A0A087XN61_POEFO Loading...

Scaffold protein ILK

AlphaFold DB , UniProt , Accession A0A087XN61, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 452 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
1M48.3Very low84.8Confident237 Ų23771.1 Ų71.1100%1.16736%0.361SS*.  0115.20-165.2173.7-78.400104.3
2D62.3Low85.5Confident109 Ų10970.7 Ų70.758%0.58336%0.36SS*.  trans-62.2148.9-175.2-56.9-48.3000110.3T6D2-T6 HydrophobicContact CB-CG2 4.28Å
3D85.9Confident86Confident93 Ų9367.2 Ų67.250%0.49735%0.349SS..  trans-59.5151.4-176.4-167.27.6000112F5 T6 Q7D3-F5 PolarHBondContact O-N 2.93Å; D3-F5 VanDerWaalsContact O-N 3.14Å; D3-F5 WeakPolarHBondContact OD2-CD2 3.39Å; D3-F5 WeakPolarHBondContact OD2-CE2 3.39Å; D3-T6 WeakPolarHBondContact O-CB 3.41Å; D3-T6 PolarHBondContact O-N 3.24Å; D3-Q7 PolarHBondContact O-N 3.31Å
4I89.8Confident86.4Confident8 Ų869.4 Ų69.44%0.04137%0.366CS..Hα-helixtrans-56.2-34.9-176.6-17657000111.6T6 Q7 C8 V16 W19 P37I4-T6 VanDerWaalsContact C-N 3.34Å; I4-T6 PolarHBondContact O-N 2.95Å; I4-Q7 PolarHBondContact O-N 2.96Å; I4-C8 PolarHBondContact O-N 3.29Å; I4-C8 PolarHBondContact O-SG 3.33Å; I4-C8 VanDerWaalsContact O-SG 3.38Å; I4-V16 HydrophobicContact CD1-CB 4.35Å; I4-V16 HydrophobicContact CD1-CG1 4.34Å; I4-V16 HydrophobicContact CD1-CG2 4.01Å; I4-W19 HydrophobicContact CB-CD2 3.99Å; I4-W19 HydrophobicContact CB-CG 4.25Å; I4-W19 HydrophobicContact CB-CZ2 4.03Å; I4-W19 HydrophobicContact CD1-CB 3.8Å; I4-W19 HydrophobicContact CD1-CD2 3.59Å; I4-W19 HydrophobicContact CD1-CE3 3.76Å; I4-W19 HydrophobicContact CD1-CG 3.62Å; I4-W19 HydrophobicContact CD1-CZ3 4.5Å; I4-W19 HydrophobicContact CG1-CD2 3.56Å; I4-W19 HydrophobicContact CG1-CE3 3.71Å; I4-W19 HydrophobicContact CG1-CG 4.03Å; I4-W19 HydrophobicContact CG1-CH2 4.15Å; I4-W19 HydrophobicContact CG1-CZ2 4.04Å; I4-W19 HydrophobicContact CG1-CZ3 4.01Å; I4-W19 HydrophobicContact CG2-CH2 4.31Å; I4-W19 HydrophobicContact CG2-CZ2 3.77Å; I4-P37 HydrophobicContact CG1-CG 4.39Å
5F91.5Very high86.7Confident23 Ų2366.6 Ų66.610%0.10136%0.357CS..Hα-helixtrans-63.4-40177.8-51.1-59.3000111.7D3 C8 R9 Q29 D31 F35 P37 W40D3-F5 PolarHBondContact O-N 2.93Å; D3-F5 VanDerWaalsContact O-N 3.14Å; D3-F5 WeakPolarHBondContact OD2-CD2 3.39Å; D3-F5 WeakPolarHBondContact OD2-CE2 3.39Å; F5-C8 PolarHBondContact O-N 3.48Å; F5-R9 VanDerWaalsContact O-CG 3.24Å; F5-R9 WeakPolarHBondContact O-CG 3.47Å; F5-R9 PolarHBondContact O-N 3.45Å; F5-Q29 WeakPolarHBondContact CE1-O 3.45Å; F5-D31 HydrophobicContact CD2-CB 3.8Å; F5-D31 HydrophobicContact CE1-CB 4.36Å; F5-D31 HydrophobicContact CE2-CB 3.64Å; F5-D31 HydrophobicContact CG-CB 4.28Å; F5-D31 HydrophobicContact CZ-CB 3.94Å; F5-D31 VanDerWaalsContact CZ-N 3.34Å; F5-F35 WeakPolarHBondContact CE1-O 3.41Å; F5-P37 HydrophobicContact CD1-CG 4.29Å; F5-P37 HydrophobicContact CE1-CG 4.02Å; F5-W40 AromaticContact CD1-CD1 3.7Å
6T92.1Very high86.9Confident49 Ų4962.4 Ų62.430%0.30134%0.335SS..Hα-helixtrans-63.2-45.3174.4-56.80000110.5D2 D3 I4 C8 R9 E10D2-T6 HydrophobicContact CB-CG2 4.28Å; D3-T6 WeakPolarHBondContact O-CB 3.41Å; D3-T6 PolarHBondContact O-N 3.24Å; I4-T6 VanDerWaalsContact C-N 3.34Å; I4-T6 PolarHBondContact O-N 2.95Å; T6-C8 VanDerWaalsContact C-N 3.31Å; T6-C8 PolarHBondContact O-N 3.4Å; T6-R9 WeakPolarHBondContact O-CB 3.19Å; T6-R9 PolarHBondContact O-N 2.9Å; T6-R9 VanDerWaalsContact O-N 3.11Å; T6-E10 HydrophobicContact CG2-CG 4.4Å; T6-E10 WeakPolarHBondContact O-CG 3.05Å; T6-E10 PolarHBondContact O-N 3.19Å
7Q92.8Very high86.9Confident18 Ų1867.2 Ų67.28%0.08435%0.347CS..Hα-helixtrans-62-38.6177.8-60.8-56.5-54.700112.3D3 I4 G11 N12 A15 V16D3-Q7 PolarHBondContact O-N 3.31Å; I4-Q7 PolarHBondContact O-N 2.96Å; Q7-G11 PolarHBondContact O-N 3.26Å; Q7-N12 PolarHBondContact O-N 3.5Å; Q7-N12 PolarHBondContact OE1-ND2 3.47Å; Q7-A15 HydrophobicContact CB-CB 4.26Å; Q7-A15 HydrophobicContact CG-CB 3.91Å; Q7-V16 HydrophobicContact CB-CG2 4.02Å
8C93.2Very high86.9Confident0 Ų070.1 Ų70.10%036%0.362CS..Hα-helixtrans-68-35.4174.1-72.10000113I4 F5 T6 W40 R46 V49I4-C8 PolarHBondContact O-N 3.29Å; I4-C8 PolarHBondContact O-SG 3.33Å; I4-C8 VanDerWaalsContact O-SG 3.38Å; F5-C8 PolarHBondContact O-N 3.48Å; T6-C8 VanDerWaalsContact C-N 3.31Å; T6-C8 PolarHBondContact O-N 3.4Å; C8-W40 HydrophobicContact CB-CB 4.3Å; C8-R46 WeakPolarHBondContact O-CG 3.47Å; C8-V49 HydrophobicContact CB-CG1 4.37Å
9R92.4Very high86.9Confident109 Ų10969.1 Ų69.141%0.41135%0.353SS..Hα-helixtrans-69.3-41.6175.7-72.8173.265.9-170.5-4.1112.3F5 T6 G11 W40 E44 R46F5-R9 VanDerWaalsContact O-CG 3.24Å; F5-R9 WeakPolarHBondContact O-CG 3.47Å; F5-R9 PolarHBondContact O-N 3.45Å; T6-R9 WeakPolarHBondContact O-CB 3.19Å; T6-R9 PolarHBondContact O-N 2.9Å; T6-R9 VanDerWaalsContact O-N 3.11Å; R9-G11 VanDerWaalsContact C-N 3.28Å; R9-G11 PolarHBondContact O-N 3.05Å; R9-W40 HydrophobicContact CG-CB 3.89Å; R9-W40 HydrophobicContact CG-CD2 3.85Å; R9-W40 HydrophobicContact CG-CE3 3.58Å; R9-W40 HydrophobicContact CG-CG 4.02Å; R9-W40 HydrophobicContact CG-CZ3 4.39Å; R9-E44 HydrophobicContact CB-CG 4.05Å; R9-E44 HydrophobicContact CG-CG 4.04Å; R9-R46 PolarHBondContact O-NE 3.08Å; R9-R46 PolarHBondContact O-NH2 3.09Å; R9-R46 VanDerWaalsContact O-NH2 3.08Å
10E92.5Very high86.6Confident110 Ų11066.8 Ų66.851%0.51434%0.342SS..Hα-helixtrans-74.9-21.1179-69.3179.4174.500112.5T6 R46T6-E10 HydrophobicContact CG2-CG 4.4Å; T6-E10 WeakPolarHBondContact O-CG 3.05Å; T6-E10 PolarHBondContact O-N 3.19Å; E10-R46 VanDerWaalsContact O-CZ 3.26Å; E10-R46 PolarHBondContact O-NE 3.32Å; E10-R46 PolarHBondContact O-NH2 3.12Å
11G92Very high86.2Confident26 Ų2667.6 Ų67.627%0.26835%0.347SS..THydrogen-bonded Turntrans82.222.8-178.900000113.3Q7 R9 A13Q7-G11 PolarHBondContact O-N 3.26Å; R9-G11 VanDerWaalsContact C-N 3.28Å; R9-G11 PolarHBondContact O-N 3.05Å; G11-A13 VanDerWaalsContact C-N 3.29Å; G11-A13 PolarHBondContact O-N 2.96Å
12N93.8Very high87.4Confident66 Ų6659.5 Ų59.535%0.35331%0.308SS..  trans-73.782.9178.5-172.7-10.8000110.9Q7 V14 A15 V16Q7-N12 PolarHBondContact O-N 3.5Å; Q7-N12 PolarHBondContact OE1-ND2 3.47Å; N12-V14 PolarHBondContact O-N 2.86Å; N12-V14 VanDerWaalsContact O-N 3.15Å; N12-V14 PolarHBondContact OD1-N 3.23Å; N12-A15 HydrophobicContact CB-CB 4.19Å; N12-A15 WeakPolarHBondContact ND2-CB 3.42Å; N12-A15 PolarHBondContact O-N 3.19Å; N12-A15 PolarHBondContact OD1-N 3.06Å; N12-A15 VanDerWaalsContact OD1-N 3.17Å; N12-V16 WeakPolarHBondContact O-CG2 3.22Å; N12-V16 PolarHBondContact O-N 2.92Å
13A91Very high87.3Confident26 Ų2659.1 Ų59.122%0.21531%0.31CS..Hα-helixtrans-59.4-27.2-177.500000113.4G11 R17 V49 M52G11-A13 VanDerWaalsContact C-N 3.29Å; G11-A13 PolarHBondContact O-N 2.96Å; A13-R17 VanDerWaalsContact O-CB 3.24Å; A13-R17 WeakPolarHBondContact O-CB 3.38Å; A13-R17 PolarHBondContact O-N 3.29Å; A13-V49 HydrophobicContact CB-CG2 4.42Å; A13-M52 HydrophobicContact CB-CE 3.96Å; A13-M52 WeakPolarHBondContact O-CE 3.49Å
14V91.6Very high86.2Confident98 Ų9862.9 Ų62.959%0.59432%0.324SS*.Hα-helixtrans-72.6-48.6178.9-1800000110.4N12 R17 L18N12-V14 PolarHBondContact O-N 2.86Å; N12-V14 VanDerWaalsContact O-N 3.15Å; N12-V14 PolarHBondContact OD1-N 3.23Å; V14-R17 PolarHBondContact O-N 2.86Å; V14-L18 HydrophobicContact CG1-CD1 4.19Å; V14-L18 WeakPolarHBondContact O-CG 2.91Å; V14-L18 PolarHBondContact O-N 2.95Å
15A91.4Very high85.5Confident27 Ų2765 Ų6522%0.22334%0.336CS..Hα-helixtrans-64.2-42.2177.300000111.7Q7 N12 R17 L18 W19Q7-A15 HydrophobicContact CB-CB 4.26Å; Q7-A15 HydrophobicContact CG-CB 3.91Å; N12-A15 HydrophobicContact CB-CB 4.19Å; N12-A15 WeakPolarHBondContact ND2-CB 3.42Å; N12-A15 PolarHBondContact O-N 3.19Å; N12-A15 PolarHBondContact OD1-N 3.06Å; N12-A15 VanDerWaalsContact OD1-N 3.17Å; A15-R17 VanDerWaalsContact C-N 3.33Å; A15-R17 PolarHBondContact O-N 2.76Å; A15-L18 PolarHBondContact O-N 3.39Å; A15-W19 WeakPolarHBondContact O-CB 3.46Å; A15-W19 PolarHBondContact O-N 2.88Å
16V90.5Very high84.5Confident0 Ų066.3 Ų66.30%034%0.344CS..Hα-helixtrans-60.9-43175.3175.80000110.8I4 Q7 N12 W19 L20 V49 M52 L53I4-V16 HydrophobicContact CD1-CB 4.35Å; I4-V16 HydrophobicContact CD1-CG1 4.34Å; I4-V16 HydrophobicContact CD1-CG2 4.01Å; Q7-V16 HydrophobicContact CB-CG2 4.02Å; N12-V16 WeakPolarHBondContact O-CG2 3.22Å; N12-V16 PolarHBondContact O-N 2.92Å; V16-W19 PolarHBondContact O-N 3.38Å; V16-L20 HydrophobicContact CG1-CD1 3.68Å; V16-L20 HydrophobicContact CG1-CG 4.19Å; V16-L20 WeakPolarHBondContact O-CB 3.29Å; V16-L20 WeakPolarHBondContact O-CG 3.42Å; V16-L20 PolarHBondContact O-N 3.2Å; V16-V49 HydrophobicContact CG1-CG1 4.18Å; V16-V49 HydrophobicContact CG2-CG1 4.18Å; V16-V49 HydrophobicContact CG2-CG2 4.5Å; V16-M52 HydrophobicContact CG1-SD 4.19Å; V16-L53 HydrophobicContact CG1-CD2 4.39Å
17R86.3Confident83.7Confident143 Ų14365.2 Ų65.254%0.5434%0.336SS..Hα-helixtrans-60.9-50.6176.4-173.1-173.9-56.8-156-0.4112.1A13 V14 A15 W19 L20 D21 M52A13-R17 VanDerWaalsContact O-CB 3.24Å; A13-R17 WeakPolarHBondContact O-CB 3.38Å; A13-R17 PolarHBondContact O-N 3.29Å; V14-R17 PolarHBondContact O-N 2.86Å; A15-R17 VanDerWaalsContact C-N 3.33Å; A15-R17 PolarHBondContact O-N 2.76Å; R17-W19 PolarHBondContact O-N 2.65Å; R17-L20 PolarHBondContact O-N 2.82Å; R17-L20 VanDerWaalsContact O-N 3.08Å; R17-D21 VanDerWaalsContact O-CG 3.23Å; R17-D21 PolarHBondContact O-N 3.34Å; R17-M52 HydrophobicContact CB-CE 4.14Å; R17-M52 HydrophobicContact CB-SD 3.7Å; R17-M52 HydrophobicContact CG-SD 4.29Å
18L86.6Confident82.8Confident119 Ų11965.9 Ų65.962%0.62334%0.34SS*.Hα-helixtrans-58.8-38.5178.8-74.3169.1000111.7V14 A15V14-L18 HydrophobicContact CG1-CD1 4.19Å; V14-L18 WeakPolarHBondContact O-CG 2.91Å; V14-L18 PolarHBondContact O-N 2.95Å; A15-L18 PolarHBondContact O-N 3.39Å
19W87.1Confident82Confident52 Ų5271.5 Ų71.520%0.19737%0.366CS..Hα-helixtrans-67.4-41.9175.2-174.493.9000112I4 A15 V16 R17 D21 N22 N25 D26 L27I4-W19 HydrophobicContact CB-CD2 3.99Å; I4-W19 HydrophobicContact CB-CG 4.25Å; I4-W19 HydrophobicContact CB-CZ2 4.03Å; I4-W19 HydrophobicContact CD1-CB 3.8Å; I4-W19 HydrophobicContact CD1-CD2 3.59Å; I4-W19 HydrophobicContact CD1-CE3 3.76Å; I4-W19 HydrophobicContact CD1-CG 3.62Å; I4-W19 HydrophobicContact CD1-CZ3 4.5Å; I4-W19 HydrophobicContact CG1-CD2 3.56Å; I4-W19 HydrophobicContact CG1-CE3 3.71Å; I4-W19 HydrophobicContact CG1-CG 4.03Å; I4-W19 HydrophobicContact CG1-CH2 4.15Å; I4-W19 HydrophobicContact CG1-CZ2 4.04Å; I4-W19 HydrophobicContact CG1-CZ3 4.01Å; I4-W19 HydrophobicContact CG2-CH2 4.31Å; I4-W19 HydrophobicContact CG2-CZ2 3.77Å; A15-W19 WeakPolarHBondContact O-CB 3.46Å; A15-W19 PolarHBondContact O-N 2.88Å; V16-W19 PolarHBondContact O-N 3.38Å; R17-W19 PolarHBondContact O-N 2.65Å; W19-D21 VanDerWaalsContact C-N 3.3Å; W19-D21 PolarHBondContact O-N 2.89Å; W19-N22 PolarHBondContact O-N 3.21Å; W19-N25 VanDerWaalsContact CD1-ND2 3.27Å; W19-N25 HydrophobicContact CD2-CB 3.89Å; W19-N25 HydrophobicContact CE3-CB 4.06Å; W19-N25 HydrophobicContact CH2-CB 3.74Å; W19-N25 HydrophobicContact CZ2-CB 3.52Å; W19-N25 HydrophobicContact CZ3-CB 3.99Å; W19-N25 PolarHBondContact NE1-ND2 3.49Å; W19-N25 PolarHBondContact O-ND2 3.07Å; W19-D26 WeakPolarHBondContact CH2-O 3.48Å; W19-L27 HydrophobicContact CZ3-CB 3.96Å
20L80.4Confident81.3Confident23 Ų2367.2 Ų67.212%0.1236%0.356CS..Hα-helixtrans-69.1-25.9177.7-70.6169.8000113.5V16 R17 N22 L27 M52 L53 R56V16-L20 HydrophobicContact CG1-CD1 3.68Å; V16-L20 HydrophobicContact CG1-CG 4.19Å; V16-L20 WeakPolarHBondContact O-CB 3.29Å; V16-L20 WeakPolarHBondContact O-CG 3.42Å; V16-L20 PolarHBondContact O-N 3.2Å; R17-L20 PolarHBondContact O-N 2.82Å; R17-L20 VanDerWaalsContact O-N 3.08Å; L20-N22 PolarHBondContact O-N 3.17Å; L20-L27 HydrophobicContact CD2-CB 3.52Å; L20-L27 HydrophobicContact CD2-CD2 4.07Å; L20-L27 HydrophobicContact CD2-CG 4.4Å; L20-M52 HydrophobicContact CD1-CG 3.89Å; L20-M52 HydrophobicContact CD1-SD 3.92Å; L20-L53 HydrophobicContact CD1-CD2 4.02Å; L20-L53 HydrophobicContact CD2-CD2 4.08Å; L20-R56 HydrophobicContact CD1-CB 4.47Å; L20-R56 HydrophobicContact CD1-CG 4.09Å
