..Hα-helixtrans-65-40.2177.4-79.5-74000112.2V187 A188 A189 I193 I195 R235 I236V187-N191 WeakPolarHBondContact CG1-ND2 3.34Å; V187-N191 PolarHBondContact O-N 3.34Å; V187-N191 PolarHBondContact O-ND2 3.33Å; A188-N191 PolarHBondContact O-N 3.45Å; A189-N191 PolarHBondContact O-N 3Å; N191-I193 PolarHBondContact O-N 3.31Å; N191-I195 HydrophobicContact CB-CD1 4.02Å; N191-I195 WeakPolarHBondContact O-CB 3.34Å; N191-I195 WeakPolarHBondContact O-CG1 3.37Å; N191-I195 PolarHBondContact O-N 3.33Å; N191-I195 VanDerWaalsContact O-N 3.14Å; N191-R235 WeakPolarHBondContact OD1-CB 3.48Å; N191-I236 HydrophobicContact CB-CG1 4.29Å
192C94.6Very high89Confident66 Ų6634.2 Ų34.245%0.44618%0.181SC..Hα-helixtrans-62.8-17.8175.1-69.90000113.7A188 A189 P196 T232A188-C192 PolarHBondContact O-N 3.32Å; A188-C192 PolarHBondContact O-SG 2.73Å; A189-C192 PolarHBondContact O-N 3.07Å; C192-P196 WeakPolarHBondContact O-CD 3.27Å; C192-P196 VanDerWaalsContact O-CG 3.27Å; C192-P196 WeakPolarHBondContact O-CG 3.45Å; C192-T232 HydrophobicContact CB-CG2 4.44Å
193I93.3Very high89.4Confident53 Ų5336.4 Ų36.427%0.27219%0.193SC..Hα-helixtrans-101.5-50.3176.3-65163.8000110.4G155 A156 A189 A190 N191 I195 P196 L197G155-I193 VanDerWaalsContact C-CG2 3.47Å; A156-I193 HydrophobicContact CB-CG2 4.49Å; A189-I193 WeakPolarHBondContact O-CG1 3.27Å; A189-I193 PolarHBondContact O-N 2.98Å; A190-I193 PolarHBondContact O-N 3.32Å; N191-I193 PolarHBondContact O-N 3.31Å; I193-I195 PolarHBondContact O-N 3.18Å; I193-P196 WeakPolarHBondContact O-CD 3.4Å; I193-L197 HydrophobicContact CG2-CD1 3.55Å; I193-L197 HydrophobicContact CG2-CG 4.31Å; I193-L197 WeakPolarHBondContact O-CB 3.39Å; I193-L197 VanDerWaalsContact O-CG 3.23Å; I193-L197 WeakPolarHBondContact O-CG 3.4Å; I193-L197 PolarHBondContact O-N 3.01Å; I193-L197 VanDerWaalsContact O-N 3.11Å
194N90.1Very high89.9Confident15 Ų1540.8 Ų40.88%0.0821%0.213CC..Hα-helixtrans-58.4-49.8-174.4-173.8-91.2000111.7S152 A156 A190 L197 M198S152-N194 WeakPolarHBondContact OG-CA 3.34Å; S152-N194 PolarHBondContact OG-ND2 2.84Å; S152-N194 PolarHBondContact OG-O 2.94Å; A156-N194 HydrophobicContact CB-CB 3.74Å; A190-N194 WeakPolarHBondContact O-CB 3.48Å; A190-N194 PolarHBondContact O-N 3.19Å; N194-L197 PolarHBondContact O-N 2.92Å; N194-M198 VanDerWaalsContact O-CB 3.28Å; N194-M198 WeakPolarHBondContact O-CB 3.3Å; N194-M198 VanDerWaalsContact O-CG 3.23Å; N194-M198 WeakPolarHBondContact O-CG 3.38Å; N194-M198 PolarHBondContact O-N 3.35Å
195I89.6Confident90.2Very high15 Ų1546.6 Ų46.68%0.07723%0.234CC..Hα-helixtrans-69.1-50-171.9-59.9161.4000110.9N191 I193 L197 M198 R199 I228 V231 R235N191-I195 HydrophobicContact CB-CD1 4.02Å; N191-I195 WeakPolarHBondContact O-CB 3.34Å; N191-I195 WeakPolarHBondContact O-CG1 3.37Å; N191-I195 PolarHBondContact O-N 3.33Å; N191-I195 VanDerWaalsContact O-N 3.14Å; I193-I195 PolarHBondContact O-N 3.18Å; I195-L197 VanDerWaalsContact C-N 3.32Å; I195-L197 PolarHBondContact O-N 2.73Å; I195-M198 PolarHBondContact O-N 2.99Å; I195-R199 WeakPolarHBondContact O-CB 3.29Å; I195-R199 PolarHBondContact O-N 3.47Å; I195-I228 HydrophobicContact CG2-CG2 4.17Å; I195-V231 HydrophobicContact CD1-CG1 4.3Å; I195-V231 HydrophobicContact CG2-CG1 4.16Å; I195-R235 HydrophobicContact CD1-CB 4.09Å; I195-R235 HydrophobicContact CD1-CG 3.88Å
196P91.8Very high90.3Very high34 Ų3444.4 Ų44.422%0.22122%0.221CC..Hα-helixtrans-59.7-39.8174.8-26.737.5000113.3C192 I193 R199 F200 L203 I228C192-P196 WeakPolarHBondContact O-CD 3.27Å; C192-P196 VanDerWaalsContact O-CG 3.27Å; C192-P196 WeakPolarHBondContact O-CG 3.45Å; I193-P196 WeakPolarHBondContact O-CD 3.4Å; P196-R199 CarbonylContact O-C 3.52Å; P196-R199 PolarHBondContact O-N 2.86Å; P196-F200 WeakPolarHBondContact O-CA 3.43Å; P196-F200 PolarHBondContact O-N 3.47Å; P196-L203 HydrophobicContact CB-CD1 4.27Å; P196-I228 HydrophobicContact CB-CG2 4.28Å; P196-I228 HydrophobicContact CG-CG2 3.81Å
197L91.6Very high90.4Very high39 Ų3945.1 Ų45.120%0.20423%0.225CC..Hα-helixtrans-68.1-38.8177.4-70179.9000112.2Q148 L151 I193 N194 I195 R199 F200Q148-L197 VanDerWaalsContact CG-O 3.25Å; Q148-L197 WeakPolarHBondContact CG-O 3.42Å; Q148-L197 PolarHBondContact NE2-O 3.14Å; L151-L197 HydrophobicContact CD2-CD2 4.24Å; L151-L197 HydrophobicContact CG-CD1 4.39Å; L151-L197 HydrophobicContact CG-CD2 4.42Å; I193-L197 HydrophobicContact CG2-CD1 3.55Å; I193-L197 HydrophobicContact CG2-CG 4.31Å; I193-L197 WeakPolarHBondContact O-CB 3.39Å; I193-L197 VanDerWaalsContact O-CG 3.23Å; I193-L197 WeakPolarHBondContact O-CG 3.4Å; I193-L197 PolarHBondContact O-N 3.01Å; I193-L197 VanDerWaalsContact O-N 3.11Å; N194-L197 PolarHBondContact O-N 2.92Å; I195-L197 VanDerWaalsContact C-N 3.32Å; I195-L197 PolarHBondContact O-N 2.73Å; L197-R199 VanDerWaalsContact C-N 3.26Å; L197-R199 PolarHBondContact O-N 3.3Å; L197-F200 WeakPolarHBondContact O-CB 3.18Å; L197-F200 PolarHBondContact O-N 2.85Å
198M85.9Confident90.7Very high23 Ų2346.2 Ų46.211%0.11323%0.233CC..Hα-helixtrans-65.6-29.8174.7-79.9-55.6-56.500112.9N134 V144 Q148 L149 S152 N194 I195N134-M198 HydrophobicContact CB-CE 3.66Å; N134-M198 HydrophobicContact CB-SD 4.32Å; N134-M198 WeakPolarHBondContact ND2-CG 3.31Å; V144-M198 HydrophobicContact CB-CE 4.47Å; V144-M198 HydrophobicContact CG1-CE 3.91Å; V144-M198 HydrophobicContact CG2-CE 4.22Å; Q148-M198 PolarHBondContact NE2-O 2.94Å; L149-M198 HydrophobicContact CD2-CE 3.6Å; L149-M198 HydrophobicContact CD2-SD 3.71Å; L149-M198 HydrophobicContact CG-CE 4.43Å; L149-M198 HydrophobicContact CG-SD 4.46Å; S152-M198 WeakPolarHBondContact OG-CG 3.32Å; N194-M198 VanDerWaalsContact O-CB 3.28Å; N194-M198 WeakPolarHBondContact O-CB 3.3Å; N194-M198 VanDerWaalsContact O-CG 3.23Å; N194-M198 WeakPolarHBondContact O-CG 3.38Å; N194-M198 PolarHBondContact O-N 3.35Å; I195-M198 PolarHBondContact O-N 2.99Å
199R88Confident90.8Very high26 Ų2645.2 Ų45.210%0.09823%0.225CC..THydrogen-bonded Turntrans-108.621.4-178.5-61.5-17966.9178.90.7112.6I195 P196 L197 R201 E202 L203 I228 K312I195-R199 WeakPolarHBondContact O-CB 3.29Å; I195-R199 PolarHBondContact O-N 3.47Å; P196-R199 CarbonylContact O-C 3.52Å; P196-R199 PolarHBondContact O-N 2.86Å; L197-R199 VanDerWaalsContact C-N 3.26Å; L197-R199 PolarHBondContact O-N 3.3Å; R199-R201 VanDerWaalsContact C-N 3.27Å; R199-R201 PolarHBondContact O-N 3.34Å; R199-E202 IonicContact CZ-OE1 3.32Å; R199-E202 IonicContact CZ-OE2 3.62Å; R199-E202 VanDerWaalsContact CZ-OE2 3.23Å; R199-E202 VanDerWaalsContact NE-CD 3.28Å; R199-E202 IonicContact NE-OE1 2.69Å; R199-E202 PolarHBondContact NE-OE1 3.16Å; R199-E202 IonicContact NE-OE2 3.87Å; R199-E202 PolarHBondContact NE-OE2 3.26Å; R199-E202 IonicContact NH2-OE1 3.65Å; R199-E202 IonicContact NH2-OE2 3.99Å; R199-E202 PolarHBondContact NH2-OE2 3.46Å; R199-E202 WeakPolarHBondContact O-CB 3.46Å; R199-E202 PolarHBondContact O-N 3.33Å; R199-L203 PolarHBondContact O-N 2.83Å; R199-I228 HydrophobicContact CB-CD1 3.66Å; R199-I228 HydrophobicContact CB-CG1 3.92Å; R199-K312 VanDerWaalsContact CZ-O 3.29Å; R199-K312 PolarHBondContact NH1-O 2.89Å; R199-K312 PolarHBondContact NH2-O 3.42Å
200F89.5Confident90.7Very high94 Ų9447.5 Ų47.541%0.41223%0.231SC..Hα-helixtrans-57.3-37.9-175.4-175-110.3000113.1P196 L197 E202 L203 Q204P196-F200 WeakPolarHBondContact O-CA 3.43Å; P196-F200 PolarHBondContact O-N 3.47Å; L197-F200 WeakPolarHBondContact O-CB 3.18Å; L197-F200 PolarHBondContact O-N 2.85Å; F200-E202 VanDerWaalsContact C-N 3.27Å; F200-E202 PolarHBondContact O-N 2.9Å; F200-L203 WeakPolarHBondContact O-CA 3.44Å; F200-L203 WeakPolarHBondContact O-CB 3.48Å; F200-L203 PolarHBondContact O-N 2.83Å; F200-Q204 HydrophobicContact CD1-CG 4.06Å; F200-Q204 HydrophobicContact CE1-CG 3.75Å; F200-Q204 HydrophobicContact CZ-CG 3.98Å; F200-Q204 WeakPolarHBondContact O-CG 3.46Å; F200-Q204 PolarHBondContact O-N 3.47Å
201R87.6Confident90.7Very high118 Ų11848.6 Ų48.645%0.44524%0.237SC..Hα-helixtrans-59.7-36174.2-74.9-175.4167.6-177.9-6.2113.1P143 P145 R199 L203 Q204 Y205P143-R201 PolarHBondContact O-NH1 3.4Å; P145-R201 VanDerWaalsContact CG-CZ 3.47Å; R199-R201 VanDerWaalsContact C-N 3.27Å; R199-R201 PolarHBondContact O-N 3.34Å; R201-L203 VanDerWaalsContact C-N 3.3Å; R201-Q204 PolarHBondContact O-N 2.85Å; R201-Y205 HydrophobicContact CB-CD2 4.21Å; R201-Y205 HydrophobicContact CB-CE2 4.5Å; R201-Y205 HydrophobicContact CG-CE2 4.35Å; R201-Y205 VanDerWaalsContact O-CD2 3.24Å; R201-Y205 WeakPolarHBondContact O-CD2 3.27Å; R201-Y205 PolarHBondContact O-N 3.22Å
202E89.1Confident90.5Very high56 Ų5651.5 Ų51.526%0.26226%0.259SS..Hα-helixtrans-69.5-32.5176.4-58.6175.2-138.900111.3R199 F200 Q204 G206 V207 A224R199-E202 IonicContact CZ-OE1 3.32Å; R199-E202 IonicContact CZ-OE2 3.62Å; R199-E202 VanDerWaalsContact CZ-OE2 3.23Å; R199-E202 VanDerWaalsContact NE-CD 3.28Å; R199-E202 IonicContact NE-OE1 2.69Å; R199-E202 PolarHBondContact NE-OE1 3.16Å; R199-E202 IonicContact NE-OE2 3.87Å; R199-E202 PolarHBondContact NE-OE2 3.26Å; R199-E202 IonicContact NH2-OE1 3.65Å; R199-E202 IonicContact NH2-OE2 3.99Å; R199-E202 PolarHBondContact NH2-OE2 3.46Å; R199-E202 WeakPolarHBondContact O-CB 3.46Å; R199-E202 PolarHBondContact O-N 3.33Å; F200-E202 VanDerWaalsContact C-N 3.27Å; F200-E202 PolarHBondContact O-N 2.9Å; E202-Q204 VanDerWaalsContact C-N 3.34Å; E202-G206 CarbonylContact O-C 3.57Å; E202-G206 WeakPolarHBondContact O-CA 3.11Å; E202-G206 PolarHBondContact O-N 3.48Å; E202-V207 HydrophobicContact CB-CG1 3.99Å; E202-V207 HydrophobicContact CG-CG1 4.12Å; E202-V207 VanDerWaalsContact OE2-CG1 3.26Å; E202-V207 WeakPolarHBondContact OE2-CG1 3.47Å; E202-A224 HydrophobicContact CB-CB 4Å; E202-A224 WeakPolarHBondContact O-CB 3.42Å
203L91.4Very high90.1Very high49 Ų4954.8 Ų54.826%0.25727%0.272SS..Hα-helixtrans-70.3-31.4172.3-65.6173.2000112.3P196 R199 F200 R201 T221 Q225 I228P196-L203 HydrophobicContact CB-CD1 4.27Å; R199-L203 PolarHBondContact O-N 2.83Å; F200-L203 WeakPolarHBondContact O-CA 3.44Å; F200-L203 WeakPolarHBondContact O-CB 3.48Å; F200-L203 PolarHBondContact O-N 2.83Å; R201-L203 VanDerWaalsContact C-N 3.3Å; L203-T221 WeakPolarHBondContact O-CG2 3.38Å; L203-Q225 HydrophobicContact CD2-CB 4.4Å; L203-Q225 HydrophobicContact CD2-CG 3.58Å; L203-I228 HydrophobicContact CD1-CD1 3.96Å; L203-I228 HydrophobicContact CD2-CD1 3.52Å; L203-I228 HydrophobicContact CG-CD1 3.5Å
204Q90.9Very high89.7Confident96 Ų9654.2 Ų54.245%0.44928%0.28SS..Hα-helixtrans-79.7-45.1178.4-71-172.7-48.200113.3F200 R201 E202F200-Q204 HydrophobicContact CD1-CG 4.06Å; F200-Q204 HydrophobicContact CE1-CG 3.75Å; F200-Q204 HydrophobicContact CZ-CG 3.98Å; F200-Q204 WeakPolarHBondContact O-CG 3.46Å; F200-Q204 PolarHBondContact O-N 3.47Å; R201-Q204 PolarHBondContact O-N 2.85Å; E202-Q204 VanDerWaalsContact C-N 3.34Å
205Y90.2Very high89.6Confident154 Ų15457.3 Ų57.360%0.60430%0.299SS*.Hα-helixtrans-111.2-10.7-169.8-55.6-68.4000113.7R201 Q219R201-Y205 HydrophobicContact CB-CD2 4.21Å; R201-Y205 HydrophobicContact CB-CE2 4.5Å; R201-Y205 HydrophobicContact CG-CE2 4.35Å; R201-Y205 VanDerWaalsContact O-CD2 3.24Å; R201-Y205 WeakPolarHBondContact O-CD2 3.27Å; R201-Y205 PolarHBondContact O-N 3.22Å; Y205-Q219 PolarHBondContact O-OE1 3.49Å
206G90.3Very high89.7Confident10 Ų1062 Ų6210%0.10332%0.319CS..  trans84.5161.1-178.200000114.4E202 S220E202-G206 CarbonylContact O-C 3.57Å; E202-G206 WeakPolarHBondContact O-CA 3.11Å; E202-G206 PolarHBondContact O-N 3.48Å; G206-S220 CarbonylContact C-O 3.5Å; G206-S220 VanDerWaalsContact CA-C 3.4Å; G206-S220 WeakPolarHBondContact CA-O 3.21Å
207V90.7Very high89.6Confident14 Ų1461 Ų619%0.08531%0.312CS..EExtended strand (participates in β ladder)trans-92.7149.2170.2-66.60000110.4E202 L209 Q219 S220 A223 A224 F310E202-V207 HydrophobicContact CB-CG1 3.99Å; E202-V207 HydrophobicContact CG-CG1 4.12Å; E202-V207 VanDerWaalsContact OE2-CG1 3.26Å; E202-V207 WeakPolarHBondContact OE2-CG1 3.47Å; V207-L209 PolarHBondContact O-N 3.17Å; V207-Q219 CarbonylContact O-C 3.54Å; V207-Q219 WeakPolarHBondContact O-CA 3.21Å; V207-S220 PolarHBondContact N-O 3.48Å; V207-S220 PolarHBondContact O-N 3.42Å; V207-A223 HydrophobicContact CG2-CB 3.54Å; V207-A224 HydrophobicContact CG1-CB 3.84Å; V207-A224 HydrophobicContact CG2-CB 4.26Å; V207-F310 HydrophobicContact CG2-CB 4.11Å; V207-F310 HydrophobicContact CG2-CD2 4.31Å; V207-F310 HydrophobicContact CG2-CG 4.44Å
208S92.4Very high89.6Confident36 Ų3659.3 Ų59.325%0.25231%0.305SS..EExtended strand (participates in β ladder)trans-67.7130.8178.6-60.90000111.1K216 G218S208-K216 VanDerWaalsContact OG-CE 3.26Å; S208-K216 WeakPolarHBondContact OG-CE 3.34Å; S208-K216 PolarHBondContact OG-NZ 3.34Å; S208-K216 VanDerWaalsContact OG-NZ 3.11Å; S208-G218 WeakPolarHBondContact CA-O 3.19Å
209L92.6Very high89.9Confident0 Ų063 Ų630%032%0.321CS..EExtended strand (participates in β ladder)trans-99.7141.1173.2-59.8-172000110.5V207 K216 V217 G218 A223 I285 L290 L294 L308 Y309 F310V207-L209 PolarHBondContact O-N 3.17Å; L209-K216 CarbonylContact O-C 3.36Å; L209-K216 WeakPolarHBondContact O-CA 3.34Å; L209-V217 PolarHBondContact O-N 2.84Å; L209-G218 PolarHBondContact N-O 3.36Å; L209-A223 HydrophobicContact CD2-CB 3.74Å; L209-I285 HydrophobicContact CD2-CG2 4.25Å; L209-L290 HydrophobicContact CD1-CD1 3.63Å; L209-L290 HydrophobicContact CD1-CD2 3.71Å; L209-L290 HydrophobicContact CD1-CG 4.36Å; L209-L294 HydrophobicContact CD1-CD2 3.66Å; L209-L308 HydrophobicContact CB-CB 4.26Å; L209-L308 HydrophobicContact CB-CD1 4.01Å; L209-L308 HydrophobicContact CD1-CB 4.29Å; L209-L308 HydrophobicContact CD1-CD1 3.58Å; L209-L308 HydrophobicContact CG-CD1 4.45Å; L209-Y309 CarbonylContact C-O 3.44Å; L209-Y309 WeakPolarHBondContact CA-O 3.18Å; L209-F310 HydrophobicContact CD2-CB 3.8Å; L209-F310 HydrophobicContact CD2-CD1 4.37Å; L209-F310 HydrophobicContact CD2-CG 4.41Å
210F92Very high90.2Very high69 Ų6961.7 Ų61.730%0.30332%0.317SS..EExtended strand (participates in β ladder)trans-126.5147.4-179.1-58.9-89.8000111.1G214 T215 K216 L308 Y309F210-G214 WeakPolarHBondContact CD1-O 3.18Å; F210-T215 CarbonylContact C-O 3.58Å; F210-T215 WeakPolarHBondContact CA-O 3.14Å; F210-K216 HydrophobicContact CD1-CB 4.04Å; F210-K216 HydrophobicContact CE1-CB 3.85Å; F210-K216 HydrophobicContact CE1-CG 4.37Å; F210-L308 CarbonylContact O-C 3.56Å; F210-L308 WeakPolarHBondContact O-CA 3.32Å; F210-Y309 PolarHBondContact N-O 2.94Å; F210-Y309 PolarHBondContact O-N 2.87Å
211D90.5Very high90.4Very high25 Ų2559.1 Ų59.113%0.13431%0.308CS..  trans-77.4-176.6169.268.810000111.6N213 G214 T215 V217 L308D211-N213 PolarHBondContact O-N 3.14Å; D211-N213 VanDerWaalsContact OD1-C 3.3Å; D211-N213 VanDerWaalsContact OD1-CA 3.29Å; D211-N213 WeakPolarHBondContact OD1-CA 3.46Å; D211-N213 WeakPolarHBondContact OD1-CB 3.21Å; D211-N213 PolarHBondContact OD1-N 3.15Å; D211-G214 PolarHBondContact O-N 3.08Å; D211-G214 PolarHBondContact OD1-N 3.28Å; D211-T215 PolarHBondContact N-O 3.5Å; D211-T215 WeakPolarHBondContact OD1-CB 3.24Å; D211-T215 PolarHBondContact OD1-N 3.4Å; D211-T215 PolarHBondContact OD1-OG1 2.78Å; D211-T215 VanDerWaalsContact OD2-CB 3.24Å; D211-T215 WeakPolarHBondContact OD2-CB 3.43Å; D211-T215 PolarHBondContact OD2-OG1 2.83Å; D211-T215 VanDerWaalsContact OD2-OG1 3.1Å; D211-V217 HydrophobicContact CB-CG2 3.96Å; D211-L308 HydrophobicContact CB-CD2 4.46Å
212S87.7Confident90.7Very high89 Ų8955.1 Ų55.162%0.62230%0.297SS*.THydrogen-bonded Turntrans-62.8-24175.254.60000113.5G214S212-G214 VanDerWaalsContact C-N 3.35Å
213N86.6Confident90.9Very high135 Ų13552.5 Ų52.572%0.72229%0.285SS*.THydrogen-bonded Turntrans-87.8-4.5-179.9-57.8-37.2000112.6D211D211-N213 PolarHBondContact O-N 3.14Å; D211-N213 VanDerWaalsContact OD1-C 3.3Å; D211-N213 VanDerWaalsContact OD1-CA 3.29Å; D211-N213 WeakPolarHBondContact OD1-CA 3.46Å; D211-N213 WeakPolarHBondContact OD1-CB 3.21Å; D211-N213 PolarHBondContact OD1-N 3.15Å
214G85.1Confident91Very high42 Ų4250.1 Ų50.143%0.43327%0.273SS..SBendtrans82.910.9-176.300000114.1F210 D211 S212F210-G214 WeakPolarHBondContact CD1-O 3.18Å; D211-G214 PolarHBondContact O-N 3.08Å; D211-G214 PolarHBondContact OD1-N 3.28Å; S212-G214 VanDerWaalsContact C-N 3.35Å
215T88.5Confident91.1Very high79 Ų7950.8 Ų50.849%0.48528%0.276SS..  trans-77.3130.2175.2-41.40000109.7F210 D211 V217F210-T215 CarbonylContact C-O 3.58Å; F210-T215 WeakPolarHBondContact CA-O 3.14Å; D211-T215 PolarHBondContact N-O 3.5Å; D211-T215 WeakPolarHBondContact OD1-CB 3.24Å; D211-T215 PolarHBondContact OD1-N 3.4Å; D211-T215 PolarHBondContact OD1-OG1 2.78Å; D211-T215 VanDerWaalsContact OD2-CB 3.24Å; D211-T215 WeakPolarHBondContact OD2-CB 3.43Å; D211-T215 PolarHBondContact OD2-OG1 2.83Å; D211-T215 VanDerWaalsContact OD2-OG1 3.1Å; T215-V217 PolarHBondContact O-N 2.91Å
216K90.7Very high91.3Very high113 Ų11347.5 Ų47.549%0.49126%0.262SS..EExtended strand (participates in β ladder)trans-69.7117.8176.1-176.3174.5174.2172.50110.4S208 L209 F210S208-K216 VanDerWaalsContact OG-CE 3.26Å; S208-K216 WeakPolarHBondContact OG-CE 3.34Å; S208-K216 PolarHBondContact OG-NZ 3.34Å; S208-K216 VanDerWaalsContact OG-NZ 3.11Å; L209-K216 CarbonylContact O-C 3.36Å; L209-K216 WeakPolarHBondContact O-CA 3.34Å; F210-K216 HydrophobicContact CD1-CB 4.04Å; F210-K216 HydrophobicContact CE1-CB 3.85Å; F210-K216 HydrophobicContact CE1-CG 4.37Å
217V90.4Very high91.4Very high13 Ų1347 Ų478%0.07926%0.257CS..EExtended strand (participates in β ladder)trans-93.7-34.6-177.4178.20000111.9L209 D211 T215 R297 I298 L301 L308L209-V217 PolarHBondContact O-N 2.84Å; D211-V217 HydrophobicContact CB-CG2 3.96Å; T215-V217 PolarHBondContact O-N 2.91Å; V217-R297 PolarHBondContact O-NH2 2.61Å; V217-I298 HydrophobicContact CG1-CD1 4.25Å; V217-I298 HydrophobicContact CG1-CG1 3.76Å; V217-L301 HydrophobicContact CG1-CD1 4.03Å; V217-L308 HydrophobicContact CB-CD1 4.24Å; V217-L308 HydrophobicContact CB-CD2 4.11Å; V217-L308 HydrophobicContact CG1-CD1 4.01Å; V217-L308 HydrophobicContact CG1-CD2 4.28Å; V217-L308 HydrophobicContact CG2-CD2 3.76Å
218G90.9Very high91.5Very high5 Ų546.8 Ų46.85%0.05226%0.255CS..EExtended strand (participates in β ladder)trans178.6-164.4-176.600000113.5S208 L209S208-G218 WeakPolarHBondContact CA-O 3.19Å; L209-G218 PolarHBondContact N-O 3.36Å
219Q92.5Very high91.5Very high99 Ų9947.8 Ų47.846%0.46327%0.266SS..EExtended strand (participates in β ladder)trans-128.4140.6172.5-74.5174.3-27.300109.3Y205 V207Y205-Q219 PolarHBondContact O-OE1 3.49Å; V207-Q219 CarbonylContact O-C 3.54Å; V207-Q219 WeakPolarHBondContact O-CA 3.21Å
220S93.6Very high91.6Very high0 Ų049.7 Ų49.70%028%0.275CS..EExtended strand (participates in β ladder)trans-135.8130.7179.9174.30000111.9G206 V207 V222 A223 A224 L290 E291G206-S220 CarbonylContact C-O 3.5Å; G206-S220 VanDerWaalsContact CA-C 3.4Å; G206-S220 WeakPolarHBondContact CA-O 3.21Å; V207-S220 PolarHBondContact N-O 3.48Å; V207-S220 PolarHBondContact O-N 3.42Å; S220-V222 PolarHBondContact OG-N 2.71Å; S220-A223 PolarHBondContact OG-N 3.39Å; S220-A223 VanDerWaalsContact OG-N 3.16Å; S220-A224 PolarHBondContact O-N 3.46Å; S220-L290 WeakPolarHBondContact OG-CD2 3.26Å; S220-E291 VanDerWaalsContact CB-OE2 3.28Å; S220-E291 WeakPolarHBondContact CB-OE2 3.47Å; S220-E291 VanDerWaalsContact OG-CD 3.31Å; S220-E291 PolarHBondContact OG-OE1 3.09Å; S220-E291 PolarHBondContact OG-OE2 3.04Å
221T94.2Very high91.6Very high39 Ų3946.6 Ų46.624%0.23926%0.262CS..Hα-helixtrans-76.4-32.3171.4650000111.2L203 A224 Q225 E291L203-T221 WeakPolarHBondContact O-CG2 3.38Å; T221-A224 WeakPolarHBondContact O-CB 3.17Å; T221-A224 PolarHBondContact O-N 2.96Å; T221-A224 VanDerWaalsContact O-N 3.14Å; T221-Q225 WeakPolarHBondContact O-CG 3.38Å; T221-Q225 PolarHBondContact O-N 3.14Å; T221-E291 WeakPolarHBondContact CA-OE1 3.34Å; T221-E291 WeakPolarHBondContact CB-OE1 3.14Å; T221-E291 PolarHBondContact N-OE1 3.31Å; T221-E291 PolarHBondContact OG1-OE1 3.47Å