21D78.7Confident80.8Confident84 Ų8463.5 Ų63.545%0.44934%0.34SS..Hα-helixtrans-74.6-15.8177.1-68-22.8000112R17 W19 R56R17-D21 VanDerWaalsContact O-CG 3.23Å; R17-D21 PolarHBondContact O-N 3.34Å; W19-D21 VanDerWaalsContact C-N 3.3Å; W19-D21 PolarHBondContact O-N 2.89Å; D21-R56 IonicContact OD1-CZ 3.38Å; D21-R56 IonicContact OD1-NH2 3.74Å; D21-R56 PolarHBondContact OD1-NH2 3.33Å
22N74.1Confident80.3Confident67 Ų6768.5 Ų68.536%0.35836%0.36SS..SBendtrans-83.2114.4169.6-178.4-0.1000110.6W19 L20 E24 N25W19-N22 PolarHBondContact O-N 3.21Å; L20-N22 PolarHBondContact O-N 3.17Å; N22-E24 PolarHBondContact O-N 3.35Å; N22-E24 PolarHBondContact OD1-N 3.12Å; N22-N25 WeakPolarHBondContact O-CB 3.22Å; N22-N25 PolarHBondContact O-N 3.21Å; N22-N25 VanDerWaalsContact O-N 3.14Å
23T59.6Low79.6Confident101 Ų10171.2 Ų71.262%0.6237%0.371SS*.THydrogen-bonded Turntrans-69.3-11.8-176.953.70000115.1N25T23-N25 VanDerWaalsContact C-N 3.26Å
24E63.7Low79.1Confident171 Ų17170.2 Ų70.280%0.79936%0.363SS*.THydrogen-bonded Turntrans-75.3-19.2173.4-63.1-175.7162.400112.4N22N22-E24 PolarHBondContact O-N 3.35Å; N22-E24 PolarHBondContact OD1-N 3.12Å
25N73.6Confident78.8Confident52 Ų5267.3 Ų67.328%0.27834%0.343SS..  trans-84.3126.6-175.8-72-27.5000111.8W19 N22 T23 L27W19-N25 VanDerWaalsContact CD1-ND2 3.27Å; W19-N25 HydrophobicContact CD2-CB 3.89Å; W19-N25 HydrophobicContact CE3-CB 4.06Å; W19-N25 HydrophobicContact CH2-CB 3.74Å; W19-N25 HydrophobicContact CZ2-CB 3.52Å; W19-N25 HydrophobicContact CZ3-CB 3.99Å; W19-N25 PolarHBondContact NE1-ND2 3.49Å; W19-N25 PolarHBondContact O-ND2 3.07Å; N22-N25 WeakPolarHBondContact O-CB 3.22Å; N22-N25 PolarHBondContact O-N 3.21Å; N22-N25 VanDerWaalsContact O-N 3.14Å; T23-N25 VanDerWaalsContact C-N 3.26Å; N25-L27 PolarHBondContact O-N 3.2Å
26D70.3Confident78.6Confident51 Ų5166 Ų6627%0.27333%0.332SS..  trans-91.8102.8173.4-176.5-1.8000110.4W19 N28 Q29W19-D26 WeakPolarHBondContact CH2-O 3.48Å; D26-N28 PolarHBondContact O-N 3.38Å; D26-N28 WeakPolarHBondContact OD1-CA 3.34Å; D26-N28 WeakPolarHBondContact OD1-CB 3.47Å; D26-N28 PolarHBondContact OD1-N 3.24Å; D26-Q29 HydrophobicContact CB-CB 4.14Å; D26-Q29 WeakPolarHBondContact O-CB 3.47Å; D26-Q29 PolarHBondContact O-N 3.33Å
27L75.9Confident78.7Confident27 Ų2766 Ų6614%0.14133%0.332CS..THydrogen-bonded Turntrans-62.6-7.8177.168.697.9000114.8W19 L20 N25 P37 R56 A58W19-L27 HydrophobicContact CZ3-CB 3.96Å; L20-L27 HydrophobicContact CD2-CB 3.52Å; L20-L27 HydrophobicContact CD2-CD2 4.07Å; L20-L27 HydrophobicContact CD2-CG 4.4Å; N25-L27 PolarHBondContact O-N 3.2Å; L27-P37 VanDerWaalsContact O-CD 3.3Å; L27-P37 WeakPolarHBondContact O-CD 3.48Å; L27-R56 HydrophobicContact CD2-CB 4.23Å; L27-R56 WeakPolarHBondContact CD2-O 3.14Å; L27-A58 HydrophobicContact CD1-CB 3.62Å
28N74.9Confident79Confident32 Ų3259.3 Ų59.317%0.17131%0.307CS..THydrogen-bonded Turntrans-103.81173-60.7-68.9000113.3D26 G30 R59D26-N28 PolarHBondContact O-N 3.38Å; D26-N28 WeakPolarHBondContact OD1-CA 3.34Å; D26-N28 WeakPolarHBondContact OD1-CB 3.47Å; D26-N28 PolarHBondContact OD1-N 3.24Å; N28-G30 PolarHBondContact O-N 2.84Å; N28-R59 WeakPolarHBondContact OD1-CB 3.41Å; N28-R59 WeakPolarHBondContact OD1-CG 3.46Å; N28-R59 PolarHBondContact OD1-N 2.9Å
29Q75Confident79.4Confident117 Ų11753.6 Ų53.655%0.54728%0.277SS..  trans-64.8127.5174.1-175.5170.61.800109.7F5 D26 P37F5-Q29 WeakPolarHBondContact CE1-O 3.45Å; D26-Q29 HydrophobicContact CB-CB 4.14Å; D26-Q29 WeakPolarHBondContact O-CB 3.47Å; D26-Q29 PolarHBondContact O-N 3.33Å; Q29-P37 WeakPolarHBondContact O-CD 3.28Å
30G78.5Confident79.8Confident19 Ų1952.8 Ų52.820%0.19627%0.274CS..  trans-89.1156.317400000111.7N28 F35N28-G30 PolarHBondContact O-N 2.84Å; G30-F35 CarbonylContact C-O 3.38Å; G30-F35 VanDerWaalsContact CA-O 3.25Å; G30-F35 WeakPolarHBondContact CA-O 3.4Å
31D82.9Confident80.5Confident33 Ų3351.7 Ų51.718%0.17627%0.268CS..  trans-65.8-172.6167.269.47.9000112.1F5 H33 G34 F35 W40F5-D31 HydrophobicContact CD2-CB 3.8Å; F5-D31 HydrophobicContact CE1-CB 4.36Å; F5-D31 HydrophobicContact CE2-CB 3.64Å; F5-D31 HydrophobicContact CG-CB 4.28Å; F5-D31 HydrophobicContact CZ-CB 3.94Å; F5-D31 VanDerWaalsContact CZ-N 3.34Å; D31-H33 PolarHBondContact O-N 2.8Å; D31-H33 WeakPolarHBondContact OD1-CA 3.4Å; D31-H33 PolarHBondContact OD1-N 3.05Å; D31-G34 WeakPolarHBondContact O-CA 3.49Å; D31-G34 PolarHBondContact O-N 3.07Å; D31-G34 PolarHBondContact OD1-N 3.12Å; D31-F35 PolarHBondContact N-O 3.08Å; D31-F35 PolarHBondContact OD1-N 3.39Å; D31-W40 VanDerWaalsContact OD2-CZ2 3.31Å; D31-W40 WeakPolarHBondContact OD2-CZ2 3.34Å; D31-W40 PolarHBondContact OD2-NE1 3.07Å; D31-W40 VanDerWaalsContact OD2-NE1 3.07Å
32D80.8Confident81.4Confident130 Ų13047.7 Ų47.770%0.69525%0.246SC*.THydrogen-bonded Turntrans-57-22.5178.6-71-24.9000113.5R65D32-R65 PolarHBondContact O-NE 2.93Å; D32-R65 PolarHBondContact O-NH1 3.39Å; D32-R65 PolarHBondContact O-NH2 3.33Å
33H79.3Confident82.4Confident123 Ų12348.3 Ų48.357%0.56924%0.244SC*.THydrogen-bonded Turntrans-1003177.8-58.386.7000112.5D31 F35 R65D31-H33 PolarHBondContact O-N 2.8Å; D31-H33 WeakPolarHBondContact OD1-CA 3.4Å; D31-H33 PolarHBondContact OD1-N 3.05Å; H33-F35 HydrophobicContact CB-CD2 3.67Å; H33-F35 HydrophobicContact CB-CE2 3.89Å; H33-R65 WeakPolarHBondContact O-CB 3.39Å; H33-R65 VanDerWaalsContact O-CG 3.3Å; H33-R65 WeakPolarHBondContact O-CG 3.34Å; H33-R65 PolarHBondContact O-N 3.08Å; H33-R65 VanDerWaalsContact O-N 3.14Å
34G79.3Confident84.2Confident5 Ų546.4 Ų46.45%0.05223%0.228CC..  trans81.411.5-179.500000114.3D31 S36 N64D31-G34 WeakPolarHBondContact O-CA 3.49Å; D31-G34 PolarHBondContact O-N 3.07Å; D31-G34 PolarHBondContact OD1-N 3.12Å; G34-S36 PolarHBondContact O-N 3.11Å; G34-N64 WeakPolarHBondContact O-CA 3.49Å
35F85.3Confident85.7Confident38 Ų3839.3 Ų39.317%0.16720%0.201CC..  trans-78.1115175.9-72.7-110.6000109.6F5 G30 D31 H33 H39 W40 N64 L73F5-F35 WeakPolarHBondContact CE1-O 3.41Å; G30-F35 CarbonylContact C-O 3.38Å; G30-F35 VanDerWaalsContact CA-O 3.25Å; G30-F35 WeakPolarHBondContact CA-O 3.4Å; D31-F35 PolarHBondContact N-O 3.08Å; D31-F35 PolarHBondContact OD1-N 3.39Å; H33-F35 HydrophobicContact CB-CD2 3.67Å; H33-F35 HydrophobicContact CB-CE2 3.89Å; F35-H39 HydrophobicContact CB-CB 4.1Å; F35-H39 HydrophobicContact CD1-CB 3.76Å; F35-H39 HydrophobicContact CG-CB 4.34Å; F35-W40 HydrophobicContact CB-CZ2 4.19Å; F35-W40 VanDerWaalsContact CB-NE1 3.33Å; F35-W40 HydrophobicContact CD1-CZ2 4.42Å; F35-W40 HydrophobicContact CG-CZ2 4.22Å; F35-N64 HydrophobicContact CD2-CB 4.03Å; F35-N64 HydrophobicContact CE2-CB 4.11Å; F35-N64 VanDerWaalsContact CE2-ND2 3.34Å; F35-N64 WeakPolarHBondContact CE2-ND2 3.29Å; F35-N64 HydrophobicContact CG-CB 4.35Å; F35-N64 HydrophobicContact CZ-CB 4.48Å; F35-N64 WeakPolarHBondContact CZ-ND2 3.25Å; F35-L73 HydrophobicContact CD1-CD1 3.87Å; F35-L73 HydrophobicContact CE1-CD1 3.63Å; F35-L73 HydrophobicContact CE1-CD2 4.25Å
36S88.1Confident86.8Confident0 Ų041.4 Ų41.40%021%0.205CC..  trans-70.2165171.273.50000112.1G34 L38 H39 W40G34-S36 PolarHBondContact O-N 3.11Å; S36-L38 PolarHBondContact O-N 3.29Å; S36-L38 VanDerWaalsContact O-N 3.17Å; S36-L38 PolarHBondContact OG-N 3.46Å; S36-H39 PolarHBondContact N-ND1 3.41Å; S36-H39 WeakPolarHBondContact O-CB 3.39Å; S36-H39 PolarHBondContact O-N 3.41Å; S36-H39 PolarHBondContact OG-N 3.12Å; S36-H39 PolarHBondContact OG-ND1 3.27Å; S36-W40 PolarHBondContact O-N 3.48Å
37P91.5Very high88Confident0 Ų040 Ų400%020%0.199CC..Hα-helixtrans-52.5-36.9172.4-27.637.5000112.6I4 F5 L27 Q29 W40 A41 L53I4-P37 HydrophobicContact CG1-CG 4.39Å; F5-P37 HydrophobicContact CD1-CG 4.29Å; F5-P37 HydrophobicContact CE1-CG 4.02Å; L27-P37 VanDerWaalsContact O-CD 3.3Å; L27-P37 WeakPolarHBondContact O-CD 3.48Å; Q29-P37 WeakPolarHBondContact O-CD 3.28Å; P37-W40 PolarHBondContact O-N 2.79Å; P37-A41 WeakPolarHBondContact O-CB 3.47Å; P37-A41 PolarHBondContact O-N 3.21Å; P37-L53 HydrophobicContact CB-CD1 3.98Å; P37-L53 HydrophobicContact CB-CD2 4.06Å
38L93.6Very high88.8Confident1 Ų144.7 Ų44.71%0.00522%0.224CC..Hα-helixtrans-66.3-39.1177.4-175.562.5000112.1S36 W40 A41 C42 V50 L53 I54 A58 I60 P70S36-L38 PolarHBondContact O-N 3.29Å; S36-L38 VanDerWaalsContact O-N 3.17Å; S36-L38 PolarHBondContact OG-N 3.46Å; L38-W40 VanDerWaalsContact C-N 3.33Å; L38-W40 PolarHBondContact O-N 3.29Å; L38-A41 PolarHBondContact O-N 2.98Å; L38-C42 VanDerWaalsContact O-CB 3.26Å; L38-C42 WeakPolarHBondContact O-CB 3.49Å; L38-C42 PolarHBondContact O-N 3.4Å; L38-C42 PolarHBondContact O-SG 3.44Å; L38-V50 HydrophobicContact CD1-CG1 4.11Å; L38-V50 HydrophobicContact CD1-CG2 4.39Å; L38-L53 HydrophobicContact CB-CD1 4.32Å; L38-L53 HydrophobicContact CD1-CB 4.24Å; L38-L53 HydrophobicContact CD1-CD1 4.41Å; L38-I54 HydrophobicContact CD1-CG1 4.21Å; L38-A58 HydrophobicContact CB-CB 4.25Å; L38-A58 HydrophobicContact CD2-CB 3.92Å; L38-I60 HydrophobicContact CD2-CD1 4.39Å; L38-P70 HydrophobicContact CB-CG 4.41Å; L38-P70 HydrophobicContact CD2-CB 4.2Å; L38-P70 HydrophobicContact CD2-CG 3.84Å; L38-P70 HydrophobicContact CG-CB 4Å; L38-P70 HydrophobicContact CG-CG 3.89Å
39H94.1Very high89.8Confident0 Ų043.2 Ų43.20%022%0.216CC..Hα-helixtrans-58.9-47.2174.8-71.9100.1000111.4F35 S36 C42 R43 V62 D68 L73F35-H39 HydrophobicContact CB-CB 4.1Å; F35-H39 HydrophobicContact CD1-CB 3.76Å; F35-H39 HydrophobicContact CG-CB 4.34Å; S36-H39 PolarHBondContact N-ND1 3.41Å; S36-H39 WeakPolarHBondContact O-CB 3.39Å; S36-H39 PolarHBondContact O-N 3.41Å; S36-H39 PolarHBondContact OG-N 3.12Å; S36-H39 PolarHBondContact OG-ND1 3.27Å; H39-C42 PolarHBondContact O-N 3.48Å; H39-R43 VanDerWaalsContact O-CB 3.31Å; H39-R43 WeakPolarHBondContact O-CB 3.49Å; H39-R43 PolarHBondContact O-N 3.19Å; H39-V62 VanDerWaalsContact CE1-CG1 3.48Å; H39-V62 WeakPolarHBondContact CE1-CG1 3.29Å; H39-V62 PolarHBondContact NE2-O 3.36Å; H39-D68 PolarHBondContact NE2-O 2.85Å; H39-D68 VanDerWaalsContact NE2-O 3.07Å; H39-L73 HydrophobicContact CB-CD1 3.63Å
40W95.5Very high90.8Very high34 Ų3437.6 Ų37.613%0.12919%0.19CC..Hα-helixtrans-65.4-44.2-179.8-74.7116000112.3F5 C8 R9 D31 F35 S36 P37 L38 C42 R43 E44F5-W40 AromaticContact CD1-CD1 3.7Å; C8-W40 HydrophobicContact CB-CB 4.3Å; R9-W40 HydrophobicContact CG-CB 3.89Å; R9-W40 HydrophobicContact CG-CD2 3.85Å; R9-W40 HydrophobicContact CG-CE3 3.58Å; R9-W40 HydrophobicContact CG-CG 4.02Å; R9-W40 HydrophobicContact CG-CZ3 4.39Å; D31-W40 VanDerWaalsContact OD2-CZ2 3.31Å; D31-W40 WeakPolarHBondContact OD2-CZ2 3.34Å; D31-W40 PolarHBondContact OD2-NE1 3.07Å; D31-W40 VanDerWaalsContact OD2-NE1 3.07Å; F35-W40 HydrophobicContact CB-CZ2 4.19Å; F35-W40 VanDerWaalsContact CB-NE1 3.33Å; F35-W40 HydrophobicContact CD1-CZ2 4.42Å; F35-W40 HydrophobicContact CG-CZ2 4.22Å; S36-W40 PolarHBondContact O-N 3.48Å; P37-W40 PolarHBondContact O-N 2.79Å; L38-W40 VanDerWaalsContact C-N 3.33Å; L38-W40 PolarHBondContact O-N 3.29Å; W40-C42 VanDerWaalsContact C-N 3.33Å; W40-C42 PolarHBondContact O-N 3Å; W40-R43 PolarHBondContact O-N 2.97Å; W40-E44 WeakPolarHBondContact O-CG 3.49Å; W40-E44 PolarHBondContact O-N 3.38Å
41A96.1Very high91.3Very high0 Ų039.2 Ų39.20%019%0.194CC..Hα-helixtrans-62.1-40.7176.300000112.1P37 L38 G45 R46 V49 V50 L53P37-A41 WeakPolarHBondContact O-CB 3.47Å; P37-A41 PolarHBondContact O-N 3.21Å; L38-A41 PolarHBondContact O-N 2.98Å; A41-G45 PolarHBondContact O-N 2.69Å; A41-R46 HydrophobicContact CB-CB 4.41Å; A41-R46 PolarHBondContact O-N 3.29Å; A41-V49 HydrophobicContact CB-CB 4.18Å; A41-V49 HydrophobicContact CB-CG1 3.74Å; A41-V50 HydrophobicContact CB-CG2 3.68Å; A41-L53 HydrophobicContact CB-CD1 4.01Å