222V94.6Very high91.6Very high35 Ų3546.1 Ų46.121%0.21226%0.26CS..Hα-helixtrans-63.1-43.9174.3178.60000110.8S220 A224 Q225 R226 I285 E289 E291S220-V222 PolarHBondContact OG-N 2.71Å; V222-A224 VanDerWaalsContact C-N 3.29Å; V222-A224 PolarHBondContact O-N 3.43Å; V222-Q225 PolarHBondContact O-N 3.33Å; V222-R226 PolarHBondContact O-N 2.92Å; V222-I285 HydrophobicContact CG1-CD1 4.22Å; V222-E289 WeakPolarHBondContact CG1-O 3.35Å; V222-E291 HydrophobicContact CG2-CG 4.17Å; V222-E291 PolarHBondContact N-OE1 3.01Å
223A93.1Very high91.9Very high0 Ų045.9 Ų45.90%025%0.251CS..Hα-helixtrans-61.9-37.9173.600000111.8V207 L209 S220 R226 A227 I285 F310V207-A223 HydrophobicContact CG2-CB 3.54Å; L209-A223 HydrophobicContact CD2-CB 3.74Å; S220-A223 PolarHBondContact OG-N 3.39Å; S220-A223 VanDerWaalsContact OG-N 3.16Å; A223-R226 PolarHBondContact O-N 2.98Å; A223-A227 WeakPolarHBondContact O-CB 3.34Å; A223-A227 PolarHBondContact O-N 3.44Å; A223-I285 HydrophobicContact CB-CD1 4.28Å; A223-F310 HydrophobicContact CB-CB 4.5Å; A223-F310 HydrophobicContact CB-CD1 4.07Å; A223-F310 HydrophobicContact CB-CD2 4.29Å; A223-F310 HydrophobicContact CB-CE1 4.38Å; A223-F310 HydrophobicContact CB-CG 4.03Å
224A92.6Very high92.2Very high0 Ų039.6 Ų39.60%022%0.218CC..Hα-helixtrans-64-45.3175.900000111.9E202 V207 S220 T221 V222 R226 A227 I228E202-A224 HydrophobicContact CB-CB 4Å; E202-A224 WeakPolarHBondContact O-CB 3.42Å; V207-A224 HydrophobicContact CG1-CB 3.84Å; V207-A224 HydrophobicContact CG2-CB 4.26Å; S220-A224 PolarHBondContact O-N 3.46Å; T221-A224 WeakPolarHBondContact O-CB 3.17Å; T221-A224 PolarHBondContact O-N 2.96Å; T221-A224 VanDerWaalsContact O-N 3.14Å; V222-A224 VanDerWaalsContact C-N 3.29Å; V222-A224 PolarHBondContact O-N 3.43Å; A224-R226 VanDerWaalsContact C-N 3.35Å; A224-R226 PolarHBondContact O-N 3.48Å; A224-A227 WeakPolarHBondContact O-CB 3.4Å; A224-A227 PolarHBondContact O-N 3.07Å; A224-I228 WeakPolarHBondContact O-CB 3.19Å; A224-I228 WeakPolarHBondContact O-CD1 3.34Å; A224-I228 VanDerWaalsContact O-CG1 3.31Å; A224-I228 WeakPolarHBondContact O-CG1 3.24Å; A224-I228 PolarHBondContact O-N 2.86Å
225Q94.2Very high92.4Very high110 Ų11039.9 Ų39.951%0.51421%0.206SC..Hα-helixtrans-58.7-46.1176.4-71.4173.712.200111.4L203 T221 V222 I228 A229L203-Q225 HydrophobicContact CD2-CB 4.4Å; L203-Q225 HydrophobicContact CD2-CG 3.58Å; T221-Q225 WeakPolarHBondContact O-CG 3.38Å; T221-Q225 PolarHBondContact O-N 3.14Å; V222-Q225 PolarHBondContact O-N 3.33Å; Q225-I228 PolarHBondContact O-N 2.84Å; Q225-A229 WeakPolarHBondContact O-CB 3.5Å; Q225-A229 PolarHBondContact O-N 2.85Å
226R93.6Very high92.6Very high85 Ų8537.9 Ų37.932%0.32119%0.192SC..Hα-helixtrans-62.7-44.6175.9-72.5-172.4178-165.2-2.6112.1V222 A223 A224 I228 A229 M230 E289V222-R226 PolarHBondContact O-N 2.92Å; A223-R226 PolarHBondContact O-N 2.98Å; A224-R226 VanDerWaalsContact C-N 3.35Å; A224-R226 PolarHBondContact O-N 3.48Å; R226-I228 PolarHBondContact O-N 3.32Å; R226-A229 PolarHBondContact O-N 3.44Å; R226-M230 HydrophobicContact CB-CE 4.08Å; R226-M230 VanDerWaalsContact O-CG 3.3Å; R226-M230 WeakPolarHBondContact O-CG 3.36Å; R226-M230 PolarHBondContact O-N 2.9Å; R226-E289 IonicContact CZ-OE1 3.52Å; R226-E289 IonicContact CZ-OE2 3.1Å; R226-E289 VanDerWaalsContact CZ-OE2 3.27Å; R226-E289 VanDerWaalsContact NH1-CD 3.3Å; R226-E289 IonicContact NH1-OE1 2.86Å; R226-E289 PolarHBondContact NH1-OE1 2.79Å; R226-E289 IonicContact NH1-OE2 2.64Å; R226-E289 PolarHBondContact NH1-OE2 3.44Å; R226-E289 IonicContact NH2-OE1 3.6Å; R226-E289 PolarHBondContact NH2-OE1 3.24Å; R226-E289 IonicContact NH2-OE2 2.71Å; R226-E289 PolarHBondContact NH2-OE2 2.88Å
227A92.1Very high92.6Very high0 Ų035.7 Ų35.70%019%0.186CC..Hα-helixtrans-57.2-48.6176.300000111.6A223 A224 M230 V231 F310A223-A227 WeakPolarHBondContact O-CB 3.34Å; A223-A227 PolarHBondContact O-N 3.44Å; A224-A227 WeakPolarHBondContact O-CB 3.4Å; A224-A227 PolarHBondContact O-N 3.07Å; A227-M230 PolarHBondContact O-N 3.18Å; A227-V231 WeakPolarHBondContact O-CG2 3.41Å; A227-V231 PolarHBondContact O-N 3.13Å; A227-F310 HydrophobicContact CB-CD2 4.27Å; A227-F310 HydrophobicContact CB-CE2 3.85Å
228I92.6Very high92.6Very high8 Ų835.6 Ų35.64%0.04118%0.184CC..Hα-helixtrans-64.9-40.3-180-72.3163.8000111.3I195 P196 R199 L203 A224 Q225 R226 V231 T232I195-I228 HydrophobicContact CG2-CG2 4.17Å; P196-I228 HydrophobicContact CB-CG2 4.28Å; P196-I228 HydrophobicContact CG-CG2 3.81Å; R199-I228 HydrophobicContact CB-CD1 3.66Å; R199-I228 HydrophobicContact CB-CG1 3.92Å; L203-I228 HydrophobicContact CD1-CD1 3.96Å; L203-I228 HydrophobicContact CD2-CD1 3.52Å; L203-I228 HydrophobicContact CG-CD1 3.5Å; A224-I228 WeakPolarHBondContact O-CB 3.19Å; A224-I228 WeakPolarHBondContact O-CD1 3.34Å; A224-I228 VanDerWaalsContact O-CG1 3.31Å; A224-I228 WeakPolarHBondContact O-CG1 3.24Å; A224-I228 PolarHBondContact O-N 2.86Å; Q225-I228 PolarHBondContact O-N 2.84Å; R226-I228 PolarHBondContact O-N 3.32Å; I228-V231 PolarHBondContact O-N 3Å; I228-T232 WeakPolarHBondContact O-CB 3.43Å; I228-T232 PolarHBondContact O-N 3.12Å; I228-T232 PolarHBondContact O-OG1 3.28Å
229A94.3Very high92.3Very high57 Ų5736 Ų3647%0.47119%0.187SC..Hα-helixtrans-63.3-45.2175.900000111.8Q225 R226 V231 T232 L233Q225-A229 WeakPolarHBondContact O-CB 3.5Å; Q225-A229 PolarHBondContact O-N 2.85Å; R226-A229 PolarHBondContact O-N 3.44Å; A229-V231 PolarHBondContact O-N 3.27Å; A229-T232 PolarHBondContact O-N 3.3Å; A229-L233 WeakPolarHBondContact O-CB 3.28Å; A229-L233 PolarHBondContact O-N 3.35Å
230M93Very high92Very high40 Ų4034.2 Ų34.220%0.19718%0.182CC..Hα-helixtrans-61-43.6176.3-70.2178-145.600112.1R226 A227 S234 F279 F310 K312R226-M230 HydrophobicContact CB-CE 4.08Å; R226-M230 VanDerWaalsContact O-CG 3.3Å; R226-M230 WeakPolarHBondContact O-CG 3.36Å; R226-M230 PolarHBondContact O-N 2.9Å; A227-M230 PolarHBondContact O-N 3.18Å; M230-S234 VanDerWaalsContact O-CB 3.3Å; M230-S234 WeakPolarHBondContact O-CB 3.15Å; M230-S234 PolarHBondContact O-N 2.9Å; M230-F279 HydrophobicContact CB-CB 4.36Å; M230-F279 HydrophobicContact CB-CD1 4.3Å; M230-F279 HydrophobicContact CB-CD2 3.71Å; M230-F279 HydrophobicContact CB-CE2 4.04Å; M230-F279 HydrophobicContact CB-CG 3.86Å; M230-F279 HydrophobicContact CB-CZ 4.48Å; M230-F279 HydrophobicContact CG-CD1 3.91Å; M230-F279 HydrophobicContact CG-CD2 4.22Å; M230-F279 HydrophobicContact CG-CE1 4.13Å; M230-F279 HydrophobicContact CG-CE2 4.42Å; M230-F279 HydrophobicContact CG-CG 3.96Å; M230-F279 HydrophobicContact CG-CZ 4.38Å; M230-F279 WeakPolarHBondContact O-CE2 3.31Å; M230-F279 HydrophobicContact SD-CB 4.1Å; M230-F279 HydrophobicContact SD-CD1 3.94Å; M230-F279 HydrophobicContact SD-CG 4.03Å; M230-F310 HydrophobicContact CE-CZ 4.34Å; M230-K312 HydrophobicContact CB-CD 3.86Å; M230-K312 HydrophobicContact CB-CG 4.32Å; M230-K312 HydrophobicContact SD-CD 4.02Å; M230-K312 HydrophobicContact SD-CG 4.45Å
231V91.7Very high91.5Very high5 Ų536.2 Ų36.23%0.0320%0.195CC..Hα-helixtrans-67.2-44177.9175.50000110.9I195 A227 I228 A229 L233 S234 R235 K312I195-V231 HydrophobicContact CD1-CG1 4.3Å; I195-V231 HydrophobicContact CG2-CG1 4.16Å; A227-V231 WeakPolarHBondContact O-CG2 3.41Å; A227-V231 PolarHBondContact O-N 3.13Å; I228-V231 PolarHBondContact O-N 3Å; A229-V231 PolarHBondContact O-N 3.27Å; V231-L233 PolarHBondContact O-N 3.22Å; V231-S234 WeakPolarHBondContact O-CB 3.41Å; V231-S234 PolarHBondContact O-N 2.84Å; V231-R235 HydrophobicContact CG1-CG 4.26Å; V231-R235 VanDerWaalsContact O-CG 3.26Å; V231-R235 WeakPolarHBondContact O-CG 3.47Å; V231-R235 PolarHBondContact O-N 3.34Å; V231-K312 HydrophobicContact CG2-CD 4.33Å; V231-K312 HydrophobicContact CG2-CG 3.88Å
232T92.6Very high90.6Very high15 Ų1534.4 Ų34.49%0.09219%0.185CC..Hα-helixtrans-57.4-49.5176.1-57.70000111.3C192 I228 A229 S234 R235 I236C192-T232 HydrophobicContact CB-CG2 4.44Å; I228-T232 WeakPolarHBondContact O-CB 3.43Å; I228-T232 PolarHBondContact O-N 3.12Å; I228-T232 PolarHBondContact O-OG1 3.28Å; A229-T232 PolarHBondContact O-N 3.3Å; T232-S234 PolarHBondContact O-N 3.19Å; T232-R235 PolarHBondContact O-N 2.96Å; T232-I236 HydrophobicContact CG2-CD1 3.92Å; T232-I236 VanDerWaalsContact O-CG1 3.28Å; T232-I236 WeakPolarHBondContact O-CG1 3.5Å; T232-I236 PolarHBondContact O-N 3.44Å
233L93.7Very high89.7Confident83 Ų8333 Ų3344%0.43518%0.176SC..Hα-helixtrans-60.7-46.2177.7178.758.8000111.8A229 V231 R235 I236 L237 F279A229-L233 WeakPolarHBondContact O-CB 3.28Å; A229-L233 PolarHBondContact O-N 3.35Å; V231-L233 PolarHBondContact O-N 3.22Å; L233-R235 VanDerWaalsContact C-N 3.33Å; L233-R235 PolarHBondContact O-N 3.09Å; L233-I236 PolarHBondContact O-N 3.33Å; L233-L237 HydrophobicContact CD1-CD1 4.13Å; L233-L237 HydrophobicContact CD1-CG 4.14Å; L233-L237 HydrophobicContact CG-CD1 4.09Å; L233-L237 HydrophobicContact CG-CG 4.49Å; L233-L237 WeakPolarHBondContact O-CG 3.37Å; L233-L237 PolarHBondContact O-N 3.29Å; L233-F279 HydrophobicContact CD2-CE2 4.37Å; L233-F279 HydrophobicContact CD2-CZ 3.99Å
234S92.1Very high88.6Confident4 Ų434.6 Ų34.63%0.02819%0.187CC..Hα-helixtrans-56.3-46.3176.7178.30000111.6M230 V231 T232 I236 L237 M238 C275M230-S234 VanDerWaalsContact O-CB 3.3Å; M230-S234 WeakPolarHBondContact O-CB 3.15Å; M230-S234 PolarHBondContact O-N 2.9Å; V231-S234 WeakPolarHBondContact O-CB 3.41Å; V231-S234 PolarHBondContact O-N 2.84Å; T232-S234 PolarHBondContact O-N 3.19Å; S234-I236 PolarHBondContact O-N 3.48Å; S234-L237 PolarHBondContact O-N 3.18Å; S234-M238 WeakPolarHBondContact O-CG 3.38Å; S234-M238 PolarHBondContact O-N 3.31Å; S234-M238 VanDerWaalsContact O-N 3.08Å; S234-M238 WeakPolarHBondContact OG-CE 3.29Å; S234-C275 PolarHBondContact OG-O 2.87Å
235R90.1Very high87.2Confident47 Ų4741.6 Ų41.618%0.17721%0.214CC..Hα-helixtrans-66.3-36.4179.5-67.7-73.5179.3-177.5-0.6113N191 I195 V231 T232 L233 L314N191-R235 WeakPolarHBondContact OD1-CB 3.48Å; I195-R235 HydrophobicContact CD1-CB 4.09Å; I195-R235 HydrophobicContact CD1-CG 3.88Å; V231-R235 HydrophobicContact CG1-CG 4.26Å; V231-R235 VanDerWaalsContact O-CG 3.26Å; V231-R235 WeakPolarHBondContact O-CG 3.47Å; V231-R235 PolarHBondContact O-N 3.34Å; T232-R235 PolarHBondContact O-N 2.96Å; L233-R235 VanDerWaalsContact C-N 3.33Å; L233-R235 PolarHBondContact O-N 3.09Å; R235-L314 PolarHBondContact NH2-OXT 3.03Å
236I91.1Very high85.7Confident37 Ų3741.9 Ų41.919%0.1922%0.217CC..Hα-helixtrans-64.4-47.6173.7-67.3168.9000110.3A188 N191 T232 L233 S234 M238 A239A188-I236 HydrophobicContact CB-CD1 4.05Å; A188-I236 HydrophobicContact CB-CG1 3.96Å; A188-I236 HydrophobicContact CB-CG2 4.05Å; N191-I236 HydrophobicContact CB-CG1 4.29Å; T232-I236 HydrophobicContact CG2-CD1 3.92Å; T232-I236 VanDerWaalsContact O-CG1 3.28Å; T232-I236 WeakPolarHBondContact O-CG1 3.5Å; T232-I236 PolarHBondContact O-N 3.44Å; L233-I236 PolarHBondContact O-N 3.33Å; S234-I236 PolarHBondContact O-N 3.48Å; I236-M238 VanDerWaalsContact C-N 3.26Å; I236-M238 PolarHBondContact O-N 3.1Å; I236-A239 PolarHBondContact O-N 3.22Å; I236-A239 VanDerWaalsContact O-N 3.12Å
237L91.7Very high84.3Confident68 Ų6837.9 Ų37.936%0.35620%0.202SC..Hα-helixtrans-63-30.8-179-69.2175.8000112.7L233 S234 A239 V240 P241 L278L233-L237 HydrophobicContact CD1-CD1 4.13Å; L233-L237 HydrophobicContact CD1-CG 4.14Å; L233-L237 HydrophobicContact CG-CD1 4.09Å; L233-L237 HydrophobicContact CG-CG 4.49Å; L233-L237 WeakPolarHBondContact O-CG 3.37Å; L233-L237 PolarHBondContact O-N 3.29Å; S234-L237 PolarHBondContact O-N 3.18Å; L237-A239 PolarHBondContact O-N 3.15Å; L237-V240 HydrophobicContact CD2-CG2 4.5Å; L237-V240 PolarHBondContact O-N 3.02Å; L237-P241 VanDerWaalsContact O-CD 3.28Å; L237-P241 WeakPolarHBondContact O-CD 3.47Å; L237-L278 HydrophobicContact CD1-CD1 3.73Å
238M89.5Confident83Confident11 Ų1139.3 Ų39.35%0.05421%0.21CC..Hα-helixtrans-58.7-33.9174.5-70.3173.2-162.200113.3S234 I236 T272 C275 C276S234-M238 WeakPolarHBondContact O-CG 3.38Å; S234-M238 PolarHBondContact O-N 3.31Å; S234-M238 VanDerWaalsContact O-N 3.08Å; S234-M238 WeakPolarHBondContact OG-CE 3.29Å; I236-M238 VanDerWaalsContact C-N 3.26Å; I236-M238 PolarHBondContact O-N 3.1Å; M238-T272 HydrophobicContact SD-CG2 4.06Å; M238-C275 HydrophobicContact CE-CB 3.78Å; M238-C275 HydrophobicContact CG-CB 3.38Å; M238-C275 HydrophobicContact SD-CB 4.49Å; M238-C276 HydrophobicContact CE-CB 4.26Å; M238-C276 WeakPolarHBondContact CE-SG 3.1Å
239A85.2Confident81.7Confident12 Ų1242.9 Ų42.910%0.09923%0.229CC..Hα-helixtrans-79.3-21.8-178.100000113L184 V187 I236 L237 G242 M243L184-A239 HydrophobicContact CD1-CB 3.92Å; V187-A239 HydrophobicContact CG1-CB 4.11Å; I236-A239 PolarHBondContact O-N 3.22Å; I236-A239 VanDerWaalsContact O-N 3.12Å; L237-A239 PolarHBondContact O-N 3.15Å; A239-G242 PolarHBondContact O-N 3.21Å; A239-M243 WeakPolarHBondContact O-CG 3.46Å; A239-M243 PolarHBondContact O-N 2.83Å
240V86.6Confident80.3Confident62 Ų6242.2 Ų42.238%0.37622%0.217SC..THydrogen-bonded Turntrans-61.1-49.2-172.2175.80000113L184 L237 G242 M243 S244L184-V240 HydrophobicContact CD1-CG2 4.07Å; L184-V240 HydrophobicContact CD2-CG2 4.32Å; L237-V240 HydrophobicContact CD2-CG2 4.5Å; L237-V240 PolarHBondContact O-N 3.02Å; V240-G242 PolarHBondContact O-N 3.49Å; V240-M243 CarbonylContact O-C 3.48Å; V240-M243 PolarHBondContact O-N 3.3Å; V240-S244 PolarHBondContact O-N 2.95Å
241P82.9Confident78.6Confident42 Ų4245.1 Ų45.127%0.27324%0.239SC..G310 helixtrans-64.3-39.5-176.3-2537000113L237 M243 S244 F267 A271L237-P241 VanDerWaalsContact O-CD 3.28Å; L237-P241 WeakPolarHBondContact O-CD 3.47Å; P241-M243 VanDerWaalsContact C-N 3.26Å; P241-M243 PolarHBondContact O-N 2.93Å; P241-S244 VanDerWaalsContact O-CB 3.28Å; P241-S244 WeakPolarHBondContact O-CB 3.5Å; P241-S244 PolarHBondContact O-N 3.32Å; P241-S244 PolarHBondContact O-OG 3.15Å; P241-F267 HydrophobicContact CB-CB 4.14Å; P241-F267 HydrophobicContact CB-CD1 3.96Å; P241-F267 HydrophobicContact CB-CG 4.22Å; P241-A271 HydrophobicContact CB-CB 4.49Å; P241-A271 HydrophobicContact CG-CB 3.91Å
242G75.9Confident77.1Confident1 Ų151.9 Ų51.91%0.0127%0.265CS..G310 helixtrans-67.7-25.217900000113.4M111 A239 V240 V247M111-G242 WeakPolarHBondContact CE-O 3.4Å; A239-G242 PolarHBondContact O-N 3.21Å; V240-G242 PolarHBondContact O-N 3.49Å; G242-V247 WeakPolarHBondContact O-CB 3.38Å; G242-V247 WeakPolarHBondContact O-CG1 3.22Å; G242-V247 WeakPolarHBondContact O-CG2 3.46Å
243M74.4Confident75.5Confident6 Ų661.7 Ų61.73%0.0330%0.3CS..G310 helixtrans-101.414.2177.4-61.5-177177.800112.8T107 M110 M111 P183 L184 V187 A239 V240 P241 L248T107-M243 HydrophobicContact CG2-CE 3.66Å; T107-M243 HydrophobicContact CG2-CG 4.23Å; M110-M243 HydrophobicContact CE-CE 3.55Å; M111-M243 HydrophobicContact SD-CB 4.34Å; M111-M243 HydrophobicContact SD-CG 3.93Å; P183-M243 HydrophobicContact CB-CE 4.1Å; P183-M243 HydrophobicContact CB-SD 4.15Å; L184-M243 WeakPolarHBondContact CA-SD 3.33Å; L184-M243 HydrophobicContact CB-SD 3.59Å; L184-M243 VanDerWaalsContact CB-SD 3.59Å; L184-M243 HydrophobicContact CD1-SD 3.92Å; L184-M243 HydrophobicContact CG-SD 4.36Å; L184-M243 PolarHBondContact N-SD 2.92Å; V187-M243 HydrophobicContact CG2-CE 4.02Å; A239-M243 WeakPolarHBondContact O-CG 3.46Å; A239-M243 PolarHBondContact O-N 2.83Å; V240-M243 CarbonylContact O-C 3.48Å; V240-M243 PolarHBondContact O-N 3.3Å; P241-M243 VanDerWaalsContact C-N 3.26Å; P241-M243 PolarHBondContact O-N 2.93Å; M243-L248 WeakPolarHBondContact O-CD1 3.16Å
244S70.1Confident73.8Confident34 Ų3467.9 Ų67.924%0.23832%0.324CS..SBendtrans-74.6160177.2720000112.1V240 P241 I246 V247 L248V240-S244 PolarHBondContact O-N 2.95Å; P241-S244 VanDerWaalsContact O-CB 3.28Å; P241-S244 WeakPolarHBondContact O-CB 3.5Å; P241-S244 PolarHBondContact O-N 3.32Å; P241-S244 PolarHBondContact O-OG 3.15Å; S244-I246 PolarHBondContact O-N 2.92Å; S244-V247 PolarHBondContact O-N 3.46Å; S244-L248 WeakPolarHBondContact O-CG 3.22Å; S244-L248 PolarHBondContact O-N 3.45Å
245R63.7Low72.6Confident147 Ų14772.8 Ų72.856%0.55535%0.348SS*.Hα-helixtrans-53.1-31.2179.9-66.4-175.773.2167.54.6113.3L177 V247 L248 D249L177-R245 HydrophobicContact CD2-CG 4.17Å; L177-R245 VanDerWaalsContact CD2-NE 3.34Å; R245-V247 PolarHBondContact O-N 3.48Å; R245-L248 PolarHBondContact O-N 2.95Å; R245-D249 PolarHBondContact O-N 3.19Å
246I63.3Low71.9Confident116 Ų11672.9 Ų72.960%0.59535%0.352SS*.Hα-helixtrans-59-35.6-179.7-58.8174.2000111.4S244 M263 F267S244-I246 PolarHBondContact O-N 2.92Å; I246-M263 HydrophobicContact CG2-CE 4.39Å; I246-F267 HydrophobicContact CG2-CZ 4.3Å
247V64.7Low71.3Confident0 Ų072.2 Ų72.20%035%0.352CS..Hα-helixtrans-84.8-23.1179.3-177.70000111.9M111 G242 S244 R245 Q260 M263 V264 F267M111-V247 HydrophobicContact CE-CG1 3.74Å; G242-V247 WeakPolarHBondContact O-CB 3.38Å; G242-V247 WeakPolarHBondContact O-CG1 3.22Å; G242-V247 WeakPolarHBondContact O-CG2 3.46Å; S244-V247 PolarHBondContact O-N 3.46Å; R245-V247 PolarHBondContact O-N 3.48Å; V247-Q260 HydrophobicContact CG1-CG 3.93Å; V247-M263 HydrophobicContact CG1-CB 4.18Å; V247-M263 HydrophobicContact CG2-CB 4.35Å; V247-V264 HydrophobicContact CG1-CG2 3.89Å; V247-F267 HydrophobicContact CG2-CD2 3.52Å; V247-F267 HydrophobicContact CG2-CE2 3.4Å
248L62.8Low70.9Confident30 Ų3072.7 Ų72.716%0.15736%0.359CS..Hα-helixtrans-88.4-22.5-170.3-67.3164.1000114M111 R180 M243 S244 R245M111-L248 HydrophobicContact SD-CD2 3.89Å; R180-L248 HydrophobicContact CB-CD1 3.95Å; R180-L248 HydrophobicContact CG-CD1 4.45Å; R180-L248 HydrophobicContact CG-CD2 4.48Å; M243-L248 WeakPolarHBondContact O-CD1 3.16Å; S244-L248 WeakPolarHBondContact O-CG 3.22Å; S244-L248 PolarHBondContact O-N 3.45Å; R245-L248 PolarHBondContact O-N 2.95Å
249D66.4Low70.6Confident84 Ų8474 Ų7445%0.44937%0.366SS..  trans-103.938-174.2-69.9-32.3000113.4R180 R245R180-D249 IonicContact CZ-OD1 3.08Å; R180-D249 IonicContact NH1-OD1 3.66Å; R180-D249 PolarHBondContact NH1-OD1 3.43Å; R180-D249 IonicContact NH1-OD2 2.72Å; R180-D249 IonicContact NH2-OD1 3.34Å; R180-D249 PolarHBondContact NH2-OD1 3.3Å; R245-D249 PolarHBondContact O-N 3.19Å
250L64.7Low70.4Confident42 Ų4274 Ų7422%0.2236%0.364CS..  trans-71.5130.9178.5-69.7168.9000111.9Y252 I259 Q260L250-Y252 VanDerWaalsContact C-N 3.31Å; L250-Y252 PolarHBondContact O-N 3.04Å; L250-I259 HydrophobicContact CD1-CB 4.08Å; L250-I259 HydrophobicContact CD1-CG2 3.49Å; L250-I259 VanDerWaalsContact CD1-CG2 3.49Å; L250-I259 HydrophobicContact CD2-CG2 3.98Å; L250-I259 HydrophobicContact CG-CG2 4.35Å; L250-Q260 HydrophobicContact CD1-CB 4.37Å
251P57Low70.4Confident101 Ų10172 Ų7266%0.65635%0.351SS*.SBendtrans-78-7.8-173.128.7-33.9000114.7R253P251-R253 PolarHBondContact O-N 3.35Å
252Y60.9Low70.5Confident147 Ų14775.5 Ų75.558%0.57637%0.368SS*.  trans-103.878.9-168-58.5-69.6000113.7L250 F254 M255 N256 I259L250-Y252 VanDerWaalsContact C-N 3.31Å; L250-Y252 PolarHBondContact O-N 3.04Å; Y252-F254 PolarHBondContact O-N 3.45Å; Y252-M255 CarbonylContact O-C 3.54Å; Y252-M255 PolarHBondContact O-N 3.43Å; Y252-N256 PolarHBondContact O-N 3.35Å; Y252-N256 VanDerWaalsContact O-N 3.12Å; Y252-N256 PolarHBondContact O-OD1 2.9Å; Y252-I259 HydrophobicContact CD2-CD1 4.12Å
253R58.8Low71Confident221 Ų22178.1 Ų78.183%0.83438%0.38SS*.G310 helixtrans-44.5-39.3-175.6-77.6-177.2164.5-175.8-4.1116P251 N256P251-R253 PolarHBondContact O-N 3.35Å; R253-N256 WeakPolarHBondContact CA-OD1 3.23Å; R253-N256 PolarHBondContact N-OD1 2.93Å; R253-N256 PolarHBondContact O-ND2 3.01Å
254F57Low71.5Confident213 Ų21377.9 Ų77.993%0.93438%0.379SS*.G310 helixtrans-81.4-21.1-178.3-74.6-78.9000114.6Y252Y252-F254 PolarHBondContact O-N 3.45Å