42C96.8Very high91.7Very high0 Ų038.8 Ų38.80%019%0.191CC..Hα-helixtrans-68.7-40.2176.5-73.20000112.8L38 H39 W40 P70 A74 H79 I82L38-C42 VanDerWaalsContact O-CB 3.26Å; L38-C42 WeakPolarHBondContact O-CB 3.49Å; L38-C42 PolarHBondContact O-N 3.4Å; L38-C42 PolarHBondContact O-SG 3.44Å; H39-C42 PolarHBondContact O-N 3.48Å; W40-C42 VanDerWaalsContact C-N 3.33Å; W40-C42 PolarHBondContact O-N 3Å; C42-P70 HydrophobicContact CB-CB 4.15Å; C42-A74 HydrophobicContact CB-CB 4.19Å; C42-H79 PolarHBondContact O-CD2 3.42Å; C42-I82 HydrophobicContact CB-CG2 4.21Å
43R96.1Very high92Very high80 Ų8032.6 Ų32.630%0.30216%0.158SC..Hα-helixtrans-63.7-44177.8-173.2-174.2-178.3-109.76.1112.1H39 W40 L73 H77 H79H39-R43 VanDerWaalsContact O-CB 3.31Å; H39-R43 WeakPolarHBondContact O-CB 3.49Å; H39-R43 PolarHBondContact O-N 3.19Å; W40-R43 PolarHBondContact O-N 2.97Å; R43-L73 HydrophobicContact CB-CB 4.13Å; R43-L73 HydrophobicContact CB-CD1 4.32Å; R43-H77 WeakPolarHBondContact CG-NE2 3.12Å; R43-H79 PolarHBondContact O-CD2 3.5Å; R43-H79 PolarHBondContact O-NE2 3.39Å
44E96.5Very high92.2Very high61 Ų6128.3 Ų28.329%0.28514%0.139SC..THydrogen-bonded Turntrans-89.13.3-175.1-58.6-58.9151.500113.7R9 W40 R46R9-E44 HydrophobicContact CB-CG 4.05Å; R9-E44 HydrophobicContact CG-CG 4.04Å; W40-E44 WeakPolarHBondContact O-CG 3.49Å; W40-E44 PolarHBondContact O-N 3.38Å; E44-R46 HydrophobicContact CB-CG 4.06Å
45G95.7Very high92.2Very high22 Ų2235.8 Ų35.823%0.22718%0.175CC..THydrogen-bonded Turntrans73.627.5175.600000114.1A41 S47 H79A41-G45 PolarHBondContact O-N 2.69Å; G45-S47 PolarHBondContact O-N 2.96Å; G45-S47 VanDerWaalsContact O-N 3.1Å; G45-H79 VanDerWaalsContact CA-CE1 3.44Å; G45-H79 WeakPolarHBondContact CA-CE1 3.46Å; G45-H79 WeakPolarHBondContact CA-NE2 3.22Å; G45-H79 PolarHBondContact N-NE2 3.05Å
46R96.8Very high91.7Very high97 Ų9739 Ų3937%0.36619%0.186SC..  trans-87.971.5-175-55.3-51.4-171.4177.9-0.1111.7C8 R9 E10 A41 E44 N48 V49 V50C8-R46 WeakPolarHBondContact O-CG 3.47Å; R9-R46 PolarHBondContact O-NE 3.08Å; R9-R46 PolarHBondContact O-NH2 3.09Å; R9-R46 VanDerWaalsContact O-NH2 3.08Å; E10-R46 VanDerWaalsContact O-CZ 3.26Å; E10-R46 PolarHBondContact O-NE 3.32Å; E10-R46 PolarHBondContact O-NH2 3.12Å; A41-R46 HydrophobicContact CB-CB 4.41Å; A41-R46 PolarHBondContact O-N 3.29Å; E44-R46 HydrophobicContact CB-CG 4.06Å; R46-N48 VanDerWaalsContact C-N 3.3Å; R46-N48 PolarHBondContact O-N 3.37Å; R46-N48 VanDerWaalsContact O-N 3.17Å; R46-V49 HydrophobicContact CB-CB 3.99Å; R46-V49 HydrophobicContact CB-CG2 4.2Å; R46-V49 WeakPolarHBondContact O-CA 3.38Å; R46-V49 PolarHBondContact O-N 3.41Å; R46-V50 PolarHBondContact O-N 3.46Å
47S94.8Very high90.8Very high22 Ų2239.6 Ų39.615%0.15419%0.192CC..Hα-helixtrans-54-40.2-172.2-45.70000114.2G45 V49 V50 D51 D81G45-S47 PolarHBondContact O-N 2.96Å; G45-S47 VanDerWaalsContact O-N 3.1Å; S47-V49 VanDerWaalsContact C-N 3.34Å; S47-V49 PolarHBondContact O-N 2.96Å; S47-V50 PolarHBondContact O-N 3.41Å; S47-D51 VanDerWaalsContact O-CG 3.24Å; S47-D51 PolarHBondContact O-N 3.04Å; S47-D81 VanDerWaalsContact CB-OD2 3.3Å; S47-D81 WeakPolarHBondContact CB-OD2 3.47Å; S47-D81 PolarHBondContact OG-OD2 2.96Å
48N93.8Very high90Very high124 Ų12439.8 Ų39.866%0.66319%0.194SC*.Hα-helixtrans-65.2-36.4177.3-65.1-12.9000112.8R46 M52R46-N48 VanDerWaalsContact C-N 3.3Å; R46-N48 PolarHBondContact O-N 3.37Å; R46-N48 VanDerWaalsContact O-N 3.17Å; N48-M52 WeakPolarHBondContact O-CB 3.36Å; N48-M52 PolarHBondContact O-N 3.04Å
49V95.7Very high89Confident1 Ų141.7 Ų41.71%0.00620%0.201CC..Hα-helixtrans-74.7-39.8177.2175.40000110C8 A13 V16 A41 R46 S47 M52 L53C8-V49 HydrophobicContact CB-CG1 4.37Å; A13-V49 HydrophobicContact CB-CG2 4.42Å; V16-V49 HydrophobicContact CG1-CG1 4.18Å; V16-V49 HydrophobicContact CG2-CG1 4.18Å; V16-V49 HydrophobicContact CG2-CG2 4.5Å; A41-V49 HydrophobicContact CB-CB 4.18Å; A41-V49 HydrophobicContact CB-CG1 3.74Å; R46-V49 HydrophobicContact CB-CB 3.99Å; R46-V49 HydrophobicContact CB-CG2 4.2Å; R46-V49 WeakPolarHBondContact O-CA 3.38Å; R46-V49 PolarHBondContact O-N 3.41Å; S47-V49 VanDerWaalsContact C-N 3.34Å; S47-V49 PolarHBondContact O-N 2.96Å; V49-M52 PolarHBondContact O-N 3.15Å; V49-L53 HydrophobicContact CG1-CD1 3.77Å; V49-L53 HydrophobicContact CG1-CG 4.2Å; V49-L53 WeakPolarHBondContact O-CB 3.3Å; V49-L53 VanDerWaalsContact O-CG 3.26Å; V49-L53 WeakPolarHBondContact O-CG 3.42Å; V49-L53 PolarHBondContact O-N 3.2Å
50V95.1Very high88.4Confident0 Ų042.9 Ų42.90%021%0.207CC..Hα-helixtrans-56.9-50.3172.91710000110.8L38 A41 R46 S47 M52 L53 I54 I82L38-V50 HydrophobicContact CD1-CG1 4.11Å; L38-V50 HydrophobicContact CD1-CG2 4.39Å; A41-V50 HydrophobicContact CB-CG2 3.68Å; R46-V50 PolarHBondContact O-N 3.46Å; S47-V50 PolarHBondContact O-N 3.41Å; V50-M52 VanDerWaalsContact C-N 3.31Å; V50-M52 PolarHBondContact O-N 2.99Å; V50-L53 PolarHBondContact O-N 3.43Å; V50-I54 HydrophobicContact CG1-CD1 3.58Å; V50-I54 HydrophobicContact CG1-CG1 4.21Å; V50-I54 WeakPolarHBondContact O-CB 3.23Å; V50-I54 VanDerWaalsContact O-CG1 3.27Å; V50-I54 WeakPolarHBondContact O-CG1 3.3Å; V50-I54 PolarHBondContact O-N 3.39Å; V50-I82 HydrophobicContact CG1-CG2 4.23Å; V50-I82 HydrophobicContact CG2-CD1 3.99Å; V50-I82 HydrophobicContact CG2-CG1 4.32Å; V50-I82 HydrophobicContact CG2-CG2 4.23Å
51D90.1Very high87.6Confident52 Ų5244.5 Ų44.528%0.27822%0.218SC..Hα-helixtrans-56.5-47.7178.7-69.9-21.2000111.4S47 L53 I54 M55 K85S47-D51 VanDerWaalsContact O-CG 3.24Å; S47-D51 PolarHBondContact O-N 3.04Å; D51-L53 PolarHBondContact O-N 3.29Å; D51-I54 PolarHBondContact O-N 3.36Å; D51-M55 WeakPolarHBondContact O-CB 3.38Å; D51-M55 WeakPolarHBondContact O-CG 3.47Å; D51-M55 PolarHBondContact O-N 3.03Å; D51-K85 WeakPolarHBondContact OD1-CD 3.34Å; D51-K85 WeakPolarHBondContact OD1-CE 3.48Å; D51-K85 IonicContact OD1-NZ 2.96Å; D51-K85 PolarHBondContact OD1-NZ 3Å; D51-K85 IonicContact OD2-NZ 3.38Å; D51-K85 PolarHBondContact OD2-NZ 3.48Å
52M90.6Very high86.8Confident25 Ų2545.5 Ų45.512%0.12323%0.225CC..Hα-helixtrans-61.7-45.7179.6-170.9-176.7-54.500112.1A13 V16 R17 L20 N48 V49 V50 M55 R56A13-M52 HydrophobicContact CB-CE 3.96Å; A13-M52 WeakPolarHBondContact O-CE 3.49Å; V16-M52 HydrophobicContact CG1-SD 4.19Å; R17-M52 HydrophobicContact CB-CE 4.14Å; R17-M52 HydrophobicContact CB-SD 3.7Å; R17-M52 HydrophobicContact CG-SD 4.29Å; L20-M52 HydrophobicContact CD1-CG 3.89Å; L20-M52 HydrophobicContact CD1-SD 3.92Å; N48-M52 WeakPolarHBondContact O-CB 3.36Å; N48-M52 PolarHBondContact O-N 3.04Å; V49-M52 PolarHBondContact O-N 3.15Å; V50-M52 VanDerWaalsContact C-N 3.31Å; V50-M52 PolarHBondContact O-N 2.99Å; M52-M55 PolarHBondContact O-N 2.86Å; M52-R56 WeakPolarHBondContact O-CB 3.35Å; M52-R56 WeakPolarHBondContact O-CG 3.35Å; M52-R56 PolarHBondContact O-N 2.97Å
53L87.3Confident86Confident0 Ų048.7 Ų48.70%024%0.24CC..Hα-helixtrans-64.1-43.9178.9-72.8171.4000111.3V16 L20 P37 L38 A41 V49 V50 D51 R56 G57 A58V16-L53 HydrophobicContact CG1-CD2 4.39Å; L20-L53 HydrophobicContact CD1-CD2 4.02Å; L20-L53 HydrophobicContact CD2-CD2 4.08Å; P37-L53 HydrophobicContact CB-CD1 3.98Å; P37-L53 HydrophobicContact CB-CD2 4.06Å; L38-L53 HydrophobicContact CB-CD1 4.32Å; L38-L53 HydrophobicContact CD1-CB 4.24Å; L38-L53 HydrophobicContact CD1-CD1 4.41Å; A41-L53 HydrophobicContact CB-CD1 4.01Å; V49-L53 HydrophobicContact CG1-CD1 3.77Å; V49-L53 HydrophobicContact CG1-CG 4.2Å; V49-L53 WeakPolarHBondContact O-CB 3.3Å; V49-L53 VanDerWaalsContact O-CG 3.26Å; V49-L53 WeakPolarHBondContact O-CG 3.42Å; V49-L53 PolarHBondContact O-N 3.2Å; V50-L53 PolarHBondContact O-N 3.43Å; D51-L53 PolarHBondContact O-N 3.29Å; L53-R56 CarbonylContact O-C 3.55Å; L53-R56 PolarHBondContact O-N 2.83Å; L53-G57 PolarHBondContact O-N 3.35Å; L53-A58 HydrophobicContact CB-CB 3.98Å; L53-A58 WeakPolarHBondContact O-CB 3.41Å; L53-A58 PolarHBondContact O-N 3.38Å
54I83.9Confident85.3Confident32 Ų3245.4 Ų45.416%0.16423%0.228CC..Hα-helixtrans-62.2-48.2176.5-69.5178.3000110.5L38 V50 D51 R56 G57 I60 L86 C89L38-I54 HydrophobicContact CD1-CG1 4.21Å; V50-I54 HydrophobicContact CG1-CD1 3.58Å; V50-I54 HydrophobicContact CG1-CG1 4.21Å; V50-I54 WeakPolarHBondContact O-CB 3.23Å; V50-I54 VanDerWaalsContact O-CG1 3.27Å; V50-I54 WeakPolarHBondContact O-CG1 3.3Å; V50-I54 PolarHBondContact O-N 3.39Å; D51-I54 PolarHBondContact O-N 3.36Å; I54-R56 PolarHBondContact O-N 2.94Å; I54-G57 PolarHBondContact O-N 3.16Å; I54-I60 HydrophobicContact CB-CD1 4.39Å; I54-I60 HydrophobicContact CD1-CD1 3.99Å; I54-I60 HydrophobicContact CG1-CD1 3.65Å; I54-I60 HydrophobicContact CG2-CD1 4.14Å; I54-L86 HydrophobicContact CD1-CD2 4.01Å; I54-C89 HydrophobicContact CG2-CB 4.49Å
55M79.9Confident84.5Confident162 Ų16251 Ų5180%0.79825%0.247SC*.Hα-helixtrans-60.6-33.8177.7-74.6-179.769.400112.6D51 M52 G57D51-M55 WeakPolarHBondContact O-CB 3.38Å; D51-M55 WeakPolarHBondContact O-CG 3.47Å; D51-M55 PolarHBondContact O-N 3.03Å; M52-M55 PolarHBondContact O-N 2.86Å; M55-G57 PolarHBondContact O-N 2.85Å
56R74.8Confident83.7Confident105 Ų10550.4 Ų50.440%0.39624%0.241SC..THydrogen-bonded Turntrans-82.35.4174.7-68.5-63.7-159.2-1526.6113.7L20 D21 L27 M52 L53 I54L20-R56 HydrophobicContact CD1-CB 4.47Å; L20-R56 HydrophobicContact CD1-CG 4.09Å; D21-R56 IonicContact OD1-CZ 3.38Å; D21-R56 IonicContact OD1-NH2 3.74Å; D21-R56 PolarHBondContact OD1-NH2 3.33Å; L27-R56 HydrophobicContact CD2-CB 4.23Å; L27-R56 WeakPolarHBondContact CD2-O 3.14Å; M52-R56 WeakPolarHBondContact O-CB 3.35Å; M52-R56 WeakPolarHBondContact O-CG 3.35Å; M52-R56 PolarHBondContact O-N 2.97Å; L53-R56 CarbonylContact O-C 3.55Å; L53-R56 PolarHBondContact O-N 2.83Å; I54-R56 PolarHBondContact O-N 2.94Å
57G67.4Low83Confident14 Ų1448.9 Ų48.914%0.14424%0.24CC..THydrogen-bonded Turntrans90.426.8171.600000115.1L53 I54 M55 R59L53-G57 PolarHBondContact O-N 3.35Å; I54-G57 PolarHBondContact O-N 3.16Å; M55-G57 PolarHBondContact O-N 2.85Å; G57-R59 PolarHBondContact O-N 3.17Å
58A76.2Confident82.6Confident4 Ų448.8 Ų48.83%0.03324%0.238CC..  trans-57.7136.8171.100000111.5L27 L38 L53 I60L27-A58 HydrophobicContact CD1-CB 3.62Å; L38-A58 HydrophobicContact CB-CB 4.25Å; L38-A58 HydrophobicContact CD2-CB 3.92Å; L53-A58 HydrophobicContact CB-CB 3.98Å; L53-A58 WeakPolarHBondContact O-CB 3.41Å; L53-A58 PolarHBondContact O-N 3.38Å; A58-I60 PolarHBondContact O-N 3.22Å; A58-I60 VanDerWaalsContact O-N 3.15Å
59R72.1Confident82.4Confident40 Ų4043 Ų4315%0.15121%0.207CC..  trans-66.4112.9177.3-70.6178.3-152.5-159.58.2109.6N28 G57 N61 V62 N183 F245N28-R59 WeakPolarHBondContact OD1-CB 3.41Å; N28-R59 WeakPolarHBondContact OD1-CG 3.46Å; N28-R59 PolarHBondContact OD1-N 2.9Å; G57-R59 PolarHBondContact O-N 3.17Å; R59-N61 PolarHBondContact O-N 3.03Å; R59-V62 HydrophobicContact CB-CB 3.83Å; R59-V62 HydrophobicContact CB-CG1 4.41Å; R59-V62 WeakPolarHBondContact O-CG1 3.19Å; R59-V62 PolarHBondContact O-N 3.47Å; R59-N183 PolarHBondContact NH1-ND2 2.89Å; R59-F245 VanDerWaalsContact NH2-CG 3.33Å
60I82.4Confident82.4Confident25 Ų2543 Ų4313%0.12821%0.207CC..THydrogen-bonded Turntrans-64.5-40.5-178.1-54.1-56.5000112.1L38 I54 A58 P70 L86 C89 A91L38-I60 HydrophobicContact CD2-CD1 4.39Å; I54-I60 HydrophobicContact CB-CD1 4.39Å; I54-I60 HydrophobicContact CD1-CD1 3.99Å; I54-I60 HydrophobicContact CG1-CD1 3.65Å; I54-I60 HydrophobicContact CG2-CD1 4.14Å; A58-I60 PolarHBondContact O-N 3.22Å; A58-I60 VanDerWaalsContact O-N 3.15Å; I60-P70 WeakPolarHBondContact O-CD 3.31Å; I60-L86 HydrophobicContact CD1-CD2 4.43Å; I60-L86 HydrophobicContact CG2-CD2 4.04Å; I60-C89 HydrophobicContact CD1-CB 3.99Å; I60-C89 HydrophobicContact CG1-CB 4.03Å; I60-A91 HydrophobicContact CG2-CB 3.54Å
61N78.3Confident82.4Confident68 Ų6843 Ų4336%0.36421%0.207SC..THydrogen-bonded Turntrans-101.929.3-178.4-62.8-42.8000112.6R59 K90 A91 D92R59-N61 PolarHBondContact O-N 3.03Å; N61-K90 PolarHBondContact ND2-O 2.91Å; N61-A91 WeakPolarHBondContact OD1-CA 3.48Å; N61-D92 PolarHBondContact OD1-N 2.96Å