255M68.4Low72.3Confident108 Ų10876.5 Ų76.553%0.53237%0.37SS..G310 helixtrans-107.613.4177.7-64.6-179.869.200112Y252 A257 P258 I259Y252-M255 CarbonylContact O-C 3.54Å; Y252-M255 PolarHBondContact O-N 3.43Å; M255-A257 VanDerWaalsContact C-N 3.34Å; M255-A257 PolarHBondContact O-N 2.89Å; M255-P258 WeakPolarHBondContact O-CD 3.32Å; M255-I259 HydrophobicContact CB-CD1 3.44Å; M255-I259 VanDerWaalsContact CB-CD1 3.44Å; M255-I259 HydrophobicContact CB-CG1 3.91Å; M255-I259 HydrophobicContact CE-CD1 4.18Å; M255-I259 HydrophobicContact CE-CG1 4.34Å; M255-I259 WeakPolarHBondContact O-CB 3.4Å; M255-I259 VanDerWaalsContact O-CG1 3.25Å; M255-I259 WeakPolarHBondContact O-CG1 3.39Å; M255-I259 PolarHBondContact O-N 2.93Å; M255-I259 HydrophobicContact SD-CD1 4.43Å
256N74.8Confident73.5Confident49 Ų4975 Ų7526%0.26237%0.368SS..Hα-helixtrans-53.1-49.6-177.1-82.1-4.1000111.5T112 Y252 R253 Q260T112-N256 HydrophobicContact CG2-CB 4.22Å; Y252-N256 PolarHBondContact O-N 3.35Å; Y252-N256 VanDerWaalsContact O-N 3.12Å; Y252-N256 PolarHBondContact O-OD1 2.9Å; R253-N256 WeakPolarHBondContact CA-OD1 3.23Å; R253-N256 PolarHBondContact N-OD1 2.93Å; R253-N256 PolarHBondContact O-ND2 3.01Å; N256-Q260 WeakPolarHBondContact O-CB 3.39Å; N256-Q260 PolarHBondContact O-N 2.96Å
257A78.3Confident74.7Confident22 Ų2271.7 Ų71.718%0.18235%0.349CS..Hα-helixtrans-63-58.3-177.900000113.4M109 T112 F113 M255 I259 Q260 V261M109-A257 HydrophobicContact SD-CB 4.19Å; T112-A257 HydrophobicContact CG2-CB 3.71Å; T112-A257 WeakPolarHBondContact OG1-CA 3.07Å; F113-A257 HydrophobicContact CE2-CB 4.35Å; M255-A257 VanDerWaalsContact C-N 3.34Å; M255-A257 PolarHBondContact O-N 2.89Å; A257-I259 PolarHBondContact O-N 3.45Å; A257-Q260 PolarHBondContact O-N 2.96Å; A257-V261 WeakPolarHBondContact O-CB 3.22Å; A257-V261 VanDerWaalsContact O-CG2 3.28Å; A257-V261 WeakPolarHBondContact O-CG2 3.48Å; A257-V261 PolarHBondContact O-N 2.9Å
258P83.7Confident75.8Confident78 Ų7872.2 Ų72.251%0.50635%0.352SS..Hα-helixtrans-60.6-43.4-178.5-25.735.4000113.1M255 L262M255-P258 WeakPolarHBondContact O-CD 3.32Å; P258-L262 WeakPolarHBondContact O-CB 3.25Å; P258-L262 VanDerWaalsContact O-CG 3.23Å; P258-L262 WeakPolarHBondContact O-CG 3.2Å; P258-L262 PolarHBondContact O-N 2.83Å
259I82.4Confident77Confident38 Ų3873 Ų7320%0.19536%0.358CS..Hα-helixtrans-67.1-41.7-180-60.8172.7000110.1L250 Y252 M255 A257 L262 M263L250-I259 HydrophobicContact CD1-CB 4.08Å; L250-I259 HydrophobicContact CD1-CG2 3.49Å; L250-I259 VanDerWaalsContact CD1-CG2 3.49Å; L250-I259 HydrophobicContact CD2-CG2 3.98Å; L250-I259 HydrophobicContact CG-CG2 4.35Å; Y252-I259 HydrophobicContact CD2-CD1 4.12Å; M255-I259 HydrophobicContact CB-CD1 3.44Å; M255-I259 VanDerWaalsContact CB-CD1 3.44Å; M255-I259 HydrophobicContact CB-CG1 3.91Å; M255-I259 HydrophobicContact CE-CD1 4.18Å; M255-I259 HydrophobicContact CE-CG1 4.34Å; M255-I259 WeakPolarHBondContact O-CB 3.4Å; M255-I259 VanDerWaalsContact O-CG1 3.25Å; M255-I259 WeakPolarHBondContact O-CG1 3.39Å; M255-I259 PolarHBondContact O-N 2.93Å; M255-I259 HydrophobicContact SD-CD1 4.43Å; A257-I259 PolarHBondContact O-N 3.45Å; I259-L262 PolarHBondContact O-N 3.36Å; I259-M263 HydrophobicContact CG2-CG 4.09Å; I259-M263 WeakPolarHBondContact O-CB 3.13Å; I259-M263 VanDerWaalsContact O-CG 3.23Å; I259-M263 WeakPolarHBondContact O-CG 3.29Å; I259-M263 PolarHBondContact O-N 3.3Å
260Q81.3Confident78.1Confident14 Ų1473.4 Ų73.47%0.06536%0.356CS..Hα-helixtrans-66.1-43.9179.5-168.4164.142.400111.4G108 M111 T112 V247 L250 N256 A257 L262 M263 V264G108-Q260 PolarHBondContact O-OE1 2.76Å; M111-Q260 HydrophobicContact CB-CG 4.37Å; M111-Q260 VanDerWaalsContact CB-NE2 3.34Å; M111-Q260 HydrophobicContact CE-CG 3.78Å; T112-Q260 PolarHBondContact OG1-OE1 2.79Å; V247-Q260 HydrophobicContact CG1-CG 3.93Å; L250-Q260 HydrophobicContact CD1-CB 4.37Å; N256-Q260 WeakPolarHBondContact O-CB 3.39Å; N256-Q260 PolarHBondContact O-N 2.96Å; A257-Q260 PolarHBondContact O-N 2.96Å; Q260-L262 VanDerWaalsContact C-N 3.33Å; Q260-L262 PolarHBondContact O-N 3Å; Q260-M263 PolarHBondContact O-N 3.45Å; Q260-V264 WeakPolarHBondContact O-CB 3.34Å; Q260-V264 WeakPolarHBondContact O-CG2 3.18Å; Q260-V264 PolarHBondContact O-N 3.22Å
261V86Confident79.4Confident18 Ų1871.9 Ų71.911%0.10935%0.35CS..Hα-helixtrans-58.7-44.21731700000111.1M104 V105 M109 A257 G265M104-V261 HydrophobicContact CE-CG1 3.86Å; M104-V261 HydrophobicContact CG-CG1 4.04Å; V105-V261 HydrophobicContact CG2-CG1 4.15Å; M109-V261 HydrophobicContact CG-CG2 4.23Å; M109-V261 HydrophobicContact SD-CG2 4.35Å; A257-V261 WeakPolarHBondContact O-CB 3.22Å; A257-V261 VanDerWaalsContact O-CG2 3.28Å; A257-V261 WeakPolarHBondContact O-CG2 3.48Å; A257-V261 PolarHBondContact O-N 2.9Å; V261-G265 PolarHBondContact O-N 3.01Å
262L86.7Confident80.8Confident117 Ų11767.3 Ų67.361%0.61332%0.32SS*.Hα-helixtrans-66.7-42.9178.4-73.7173.1000112.7P258 I259 Q260 G265 F266P258-L262 WeakPolarHBondContact O-CB 3.25Å; P258-L262 VanDerWaalsContact O-CG 3.23Å; P258-L262 WeakPolarHBondContact O-CG 3.2Å; P258-L262 PolarHBondContact O-N 2.83Å; I259-L262 PolarHBondContact O-N 3.36Å; Q260-L262 VanDerWaalsContact C-N 3.33Å; Q260-L262 PolarHBondContact O-N 3Å; L262-G265 PolarHBondContact O-N 3.35Å; L262-F266 WeakPolarHBondContact O-CB 3.4Å; L262-F266 PolarHBondContact O-N 3.38Å
263M85.3Confident82.2Confident56 Ų5660.3 Ų60.328%0.27629%0.292SS..Hα-helixtrans-64.6-45.9177.9-74.9-67.7-74.700111.1I246 V247 I259 Q260 G265 F266 F267I246-M263 HydrophobicContact CG2-CE 4.39Å; V247-M263 HydrophobicContact CG1-CB 4.18Å; V247-M263 HydrophobicContact CG2-CB 4.35Å; I259-M263 HydrophobicContact CG2-CG 4.09Å; I259-M263 WeakPolarHBondContact O-CB 3.13Å; I259-M263 VanDerWaalsContact O-CG 3.23Å; I259-M263 WeakPolarHBondContact O-CG 3.29Å; I259-M263 PolarHBondContact O-N 3.3Å; Q260-M263 PolarHBondContact O-N 3.45Å; M263-G265 VanDerWaalsContact C-N 3.3Å; M263-G265 PolarHBondContact O-N 3.3Å; M263-F266 WeakPolarHBondContact O-CB 3.19Å; M263-F266 PolarHBondContact O-N 3.21Å; M263-F267 HydrophobicContact CE-CE2 4.1Å; M263-F267 WeakPolarHBondContact O-CD2 3.44Å; M263-F267 PolarHBondContact O-N 3.38Å
264V85.5Confident83.8Confident0 Ų052.3 Ų52.30%027%0.266CS..Hα-helixtrans-58.4-45.6171.91730000110.3M104 T107 M111 V247 Q260 F266 F267 L268M104-V264 HydrophobicContact CB-CG1 4.34Å; T107-V264 HydrophobicContact CG2-CG1 3.78Å; T107-V264 HydrophobicContact CG2-CG2 4.22Å; M111-V264 HydrophobicContact CE-CG2 3.14Å; V247-V264 HydrophobicContact CG1-CG2 3.89Å; Q260-V264 WeakPolarHBondContact O-CB 3.34Å; Q260-V264 WeakPolarHBondContact O-CG2 3.18Å; Q260-V264 PolarHBondContact O-N 3.22Å; V264-F266 VanDerWaalsContact C-N 3.33Å; V264-F266 PolarHBondContact O-N 2.77Å; V264-F267 PolarHBondContact O-N 3.13Å; V264-L268 HydrophobicContact CG1-CD1 3.59Å; V264-L268 HydrophobicContact CG1-CG 3.96Å; V264-L268 WeakPolarHBondContact O-CB 3.15Å; V264-L268 VanDerWaalsContact O-CG 3.29Å; V264-L268 WeakPolarHBondContact O-CG 3.14Å; V264-L268 PolarHBondContact O-N 2.61Å
265G87.3Confident85.4Confident5 Ų542.9 Ų42.95%0.05223%0.226CC..Hα-helixtrans-60.1-42.3178.600000112.7V261 L262 M263 L268 T269V261-G265 PolarHBondContact O-N 3.01Å; L262-G265 PolarHBondContact O-N 3.35Å; M263-G265 VanDerWaalsContact C-N 3.3Å; M263-G265 PolarHBondContact O-N 3.3Å; G265-L268 PolarHBondContact O-N 3.02Å; G265-T269 WeakPolarHBondContact O-CB 3.24Å; G265-T269 PolarHBondContact O-N 3.46Å; G265-T269 PolarHBondContact O-OG1 3.27Å
266F87.8Confident86.3Confident117 Ų11738.1 Ų38.151%0.51320%0.203SC..Hα-helixtrans-57.7-54.7172.7177.6-93.9000110.5L262 M263 V264 L268 T269 F270L262-F266 WeakPolarHBondContact O-CB 3.4Å; L262-F266 PolarHBondContact O-N 3.38Å; M263-F266 WeakPolarHBondContact O-CB 3.19Å; M263-F266 PolarHBondContact O-N 3.21Å; V264-F266 VanDerWaalsContact C-N 3.33Å; V264-F266 PolarHBondContact O-N 2.77Å; F266-L268 PolarHBondContact O-N 3.22Å; F266-T269 WeakPolarHBondContact O-CB 3.45Å; F266-T269 PolarHBondContact O-N 3.22Å; F266-F270 AromaticContact CD2-CE2 3.94Å; F266-F270 HydrophobicContact CD2-CE2 3.94Å; F266-F270 HydrophobicContact CE1-CD2 4.36Å; F266-F270 HydrophobicContact CE1-CE2 4.16Å; F266-F270 HydrophobicContact CE2-CD2 4.47Å; F266-F270 AromaticContact CE2-CE2 3.55Å; F266-F270 HydrophobicContact CE2-CE2 3.55Å; F266-F270 HydrophobicContact CE2-CZ 4.27Å; F266-F270 HydrophobicContact CG-CE2 4.41Å; F266-F270 HydrophobicContact CZ-CD2 4.29Å; F266-F270 AromaticContact CZ-CE2 3.67Å; F266-F270 HydrophobicContact CZ-CE2 3.67Å; F266-F270 HydrophobicContact CZ-CZ 4.44Å; F266-F270 WeakPolarHBondContact O-CD2 3.35Å
267F88.6Confident87Confident46 Ų4635.8 Ų35.820%0.20219%0.191CC..Hα-helixtrans-60.5-44.7179.5-78.2-63.8000112.8P241 I246 V247 M263 V264 T269 F270 A271P241-F267 HydrophobicContact CB-CB 4.14Å; P241-F267 HydrophobicContact CB-CD1 3.96Å; P241-F267 HydrophobicContact CB-CG 4.22Å; I246-F267 HydrophobicContact CG2-CZ 4.3Å; V247-F267 HydrophobicContact CG2-CD2 3.52Å; V247-F267 HydrophobicContact CG2-CE2 3.4Å; M263-F267 HydrophobicContact CE-CE2 4.1Å; M263-F267 WeakPolarHBondContact O-CD2 3.44Å; M263-F267 PolarHBondContact O-N 3.38Å; V264-F267 PolarHBondContact O-N 3.13Å; F267-T269 VanDerWaalsContact C-N 3.29Å; F267-T269 PolarHBondContact O-N 3.4Å; F267-F270 PolarHBondContact O-N 3.5Å; F267-A271 WeakPolarHBondContact O-CB 3.48Å; F267-A271 PolarHBondContact O-N 3.49Å
268L88.5Confident87.6Confident10 Ų1038 Ų385%0.05220%0.199CC..Hα-helixtrans-64.2-32.6178.9-73.2179.2000112.6V100 N103 M104 V264 G265 F266 F270 T272V100-L268 HydrophobicContact CG1-CB 4.16Å; N103-L268 HydrophobicContact CB-CD1 3.71Å; M104-L268 HydrophobicContact CB-CD1 4.27Å; V264-L268 HydrophobicContact CG1-CD1 3.59Å; V264-L268 HydrophobicContact CG1-CG 3.96Å; V264-L268 WeakPolarHBondContact O-CB 3.15Å; V264-L268 VanDerWaalsContact O-CG 3.29Å; V264-L268 WeakPolarHBondContact O-CG 3.14Å; V264-L268 PolarHBondContact O-N 2.61Å; G265-L268 PolarHBondContact O-N 3.02Å; F266-L268 PolarHBondContact O-N 3.22Å; L268-F270 PolarHBondContact O-N 2.93Å; L268-T272 WeakPolarHBondContact O-CB 3.46Å; L268-T272 PolarHBondContact O-N 2.88Å; L268-T272 PolarHBondContact O-OG1 2.97Å