62V78.4Confident82.7Confident22 Ų2240.5 Ų40.513%0.13319%0.193CC..  trans-63.2144.2172.160.60000109.9H39 R59 T69 P70H39-V62 VanDerWaalsContact CE1-CG1 3.48Å; H39-V62 WeakPolarHBondContact CE1-CG1 3.29Å; H39-V62 PolarHBondContact NE2-O 3.36Å; R59-V62 HydrophobicContact CB-CB 3.83Å; R59-V62 HydrophobicContact CB-CG1 4.41Å; R59-V62 WeakPolarHBondContact O-CG1 3.19Å; R59-V62 PolarHBondContact O-N 3.47Å; V62-T69 VanDerWaalsContact O-CA 3.28Å; V62-T69 WeakPolarHBondContact O-CA 3.43Å; V62-P70 HydrophobicContact CG1-CG 3.72Å; V62-P70 WeakPolarHBondContact O-CD 3.34Å
63M79.8Confident83Confident67 Ų6739.9 Ų39.933%0.3319%0.191SC..  trans-115.2135.9-179.2-79.6178.8-8100110D67 D68 T69 P177M63-D67 HydrophobicContact SD-CB 4.01Å; M63-D68 WeakPolarHBondContact CA-O 3.21Å; M63-T69 HydrophobicContact CG-CG2 3.89Å; M63-P177 HydrophobicContact CE-CG 4.15Å
64N82.3Confident83.4Confident10 Ų1039.9 Ų39.95%0.05319%0.191CC..  trans-77.4-172.7168.773.37.2000111G34 F35 G66 D67 D68G34-N64 WeakPolarHBondContact O-CA 3.49Å; F35-N64 HydrophobicContact CD2-CB 4.03Å; F35-N64 HydrophobicContact CE2-CB 4.11Å; F35-N64 VanDerWaalsContact CE2-ND2 3.34Å; F35-N64 WeakPolarHBondContact CE2-ND2 3.29Å; F35-N64 HydrophobicContact CG-CB 4.35Å; F35-N64 HydrophobicContact CZ-CB 4.48Å; F35-N64 WeakPolarHBondContact CZ-ND2 3.25Å; N64-G66 PolarHBondContact O-N 3.18Å; N64-G66 WeakPolarHBondContact OD1-CA 3.35Å; N64-G66 PolarHBondContact OD1-N 2.69Å; N64-D67 PolarHBondContact O-N 2.9Å; N64-D67 VanDerWaalsContact O-N 3.11Å; N64-D67 PolarHBondContact OD1-N 2.9Å; N64-D68 PolarHBondContact N-O 2.95Å; N64-D68 PolarHBondContact OD1-N 3.31Å
65R78.6Confident84.1Confident179 Ų17938.4 Ų38.468%0.67518%0.183SC*.THydrogen-bonded Turntrans-64.7-22.3179.3-75.5-177.3-175.1-166.62.4114.6D32 H33 D67D32-R65 PolarHBondContact O-NE 2.93Å; D32-R65 PolarHBondContact O-NH1 3.39Å; D32-R65 PolarHBondContact O-NH2 3.33Å; H33-R65 WeakPolarHBondContact O-CB 3.39Å; H33-R65 VanDerWaalsContact O-CG 3.3Å; H33-R65 WeakPolarHBondContact O-CG 3.34Å; H33-R65 PolarHBondContact O-N 3.08Å; H33-R65 VanDerWaalsContact O-N 3.14Å; R65-D67 VanDerWaalsContact C-N 3.33Å
66G80.3Confident84.9Confident9 Ų931.1 Ų31.19%0.09315%0.148CC..THydrogen-bonded Turntrans-93.512.4174.800000113.5N64 D68 N97 E98N64-G66 PolarHBondContact O-N 3.18Å; N64-G66 WeakPolarHBondContact OD1-CA 3.35Å; N64-G66 PolarHBondContact OD1-N 2.69Å; G66-D68 PolarHBondContact O-N 3.12Å; G66-N97 WeakPolarHBondContact O-CB 3.26Å; G66-E98 VanDerWaalsContact CA-OE1 3.32Å; G66-E98 WeakPolarHBondContact CA-OE1 3.46Å; G66-E98 WeakPolarHBondContact O-CB 3.35Å; G66-E98 WeakPolarHBondContact O-CG 3.46Å; G66-E98 PolarHBondContact O-N 2.92Å
67D81.6Confident85.9Confident66 Ų6630.1 Ų30.135%0.35315%0.148SC..  trans59.618.2-174.1-61-34.2000114.7M63 N64 R65 N97M63-D67 HydrophobicContact SD-CB 4.01Å; N64-D67 PolarHBondContact O-N 2.9Å; N64-D67 VanDerWaalsContact O-N 3.11Å; N64-D67 PolarHBondContact OD1-N 2.9Å; R65-D67 VanDerWaalsContact C-N 3.33Å; D67-N97 HydrophobicContact CB-CB 4.41Å
68D86.9Confident87.2Confident19 Ų1930.5 Ų30.510%0.10215%0.151CC..  trans-74.7139.6170.6-61.3-53.1000109.8H39 M63 N64 G66 H72 N97 Y106H39-D68 PolarHBondContact NE2-O 2.85Å; H39-D68 VanDerWaalsContact NE2-O 3.07Å; M63-D68 WeakPolarHBondContact CA-O 3.21Å; N64-D68 PolarHBondContact N-O 2.95Å; N64-D68 PolarHBondContact OD1-N 3.31Å; G66-D68 PolarHBondContact O-N 3.12Å; D68-H72 HydrophobicContact CB-CB 4.1Å; D68-N97 WeakPolarHBondContact OD1-CB 3.11Å; D68-N97 PolarHBondContact OD1-ND2 3.45Å; D68-Y106 PolarHBondContact OD1-OH 3.47Å; D68-Y106 PolarHBondContact OD2-OH 2.94Å
69T89.8Confident88.2Confident3 Ų332.4 Ų32.42%0.01816%0.16CC..  trans-97.6164.5173.370.40000111.5V62 M63 L71 H72 L73 A95V62-T69 VanDerWaalsContact O-CA 3.28Å; V62-T69 WeakPolarHBondContact O-CA 3.43Å; M63-T69 HydrophobicContact CG-CG2 3.89Å; T69-L71 PolarHBondContact O-N 2.99Å; T69-L71 VanDerWaalsContact O-N 3.09Å; T69-L71 PolarHBondContact OG1-N 3.42Å; T69-H72 PolarHBondContact N-ND1 3.2Å; T69-H72 WeakPolarHBondContact O-CB 3.32Å; T69-H72 PolarHBondContact O-N 3.34Å; T69-H72 PolarHBondContact OG1-ND1 2.93Å; T69-L73 PolarHBondContact O-N 3.46Å; T69-A95 HydrophobicContact CG2-CB 4.03Å
70P93.8Very high89.4Confident0 Ų035.6 Ų35.60%017%0.172CC..Hα-helixtrans-51.9-33.1171.5-27.833.5000113.4L38 C42 I60 V62 L73 A74 L86L38-P70 HydrophobicContact CB-CG 4.41Å; L38-P70 HydrophobicContact CD2-CB 4.2Å; L38-P70 HydrophobicContact CD2-CG 3.84Å; L38-P70 HydrophobicContact CG-CB 4Å; L38-P70 HydrophobicContact CG-CG 3.89Å; C42-P70 HydrophobicContact CB-CB 4.15Å; I60-P70 WeakPolarHBondContact O-CD 3.31Å; V62-P70 HydrophobicContact CG1-CG 3.72Å; V62-P70 WeakPolarHBondContact O-CD 3.34Å; P70-L73 PolarHBondContact O-N 3.33Å; P70-A74 WeakPolarHBondContact O-CB 3.49Å; P70-A74 PolarHBondContact O-N 3.41Å; P70-L86 HydrophobicContact CB-CD1 4.38Å
71L95.6Very high90Very high0 Ų038.2 Ų38.20%019%0.186CC..Hα-helixtrans-66.3-37.1176.1-174.761.4000112.6T69 L73 A75 V83 L86 A91 T93 P103 L119T69-L71 PolarHBondContact O-N 2.99Å; T69-L71 VanDerWaalsContact O-N 3.09Å; T69-L71 PolarHBondContact OG1-N 3.42Å; L71-L73 VanDerWaalsContact C-N 3.32Å; L71-L73 PolarHBondContact O-N 3.46Å; L71-A75 WeakPolarHBondContact O-CB 3.45Å; L71-A75 PolarHBondContact O-N 2.94Å; L71-V83 HydrophobicContact CD1-CB 4.37Å; L71-V83 HydrophobicContact CD1-CG1 4Å; L71-V83 HydrophobicContact CD1-CG2 4.2Å; L71-L86 HydrophobicContact CB-CD1 4.19Å; L71-L86 HydrophobicContact CD1-CB 4.17Å; L71-L86 HydrophobicContact CD1-CD1 4.07Å; L71-A91 HydrophobicContact CB-CB 4.46Å; L71-A91 HydrophobicContact CD2-CB 3.89Å; L71-T93 HydrophobicContact CD2-CG2 4.31Å; L71-P103 HydrophobicContact CB-CG 4.3Å; L71-P103 HydrophobicContact CD2-CB 4.22Å; L71-P103 HydrophobicContact CD2-CG 3.89Å; L71-P103 HydrophobicContact CG-CB 3.91Å; L71-P103 HydrophobicContact CG-CG 3.88Å; L71-L119 HydrophobicContact CD1-CD2 4.33Å; L71-L119 HydrophobicContact CD2-CD2 4.25Å
72H96.1Very high90.9Very high0 Ų035 Ų350%017%0.169CC..Hα-helixtrans-60.4-44.2174-69.282.6000111.1D68 T69 A75 S76 A95 N101 P103 Y106D68-H72 HydrophobicContact CB-CB 4.1Å; T69-H72 PolarHBondContact N-ND1 3.2Å; T69-H72 WeakPolarHBondContact O-CB 3.32Å; T69-H72 PolarHBondContact O-N 3.34Å; T69-H72 PolarHBondContact OG1-ND1 2.93Å; H72-A75 PolarHBondContact O-N 3.14Å; H72-S76 PolarHBondContact O-N 2.97Å; H72-S76 PolarHBondContact O-OG 2.81Å; H72-A95 PolarHBondContact NE2-O 3.12Å; H72-N101 PolarHBondContact NE2-O 3.13Å; H72-P103 WeakPolarHBondContact NE2-CD 3.38Å; H72-Y106 HydrophobicContact CB-CD2 4.29Å; H72-Y106 HydrophobicContact CB-CE2 4.32Å; H72-Y106 AromaticContact CD2-CD2 3.63Å; H72-Y106 AromaticContact CD2-CE2 3.58Å
73L96.6Very high91.8Very high13 Ų1334 Ų347%0.06816%0.163CC..Hα-helixtrans-72.5-40.9-178-57.5179.9000112.6F35 H39 R43 T69 P70 L71 A75 S76 H77F35-L73 HydrophobicContact CD1-CD1 3.87Å; F35-L73 HydrophobicContact CE1-CD1 3.63Å; F35-L73 HydrophobicContact CE1-CD2 4.25Å; H39-L73 HydrophobicContact CB-CD1 3.63Å; R43-L73 HydrophobicContact CB-CB 4.13Å; R43-L73 HydrophobicContact CB-CD1 4.32Å; T69-L73 PolarHBondContact O-N 3.46Å; P70-L73 PolarHBondContact O-N 3.33Å; L71-L73 VanDerWaalsContact C-N 3.32Å; L71-L73 PolarHBondContact O-N 3.46Å; L73-A75 PolarHBondContact O-N 2.98Å; L73-S76 PolarHBondContact O-OG 3.27Å; L73-H77 PolarHBondContact O-CD2 3.01Å; L73-H77 PolarHBondContact O-N 3.41Å
74A97.3Very high92.5Very high0 Ų031.9 Ų31.90%016%0.159CC..Hα-helixtrans-61.9-38.7172.700000110.9C42 P70 G78 H79 I82 V83 L86C42-A74 HydrophobicContact CB-CB 4.19Å; P70-A74 WeakPolarHBondContact O-CB 3.49Å; P70-A74 PolarHBondContact O-N 3.41Å; A74-G78 PolarHBondContact O-N 2.86Å; A74-G78 VanDerWaalsContact O-N 3.16Å; A74-H79 PolarHBondContact O-N 3.15Å; A74-H79 VanDerWaalsContact O-N 3.09Å; A74-I82 HydrophobicContact CB-CB 4.42Å; A74-I82 HydrophobicContact CB-CG2 3.76Å; A74-V83 HydrophobicContact CB-CG2 3.79Å; A74-L86 HydrophobicContact CB-CD1 4.1Å
75A97.3Very high92.9Very high0 Ų033.8 Ų33.80%017%0.166CC..Hα-helixtrans-72-38.4-178.700000113.7L71 H72 L73 H77 G78 P103 A107 Q112 V115 L119L71-A75 WeakPolarHBondContact O-CB 3.45Å; L71-A75 PolarHBondContact O-N 2.94Å; H72-A75 PolarHBondContact O-N 3.14Å; L73-A75 PolarHBondContact O-N 2.98Å; A75-H77 VanDerWaalsContact C-N 3.32Å; A75-H77 PolarHBondContact O-N 2.92Å; A75-G78 PolarHBondContact O-N 2.76Å; A75-P103 HydrophobicContact CB-CB 4.14Å; A75-A107 HydrophobicContact CB-CB 4.36Å; A75-Q112 WeakPolarHBondContact O-CG 3.29Å; A75-V115 HydrophobicContact CB-CG1 3.96Å; A75-L119 HydrophobicContact CB-CD1 4.19Å
76S96.4Very high93.5Very high9 Ų925.3 Ų25.36%0.06313%0.134CC..Hα-helixtrans-65.6-35.4177.364.40000112.6H72 L73 W110 Q112H72-S76 PolarHBondContact O-N 2.97Å; H72-S76 PolarHBondContact O-OG 2.81Å; L73-S76 PolarHBondContact O-OG 3.27Å; S76-W110 WeakPolarHBondContact O-CB 3.34Å; S76-Q112 PolarHBondContact O-NE2 3.05Å
77H95.9Very high93.9Very high84 Ų8426.3 Ų26.339%0.38914%0.137SC..Hα-helixtrans-92-2.9-178-73.5-82.8000114.5R43 L73 A75 H79R43-H77 WeakPolarHBondContact CG-NE2 3.12Å; L73-H77 PolarHBondContact O-CD2 3.01Å; L73-H77 PolarHBondContact O-N 3.41Å; A75-H77 VanDerWaalsContact C-N 3.32Å; A75-H77 PolarHBondContact O-N 2.92Å; H77-H79 WeakPolarHBondContact CB-NE2 3.37Å
78G95.4Very high94Very high22 Ų2230.5 Ų30.523%0.22716%0.155CC..THydrogen-bonded Turntrans80.617.1173.200000115.2A74 A75 R80A74-G78 PolarHBondContact O-N 2.86Å; A74-G78 VanDerWaalsContact O-N 3.16Å; A75-G78 PolarHBondContact O-N 2.76Å; G78-R80 VanDerWaalsContact C-N 3.27Å; G78-R80 PolarHBondContact O-N 3.39Å
79H97.4Very high93.6Very high45 Ų4532.1 Ų32.121%0.20817%0.167CC..  trans-78.175.7-177.7-58.7-52.7000111.3C42 R43 G45 A74 H77 D81 I82 V83C42-H79 PolarHBondContact O-CD2 3.42Å; R43-H79 PolarHBondContact O-CD2 3.5Å; R43-H79 PolarHBondContact O-NE2 3.39Å; G45-H79 VanDerWaalsContact CA-CE1 3.44Å; G45-H79 WeakPolarHBondContact CA-CE1 3.46Å; G45-H79 WeakPolarHBondContact CA-NE2 3.22Å; G45-H79 PolarHBondContact N-NE2 3.05Å; A74-H79 PolarHBondContact O-N 3.15Å; A74-H79 VanDerWaalsContact O-N 3.09Å; H77-H79 WeakPolarHBondContact CB-NE2 3.37Å; H79-D81 VanDerWaalsContact C-N 3.34Å; H79-D81 PolarHBondContact O-N 3.47Å; H79-I82 HydrophobicContact CB-CB 4.1Å; H79-I82 HydrophobicContact CB-CD1 3.98Å; H79-I82 HydrophobicContact CB-CG1 4.33Å; H79-I82 PolarHBondContact O-N 3.16Å; H79-V83 WeakPolarHBondContact O-CG2 3.45Å; H79-V83 PolarHBondContact O-N 3.18Å
80R96.4Very high93.1Very high106 Ų10640.1 Ų40.140%0.420%0.201SC..Hα-helixtrans-56.7-41.5-171.4-172.4-175.4179.9-175.3-0.5114G78 V83 G84 V115 D118G78-R80 VanDerWaalsContact C-N 3.27Å; G78-R80 PolarHBondContact O-N 3.39Å; R80-V83 PolarHBondContact O-N 3.38Å; R80-G84 PolarHBondContact O-N 3.11Å; R80-V115 HydrophobicContact CB-CG2 4.03Å; R80-V115 HydrophobicContact CG-CG2 4.46Å; R80-D118 WeakPolarHBondContact CG-OD2 3.36Å; R80-D118 IonicContact CZ-OD1 3.81Å; R80-D118 IonicContact CZ-OD2 3.77Å; R80-D118 IonicContact NE-OD1 3.93Å; R80-D118 IonicContact NE-OD2 3.73Å; R80-D118 PolarHBondContact NE-OD2 2.86Å; R80-D118 IonicContact NH2-OD1 2.81Å; R80-D118 PolarHBondContact NH2-OD1 2.94Å; R80-D118 IonicContact NH2-OD2 2.97Å; R80-D118 PolarHBondContact NH2-OD2 3.28Å
81D96.1Very high92.3Very high81 Ų8140.6 Ų40.643%0.43321%0.205SC..Hα-helixtrans-64.3-41.3178.865.2-40.9000112S47 H79 G84 K85S47-D81 VanDerWaalsContact CB-OD2 3.3Å; S47-D81 WeakPolarHBondContact CB-OD2 3.47Å; S47-D81 PolarHBondContact OG-OD2 2.96Å; H79-D81 VanDerWaalsContact C-N 3.34Å; H79-D81 PolarHBondContact O-N 3.47Å; D81-G84 PolarHBondContact O-N 3.25Å; D81-K85 WeakPolarHBondContact O-CG 3.36Å; D81-K85 PolarHBondContact O-N 3.19Å; D81-K85 VanDerWaalsContact O-N 3.11Å
82I97.5Very high91.6Very high0 Ų043.6 Ų43.60%022%0.221CC..Hα-helixtrans-67.1-42.4174.6-66.8174.9000110.6C42 V50 A74 H79 G84 K85 L86C42-I82 HydrophobicContact CB-CG2 4.21Å; V50-I82 HydrophobicContact CG1-CG2 4.23Å; V50-I82 HydrophobicContact CG2-CD1 3.99Å; V50-I82 HydrophobicContact CG2-CG1 4.32Å; V50-I82 HydrophobicContact CG2-CG2 4.23Å; A74-I82 HydrophobicContact CB-CB 4.42Å; A74-I82 HydrophobicContact CB-CG2 3.76Å; H79-I82 HydrophobicContact CB-CB 4.1Å; H79-I82 HydrophobicContact CB-CD1 3.98Å; H79-I82 HydrophobicContact CB-CG1 4.33Å; H79-I82 PolarHBondContact O-N 3.16Å; I82-G84 VanDerWaalsContact C-N 3.35Å; I82-G84 PolarHBondContact O-N 3Å; I82-K85 PolarHBondContact O-N 3.12Å; I82-L86 HydrophobicContact CG2-CD1 3.94Å; I82-L86 HydrophobicContact CG2-CG 4.26Å; I82-L86 WeakPolarHBondContact O-CG 3.48Å; I82-L86 PolarHBondContact O-N 3.24Å
83V97.1Very high91.2Very high0 Ų044.2 Ų44.20%023%0.225CC..Hα-helixtrans-57.6-48.4175.4168.30000110.7L71 A74 H79 R80 K85 L86 I87 V115 L119L71-V83 HydrophobicContact CD1-CB 4.37Å; L71-V83 HydrophobicContact CD1-CG1 4Å; L71-V83 HydrophobicContact CD1-CG2 4.2Å; A74-V83 HydrophobicContact CB-CG2 3.79Å; H79-V83 WeakPolarHBondContact O-CG2 3.45Å; H79-V83 PolarHBondContact O-N 3.18Å; R80-V83 PolarHBondContact O-N 3.38Å; V83-K85 VanDerWaalsContact C-N 3.32Å; V83-K85 PolarHBondContact O-N 2.87Å; V83-L86 PolarHBondContact O-N 3.17Å; V83-I87 HydrophobicContact CG1-CD1 3.61Å; V83-I87 HydrophobicContact CG1-CG1 4.42Å; V83-I87 VanDerWaalsContact O-CG1 3.26Å; V83-I87 WeakPolarHBondContact O-CG1 3.3Å; V83-I87 PolarHBondContact O-N 3.04Å; V83-V115 HydrophobicContact CG1-CG1 4.25Å; V83-V115 HydrophobicContact CG2-CG1 3.91Å; V83-V115 HydrophobicContact CG2-CG2 4.5Å; V83-L119 HydrophobicContact CG1-CD2 4.23Å; V83-L119 HydrophobicContact CG1-CG 4.38Å
84G93.3Very high90.7Very high24 Ų2444.9 Ų44.925%0.24723%0.229CC..Hα-helixtrans-57.1-43.9176.800000112.7R80 D81 I82 I87 Q88R80-G84 PolarHBondContact O-N 3.11Å; D81-G84 PolarHBondContact O-N 3.25Å; I82-G84 VanDerWaalsContact C-N 3.35Å; I82-G84 PolarHBondContact O-N 3Å; G84-I87 PolarHBondContact O-N 3.08Å; G84-Q88 VanDerWaalsContact O-CG 3.29Å; G84-Q88 WeakPolarHBondContact O-CG 3.33Å; G84-Q88 PolarHBondContact O-N 3.31Å
85K92.1Very high89.9Confident50 Ų5045.2 Ų45.222%0.21723%0.231CC..Hα-helixtrans-64.2-45.4176.7-74.8167169.7-1750113D51 D81 I82 V83 I87 Q88 C89D51-K85 WeakPolarHBondContact OD1-CD 3.34Å; D51-K85 WeakPolarHBondContact OD1-CE 3.48Å; D51-K85 IonicContact OD1-NZ 2.96Å; D51-K85 PolarHBondContact OD1-NZ 3Å; D51-K85 IonicContact OD2-NZ 3.38Å; D51-K85 PolarHBondContact OD2-NZ 3.48Å; D81-K85 WeakPolarHBondContact O-CG 3.36Å; D81-K85 PolarHBondContact O-N 3.19Å; D81-K85 VanDerWaalsContact O-N 3.11Å; I82-K85 PolarHBondContact O-N 3.12Å; V83-K85 VanDerWaalsContact C-N 3.32Å; V83-K85 PolarHBondContact O-N 2.87Å; K85-I87 VanDerWaalsContact C-N 3.31Å; K85-I87 PolarHBondContact O-N 3.42Å; K85-Q88 WeakPolarHBondContact O-CB 3.36Å; K85-Q88 PolarHBondContact O-N 3.19Å; K85-C89 PolarHBondContact O-N 3.39Å; K85-C89 PolarHBondContact O-SG 3.11Å
86L90.2Very high89.3Confident0 Ų047.1 Ų47.10%024%0.243CC..Hα-helixtrans-60.8-42.7177.6-71173.3000110.9I54 I60 P70 L71 A74 I82 V83 C89 K90 A91I54-L86 HydrophobicContact CD1-CD2 4.01Å; I60-L86 HydrophobicContact CD1-CD2 4.43Å; I60-L86 HydrophobicContact CG2-CD2 4.04Å; P70-L86 HydrophobicContact CB-CD1 4.38Å; L71-L86 HydrophobicContact CB-CD1 4.19Å; L71-L86 HydrophobicContact CD1-CB 4.17Å; L71-L86 HydrophobicContact CD1-CD1 4.07Å; A74-L86 HydrophobicContact CB-CD1 4.1Å; I82-L86 HydrophobicContact CG2-CD1 3.94Å; I82-L86 HydrophobicContact CG2-CG 4.26Å; I82-L86 WeakPolarHBondContact O-CG 3.48Å; I82-L86 PolarHBondContact O-N 3.24Å; V83-L86 PolarHBondContact O-N 3.17Å; L86-C89 CarbonylContact O-C 3.55Å; L86-C89 WeakPolarHBondContact O-CA 3.41Å; L86-C89 PolarHBondContact O-N 3.27Å; L86-C89 VanDerWaalsContact O-N 3.14Å; L86-K90 PolarHBondContact O-N 2.83Å; L86-A91 HydrophobicContact CB-CB 3.95Å; L86-A91 WeakPolarHBondContact O-CB 3.22Å; L86-A91 PolarHBondContact O-N 2.96Å
87I88.1Confident88.7Confident31 Ų3146.9 Ų46.916%0.15924%0.241CC..Hα-helixtrans-62.9-44.8176.3-68.6166.4000111.2V83 G84 K85 C89 K90 T93 L119V83-I87 HydrophobicContact CG1-CD1 3.61Å; V83-I87 HydrophobicContact CG1-CG1 4.42Å; V83-I87 VanDerWaalsContact O-CG1 3.26Å; V83-I87 WeakPolarHBondContact O-CG1 3.3Å; V83-I87 PolarHBondContact O-N 3.04Å; G84-I87 PolarHBondContact O-N 3.08Å; K85-I87 VanDerWaalsContact C-N 3.31Å; K85-I87 PolarHBondContact O-N 3.42Å; I87-C89 PolarHBondContact O-N 2.94Å; I87-K90 PolarHBondContact O-N 2.92Å; I87-T93 HydrophobicContact CD1-CG2 4.46Å; I87-T93 HydrophobicContact CG1-CG2 4.07Å; I87-L119 HydrophobicContact CD1-CD2 4.13Å
88Q85.3Confident88.1Confident154 Ų15447.2 Ų47.272%0.7224%0.243SC*.Hα-helixtrans-57.8-34.5174.4-73.91721.900111.8G84 K85 K90G84-Q88 VanDerWaalsContact O-CG 3.29Å; G84-Q88 WeakPolarHBondContact O-CG 3.33Å; G84-Q88 PolarHBondContact O-N 3.31Å; K85-Q88 WeakPolarHBondContact O-CB 3.36Å; K85-Q88 PolarHBondContact O-N 3.19Å; Q88-K90 PolarHBondContact O-N 3.22Å
89C77.7Confident87.7Confident52 Ų5249.4 Ų49.435%0.35125%0.247SC..THydrogen-bonded Turntrans-85.923.6175.4-58.50000113.7I54 I60 K85 L86 I87 A91I54-C89 HydrophobicContact CG2-CB 4.49Å; I60-C89 HydrophobicContact CD1-CB 3.99Å; I60-C89 HydrophobicContact CG1-CB 4.03Å; K85-C89 PolarHBondContact O-N 3.39Å; K85-C89 PolarHBondContact O-SG 3.11Å; L86-C89 CarbonylContact O-C 3.55Å; L86-C89 WeakPolarHBondContact O-CA 3.41Å; L86-C89 PolarHBondContact O-N 3.27Å; L86-C89 VanDerWaalsContact O-N 3.14Å; I87-C89 PolarHBondContact O-N 2.94Å; C89-A91 PolarHBondContact O-N 3.05Å
90K79.3Confident87.2Confident171 Ų17147.2 Ų47.274%0.74324%0.237SC*.THydrogen-bonded Turntrans6038.3175.9-54.4-66.6-172.6173.60114N61 L86 I87 Q88N61-K90 PolarHBondContact ND2-O 2.91Å; L86-K90 PolarHBondContact O-N 2.83Å; I87-K90 PolarHBondContact O-N 2.92Å; Q88-K90 PolarHBondContact O-N 3.22Å
91A78.1Confident87Confident10 Ų1043.4 Ų43.48%0.08323%0.225CC..  trans-60.3139.216600000111I60 N61 L71 L86 C89 T93I60-A91 HydrophobicContact CG2-CB 3.54Å; N61-A91 WeakPolarHBondContact OD1-CA 3.48Å; L71-A91 HydrophobicContact CB-CB 4.46Å; L71-A91 HydrophobicContact CD2-CB 3.89Å; L86-A91 HydrophobicContact CB-CB 3.95Å; L86-A91 WeakPolarHBondContact O-CB 3.22Å; L86-A91 PolarHBondContact O-N 2.96Å; C89-A91 PolarHBondContact O-N 3.05Å; A91-T93 PolarHBondContact O-N 3.3Å; A91-T93 VanDerWaalsContact O-N 3.17Å
92D79.1Confident86.9Confident63 Ų6339.6 Ų39.634%0.33720%0.204SC..  trans-74.7104.2175.4179.47.3000109.8N61 N94 A95 R174N61-D92 PolarHBondContact OD1-N 2.96Å; D92-N94 PolarHBondContact O-N 3.26Å; D92-N94 WeakPolarHBondContact OD1-CA 2.92Å; D92-N94 PolarHBondContact OD1-N 3.17Å; D92-A95 HydrophobicContact CB-CB 4.13Å; D92-A95 VanDerWaalsContact CG-N 3.31Å; D92-A95 WeakPolarHBondContact O-CB 3.33Å; D92-A95 PolarHBondContact O-N 3.4Å; D92-A95 PolarHBondContact OD1-N 3.38Å; D92-A95 WeakPolarHBondContact OD2-CA 3.43Å; D92-A95 PolarHBondContact OD2-N 3.45Å; D92-R174 IonicContact OD2-NH2 3.98Å
93T87.8Confident86.8Confident14 Ų1439.6 Ų39.69%0.08620%0.204CC..THydrogen-bonded Turntrans-68-18.4179.653.30000113.2L71 I87 A91 L119L71-T93 HydrophobicContact CD2-CG2 4.31Å; I87-T93 HydrophobicContact CD1-CG2 4.46Å; I87-T93 HydrophobicContact CG1-CG2 4.07Å; A91-T93 PolarHBondContact O-N 3.3Å; A91-T93 VanDerWaalsContact O-N 3.17Å; T93-L119 HydrophobicContact CG2-CD2 4.27Å
94N86.4Confident86.8Confident26 Ų2639.6 Ų39.614%0.13920%0.204CC..THydrogen-bonded Turntrans-112.320.5178.9-64.7-55.6000112D92 G123 A124 L125 I128 R174D92-N94 PolarHBondContact O-N 3.26Å; D92-N94 WeakPolarHBondContact OD1-CA 2.92Å; D92-N94 PolarHBondContact OD1-N 3.17Å; N94-G123 PolarHBondContact ND2-O 3.12Å; N94-A124 WeakPolarHBondContact OD1-CA 3.29Å; N94-L125 PolarHBondContact OD1-N 3.33Å; N94-I128 HydrophobicContact CB-CD1 3.92Å; N94-R174 PolarHBondContact O-NH1 3.46Å; N94-R174 PolarHBondContact O-NH2 2.95Å
95A81.3Confident86.9Confident7 Ų738.6 Ų38.66%0.05819%0.193CC..  trans-54.3139.2168.200000109.1T69 H72 D92 T102 P103T69-A95 HydrophobicContact CG2-CB 4.03Å; H72-A95 PolarHBondContact NE2-O 3.12Å; D92-A95 HydrophobicContact CB-CB 4.13Å; D92-A95 VanDerWaalsContact CG-N 3.31Å; D92-A95 WeakPolarHBondContact O-CB 3.33Å; D92-A95 PolarHBondContact O-N 3.4Å; D92-A95 PolarHBondContact OD1-N 3.38Å; D92-A95 WeakPolarHBondContact OD2-CA 3.43Å; D92-A95 PolarHBondContact OD2-N 3.45Å; A95-T102 WeakPolarHBondContact O-CA 3.37Å; A95-T102 WeakPolarHBondContact O-CB 3.3Å; A95-P103 WeakPolarHBondContact O-CD 3.41Å
96V83.8Confident87.2Confident40 Ų4038.3 Ų38.324%0.24219%0.191CC..  trans-118.7134.6178-64.70000108.5N101 T102 I128 R174V96-N101 WeakPolarHBondContact CA-O 3.49Å; V96-T102 HydrophobicContact CG1-CG2 3.8Å; V96-I128 HydrophobicContact CG1-CG2 4.35Å; V96-R174 VanDerWaalsContact N-NH2 3.2Å
97N84.8Confident87.5Confident5 Ų538.3 Ų38.33%0.02719%0.191CC..  trans-85.9-173.8176.382.2-8.1000112G66 D67 D68 H99 G100 N101 Y106G66-N97 WeakPolarHBondContact O-CB 3.26Å; D67-N97 HydrophobicContact CB-CB 4.41Å; D68-N97 WeakPolarHBondContact OD1-CB 3.11Å; D68-N97 PolarHBondContact OD1-ND2 3.45Å; N97-H99 PolarHBondContact O-N 2.85Å; N97-H99 WeakPolarHBondContact OD1-CA 3.39Å; N97-H99 WeakPolarHBondContact OD1-CB 3.42Å; N97-H99 PolarHBondContact OD1-N 3.29Å; N97-G100 PolarHBondContact O-N 3.06Å; N97-G100 PolarHBondContact OD1-N 3.1Å; N97-N101 PolarHBondContact N-O 3Å; N97-N101 WeakPolarHBondContact OD1-CB 3.44Å; N97-N101 PolarHBondContact OD1-N 2.68Å; N97-N101 PolarHBondContact OD1-O 3.14Å; N97-Y106 WeakPolarHBondContact ND2-CE2 3.16Å; N97-Y106 PolarHBondContact ND2-OH 3.01Å
98E83.9Confident87.8Confident90 Ų9036.9 Ų36.942%0.42118%0.184SC..THydrogen-bonded Turntrans-61.7-21.5-175.973.2177141.200113.2G66 K131G66-E98 VanDerWaalsContact CA-OE1 3.32Å; G66-E98 WeakPolarHBondContact CA-OE1 3.46Å; G66-E98 WeakPolarHBondContact O-CB 3.35Å; G66-E98 WeakPolarHBondContact O-CG 3.46Å; G66-E98 PolarHBondContact O-N 2.92Å; E98-K131 WeakPolarHBondContact O-CD 3.35Å; E98-K131 WeakPolarHBondContact O-CE 3.43Å; E98-K131 PolarHBondContact O-NZ 2.94Å
99H86.2Confident88.3Confident68 Ų6835.3 Ų35.332%0.31517%0.174SC..THydrogen-bonded Turntrans-95.51.3177.2-59.9-56000113N97 N101 N130 K131N97-H99 PolarHBondContact O-N 2.85Å; N97-H99 WeakPolarHBondContact OD1-CA 3.39Å; N97-H99 WeakPolarHBondContact OD1-CB 3.42Å; N97-H99 PolarHBondContact OD1-N 3.29Å; H99-N101 VanDerWaalsContact C-N 3.25Å; H99-N130 WeakPolarHBondContact O-CB 3.3Å; H99-K131 WeakPolarHBondContact O-CB 3.22Å; H99-K131 WeakPolarHBondContact O-CG 3.44Å; H99-K131 PolarHBondContact O-N 3.4Å
100G85.8Confident89.1Confident0 Ų040 Ų400%019%0.185CC..SBendtrans76.310.4-174.100000114N97 N130N97-G100 PolarHBondContact O-N 3.06Å; N97-G100 PolarHBondContact OD1-N 3.1Å; G100-N130 WeakPolarHBondContact O-CA 3.3Å
101N92.7Very high89.8Confident26 Ų2632.8 Ų32.814%0.13916%0.159CC..  trans-79.7139.6176.8-65.7-46.8000109.7H72 V96 N97 H99 H105 Y106 N130H72-N101 PolarHBondContact NE2-O 3.13Å; V96-N101 WeakPolarHBondContact CA-O 3.49Å; N97-N101 PolarHBondContact N-O 3Å; N97-N101 WeakPolarHBondContact OD1-CB 3.44Å; N97-N101 PolarHBondContact OD1-N 2.68Å; N97-N101 PolarHBondContact OD1-O 3.14Å; H99-N101 VanDerWaalsContact C-N 3.25Å; N101-H105 HydrophobicContact CB-CB 3.91Å; N101-Y106 HydrophobicContact CB-CD2 4.31Å; N101-Y106 HydrophobicContact CB-CE2 3.97Å; N101-N130 VanDerWaalsContact OD1-CB 3.3Å; N101-N130 WeakPolarHBondContact OD1-CB 3.15Å; N101-N130 PolarHBondContact OD1-ND2 3.16Å
102T94.3Very high90.7Very high0 Ų035.1 Ų35.10%017%0.168CC..  trans-97.1167.917366.40000111.1A95 V96 L104 H105 Y106 I128A95-T102 WeakPolarHBondContact O-CA 3.37Å; A95-T102 WeakPolarHBondContact O-CB 3.3Å; V96-T102 HydrophobicContact CG1-CG2 3.8Å; T102-L104 PolarHBondContact O-N 3.44Å; T102-L104 VanDerWaalsContact O-N 3.12Å; T102-L104 PolarHBondContact OG1-N 3.43Å; T102-H105 PolarHBondContact N-ND1 3.37Å; T102-H105 WeakPolarHBondContact O-CB 3.24Å; T102-H105 PolarHBondContact O-N 3.27Å; T102-H105 PolarHBondContact OG1-N 2.9Å; T102-H105 PolarHBondContact OG1-ND1 2.98Å; T102-Y106 PolarHBondContact O-N 3.27Å; T102-I128 HydrophobicContact CG2-CB 4.26Å; T102-I128 HydrophobicContact CG2-CD1 3.89Å; T102-I128 HydrophobicContact CG2-CG2 3.87Å