269T87.1Confident87.8Confident48 Ų4836.9 Ų36.929%0.29419%0.187SC..Hα-helixtrans-60-33.3176.9-61.80000111.7F32 G265 F266 F267 P273F32-T269 WeakPolarHBondContact CE1-O 3.36Å; G265-T269 WeakPolarHBondContact O-CB 3.24Å; G265-T269 PolarHBondContact O-N 3.46Å; G265-T269 PolarHBondContact O-OG1 3.27Å; F266-T269 WeakPolarHBondContact O-CB 3.45Å; F266-T269 PolarHBondContact O-N 3.22Å; F267-T269 VanDerWaalsContact C-N 3.29Å; F267-T269 PolarHBondContact O-N 3.4Å; T269-P273 WeakPolarHBondContact O-CD 3.5Å; T269-P273 VanDerWaalsContact O-CG 3.24Å; T269-P273 WeakPolarHBondContact O-CG 3.34Å
270F90.6Very high88Confident92 Ų9237.2 Ų37.240%0.40419%0.191SC..Hα-helixtrans-94.7-44.8175.5-61.4-82.4000112.4F32 F266 F267 L268 T272 P273 L274F32-F270 AromaticContact CE1-CD1 3.86Å; F32-F270 HydrophobicContact CE1-CD1 3.86Å; F32-F270 HydrophobicContact CE1-CE1 4.42Å; F32-F270 AromaticContact CZ-CD1 3.89Å; F32-F270 HydrophobicContact CZ-CD1 3.89Å; F266-F270 AromaticContact CD2-CE2 3.94Å; F266-F270 HydrophobicContact CD2-CE2 3.94Å; F266-F270 HydrophobicContact CE1-CD2 4.36Å; F266-F270 HydrophobicContact CE1-CE2 4.16Å; F266-F270 HydrophobicContact CE2-CD2 4.47Å; F266-F270 AromaticContact CE2-CE2 3.55Å; F266-F270 HydrophobicContact CE2-CE2 3.55Å; F266-F270 HydrophobicContact CE2-CZ 4.27Å; F266-F270 HydrophobicContact CG-CE2 4.41Å; F266-F270 HydrophobicContact CZ-CD2 4.29Å; F266-F270 AromaticContact CZ-CE2 3.67Å; F266-F270 HydrophobicContact CZ-CE2 3.67Å; F266-F270 HydrophobicContact CZ-CZ 4.44Å; F266-F270 WeakPolarHBondContact O-CD2 3.35Å; F267-F270 PolarHBondContact O-N 3.5Å; L268-F270 PolarHBondContact O-N 2.93Å; F270-T272 VanDerWaalsContact C-N 3.34Å; F270-T272 PolarHBondContact O-N 3.27Å; F270-P273 VanDerWaalsContact O-CD 3.26Å; F270-P273 WeakPolarHBondContact O-CD 3.43Å; F270-P273 WeakPolarHBondContact O-CG 3.44Å; F270-L274 HydrophobicContact CB-CD1 4.24Å; F270-L274 VanDerWaalsContact O-CB 3.31Å; F270-L274 WeakPolarHBondContact O-CB 3.11Å; F270-L274 WeakPolarHBondContact O-CD1 2.96Å; F270-L274 WeakPolarHBondContact O-CG 3.02Å; F270-L274 PolarHBondContact O-N 3.33Å
271A91.2Very high88Confident10 Ų1038.7 Ų38.78%0.08320%0.198CC..Hα-helixtrans-61.9-41.2-175.300000112P241 F267 C275P241-A271 HydrophobicContact CB-CB 4.49Å; P241-A271 HydrophobicContact CG-CB 3.91Å; F267-A271 WeakPolarHBondContact O-CB 3.48Å; F267-A271 PolarHBondContact O-N 3.49Å; A271-C275 WeakPolarHBondContact O-CB 3.06Å; A271-C275 PolarHBondContact O-N 2.9Å; A271-C275 PolarHBondContact O-SG 2.89Å
272T87.6Confident88Confident5 Ų543.4 Ų43.43%0.03122%0.217CC..Hα-helixtrans-57.6-60.2-179.6-52.90000111.8T35 V100 M238 L268 F270 L274 C275 C276T35-T272 HydrophobicContact CG2-CG2 4.21Å; V100-T272 HydrophobicContact CG2-CG2 4.42Å; M238-T272 HydrophobicContact SD-CG2 4.06Å; L268-T272 WeakPolarHBondContact O-CB 3.46Å; L268-T272 PolarHBondContact O-N 2.88Å; L268-T272 PolarHBondContact O-OG1 2.97Å; F270-T272 VanDerWaalsContact C-N 3.34Å; F270-T272 PolarHBondContact O-N 3.27Å; T272-L274 PolarHBondContact O-N 3.03Å; T272-C275 PolarHBondContact O-N 2.92Å; T272-C276 WeakPolarHBondContact O-CB 3.39Å; T272-C276 PolarHBondContact O-N 3.16Å; T272-C276 PolarHBondContact O-SG 3.24Å; T272-C276 VanDerWaalsContact O-SG 3.34Å
273P88.4Confident88.1Confident0 Ų038.1 Ų38.10%019%0.19CC..Hα-helixtrans-66.3-35.6-178.624.9-34.9000113.7F31 F32 T269 F270 A277F31-P273 HydrophobicContact CB-CB 3.63Å; F32-P273 HydrophobicContact CB-CB 4.34Å; F32-P273 HydrophobicContact CD1-CB 4.08Å; F32-P273 HydrophobicContact CD1-CG 3.46Å; F32-P273 VanDerWaalsContact CD1-CG 3.46Å; F32-P273 HydrophobicContact CD2-CB 3.88Å; F32-P273 HydrophobicContact CD2-CG 3.96Å; F32-P273 HydrophobicContact CE1-CB 4.3Å; F32-P273 HydrophobicContact CE1-CG 3.35Å; F32-P273 HydrophobicContact CE2-CB 4.09Å; F32-P273 HydrophobicContact CE2-CG 3.84Å; F32-P273 HydrophobicContact CG-CB 3.84Å; F32-P273 HydrophobicContact CG-CG 3.75Å; F32-P273 HydrophobicContact CZ-CB 4.29Å; F32-P273 HydrophobicContact CZ-CG 3.53Å; T269-P273 WeakPolarHBondContact O-CD 3.5Å; T269-P273 VanDerWaalsContact O-CG 3.24Å; T269-P273 WeakPolarHBondContact O-CG 3.34Å; F270-P273 VanDerWaalsContact O-CD 3.26Å; F270-P273 WeakPolarHBondContact O-CD 3.43Å; F270-P273 WeakPolarHBondContact O-CG 3.44Å; P273-A277 WeakPolarHBondContact O-CB 3.25Å; P273-A277 PolarHBondContact O-N 3.45Å
274L92.9Very high88.3Confident52 Ų5238.5 Ų38.527%0.27220%0.198SC..Hα-helixtrans-66.3-45.2177.9-67.4173.8000111.6Y24 F32 F270 T272 A277 L278Y24-L274 HydrophobicContact CE1-CD2 4.29Å; Y24-L274 WeakPolarHBondContact OH-CB 3.35Å; Y24-L274 WeakPolarHBondContact OH-CD2 3.5Å; Y24-L274 PolarHBondContact OH-O 3.4Å; F32-L274 HydrophobicContact CE2-CD2 4.01Å; F32-L274 HydrophobicContact CE2-CG 4.25Å; F32-L274 HydrophobicContact CZ-CD2 4.39Å; F32-L274 HydrophobicContact CZ-CG 4.22Å; F270-L274 HydrophobicContact CB-CD1 4.24Å; F270-L274 VanDerWaalsContact O-CB 3.31Å; F270-L274 WeakPolarHBondContact O-CB 3.11Å; F270-L274 WeakPolarHBondContact O-CD1 2.96Å; F270-L274 WeakPolarHBondContact O-CG 3.02Å; F270-L274 PolarHBondContact O-N 3.33Å; T272-L274 PolarHBondContact O-N 3.03Å; L274-A277 WeakPolarHBondContact O-CB 3.49Å; L274-A277 PolarHBondContact O-N 3.48Å; L274-L278 PolarHBondContact O-N 2.84Å
275C91.4Very high88.7Confident15 Ų1538.6 Ų38.610%0.10120%0.198CC..Hα-helixtrans-68.3-38177.3-72.50000112.1S234 M238 A271 T272 A277 L278S234-C275 PolarHBondContact OG-O 2.87Å; M238-C275 HydrophobicContact CE-CB 3.78Å; M238-C275 HydrophobicContact CG-CB 3.38Å; M238-C275 HydrophobicContact SD-CB 4.49Å; A271-C275 WeakPolarHBondContact O-CB 3.06Å; A271-C275 PolarHBondContact O-N 2.9Å; A271-C275 PolarHBondContact O-SG 2.89Å; T272-C275 PolarHBondContact O-N 2.92Å; C275-A277 PolarHBondContact O-N 2.93Å; C275-L278 HydrophobicContact CB-CD1 4.22Å; C275-L278 WeakPolarHBondContact O-CB 3.42Å; C275-L278 WeakPolarHBondContact O-CG 3.06Å; C275-L278 PolarHBondContact O-N 3.47Å
276C87Confident89Confident9 Ų939.6 Ų39.66%0.06121%0.206CC..Hα-helixtrans-59.1-34.7172-77.80000111.8F31 M238 T272F31-C276 HydrophobicContact CB-CB 4.2Å; F31-C276 HydrophobicContact CD1-CB 3.81Å; F31-C276 HydrophobicContact CD2-CB 3.5Å; F31-C276 HydrophobicContact CE1-CB 4.05Å; F31-C276 HydrophobicContact CE2-CB 3.74Å; F31-C276 WeakPolarHBondContact CE2-O 3.4Å; F31-C276 HydrophobicContact CG-CB 3.55Å; F31-C276 HydrophobicContact CZ-CB 4.01Å; M238-C276 HydrophobicContact CE-CB 4.26Å; M238-C276 WeakPolarHBondContact CE-SG 3.1Å; T272-C276 WeakPolarHBondContact O-CB 3.39Å; T272-C276 PolarHBondContact O-N 3.16Å; T272-C276 PolarHBondContact O-SG 3.24Å; T272-C276 VanDerWaalsContact O-SG 3.34Å
277A90.4Very high89.2Confident0 Ų034.9 Ų34.90%019%0.187CC..Hα-helixtrans-79.3-12.9-179.300000114.7Y24 R27 S28 F31 P273 L274 C275 F279Y24-A277 HydrophobicContact CD2-CB 4.03Å; Y24-A277 VanDerWaalsContact CD2-O 3.29Å; Y24-A277 WeakPolarHBondContact CD2-O 3.22Å; Y24-A277 HydrophobicContact CE2-CB 3.76Å; R27-A277 HydrophobicContact CB-CB 3.72Å; R27-A277 PolarHBondContact NE-O 2.9Å; R27-A277 PolarHBondContact NH2-O 3.23Å; S28-A277 VanDerWaalsContact OG-CB 3.25Å; S28-A277 WeakPolarHBondContact OG-CB 3.43Å; F31-A277 HydrophobicContact CD2-CB 4.21Å; P273-A277 WeakPolarHBondContact O-CB 3.25Å; P273-A277 PolarHBondContact O-N 3.45Å; L274-A277 WeakPolarHBondContact O-CB 3.49Å; L274-A277 PolarHBondContact O-N 3.48Å; C275-A277 PolarHBondContact O-N 2.93Å; A277-F279 VanDerWaalsContact C-N 3.26Å; A277-F279 PolarHBondContact O-N 3.45Å
278L90.2Very high89.4Confident68 Ų6837 Ų3736%0.35621%0.208SC..SBendtrans-52.4-46.7-178.3-75.3170.4000111.7Y24 L237 L274 C275Y24-L278 HydrophobicContact CE2-CD2 4.21Å; L237-L278 HydrophobicContact CD1-CD1 3.73Å; L274-L278 PolarHBondContact O-N 2.84Å; C275-L278 HydrophobicContact CB-CD1 4.22Å; C275-L278 WeakPolarHBondContact O-CB 3.42Å; C275-L278 WeakPolarHBondContact O-CG 3.06Å; C275-L278 PolarHBondContact O-N 3.47Å
279F87.9Confident89.5Confident55 Ų5540.4 Ų40.424%0.24122%0.223CC..SBendtrans-108.8137.5-179.7-56.9-70.3000110.3M230 L233 A277 K312M230-F279 HydrophobicContact CB-CB 4.36Å; M230-F279 HydrophobicContact CB-CD1 4.3Å; M230-F279 HydrophobicContact CB-CD2 3.71Å; M230-F279 HydrophobicContact CB-CE2 4.04Å; M230-F279 HydrophobicContact CB-CG 3.86Å; M230-F279 HydrophobicContact CB-CZ 4.48Å; M230-F279 HydrophobicContact CG-CD1 3.91Å; M230-F279 HydrophobicContact CG-CD2 4.22Å; M230-F279 HydrophobicContact CG-CE1 4.13Å; M230-F279 HydrophobicContact CG-CE2 4.42Å; M230-F279 HydrophobicContact CG-CG 3.96Å; M230-F279 HydrophobicContact CG-CZ 4.38Å; M230-F279 WeakPolarHBondContact O-CE2 3.31Å; M230-F279 HydrophobicContact SD-CB 4.1Å; M230-F279 HydrophobicContact SD-CD1 3.94Å; M230-F279 HydrophobicContact SD-CG 4.03Å; L233-F279 HydrophobicContact CD2-CE2 4.37Å; L233-F279 HydrophobicContact CD2-CZ 3.99Å; A277-F279 VanDerWaalsContact C-N 3.26Å; A277-F279 PolarHBondContact O-N 3.45Å; F279-K312 HydrophobicContact CB-CD 3.46Å; F279-K312 VanDerWaalsContact CB-CD 3.46Å; F279-K312 HydrophobicContact CG-CD 4.36Å; F279-K312 WeakPolarHBondContact O-CE 3.25Å
280P86.8Confident89.9Confident44 Ų4438.4 Ų38.429%0.28621%0.211SC..  trans-60.9148.1176.127.9-34000110.9S283 K312P280-S283 PolarHBondContact O-OG 2.69Å; P280-K312 WeakPolarHBondContact O-CE 3.46Å
281Q81.6Confident90Very high46 Ų4635.6 Ų35.622%0.21520%0.199CC..SBendtrans-70.5-36.1176-168.4171.122.400111.1N311 K312Q281-N311 WeakPolarHBondContact CG-OD1 3.34Å; Q281-N311 CarbonylContact O-C 2.97Å; Q281-N311 WeakPolarHBondContact O-CA 2.92Å; Q281-N311 PolarHBondContact O-OD1 2.91Å; Q281-K312 PolarHBondContact O-N 2.99Å