103P95.8Very high91.4Very high0 Ų035.4 Ų35.40%017%0.17CC..Hα-helixtrans-54-33.3172.2-26.434.9000112.8L71 H72 A75 A95 Y106 A107 L119L71-P103 HydrophobicContact CB-CG 4.3Å; L71-P103 HydrophobicContact CD2-CB 4.22Å; L71-P103 HydrophobicContact CD2-CG 3.89Å; L71-P103 HydrophobicContact CG-CB 3.91Å; L71-P103 HydrophobicContact CG-CG 3.88Å; H72-P103 WeakPolarHBondContact NE2-CD 3.38Å; A75-P103 HydrophobicContact CB-CB 4.14Å; A95-P103 WeakPolarHBondContact O-CD 3.41Å; P103-Y106 PolarHBondContact O-N 3.25Å; P103-A107 PolarHBondContact O-N 3.31Å; P103-L119 HydrophobicContact CB-CD1 4.26Å; P103-L119 HydrophobicContact CB-CD2 4.45Å
104L96.7Very high91.7Very high0 Ų040.6 Ų40.60%019%0.193CC..Hα-helixtrans-67.5-36175.7-17361.2000112.6T102 Y106 A107 C108 A116 L119 V120 A124 V126 P136T102-L104 PolarHBondContact O-N 3.44Å; T102-L104 VanDerWaalsContact O-N 3.12Å; T102-L104 PolarHBondContact OG1-N 3.43Å; L104-Y106 VanDerWaalsContact C-N 3.31Å; L104-Y106 PolarHBondContact O-N 2.98Å; L104-A107 PolarHBondContact O-N 3.24Å; L104-C108 WeakPolarHBondContact O-CB 3.17Å; L104-C108 PolarHBondContact O-N 3.11Å; L104-C108 PolarHBondContact O-SG 2.96Å; L104-A116 HydrophobicContact CD1-CB 3.77Å; L104-L119 HydrophobicContact CB-CD1 4.37Å; L104-L119 HydrophobicContact CD1-CB 4.15Å; L104-L119 HydrophobicContact CD1-CD1 4.28Å; L104-V120 HydrophobicContact CD1-CG2 4.2Å; L104-V120 HydrophobicContact CD2-CG2 3.87Å; L104-A124 HydrophobicContact CB-CB 4.39Å; L104-A124 HydrophobicContact CD2-CB 4.1Å; L104-V126 HydrophobicContact CD2-CG1 4.07Å; L104-P136 HydrophobicContact CB-CB 4.26Å; L104-P136 HydrophobicContact CB-CG 4.28Å; L104-P136 HydrophobicContact CD2-CB 3.95Å; L104-P136 HydrophobicContact CD2-CG 3.98Å; L104-P136 HydrophobicContact CG-CB 3.71Å; L104-P136 HydrophobicContact CG-CG 4.08Å
105H96.6Very high92.2Very high3 Ų339.4 Ų39.41%0.01419%0.187CC..Hα-helixtrans-59.5-44172.9-73.683.9000111.1N101 T102 C108 F109 I128 E134 P136N101-H105 HydrophobicContact CB-CB 3.91Å; T102-H105 PolarHBondContact N-ND1 3.37Å; T102-H105 WeakPolarHBondContact O-CB 3.24Å; T102-H105 PolarHBondContact O-N 3.27Å; T102-H105 PolarHBondContact OG1-N 2.9Å; T102-H105 PolarHBondContact OG1-ND1 2.98Å; H105-C108 PolarHBondContact O-N 3.47Å; H105-F109 VanDerWaalsContact O-CB 3.29Å; H105-F109 WeakPolarHBondContact O-CB 3.37Å; H105-F109 PolarHBondContact O-N 3.18Å; H105-I128 PolarHBondContact CE1-O 3.41Å; H105-I128 PolarHBondContact NE2-O 2.87Å; H105-E134 PolarHBondContact NE2-O 2.71Å; H105-P136 VanDerWaalsContact CE1-CD 3.41Å; H105-P136 WeakPolarHBondContact CE1-CD 3.35Å; H105-P136 WeakPolarHBondContact NE2-CD 3.35Å
106Y96.5Very high92.9Very high45 Ų4539.1 Ų39.118%0.17618%0.184CC..Hα-helixtrans-64-48.7177.2-82-89.6000111.8D68 H72 N97 N101 T102 P103 L104 C108 F109 W110D68-Y106 PolarHBondContact OD1-OH 3.47Å; D68-Y106 PolarHBondContact OD2-OH 2.94Å; H72-Y106 HydrophobicContact CB-CD2 4.29Å; H72-Y106 HydrophobicContact CB-CE2 4.32Å; H72-Y106 AromaticContact CD2-CD2 3.63Å; H72-Y106 AromaticContact CD2-CE2 3.58Å; N97-Y106 WeakPolarHBondContact ND2-CE2 3.16Å; N97-Y106 PolarHBondContact ND2-OH 3.01Å; N101-Y106 HydrophobicContact CB-CD2 4.31Å; N101-Y106 HydrophobicContact CB-CE2 3.97Å; T102-Y106 PolarHBondContact O-N 3.27Å; P103-Y106 PolarHBondContact O-N 3.25Å; L104-Y106 VanDerWaalsContact C-N 3.31Å; L104-Y106 PolarHBondContact O-N 2.98Å; Y106-C108 VanDerWaalsContact C-N 3.27Å; Y106-C108 PolarHBondContact O-N 3.47Å; Y106-F109 PolarHBondContact O-N 3.33Å; Y106-W110 AromaticContact CD1-NE1 3.98Å; Y106-W110 PolarHBondContact O-N 3.09Å
107A96.6Very high93.4Very high0 Ų039 Ų390%018%0.182CC..Hα-helixtrans-57.2-42.117700000111.6A75 P103 L104 G111 Q112 V115 A116 L119A75-A107 HydrophobicContact CB-CB 4.36Å; P103-A107 PolarHBondContact O-N 3.31Å; L104-A107 PolarHBondContact O-N 3.24Å; A107-G111 PolarHBondContact O-N 3.47Å; A107-G111 VanDerWaalsContact O-N 3.13Å; A107-Q112 HydrophobicContact CB-CB 4.31Å; A107-Q112 PolarHBondContact O-N 3.49Å; A107-V115 HydrophobicContact CB-CB 4.47Å; A107-V115 HydrophobicContact CB-CG1 4.04Å; A107-A116 HydrophobicContact CB-CB 4.06Å; A107-L119 HydrophobicContact CB-CD1 4.15Å
108C95.9Very high93.9Very high1 Ų140.1 Ų40.11%0.00719%0.188CC..Hα-helixtrans-67.2-46.8178.1-68.80000112.7L104 H105 Y106 W110 G111 P136 K139 A140 L144 L148L104-C108 WeakPolarHBondContact O-CB 3.17Å; L104-C108 PolarHBondContact O-N 3.11Å; L104-C108 PolarHBondContact O-SG 2.96Å; H105-C108 PolarHBondContact O-N 3.47Å; Y106-C108 VanDerWaalsContact C-N 3.27Å; Y106-C108 PolarHBondContact O-N 3.47Å; C108-W110 PolarHBondContact O-N 3.16Å; C108-G111 PolarHBondContact O-N 3.34Å; C108-P136 WeakPolarHBondContact CB-O 3.38Å; C108-K139 HydrophobicContact CB-CB 4.42Å; C108-A140 HydrophobicContact CB-CB 3.86Å; C108-L144 HydrophobicContact CB-CD2 4.48Å; C108-L148 WeakPolarHBondContact SG-CD1 3.47Å
109F95.6Very high94.4Very high120 Ų12035.9 Ų35.953%0.52617%0.168SC..Hα-helixtrans-62.4-41.4-179.1-179.6-98.4000112.3H105 Y106 G111 K139H105-F109 VanDerWaalsContact O-CB 3.29Å; H105-F109 WeakPolarHBondContact O-CB 3.37Å; H105-F109 PolarHBondContact O-N 3.18Å; Y106-F109 PolarHBondContact O-N 3.33Å; F109-G111 VanDerWaalsContact C-N 3.31Å; F109-K139 HydrophobicContact CB-CB 4.3Å; F109-K139 HydrophobicContact CD2-CD 4.23Å
110W94.5Very high94.8Very high152 Ų15232.6 Ų32.658%0.57615%0.153SC*.THydrogen-bonded Turntrans-85.5-0.5178.9-66.6107.2000113.7S76 Y106 C108 Q112S76-W110 WeakPolarHBondContact O-CB 3.34Å; Y106-W110 AromaticContact CD1-NE1 3.98Å; Y106-W110 PolarHBondContact O-N 3.09Å; C108-W110 PolarHBondContact O-N 3.16Å; W110-Q112 HydrophobicContact CB-CG 4.14Å
111G93.4Very high95.1Very high19 Ų1936.7 Ų36.720%0.19618%0.175CC..THydrogen-bonded Turntrans71.630.1176.900000114.6A107 C108 F109 N113A107-G111 PolarHBondContact O-N 3.47Å; A107-G111 VanDerWaalsContact O-N 3.13Å; C108-G111 PolarHBondContact O-N 3.34Å; F109-G111 VanDerWaalsContact C-N 3.31Å; G111-N113 VanDerWaalsContact C-N 3.33Å; G111-N113 PolarHBondContact O-N 3.43Å; G111-N113 VanDerWaalsContact O-N 3.08Å; G111-N113 PolarHBondContact O-OD1 2.54Å
112Q96.3Very high94.9Very high59 Ų5937.8 Ų37.828%0.27619%0.185SC..  trans-84.571.4-179.3-55.9-62.7-5.500111.2A75 S76 A107 W110 Q114 V115 A116A75-Q112 WeakPolarHBondContact O-CG 3.29Å; S76-Q112 PolarHBondContact O-NE2 3.05Å; A107-Q112 HydrophobicContact CB-CB 4.31Å; A107-Q112 PolarHBondContact O-N 3.49Å; W110-Q112 HydrophobicContact CB-CG 4.14Å; Q112-Q114 PolarHBondContact O-N 3.33Å; Q112-V115 HydrophobicContact CB-CB 4.1Å; Q112-V115 HydrophobicContact CB-CG2 4.42Å; Q112-V115 PolarHBondContact O-N 2.72Å; Q112-V115 VanDerWaalsContact O-N 3.14Å; Q112-A116 PolarHBondContact O-N 2.72Å
113N94.3Very high94.5Very high69 Ų6939.6 Ų39.637%0.36920%0.204SC..Hα-helixtrans-54.8-46.9-169.3-64.3-4.8000113.8G111 V115 A116 D117 L144G111-N113 VanDerWaalsContact C-N 3.33Å; G111-N113 PolarHBondContact O-N 3.43Å; G111-N113 VanDerWaalsContact O-N 3.08Å; G111-N113 PolarHBondContact O-OD1 2.54Å; N113-V115 VanDerWaalsContact C-N 3.34Å; N113-V115 PolarHBondContact O-N 3.4Å; N113-A116 PolarHBondContact O-N 2.66Å; N113-D117 WeakPolarHBondContact O-CB 3.45Å; N113-D117 PolarHBondContact O-N 2.83Å; N113-L144 HydrophobicContact CB-CD1 4.08Å; N113-L144 WeakPolarHBondContact OD1-CD2 3.47Å
114Q95.2Very high94.3Very high122 Ų12239.6 Ų39.657%0.5720%0.204SC*.Hα-helixtrans-66.9-35.9-178.5-61.7-175.39.800112.5Q112 D117 D118Q112-Q114 PolarHBondContact O-N 3.33Å; Q114-D117 WeakPolarHBondContact O-CB 3.49Å; Q114-D117 PolarHBondContact O-N 3.49Å; Q114-D118 PolarHBondContact O-N 3.48Å
115V96.8Very high94Very high2 Ų242.4 Ų42.41%0.01222%0.218CC..Hα-helixtrans-70.5-43.3177.51710000110.9A75 R80 V83 A107 Q112 N113 D117 D118 L119A75-V115 HydrophobicContact CB-CG1 3.96Å; R80-V115 HydrophobicContact CB-CG2 4.03Å; R80-V115 HydrophobicContact CG-CG2 4.46Å; V83-V115 HydrophobicContact CG1-CG1 4.25Å; V83-V115 HydrophobicContact CG2-CG1 3.91Å; V83-V115 HydrophobicContact CG2-CG2 4.5Å; A107-V115 HydrophobicContact CB-CB 4.47Å; A107-V115 HydrophobicContact CB-CG1 4.04Å; Q112-V115 HydrophobicContact CB-CB 4.1Å; Q112-V115 HydrophobicContact CB-CG2 4.42Å; Q112-V115 PolarHBondContact O-N 2.72Å; Q112-V115 VanDerWaalsContact O-N 3.14Å; N113-V115 VanDerWaalsContact C-N 3.34Å; N113-V115 PolarHBondContact O-N 3.4Å; V115-D117 VanDerWaalsContact C-N 3.25Å; V115-D117 PolarHBondContact O-N 2.72Å; V115-D118 PolarHBondContact O-N 2.91Å; V115-L119 HydrophobicContact CG1-CD1 3.89Å; V115-L119 HydrophobicContact CG1-CG 4.3Å; V115-L119 WeakPolarHBondContact O-CB 3.48Å; V115-L119 VanDerWaalsContact O-CG 3.31Å; V115-L119 WeakPolarHBondContact O-CG 3.22Å; V115-L119 PolarHBondContact O-N 3.31Å
116A96.3Very high93.8Very high0 Ų042.3 Ų42.30%022%0.218CC..Hα-helixtrans-59.5-40.8175.400000111.2L104 A107 Q112 N113 L119 V120 L144 L148L104-A116 HydrophobicContact CD1-CB 3.77Å; A107-A116 HydrophobicContact CB-CB 4.06Å; Q112-A116 PolarHBondContact O-N 2.72Å; N113-A116 PolarHBondContact O-N 2.66Å; A116-L119 PolarHBondContact O-N 3.43Å; A116-V120 PolarHBondContact O-N 3.26Å; A116-V120 VanDerWaalsContact O-N 3.12Å; A116-L144 HydrophobicContact CB-CD1 4.16Å; A116-L144 HydrophobicContact CB-CD2 4.18Å; A116-L148 HydrophobicContact CB-CD1 4.37Å; A116-L148 HydrophobicContact CB-CD2 4.13Å
117D94.4Very high93.5Very high39 Ų3940.3 Ų40.321%0.20921%0.21CC..Hα-helixtrans-60-48.3175.5-16971.2000112.5N113 Q114 V115 V120 N121 K151N113-D117 WeakPolarHBondContact O-CB 3.45Å; N113-D117 PolarHBondContact O-N 2.83Å; Q114-D117 WeakPolarHBondContact O-CB 3.49Å; Q114-D117 PolarHBondContact O-N 3.49Å; V115-D117 VanDerWaalsContact C-N 3.25Å; V115-D117 PolarHBondContact O-N 2.72Å; D117-V120 PolarHBondContact O-N 3.18Å; D117-N121 PolarHBondContact O-N 3.25Å; D117-N121 VanDerWaalsContact O-N 3.08Å; D117-N121 PolarHBondContact O-ND2 2.85Å; D117-K151 PolarHBondContact O-NZ 3.19Å; D117-K151 VanDerWaalsContact OD1-CD 3.29Å; D117-K151 WeakPolarHBondContact OD1-CD 3.5Å; D117-K151 WeakPolarHBondContact OD1-CE 3.45Å; D117-K151 IonicContact OD1-NZ 2.65Å; D117-K151 PolarHBondContact OD1-NZ 3.06Å; D117-K151 IonicContact OD2-NZ 2.76Å; D117-K151 PolarHBondContact OD2-NZ 3.47Å
118D94.5Very high93.1Very high28 Ų2841.1 Ų41.115%0.1522%0.215CC..Hα-helixtrans-66.8-36.6178.3-73.6-13.1000112.7R80 Q114 V115 N121 S122R80-D118 WeakPolarHBondContact CG-OD2 3.36Å; R80-D118 IonicContact CZ-OD1 3.81Å; R80-D118 IonicContact CZ-OD2 3.77Å; R80-D118 IonicContact NE-OD1 3.93Å; R80-D118 IonicContact NE-OD2 3.73Å; R80-D118 PolarHBondContact NE-OD2 2.86Å; R80-D118 IonicContact NH2-OD1 2.81Å; R80-D118 PolarHBondContact NH2-OD1 2.94Å; R80-D118 IonicContact NH2-OD2 2.97Å; R80-D118 PolarHBondContact NH2-OD2 3.28Å; Q114-D118 PolarHBondContact O-N 3.48Å; V115-D118 PolarHBondContact O-N 2.91Å; D118-N121 WeakPolarHBondContact O-CB 3.28Å; D118-N121 PolarHBondContact O-N 2.89Å; D118-S122 WeakPolarHBondContact O-CB 3.29Å; D118-S122 PolarHBondContact O-N 3.33Å; D118-S122 PolarHBondContact O-OG 3.24Å