282K85.8Confident90.1Very high116 Ų11640.1 Ų40.150%0.50423%0.227SC..EExtended strand (participates in β ladder)trans-100.299.2168.1-172.6175179.6-179.80108.4Y309 F310K282-Y309 HydrophobicContact CG-CD1 4.27Å; K282-Y309 HydrophobicContact CG-CG 4.45Å; K282-F310 CarbonylContact C-O 3.56Å; K282-F310 WeakPolarHBondContact CA-O 3.34Å
283S87.7Confident90.3Very high6 Ų644.1 Ų44.14%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-91.4153.5178.1-69.90000110.5P280 Y309 F310P280-S283 PolarHBondContact O-OG 2.69Å; S283-Y309 CarbonylContact O-C 3.54Å; S283-Y309 VanDerWaalsContact O-CA 3.22Å; S283-Y309 WeakPolarHBondContact O-CA 3.23Å; S283-F310 VanDerWaalsContact CB-CZ 3.42Å; S283-F310 PolarHBondContact N-O 3.21Å; S283-F310 WeakPolarHBondContact O-CD1 3.41Å; S283-F310 PolarHBondContact O-N 2.8Å
284S91.2Very high90.4Very high64 Ų6444.6 Ų44.645%0.44826%0.258SS..EExtended strand (participates in β ladder)trans-101.6155.1171.553.90000111.8L308S284-L308 CarbonylContact C-O 3.55Å; S284-L308 WeakPolarHBondContact CA-O 3.48Å
285I92.4Very high90.4Very high2 Ų245 Ų451%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-140.1137.6173.2-173.2160.5000108.7L209 V222 A223 E289 L290 L308 F310L209-I285 HydrophobicContact CD2-CG2 4.25Å; V222-I285 HydrophobicContact CG1-CD1 4.22Å; A223-I285 HydrophobicContact CB-CD1 4.28Å; I285-E289 HydrophobicContact CD1-CB 4.44Å; I285-E289 HydrophobicContact CG1-CB 4.14Å; I285-L290 HydrophobicContact CD1-CD2 3.7Å; I285-L290 HydrophobicContact CG1-CD2 4.08Å; I285-L290 HydrophobicContact CG2-CD2 3.93Å; I285-L308 HydrophobicContact CG2-CB 4.26Å; I285-L308 PolarHBondContact N-O 3.5Å; I285-L308 PolarHBondContact O-N 2.87Å; I285-F310 HydrophobicContact CB-CD1 4.27Å; I285-F310 HydrophobicContact CB-CE1 3.86Å; I285-F310 HydrophobicContact CG2-CD1 3.94Å; I285-F310 HydrophobicContact CG2-CE1 4.06Å
286A93.9Very high90.3Very high26 Ų2649.1 Ų49.122%0.21528%0.276CS..EExtended strand (participates in β ladder)trans-74.1141.9175.600000109.7S288 E289 E306 L307A286-S288 PolarHBondContact O-N 3.47Å; A286-E289 HydrophobicContact CB-CG 4.14Å; A286-E289 PolarHBondContact N-OE2 2.99Å; A286-E289 WeakPolarHBondContact O-CB 3.39Å; A286-E289 PolarHBondContact O-N 3.06Å; A286-E306 WeakPolarHBondContact CA-O 3.39Å; A286-L307 HydrophobicContact CB-CD2 4.2Å
287V92Very high90.5Very high19 Ų1955.5 Ų55.512%0.11530%0.299CS..G310 helixtrans-60-34-179.3172.40000111.7E289 L290 Q295 I298 P305 E306 L308V287-E289 PolarHBondContact O-N 2.93Å; V287-E289 VanDerWaalsContact O-N 3.07Å; V287-L290 HydrophobicContact CB-CD1 4.42Å; V287-L290 HydrophobicContact CG1-CD1 4.47Å; V287-L290 HydrophobicContact CG2-CD1 4.25Å; V287-L290 WeakPolarHBondContact O-CB 3.15Å; V287-L290 PolarHBondContact O-N 3.31Å; V287-Q295 HydrophobicContact CG1-CB 4.34Å; V287-Q295 HydrophobicContact CG1-CG 4.31Å; V287-Q295 VanDerWaalsContact O-CD 3.27Å; V287-Q295 WeakPolarHBondContact O-CG 3.28Å; V287-Q295 PolarHBondContact O-NE2 2.9Å; V287-I298 HydrophobicContact CG1-CB 4.19Å; V287-I298 HydrophobicContact CG1-CD1 3.82Å; V287-I298 HydrophobicContact CG1-CG2 4.09Å; V287-I298 HydrophobicContact CG2-CD1 3.99Å; V287-I298 HydrophobicContact CG2-CG2 4.19Å; V287-P305 WeakPolarHBondContact CG2-O 3.42Å; V287-E306 PolarHBondContact N-O 3.03Å; V287-L308 HydrophobicContact CG2-CD1 4.2Å; V287-L308 HydrophobicContact CG2-CG 4.05Å
288S92.6Very high90.4Very high90 Ų9055.6 Ų55.663%0.62930%0.3SS*.G310 helixtrans-59.7-17.9175.854.70000114.9A286 Q295A286-S288 PolarHBondContact O-N 3.47Å; S288-Q295 VanDerWaalsContact C-NE2 3.27Å; S288-Q295 PolarHBondContact O-NE2 3.09Å
289E92Very high90.3Very high81 Ų8155.7 Ų55.738%0.37931%0.306SS..G310 helixtrans-96.4-5.7-179.6-56.3176.5126.600112.7V222 R226 I285 A286 V287V222-E289 WeakPolarHBondContact CG1-O 3.35Å; R226-E289 IonicContact CZ-OE1 3.52Å; R226-E289 IonicContact CZ-OE2 3.1Å; R226-E289 VanDerWaalsContact CZ-OE2 3.27Å; R226-E289 VanDerWaalsContact NH1-CD 3.3Å; R226-E289 IonicContact NH1-OE1 2.86Å; R226-E289 PolarHBondContact NH1-OE1 2.79Å; R226-E289 IonicContact NH1-OE2 2.64Å; R226-E289 PolarHBondContact NH1-OE2 3.44Å; R226-E289 IonicContact NH2-OE1 3.6Å; R226-E289 PolarHBondContact NH2-OE1 3.24Å; R226-E289 IonicContact NH2-OE2 2.71Å; R226-E289 PolarHBondContact NH2-OE2 2.88Å; I285-E289 HydrophobicContact CD1-CB 4.44Å; I285-E289 HydrophobicContact CG1-CB 4.14Å; A286-E289 HydrophobicContact CB-CG 4.14Å; A286-E289 PolarHBondContact N-OE2 2.99Å; A286-E289 WeakPolarHBondContact O-CB 3.39Å; A286-E289 PolarHBondContact O-N 3.06Å; V287-E289 PolarHBondContact O-N 2.93Å; V287-E289 VanDerWaalsContact O-N 3.07Å
290L93.6Very high90.3Very high6 Ų661.8 Ų61.83%0.03133%0.327CS..SBendtrans-81.2172.3-179-62.6173.6000112L209 S220 I285 V287 L294 Q295 I298 L308L209-L290 HydrophobicContact CD1-CD1 3.63Å; L209-L290 HydrophobicContact CD1-CD2 3.71Å; L209-L290 HydrophobicContact CD1-CG 4.36Å; S220-L290 WeakPolarHBondContact OG-CD2 3.26Å; I285-L290 HydrophobicContact CD1-CD2 3.7Å; I285-L290 HydrophobicContact CG1-CD2 4.08Å; I285-L290 HydrophobicContact CG2-CD2 3.93Å; V287-L290 HydrophobicContact CB-CD1 4.42Å; V287-L290 HydrophobicContact CG1-CD1 4.47Å; V287-L290 HydrophobicContact CG2-CD1 4.25Å; V287-L290 WeakPolarHBondContact O-CB 3.15Å; V287-L290 PolarHBondContact O-N 3.31Å; L290-L294 HydrophobicContact CB-CD2 4.37Å; L290-L294 HydrophobicContact CD1-CD2 4.03Å; L290-L294 HydrophobicContact CD1-CG 4.43Å; L290-Q295 HydrophobicContact CB-CG 4.23Å; L290-Q295 PolarHBondContact O-NE2 3.42Å; L290-I298 HydrophobicContact CD1-CD1 3.87Å; L290-L308 HydrophobicContact CD1-CD1 3.8Å
291E93.9Very high90.3Very high34 Ų3462.7 Ų62.716%0.15933%0.329CS..  trans-57.5135.6172.6-62.287.1164.300111S220 T221 V222 S293 L294 Q295S220-E291 VanDerWaalsContact CB-OE2 3.28Å; S220-E291 WeakPolarHBondContact CB-OE2 3.47Å; S220-E291 VanDerWaalsContact OG-CD 3.31Å; S220-E291 PolarHBondContact OG-OE1 3.09Å; S220-E291 PolarHBondContact OG-OE2 3.04Å; T221-E291 WeakPolarHBondContact CA-OE1 3.34Å; T221-E291 WeakPolarHBondContact CB-OE1 3.14Å; T221-E291 PolarHBondContact N-OE1 3.31Å; T221-E291 PolarHBondContact OG1-OE1 3.47Å; V222-E291 HydrophobicContact CG2-CG 4.17Å; V222-E291 PolarHBondContact N-OE1 3.01Å; E291-S293 PolarHBondContact O-N 3.38Å; E291-S293 VanDerWaalsContact O-N 3.1Å; E291-L294 HydrophobicContact CB-CB 4.46Å; E291-L294 WeakPolarHBondContact O-CA 3.2Å; E291-L294 WeakPolarHBondContact O-CB 3.25Å; E291-L294 PolarHBondContact O-N 2.76Å; E291-Q295 WeakPolarHBondContact O-CG 3.35Å; E291-Q295 PolarHBondContact O-N 3.35Å
292P92.7Very high90.1Very high104 Ų10466.2 Ų66.268%0.67536%0.357SS*.Hα-helixtrans-53.2-37.1-175.8-29.735.3000114.6L294 Q295 E296P292-L294 VanDerWaalsContact C-N 3.28Å; P292-L294 PolarHBondContact O-N 3.14Å; P292-Q295 WeakPolarHBondContact O-CB 3.41Å; P292-Q295 PolarHBondContact O-N 3.23Å; P292-E296 PolarHBondContact O-N 3.37Å
293S91.8Very high89.8Confident90 Ų9068.6 Ų68.663%0.62937%0.369SS*.Hα-helixtrans-63.2-33.7176.356.10000113E291 R297E291-S293 PolarHBondContact O-N 3.38Å; E291-S293 VanDerWaalsContact O-N 3.1Å; S293-R297 WeakPolarHBondContact O-CB 3.37Å; S293-R297 PolarHBondContact O-N 2.88Å; S293-R297 VanDerWaalsContact O-N 3.16Å
294L90.9Very high89.5Confident10 Ų1073.5 Ų73.55%0.05239%0.391CS..Hα-helixtrans-78.4-37.7176.3-170.359.5000110.9L209 L290 E291 P292 E296 R297 I298L209-L294 HydrophobicContact CD1-CD2 3.66Å; L290-L294 HydrophobicContact CB-CD2 4.37Å; L290-L294 HydrophobicContact CD1-CD2 4.03Å; L290-L294 HydrophobicContact CD1-CG 4.43Å; E291-L294 HydrophobicContact CB-CB 4.46Å; E291-L294 WeakPolarHBondContact O-CA 3.2Å; E291-L294 WeakPolarHBondContact O-CB 3.25Å; E291-L294 PolarHBondContact O-N 2.76Å; P292-L294 VanDerWaalsContact C-N 3.28Å; P292-L294 PolarHBondContact O-N 3.14Å; L294-E296 VanDerWaalsContact C-N 3.34Å; L294-E296 PolarHBondContact O-N 3.43Å; L294-R297 PolarHBondContact O-N 2.95Å; L294-I298 HydrophobicContact CD1-CD1 4.35Å; L294-I298 HydrophobicContact CG-CD1 3.88Å; L294-I298 WeakPolarHBondContact O-CB 3.4Å; L294-I298 WeakPolarHBondContact O-CD1 3.44Å; L294-I298 WeakPolarHBondContact O-CG1 3.5Å; L294-I298 PolarHBondContact O-N 3.04Å
295Q92.1Very high89.2Confident61 Ų6171.9 Ų71.929%0.28538%0.379SS..Hα-helixtrans-57.6-47.5172.3-54.5-166.318.600111.2V287 S288 L290 E291 P292 R297 I298 S299V287-Q295 HydrophobicContact CG1-CB 4.34Å; V287-Q295 HydrophobicContact CG1-CG 4.31Å; V287-Q295 VanDerWaalsContact O-CD 3.27Å; V287-Q295 WeakPolarHBondContact O-CG 3.28Å; V287-Q295 PolarHBondContact O-NE2 2.9Å; S288-Q295 VanDerWaalsContact C-NE2 3.27Å; S288-Q295 PolarHBondContact O-NE2 3.09Å; L290-Q295 HydrophobicContact CB-CG 4.23Å; L290-Q295 PolarHBondContact O-NE2 3.42Å; E291-Q295 WeakPolarHBondContact O-CG 3.35Å; E291-Q295 PolarHBondContact O-N 3.35Å; P292-Q295 WeakPolarHBondContact O-CB 3.41Å; P292-Q295 PolarHBondContact O-N 3.23Å; Q295-R297 VanDerWaalsContact C-N 3.34Å; Q295-R297 PolarHBondContact O-N 3.46Å; Q295-I298 PolarHBondContact O-N 2.88Å; Q295-S299 WeakPolarHBondContact O-CB 3.49Å; Q295-S299 PolarHBondContact O-N 3.4Å; Q295-S299 PolarHBondContact O-OG 2.86Å
296E90.9Very high89Confident101 Ų10179.9 Ų79.947%0.47242%0.417SS..Hα-helixtrans-63.9-38.5177.9-170.6-176-178.700112.2P292 L294 S299 R300P292-E296 PolarHBondContact O-N 3.37Å; L294-E296 VanDerWaalsContact C-N 3.34Å; L294-E296 PolarHBondContact O-N 3.43Å; E296-S299 WeakPolarHBondContact CA-OG 3.24Å; E296-S299 PolarHBondContact O-N 3.29Å; E296-S299 PolarHBondContact O-OG 3.47Å; E296-R300 WeakPolarHBondContact O-CG 3.28Å; E296-R300 PolarHBondContact O-N 2.95Å; E296-R300 IonicContact OE1-CZ 3.59Å; E296-R300 IonicContact OE1-NE 2.88Å; E296-R300 IonicContact OE1-NH2 2.66Å; E296-R300 PolarHBondContact OE1-NH2 3.31Å