119L94.7Very high92.8Very high0 Ų041.3 Ų41.30%022%0.216CC..Hα-helixtrans-63.4-45.1176.5-78169.9000111.2L71 A75 V83 I87 T93 P103 L104 A107 V115 A116 S122 G123 A124L71-L119 HydrophobicContact CD1-CD2 4.33Å; L71-L119 HydrophobicContact CD2-CD2 4.25Å; A75-L119 HydrophobicContact CB-CD1 4.19Å; V83-L119 HydrophobicContact CG1-CD2 4.23Å; V83-L119 HydrophobicContact CG1-CG 4.38Å; I87-L119 HydrophobicContact CD1-CD2 4.13Å; T93-L119 HydrophobicContact CG2-CD2 4.27Å; P103-L119 HydrophobicContact CB-CD1 4.26Å; P103-L119 HydrophobicContact CB-CD2 4.45Å; L104-L119 HydrophobicContact CB-CD1 4.37Å; L104-L119 HydrophobicContact CD1-CB 4.15Å; L104-L119 HydrophobicContact CD1-CD1 4.28Å; A107-L119 HydrophobicContact CB-CD1 4.15Å; V115-L119 HydrophobicContact CG1-CD1 3.89Å; V115-L119 HydrophobicContact CG1-CG 4.3Å; V115-L119 WeakPolarHBondContact O-CB 3.48Å; V115-L119 VanDerWaalsContact O-CG 3.31Å; V115-L119 WeakPolarHBondContact O-CG 3.22Å; V115-L119 PolarHBondContact O-N 3.31Å; A116-L119 PolarHBondContact O-N 3.43Å; L119-S122 CarbonylContact O-C 3.55Å; L119-S122 WeakPolarHBondContact O-CA 3.45Å; L119-S122 PolarHBondContact O-N 2.95Å; L119-G123 PolarHBondContact O-N 2.88Å; L119-A124 VanDerWaalsContact C-CB 3.48Å; L119-A124 HydrophobicContact CB-CB 3.92Å; L119-A124 WeakPolarHBondContact O-CB 3.44Å; L119-A124 PolarHBondContact O-N 2.83Å
120V94.4Very high92.6Very high0 Ų035.7 Ų35.70%019%0.191CC..Hα-helixtrans-65.3-40.9176.3173.20000111.3L104 A116 D117 S122 G123 V126 L148 K151 M155L104-V120 HydrophobicContact CD1-CG2 4.2Å; L104-V120 HydrophobicContact CD2-CG2 3.87Å; A116-V120 PolarHBondContact O-N 3.26Å; A116-V120 VanDerWaalsContact O-N 3.12Å; D117-V120 PolarHBondContact O-N 3.18Å; V120-S122 PolarHBondContact O-N 3.43Å; V120-S122 VanDerWaalsContact O-N 3.12Å; V120-G123 PolarHBondContact O-N 2.75Å; V120-G123 VanDerWaalsContact O-N 3.11Å; V120-V126 HydrophobicContact CG2-CG1 3.8Å; V120-L148 HydrophobicContact CG2-CD2 3.76Å; V120-K151 HydrophobicContact CG1-CD 4.24Å; V120-K151 HydrophobicContact CG1-CG 4.15Å; V120-M155 HydrophobicContact CG1-CE 4.43Å; V120-M155 HydrophobicContact CG1-SD 3.9Å
121N92.6Very high92.3Very high85 Ų8533 Ų3346%0.45518%0.184SC..Hα-helixtrans-55-28.9170.8-82.7-26000113.1D117 D118 K151 M155D117-N121 PolarHBondContact O-N 3.25Å; D117-N121 VanDerWaalsContact O-N 3.08Å; D117-N121 PolarHBondContact O-ND2 2.85Å; D118-N121 WeakPolarHBondContact O-CB 3.28Å; D118-N121 PolarHBondContact O-N 2.89Å; N121-K151 PolarHBondContact ND2-NZ 2.9Å; N121-K151 WeakPolarHBondContact OD1-CE 3.49Å; N121-K151 PolarHBondContact OD1-NZ 3.47Å; N121-M155 HydrophobicContact CB-CE 4.39Å; N121-M155 WeakPolarHBondContact OD1-CE 3.09Å
122S88.6Confident92.2Very high49 Ų4939.5 Ų39.534%0.34320%0.203SC..THydrogen-bonded Turntrans-101.420.9-175.9-51.40000112.8D118 L119 V120D118-S122 WeakPolarHBondContact O-CB 3.29Å; D118-S122 PolarHBondContact O-N 3.33Å; D118-S122 PolarHBondContact O-OG 3.24Å; L119-S122 CarbonylContact O-C 3.55Å; L119-S122 WeakPolarHBondContact O-CA 3.45Å; L119-S122 PolarHBondContact O-N 2.95Å; V120-S122 PolarHBondContact O-N 3.43Å; V120-S122 VanDerWaalsContact O-N 3.12Å
123G85.7Confident91.8Very high39 Ų3938.4 Ų38.440%0.40221%0.208SC..THydrogen-bonded Turntrans86.114.717300000115.5N94 L119 V120N94-G123 PolarHBondContact ND2-O 3.12Å; L119-G123 PolarHBondContact O-N 2.88Å; V120-G123 PolarHBondContact O-N 2.75Å; V120-G123 VanDerWaalsContact O-N 3.11Å
124A90.4Very high91.7Very high0 Ų037.8 Ų37.80%020%0.203CC..  trans-66.9134.5169.200000110.6N94 L104 L119 Q157N94-A124 WeakPolarHBondContact OD1-CA 3.29Å; L104-A124 HydrophobicContact CB-CB 4.39Å; L104-A124 HydrophobicContact CD2-CB 4.1Å; L119-A124 VanDerWaalsContact C-CB 3.48Å; L119-A124 HydrophobicContact CB-CB 3.92Å; L119-A124 WeakPolarHBondContact O-CB 3.44Å; L119-A124 PolarHBondContact O-N 2.83Å; A124-Q157 PolarHBondContact O-NE2 2.92Å; A124-Q157 PolarHBondContact O-OE1 2.87Å
125L90.3Very high91.6Very high59 Ų5932.2 Ų32.231%0.30918%0.177SC..  trans-89124.8-178.5-65175.1000110.7N94 S127 I128 I162N94-L125 PolarHBondContact OD1-N 3.33Å; L125-S127 PolarHBondContact O-N 3.36Å; L125-I128 HydrophobicContact CB-CD1 3.79Å; L125-I128 HydrophobicContact CB-CG1 3.84Å; L125-I128 HydrophobicContact CD1-CD1 4.09Å; L125-I128 HydrophobicContact CD1-CG1 4.24Å; L125-I128 HydrophobicContact CG-CD1 4.44Å; L125-I162 HydrophobicContact CD1-CD1 4.11Å
126V93Very high91.4Very high0 Ų032.1 Ų32.10%018%0.177CC..THydrogen-bonded Turntrans-76.6-9.4178-610000113.7L104 V120 P136 M137 L148 A152 L159L104-V126 HydrophobicContact CD2-CG1 4.07Å; V120-V126 HydrophobicContact CG2-CG1 3.8Å; V126-P136 WeakPolarHBondContact O-CD 3.49Å; V126-M137 HydrophobicContact CB-CE 4.09Å; V126-M137 HydrophobicContact CB-CG 4.07Å; V126-M137 HydrophobicContact CB-SD 4.03Å; V126-M137 HydrophobicContact CG2-CE 3.92Å; V126-M137 HydrophobicContact CG2-SD 4.12Å; V126-L148 HydrophobicContact CG1-CB 4.49Å; V126-A152 HydrophobicContact CB-CB 4.44Å; V126-A152 HydrophobicContact CG1-CB 4.06Å; V126-A152 HydrophobicContact CG2-CB 3.54Å; V126-L159 HydrophobicContact CG2-CD2 3.92Å
127S90.8Very high91.2Very high3 Ų332.8 Ų32.82%0.02118%0.18CC..THydrogen-bonded Turntrans-105.7-2.8-170.753.30000114.9L125 C129 S158 A160 I162L125-S127 PolarHBondContact O-N 3.36Å; S127-C129 PolarHBondContact O-N 3.32Å; S127-S158 WeakPolarHBondContact CB-O 3.26Å; S127-S158 PolarHBondContact OG-O 3.35Å; S127-A160 VanDerWaalsContact CB-O 3.28Å; S127-A160 WeakPolarHBondContact CB-O 3.45Å; S127-I162 PolarHBondContact O-N 3.34Å; S127-I162 WeakPolarHBondContact OG-CD1 3.32Å
128I87.3Confident91.2Very high17 Ų1734 Ų349%0.08719%0.186CC..BIsolated β-bridgetrans-65.3123.7176.5-65.7170.8000109.5N94 V96 T102 H105 L125 P136 I162N94-I128 HydrophobicContact CB-CD1 3.92Å; V96-I128 HydrophobicContact CG1-CG2 4.35Å; T102-I128 HydrophobicContact CG2-CB 4.26Å; T102-I128 HydrophobicContact CG2-CD1 3.89Å; T102-I128 HydrophobicContact CG2-CG2 3.87Å; H105-I128 PolarHBondContact CE1-O 3.41Å; H105-I128 PolarHBondContact NE2-O 2.87Å; L125-I128 HydrophobicContact CB-CD1 3.79Å; L125-I128 HydrophobicContact CB-CG1 3.84Å; L125-I128 HydrophobicContact CD1-CD1 4.09Å; L125-I128 HydrophobicContact CD1-CG1 4.24Å; L125-I128 HydrophobicContact CG-CD1 4.44Å; I128-P136 VanDerWaalsContact O-CD 3.23Å; I128-P136 WeakPolarHBondContact O-CD 3.23Å; I128-I162 HydrophobicContact CG1-CD1 4.37Å
129C90.6Very high91Very high5 Ų535.7 Ų35.73%0.03419%0.193CC..  trans-86.7144172.1-66.70000111.5S127 E134 I162 F164S127-C129 PolarHBondContact O-N 3.32Å; C129-E134 CarbonylContact C-O 3.59Å; C129-E134 VanDerWaalsContact CA-O 3.3Å; C129-E134 WeakPolarHBondContact CA-O 3.29Å; C129-I162 VanDerWaalsContact CB-O 3.3Å; C129-I162 WeakPolarHBondContact CB-O 3.49Å; C129-I162 PolarHBondContact N-O 3.1Å; C129-F164 WeakPolarHBondContact O-CB 3.49Å
130N90.3Very high90.9Very high2 Ų236 Ų361%0.01120%0.195CC..  trans-80.9-178.6165.571.111.1000111.6H99 G100 N101 Y132 G133 E134 F164H99-N130 WeakPolarHBondContact O-CB 3.3Å; G100-N130 WeakPolarHBondContact O-CA 3.3Å; N101-N130 VanDerWaalsContact OD1-CB 3.3Å; N101-N130 WeakPolarHBondContact OD1-CB 3.15Å; N101-N130 PolarHBondContact OD1-ND2 3.16Å; N130-Y132 PolarHBondContact O-N 3.42Å; N130-Y132 WeakPolarHBondContact OD1-CA 3.47Å; N130-Y132 WeakPolarHBondContact OD1-CB 3.47Å; N130-Y132 PolarHBondContact OD1-N 3.41Å; N130-G133 PolarHBondContact O-N 3.49Å; N130-G133 PolarHBondContact OD1-N 2.99Å; N130-E134 PolarHBondContact N-O 3.19Å; N130-E134 PolarHBondContact ND2-OE2 2.89Å; N130-E134 VanDerWaalsContact ND2-OE2 3.1Å; N130-E134 PolarHBondContact OD1-N 2.9Å; N130-E134 PolarHBondContact OD1-O 3.11Å; N130-F164 VanDerWaalsContact O-CB 3.32Å; N130-F164 WeakPolarHBondContact O-CB 3.34Å
131K89.4Confident90.8Very high97 Ų9742.5 Ų42.542%0.42222%0.223SC..THydrogen-bonded Turntrans-57.3-20.4177.4-79.1-174.7175.61760114.4E98 H99 F164E98-K131 WeakPolarHBondContact O-CD 3.35Å; E98-K131 WeakPolarHBondContact O-CE 3.43Å; E98-K131 PolarHBondContact O-NZ 2.94Å; H99-K131 WeakPolarHBondContact O-CB 3.22Å; H99-K131 WeakPolarHBondContact O-CG 3.44Å; H99-K131 PolarHBondContact O-N 3.4Å; K131-F164 HydrophobicContact CB-CD1 4.39Å; K131-F164 HydrophobicContact CD-CE1 3.99Å; K131-F164 HydrophobicContact CD-CZ 4.21Å; K131-F164 VanDerWaalsContact CE-CZ 3.41Å; K131-F164 HydrophobicContact CG-CD1 3.51Å; K131-F164 HydrophobicContact CG-CD2 4.38Å; K131-F164 HydrophobicContact CG-CE1 3.32Å; K131-F164 HydrophobicContact CG-CE2 4.22Å; K131-F164 HydrophobicContact CG-CG 4.06Å; K131-F164 HydrophobicContact CG-CZ 3.7Å
132Y89.6Confident90.7Very high154 Ų15443.2 Ų43.260%0.60423%0.233SC*.THydrogen-bonded Turntrans-942.4179.6-48.1-69.9000112.8N130 E134N130-Y132 PolarHBondContact O-N 3.42Å; N130-Y132 WeakPolarHBondContact OD1-CA 3.47Å; N130-Y132 WeakPolarHBondContact OD1-CB 3.47Å; N130-Y132 PolarHBondContact OD1-N 3.41Å; Y132-E134 VanDerWaalsContact C-N 3.26Å; Y132-E134 PolarHBondContact O-N 2.89Å
133G89Confident90.8Very high37 Ų3748.6 Ų48.638%0.38125%0.252SS..SBendtrans77.211.3-178.300000114.2N130 K161N130-G133 PolarHBondContact O-N 3.49Å; N130-G133 PolarHBondContact OD1-N 2.99Å; G133-K161 PolarHBondContact O-NZ 3.17Å
134E92.1Very high91.1Very high56 Ų5646.8 Ų46.826%0.26223%0.234SC..  trans-93.5136.9-178.8-54.3168.7119.200109.6H105 C129 N130 Y132 D138 K139H105-E134 PolarHBondContact NE2-O 2.71Å; C129-E134 CarbonylContact C-O 3.59Å; C129-E134 VanDerWaalsContact CA-O 3.3Å; C129-E134 WeakPolarHBondContact CA-O 3.29Å; N130-E134 PolarHBondContact N-O 3.19Å; N130-E134 PolarHBondContact ND2-OE2 2.89Å; N130-E134 VanDerWaalsContact ND2-OE2 3.1Å; N130-E134 PolarHBondContact OD1-N 2.9Å; N130-E134 PolarHBondContact OD1-O 3.11Å; Y132-E134 VanDerWaalsContact C-N 3.26Å; Y132-E134 PolarHBondContact O-N 2.89Å; E134-D138 HydrophobicContact CB-CB 4.19Å; E134-K139 VanDerWaalsContact CD-CE 3.42Å; E134-K139 WeakPolarHBondContact OE1-CE 3.32Å; E134-K139 IonicContact OE1-NZ 3.56Å; E134-K139 PolarHBondContact OE1-NZ 2.77Å; E134-K139 WeakPolarHBondContact OE2-CE 3.41Å; E134-K139 IonicContact OE2-NZ 2.93Å; E134-K139 PolarHBondContact OE2-NZ 2.84Å
135T93.6Very high91.2Very high4 Ų450.5 Ų50.53%0.02525%0.248CC..  trans-88.8165.5172.261.70000111M137 D138 K139 K161T135-M137 PolarHBondContact O-N 2.75Å; T135-D138 PolarHBondContact N-OD2 3.22Å; T135-D138 WeakPolarHBondContact O-CB 3.39Å; T135-D138 PolarHBondContact O-N 3.41Å; T135-D138 PolarHBondContact OG1-N 3.29Å; T135-D138 PolarHBondContact OG1-OD2 3.03Å; T135-K139 PolarHBondContact O-N 3.04Å; T135-K161 HydrophobicContact CG2-CD 4.3Å; T135-K161 HydrophobicContact CG2-CG 4.01Å
136P92.4Very high91.3Very high0 Ų052.7 Ų52.70%026%0.256CS..Hα-helixtrans-53.9-38.6172.1-20.825.4000112.4L104 H105 C108 V126 I128 D138 K139 A140L104-P136 HydrophobicContact CB-CB 4.26Å; L104-P136 HydrophobicContact CB-CG 4.28Å; L104-P136 HydrophobicContact CD2-CB 3.95Å; L104-P136 HydrophobicContact CD2-CG 3.98Å; L104-P136 HydrophobicContact CG-CB 3.71Å; L104-P136 HydrophobicContact CG-CG 4.08Å; H105-P136 VanDerWaalsContact CE1-CD 3.41Å; H105-P136 WeakPolarHBondContact CE1-CD 3.35Å; H105-P136 WeakPolarHBondContact NE2-CD 3.35Å; C108-P136 WeakPolarHBondContact CB-O 3.38Å; V126-P136 WeakPolarHBondContact O-CD 3.49Å; I128-P136 VanDerWaalsContact O-CD 3.23Å; I128-P136 WeakPolarHBondContact O-CD 3.23Å; P136-D138 VanDerWaalsContact C-N 3.3Å; P136-D138 PolarHBondContact O-N 2.76Å; P136-K139 PolarHBondContact O-N 3.27Å; P136-A140 PolarHBondContact O-N 3.17Å; P136-A140 VanDerWaalsContact O-N 3.08Å
137M92.4Very high91.3Very high14 Ų1456.3 Ų56.37%0.06928%0.275CS..Hα-helixtrans-63.5-33.5176.7-69.4-171.6-64.800113V126 T135 K139 A140 R145 L148 R149 L159V126-M137 HydrophobicContact CB-CE 4.09Å; V126-M137 HydrophobicContact CB-CG 4.07Å; V126-M137 HydrophobicContact CB-SD 4.03Å; V126-M137 HydrophobicContact CG2-CE 3.92Å; V126-M137 HydrophobicContact CG2-SD 4.12Å; T135-M137 PolarHBondContact O-N 2.75Å; M137-K139 VanDerWaalsContact C-N 3.3Å; M137-A140 WeakPolarHBondContact O-CB 3.49Å; M137-A140 PolarHBondContact O-N 3.44Å; M137-R145 HydrophobicContact CB-CG 4.22Å; M137-R145 PolarHBondContact O-NE 2.84Å; M137-R145 PolarHBondContact O-NH2 3.46Å; M137-L148 HydrophobicContact CG-CB 4.44Å; M137-R149 HydrophobicContact SD-CB 4.39Å; M137-L159 HydrophobicContact CE-CD2 4.26Å