297R89.5Confident88.9Confident142 Ų14282.5 Ų82.554%0.53643%0.427SS..Hα-helixtrans-65.7-40.5175.2177.5176.4145.1169.8-2.1111.6V217 S293 L294 Q295 R300V217-R297 PolarHBondContact O-NH2 2.61Å; S293-R297 WeakPolarHBondContact O-CB 3.37Å; S293-R297 PolarHBondContact O-N 2.88Å; S293-R297 VanDerWaalsContact O-N 3.16Å; L294-R297 PolarHBondContact O-N 2.95Å; Q295-R297 VanDerWaalsContact C-N 3.34Å; Q295-R297 PolarHBondContact O-N 3.46Å; R297-R300 PolarHBondContact O-N 3.3Å
298I89.4Confident88.9Confident2 Ų281.6 Ų81.61%0.0142%0.421CS..Hα-helixtrans-69.6-38.6178.7-66.8160.7000110.7V217 V287 L290 L294 Q295 R300 L301 H304 P305 L308V217-I298 HydrophobicContact CG1-CD1 4.25Å; V217-I298 HydrophobicContact CG1-CG1 3.76Å; V287-I298 HydrophobicContact CG1-CB 4.19Å; V287-I298 HydrophobicContact CG1-CD1 3.82Å; V287-I298 HydrophobicContact CG1-CG2 4.09Å; V287-I298 HydrophobicContact CG2-CD1 3.99Å; V287-I298 HydrophobicContact CG2-CG2 4.19Å; L290-I298 HydrophobicContact CD1-CD1 3.87Å; L294-I298 HydrophobicContact CD1-CD1 4.35Å; L294-I298 HydrophobicContact CG-CD1 3.88Å; L294-I298 WeakPolarHBondContact O-CB 3.4Å; L294-I298 WeakPolarHBondContact O-CD1 3.44Å; L294-I298 WeakPolarHBondContact O-CG1 3.5Å; L294-I298 PolarHBondContact O-N 3.04Å; Q295-I298 PolarHBondContact O-N 2.88Å; I298-R300 PolarHBondContact O-N 3.44Å; I298-R300 VanDerWaalsContact O-N 3.09Å; I298-L301 WeakPolarHBondContact O-CB 3.42Å; I298-L301 PolarHBondContact O-N 3.37Å; I298-H304 PolarHBondContact O-ND1 2.68Å; I298-P305 HydrophobicContact CG2-CG 4.17Å; I298-L308 HydrophobicContact CD1-CD1 3.5Å; I298-L308 HydrophobicContact CG1-CD1 4.45Å
299S87.8Confident88.9Confident70 Ų7080.7 Ų80.749%0.4940%0.404SS..THydrogen-bonded Turntrans-68.2-3.1176.373.60000114.2Q295 E296 H304Q295-S299 WeakPolarHBondContact O-CB 3.49Å; Q295-S299 PolarHBondContact O-N 3.4Å; Q295-S299 PolarHBondContact O-OG 2.86Å; E296-S299 WeakPolarHBondContact CA-OG 3.24Å; E296-S299 PolarHBondContact O-N 3.29Å; E296-S299 PolarHBondContact O-OG 3.47Å; S299-H304 VanDerWaalsContact C-ND1 3.29Å; S299-H304 VanDerWaalsContact CA-ND1 3.31Å; S299-H304 WeakPolarHBondContact CA-ND1 3.5Å; S299-H304 PolarHBondContact O-CE1 2.81Å; S299-H304 PolarHBondContact O-ND1 3.32Å
300R88.2Confident88.8Confident183 Ų18376.9 Ų76.969%0.69139%0.387SS*.THydrogen-bonded Turntrans-102-7.5171.1-66.4172.9-173.5-167.13.2113.7E296 R297 I298E296-R300 WeakPolarHBondContact O-CG 3.28Å; E296-R300 PolarHBondContact O-N 2.95Å; E296-R300 IonicContact OE1-CZ 3.59Å; E296-R300 IonicContact OE1-NE 2.88Å; E296-R300 IonicContact OE1-NH2 2.66Å; E296-R300 PolarHBondContact OE1-NH2 3.31Å; R297-R300 PolarHBondContact O-N 3.3Å; I298-R300 PolarHBondContact O-N 3.44Å; I298-R300 VanDerWaalsContact O-N 3.09Å
301L85.6Confident88.4Confident63 Ų6380.9 Ų80.933%0.3341%0.408SS..SBendtrans-76.1141.8178.9-64.9174.5000111V217 I298 H303 H304V217-L301 HydrophobicContact CG1-CD1 4.03Å; I298-L301 WeakPolarHBondContact O-CB 3.42Å; I298-L301 PolarHBondContact O-N 3.37Å; L301-H303 PolarHBondContact O-N 2.82Å; L301-H304 PolarHBondContact O-CE1 3.38Å; L301-H304 PolarHBondContact O-ND1 3.12Å; L301-H304 PolarHBondContact O-NE2 3.05Å
302P78.3Confident87.8Confident121 Ų12179.5 Ų79.579%0.78640%0.401SS*.SBendtrans-56.2-29.1-178.6-25.333.2000114.7
303H79.9Confident86.9Confident165 Ų16575.4 Ų75.476%0.76438%0.378SS*.SBendtrans-117.4113170.4-6376.7000106.9L301 P305L301-H303 PolarHBondContact O-N 2.82Å; H303-P305 WeakPolarHBondContact O-CD 3.23Å
304H80.9Confident85.5Confident109 Ų10975.1 Ų75.151%0.50537%0.369SS..  trans-90.497177.7-48.2-65.8000108.8I298 S299 L301 E306I298-H304 PolarHBondContact O-ND1 2.68Å; S299-H304 VanDerWaalsContact C-ND1 3.29Å; S299-H304 VanDerWaalsContact CA-ND1 3.31Å; S299-H304 WeakPolarHBondContact CA-ND1 3.5Å; S299-H304 PolarHBondContact O-CE1 2.81Å; S299-H304 PolarHBondContact O-ND1 3.32Å; L301-H304 PolarHBondContact O-CE1 3.38Å; L301-H304 PolarHBondContact O-ND1 3.12Å; L301-H304 PolarHBondContact O-NE2 3.05Å; H304-E306 PolarHBondContact O-N 3.26Å
305P84.3Confident85.2Confident31 Ų3178.4 Ų78.420%0.20139%0.385CS..  trans-63.7134.3175.127.1-35.4000109.7V287 I298 H303 L307 L308V287-P305 WeakPolarHBondContact CG2-O 3.42Å; I298-P305 HydrophobicContact CG2-CG 4.17Å; H303-P305 WeakPolarHBondContact O-CD 3.23Å; P305-L307 VanDerWaalsContact C-N 3.34Å; P305-L308 HydrophobicContact CB-CD2 4.07Å; P305-L308 HydrophobicContact CG-CD2 3.58Å; P305-L308 HydrophobicContact CG-CG 4.43Å
306E88.4Confident84.8Confident170 Ų17079.3 Ų79.379%0.79439%0.39SS*.SBendtrans-75.2-29.9172.1-65.3-176.6171.200111.7A286 V287 H304A286-E306 WeakPolarHBondContact CA-O 3.39Å; V287-E306 PolarHBondContact N-O 3.03Å; H304-E306 PolarHBondContact O-N 3.26Å
307L92.2Very high84.5Confident81 Ų8178.1 Ų78.142%0.42439%0.385SS..EExtended strand (participates in β ladder)trans-122.7134.2-179-67.6167.5000110.8A286 P305A286-L307 HydrophobicContact CB-CD2 4.2Å; P305-L307 VanDerWaalsContact C-N 3.34Å
308L92.7Very high84.2Confident0 Ų074.3 Ų74.30%038%0.376CS..EExtended strand (participates in β ladder)trans-114.8155.1170.1-66.9-178000110.4L209 F210 D211 V217 S284 I285 V287 L290 I298 P305L209-L308 HydrophobicContact CB-CB 4.26Å; L209-L308 HydrophobicContact CB-CD1 4.01Å; L209-L308 HydrophobicContact CD1-CB 4.29Å; L209-L308 HydrophobicContact CD1-CD1 3.58Å; L209-L308 HydrophobicContact CG-CD1 4.45Å; F210-L308 CarbonylContact O-C 3.56Å; F210-L308 WeakPolarHBondContact O-CA 3.32Å; D211-L308 HydrophobicContact CB-CD2 4.46Å; V217-L308 HydrophobicContact CB-CD1 4.24Å; V217-L308 HydrophobicContact CB-CD2 4.11Å; V217-L308 HydrophobicContact CG1-CD1 4.01Å; V217-L308 HydrophobicContact CG1-CD2 4.28Å; V217-L308 HydrophobicContact CG2-CD2 3.76Å; S284-L308 CarbonylContact C-O 3.55Å; S284-L308 WeakPolarHBondContact CA-O 3.48Å; I285-L308 HydrophobicContact CG2-CB 4.26Å; I285-L308 PolarHBondContact N-O 3.5Å; I285-L308 PolarHBondContact O-N 2.87Å; V287-L308 HydrophobicContact CG2-CD1 4.2Å; V287-L308 HydrophobicContact CG2-CG 4.05Å; L290-L308 HydrophobicContact CD1-CD1 3.8Å; I298-L308 HydrophobicContact CD1-CD1 3.5Å; I298-L308 HydrophobicContact CG1-CD1 4.45Å; P305-L308 HydrophobicContact CB-CD2 4.07Å; P305-L308 HydrophobicContact CG-CD2 3.58Å; P305-L308 HydrophobicContact CG-CG 4.43Å
309Y91.8Very high83.9Confident71 Ų7178.8 Ų78.828%0.27840%0.399SS..EExtended strand (participates in β ladder)trans-115.2142.2-177.2-58.7-89000111.4L209 F210 K282 S283L209-Y309 CarbonylContact C-O 3.44Å; L209-Y309 WeakPolarHBondContact CA-O 3.18Å; F210-Y309 PolarHBondContact N-O 2.94Å; F210-Y309 PolarHBondContact O-N 2.87Å; K282-Y309 HydrophobicContact CG-CD1 4.27Å; K282-Y309 HydrophobicContact CG-CG 4.45Å; S283-Y309 CarbonylContact O-C 3.54Å; S283-Y309 VanDerWaalsContact O-CA 3.22Å; S283-Y309 WeakPolarHBondContact O-CA 3.23Å
310F90Very high83.6Confident1 Ų179.4 Ų79.40%0.00439%0.393CS..EExtended strand (participates in β ladder)trans-139.7155.1177.663.4-82.4000110.9V207 L209 A223 A227 M230 K282 S283 I285V207-F310 HydrophobicContact CG2-CB 4.11Å; V207-F310 HydrophobicContact CG2-CD2 4.31Å; V207-F310 HydrophobicContact CG2-CG 4.44Å; L209-F310 HydrophobicContact CD2-CB 3.8Å; L209-F310 HydrophobicContact CD2-CD1 4.37Å; L209-F310 HydrophobicContact CD2-CG 4.41Å; A223-F310 HydrophobicContact CB-CB 4.5Å; A223-F310 HydrophobicContact CB-CD1 4.07Å; A223-F310 HydrophobicContact CB-CD2 4.29Å; A223-F310 HydrophobicContact CB-CE1 4.38Å; A223-F310 HydrophobicContact CB-CG 4.03Å; A227-F310 HydrophobicContact CB-CD2 4.27Å; A227-F310 HydrophobicContact CB-CE2 3.85Å; M230-F310 HydrophobicContact CE-CZ 4.34Å; K282-F310 CarbonylContact C-O 3.56Å; K282-F310 WeakPolarHBondContact CA-O 3.34Å; S283-F310 VanDerWaalsContact CB-CZ 3.42Å; S283-F310 PolarHBondContact N-O 3.21Å; S283-F310 WeakPolarHBondContact O-CD1 3.41Å; S283-F310 PolarHBondContact O-N 2.8Å; I285-F310 HydrophobicContact CB-CD1 4.27Å; I285-F310 HydrophobicContact CB-CE1 3.86Å; I285-F310 HydrophobicContact CG2-CD1 3.94Å; I285-F310 HydrophobicContact CG2-CE1 4.06Å
311N85.6Confident83.3Confident89 Ų8972 Ų7248%0.47637%0.372SS..EExtended strand (participates in β ladder)trans-83.2119.9174.9-166.4-28.8000109.7Q281 G313Q281-N311 WeakPolarHBondContact CG-OD1 3.34Å; Q281-N311 CarbonylContact O-C 2.97Å; Q281-N311 WeakPolarHBondContact O-CA 2.92Å; Q281-N311 PolarHBondContact O-OD1 2.91Å; N311-G313 PolarHBondContact O-N 3.49Å; N311-G313 PolarHBondContact OD1-N 3.33Å
312K81.5Confident83.1Confident5 Ų572.7 Ų72.72%0.02238%0.375CS..  trans-63.8-30.3177-178.7-177.166.369.70112.2R199 M230 V231 F279 P280 Q281R199-K312 VanDerWaalsContact CZ-O 3.29Å; R199-K312 PolarHBondContact NH1-O 2.89Å; R199-K312 PolarHBondContact NH2-O 3.42Å; M230-K312 HydrophobicContact CB-CD 3.86Å; M230-K312 HydrophobicContact CB-CG 4.32Å; M230-K312 HydrophobicContact SD-CD 4.02Å; M230-K312 HydrophobicContact SD-CG 4.45Å; V231-K312 HydrophobicContact CG2-CD 4.33Å; V231-K312 HydrophobicContact CG2-CG 3.88Å; F279-K312 HydrophobicContact CB-CD 3.46Å; F279-K312 VanDerWaalsContact CB-CD 3.46Å; F279-K312 HydrophobicContact CG-CD 4.36Å; F279-K312 WeakPolarHBondContact O-CE 3.25Å; P280-K312 WeakPolarHBondContact O-CE 3.46Å; Q281-K312 PolarHBondContact O-N 2.99Å
313G73.1Confident83.5Confident18 Ų1868.7 Ų68.719%0.18634%0.341CS..  trans78.4174.1-167.200000113.3N311N311-G313 PolarHBondContact O-N 3.49Å; N311-G313 PolarHBondContact OD1-N 3.33Å
314L61.7Low83.8Confident84 Ų8459.9 Ų59.944%0.4430%0.303SS..  trans-105.80180-63.6-177.9000111.9F31 R235F31-L314 HydrophobicContact CE1-CD2 3.4Å; F31-L314 VanDerWaalsContact CE1-CD2 3.4Å; F31-L314 HydrophobicContact CZ-CD2 3.5Å; F31-L314 VanDerWaalsContact CZ-CD2 3.5Å; R235-L314 PolarHBondContact NH2-OXT 3.03Å

Retrieved 314 of 314 residues in 240.2 ms (Link to these results)

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