138D92.7Very high91.3Very high64 Ų6456.2 Ų56.234%0.34227%0.274SS..Hα-helixtrans-67.3-34.6176.8-64.6-39.7000110.9E134 T135 P136 R145 K161E134-D138 HydrophobicContact CB-CB 4.19Å; T135-D138 PolarHBondContact N-OD2 3.22Å; T135-D138 WeakPolarHBondContact O-CB 3.39Å; T135-D138 PolarHBondContact O-N 3.41Å; T135-D138 PolarHBondContact OG1-N 3.29Å; T135-D138 PolarHBondContact OG1-OD2 3.03Å; P136-D138 VanDerWaalsContact C-N 3.3Å; P136-D138 PolarHBondContact O-N 2.76Å; D138-R145 PolarHBondContact O-NH2 3.45Å; D138-K161 IonicContact OD2-NZ 3.24Å; D138-K161 PolarHBondContact OD2-NZ 3.45Å
139K91.9Very high91.6Very high64 Ų6459.5 Ų59.528%0.27829%0.286SS..Hα-helixtrans-79.3-16.4174.3-65.8-55.3-162.4-168.50114.4C108 F109 E134 T135 P136 M137C108-K139 HydrophobicContact CB-CB 4.42Å; F109-K139 HydrophobicContact CB-CB 4.3Å; F109-K139 HydrophobicContact CD2-CD 4.23Å; E134-K139 VanDerWaalsContact CD-CE 3.42Å; E134-K139 WeakPolarHBondContact OE1-CE 3.32Å; E134-K139 IonicContact OE1-NZ 3.56Å; E134-K139 PolarHBondContact OE1-NZ 2.77Å; E134-K139 WeakPolarHBondContact OE2-CE 3.41Å; E134-K139 IonicContact OE2-NZ 2.93Å; E134-K139 PolarHBondContact OE2-NZ 2.84Å; T135-K139 PolarHBondContact O-N 3.04Å; P136-K139 PolarHBondContact O-N 3.27Å; M137-K139 VanDerWaalsContact C-N 3.3Å
140A92.6Very high91.6Very high6 Ų665.8 Ų65.85%0.0531%0.314CS..SBendtrans-75150.3-179.600000112.2C108 P136 M137 L144 R145C108-A140 HydrophobicContact CB-CB 3.86Å; P136-A140 PolarHBondContact O-N 3.17Å; P136-A140 VanDerWaalsContact O-N 3.08Å; M137-A140 WeakPolarHBondContact O-CB 3.49Å; M137-A140 PolarHBondContact O-N 3.44Å; A140-L144 HydrophobicContact CB-CB 4.23Å; A140-L144 HydrophobicContact CB-CD2 4.08Å; A140-L144 HydrophobicContact CB-CG 4.14Å; A140-R145 HydrophobicContact CB-CB 4.25Å; A140-R145 PolarHBondContact O-NH2 2.83Å
141K92Very high91.6Very high138 Ų13867 Ų6760%0.632%0.32SS*.  trans-61.5154.9165.9-66.8-178.8-179.2176.50110.5E143 L144 R145K141-E143 VanDerWaalsContact C-N 3.31Å; K141-E143 PolarHBondContact O-N 3.15Å; K141-L144 PolarHBondContact O-N 3.05Å; K141-L144 VanDerWaalsContact O-N 3.12Å; K141-R145 WeakPolarHBondContact O-CB 3.47Å; K141-R145 PolarHBondContact O-N 3.49Å
142P91.1Very high91.6Very high100 Ų10062.4 Ų62.465%0.64930%0.3SS*.Hα-helixtrans-52.2-44.5-176.4-27.935000114.2R145 E146P142-R145 WeakPolarHBondContact O-CB 3.41Å; P142-R145 PolarHBondContact O-N 3.47Å; P142-E146 PolarHBondContact O-N 3.42Å
143E90.6Very high91.7Very high161 Ų16160.2 Ų60.275%0.75230%0.295SS*.Hα-helixtrans-62.2-46.1179.2-63.5171-173.700112.5K141 L147K141-E143 VanDerWaalsContact C-N 3.31Å; K141-E143 PolarHBondContact O-N 3.15Å; E143-L147 PolarHBondContact O-N 3.34Å
144L91.7Very high91.8Very high2 Ų267.3 Ų67.31%0.0132%0.315CS..Hα-helixtrans-69.2-36178.9179.761.6000111.3C108 N113 A116 A140 K141 L147 L148C108-L144 HydrophobicContact CB-CD2 4.48Å; N113-L144 HydrophobicContact CB-CD1 4.08Å; N113-L144 WeakPolarHBondContact OD1-CD2 3.47Å; A116-L144 HydrophobicContact CB-CD1 4.16Å; A116-L144 HydrophobicContact CB-CD2 4.18Å; A140-L144 HydrophobicContact CB-CB 4.23Å; A140-L144 HydrophobicContact CB-CD2 4.08Å; A140-L144 HydrophobicContact CB-CG 4.14Å; K141-L144 PolarHBondContact O-N 3.05Å; K141-L144 VanDerWaalsContact O-N 3.12Å; L144-L147 HydrophobicContact CD1-CD2 4.24Å; L144-L147 PolarHBondContact O-N 3.46Å; L144-L148 HydrophobicContact CD1-CD1 4.07Å; L144-L148 HydrophobicContact CD1-CD2 4.31Å; L144-L148 HydrophobicContact CD1-CG 3.91Å; L144-L148 HydrophobicContact CD2-CD1 4.32Å; L144-L148 HydrophobicContact CG-CD1 3.81Å; L144-L148 HydrophobicContact CG-CG 4.11Å; L144-L148 WeakPolarHBondContact O-CB 2.87Å; L144-L148 VanDerWaalsContact O-CG 3.22Å; L144-L148 WeakPolarHBondContact O-CG 3Å; L144-L148 PolarHBondContact O-N 2.86Å
145R92.6Very high91.6Very high78 Ų7868.5 Ų68.529%0.29432%0.322SS..Hα-helixtrans-59.2-48.9177.7179.2-176.8-61.3168.62.2111.5M137 D138 A140 K141 P142 L148 R149M137-R145 HydrophobicContact CB-CG 4.22Å; M137-R145 PolarHBondContact O-NE 2.84Å; M137-R145 PolarHBondContact O-NH2 3.46Å; D138-R145 PolarHBondContact O-NH2 3.45Å; A140-R145 HydrophobicContact CB-CB 4.25Å; A140-R145 PolarHBondContact O-NH2 2.83Å; K141-R145 WeakPolarHBondContact O-CB 3.47Å; K141-R145 PolarHBondContact O-N 3.49Å; P142-R145 WeakPolarHBondContact O-CB 3.41Å; P142-R145 PolarHBondContact O-N 3.47Å; R145-L148 PolarHBondContact O-N 3.26Å; R145-R149 WeakPolarHBondContact O-CB 3.14Å; R145-R149 PolarHBondContact O-N 3.05Å
146E92.1Very high91.3Very high105 Ų10571.5 Ų71.549%0.49135%0.354SS..Hα-helixtrans-67.2-39.5179.8-63.3-47.7125.100111.4P142 L148 R149 E150P142-E146 PolarHBondContact O-N 3.42Å; E146-L148 PolarHBondContact O-N 3.13Å; E146-R149 PolarHBondContact O-N 2.86Å; E146-R149 IonicContact OE1-NE 3.91Å; E146-R149 IonicContact OE2-NE 3.56Å; E146-E150 PolarHBondContact O-N 3.39Å
147L91.9Very high91.2Very high76 Ų7673 Ų7340%0.39836%0.36SS..Hα-helixtrans-58.3-48.3173.2-178.569.5000112.1E143 L144 R149 K151E143-L147 PolarHBondContact O-N 3.34Å; L144-L147 HydrophobicContact CD1-CD2 4.24Å; L144-L147 PolarHBondContact O-N 3.46Å; L147-R149 VanDerWaalsContact C-N 3.34Å; L147-K151 WeakPolarHBondContact O-CB 3.34Å; L147-K151 PolarHBondContact O-N 3.45Å
148L91.9Very high90.9Very high0 Ų076.1 Ų76.10%038%0.384CS..Hα-helixtrans-67.8-34.8180-67.6175000111.9C108 A116 V120 V126 M137 L144 R145 E146 A152C108-L148 WeakPolarHBondContact SG-CD1 3.47Å; A116-L148 HydrophobicContact CB-CD1 4.37Å; A116-L148 HydrophobicContact CB-CD2 4.13Å; V120-L148 HydrophobicContact CG2-CD2 3.76Å; V126-L148 HydrophobicContact CG1-CB 4.49Å; M137-L148 HydrophobicContact CG-CB 4.44Å; L144-L148 HydrophobicContact CD1-CD1 4.07Å; L144-L148 HydrophobicContact CD1-CD2 4.31Å; L144-L148 HydrophobicContact CD1-CG 3.91Å; L144-L148 HydrophobicContact CD2-CD1 4.32Å; L144-L148 HydrophobicContact CG-CD1 3.81Å; L144-L148 HydrophobicContact CG-CG 4.11Å; L144-L148 WeakPolarHBondContact O-CB 2.87Å; L144-L148 VanDerWaalsContact O-CG 3.22Å; L144-L148 WeakPolarHBondContact O-CG 3Å; L144-L148 PolarHBondContact O-N 2.86Å; R145-L148 PolarHBondContact O-N 3.26Å; E146-L148 PolarHBondContact O-N 3.13Å; L148-A152 WeakPolarHBondContact O-CB 3.47Å; L148-A152 PolarHBondContact O-N 2.96Å
149R92.3Very high90.5Very high87 Ų8775.7 Ų75.733%0.32838%0.381SS..Hα-helixtrans-62.9-56.3174.8179.5-168.6-62.5-76.3-2.5111.1M137 R145 E146 L147 K151 A152 E153 L159M137-R149 HydrophobicContact SD-CB 4.39Å; R145-R149 WeakPolarHBondContact O-CB 3.14Å; R145-R149 PolarHBondContact O-N 3.05Å; E146-R149 PolarHBondContact O-N 2.86Å; E146-R149 IonicContact OE1-NE 3.91Å; E146-R149 IonicContact OE2-NE 3.56Å; L147-R149 VanDerWaalsContact C-N 3.34Å; R149-K151 PolarHBondContact O-N 2.82Å; R149-A152 PolarHBondContact O-N 2.95Å; R149-E153 WeakPolarHBondContact O-CG 3.4Å; R149-E153 PolarHBondContact O-N 2.81Å; R149-L159 HydrophobicContact CG-CD1 4.23Å
150E91.2Very high90.3Very high136 Ų13675.6 Ų75.664%0.63639%0.393SS*.Hα-helixtrans-55.4-41.3179.5-174.2-172.3163.400110.4E146 K154E146-E150 PolarHBondContact O-N 3.39Å; E150-K154 WeakPolarHBondContact O-CB 3.48Å; E150-K154 PolarHBondContact O-N 3.35Å
151K90.1Very high90.1Very high28 Ų2881 Ų8112%0.12242%0.415CS..Hα-helixtrans-69.6-43.4179.9-165.4170.1-170-174.60113.4D117 V120 N121 L147 R149 E153 K154 M155D117-K151 PolarHBondContact O-NZ 3.19Å; D117-K151 VanDerWaalsContact OD1-CD 3.29Å; D117-K151 WeakPolarHBondContact OD1-CD 3.5Å; D117-K151 WeakPolarHBondContact OD1-CE 3.45Å; D117-K151 IonicContact OD1-NZ 2.65Å; D117-K151 PolarHBondContact OD1-NZ 3.06Å; D117-K151 IonicContact OD2-NZ 2.76Å; D117-K151 PolarHBondContact OD2-NZ 3.47Å; V120-K151 HydrophobicContact CG1-CD 4.24Å; V120-K151 HydrophobicContact CG1-CG 4.15Å; N121-K151 PolarHBondContact ND2-NZ 2.9Å; N121-K151 WeakPolarHBondContact OD1-CE 3.49Å; N121-K151 PolarHBondContact OD1-NZ 3.47Å; L147-K151 WeakPolarHBondContact O-CB 3.34Å; L147-K151 PolarHBondContact O-N 3.45Å; R149-K151 PolarHBondContact O-N 2.82Å; K151-E153 VanDerWaalsContact C-N 3.32Å; K151-E153 PolarHBondContact O-N 3.09Å; K151-K154 PolarHBondContact O-N 3.45Å; K151-M155 HydrophobicContact CD-CE 4.4Å; K151-M155 HydrophobicContact CG-CE 4Å; K151-M155 WeakPolarHBondContact O-CG 3.36Å; K151-M155 PolarHBondContact O-N 2.93Å
152A90.4Very high89.7Confident0 Ų078 Ų780%041%0.405CS..Hα-helixtrans-61.5-42175.900000111.2V126 L148 R149 M155 G156 Q157 L159V126-A152 HydrophobicContact CB-CB 4.44Å; V126-A152 HydrophobicContact CG1-CB 4.06Å; V126-A152 HydrophobicContact CG2-CB 3.54Å; L148-A152 WeakPolarHBondContact O-CB 3.47Å; L148-A152 PolarHBondContact O-N 2.96Å; R149-A152 PolarHBondContact O-N 2.95Å; A152-M155 CarbonylContact O-C 3.55Å; A152-M155 PolarHBondContact O-N 3.37Å; A152-G156 PolarHBondContact O-N 2.93Å; A152-Q157 HydrophobicContact CB-CB 4.14Å; A152-Q157 WeakPolarHBondContact O-CB 3.43Å; A152-Q157 PolarHBondContact O-N 2.71Å; A152-L159 HydrophobicContact CB-CD2 4.05Å
153E91.4Very high89.3Confident109 Ų10977.2 Ų77.251%0.50940%0.399SS..Hα-helixtrans-62.3-45.8174.6-72.3175-17600111.7R149 K151 M155 G156 L159R149-E153 WeakPolarHBondContact O-CG 3.4Å; R149-E153 PolarHBondContact O-N 2.81Å; K151-E153 VanDerWaalsContact C-N 3.32Å; K151-E153 PolarHBondContact O-N 3.09Å; E153-M155 PolarHBondContact O-N 2.91Å; E153-G156 PolarHBondContact O-N 3.33Å; E153-L159 HydrophobicContact CG-CD1 4.05Å; E153-L159 WeakPolarHBondContact OE1-CD1 3.32Å
154K91.1Very high88.6Confident186 Ų18672.3 Ų72.381%0.80938%0.376SS*.Hα-helixtrans-60.3-30.4176.5-173175.1-179175.60113E150 K151 G156E150-K154 WeakPolarHBondContact O-CB 3.48Å; E150-K154 PolarHBondContact O-N 3.35Å; K151-K154 PolarHBondContact O-N 3.45Å; K154-G156 VanDerWaalsContact C-N 3.34Å
155M88.5Confident87.5Confident81 Ų8179.6 Ų79.640%0.39941%0.407SS..THydrogen-bonded Turntrans-87.10175.4-68.6-177.3-176.300113.8V120 N121 K151 A152 E153 Q157V120-M155 HydrophobicContact CG1-CE 4.43Å; V120-M155 HydrophobicContact CG1-SD 3.9Å; N121-M155 HydrophobicContact CB-CE 4.39Å; N121-M155 WeakPolarHBondContact OD1-CE 3.09Å; K151-M155 HydrophobicContact CD-CE 4.4Å; K151-M155 HydrophobicContact CG-CE 4Å; K151-M155 WeakPolarHBondContact O-CG 3.36Å; K151-M155 PolarHBondContact O-N 2.93Å; A152-M155 CarbonylContact O-C 3.55Å; A152-M155 PolarHBondContact O-N 3.37Å; E153-M155 PolarHBondContact O-N 2.91Å; M155-Q157 VanDerWaalsContact C-N 3.3Å; M155-Q157 HydrophobicContact CB-CG 4.33Å; M155-Q157 PolarHBondContact O-N 3.48Å
156G87Confident85.6Confident67 Ų6781.1 Ų81.169%0.69142%0.421SS*.THydrogen-bonded Turntrans70.422-178.200000114.1A152 E153 K154A152-G156 PolarHBondContact O-N 2.93Å; E153-G156 PolarHBondContact O-N 3.33Å; K154-G156 VanDerWaalsContact C-N 3.34Å
157Q89.2Confident83.1Confident30 Ų3080.4 Ų80.414%0.1443%0.428CS..  trans-72.7140.1175-63.9-166.115.100110.9A124 A152 M155 L159A124-Q157 PolarHBondContact O-NE2 2.92Å; A124-Q157 PolarHBondContact O-OE1 2.87Å; A152-Q157 HydrophobicContact CB-CB 4.14Å; A152-Q157 WeakPolarHBondContact O-CB 3.43Å; A152-Q157 PolarHBondContact O-N 2.71Å; M155-Q157 VanDerWaalsContact C-N 3.3Å; M155-Q157 HydrophobicContact CB-CG 4.33Å; M155-Q157 PolarHBondContact O-N 3.48Å; Q157-L159 PolarHBondContact O-N 2.73Å
158S86.1Confident80.2Confident81 Ų8183.6 Ų83.657%0.56644%0.439SS*.  trans-74.1126.3171.5-178.60000110.9S127 A160S127-S158 WeakPolarHBondContact CB-O 3.26Å; S127-S158 PolarHBondContact OG-O 3.35Å; S158-A160 PolarHBondContact O-N 3Å; S158-A160 WeakPolarHBondContact OG-CB 3.5Å; S158-A160 PolarHBondContact OG-N 3.24Å
159L86.1Confident77.2Confident55 Ų5591.2 Ų91.229%0.28847%0.468SS..  trans-800.6173.8-57.5-178.7000113V126 M137 R149 A152 E153 Q157 K161V126-L159 HydrophobicContact CG2-CD2 3.92Å; M137-L159 HydrophobicContact CE-CD2 4.26Å; R149-L159 HydrophobicContact CG-CD1 4.23Å; A152-L159 HydrophobicContact CB-CD2 4.05Å; E153-L159 HydrophobicContact CG-CD1 4.05Å; E153-L159 WeakPolarHBondContact OE1-CD1 3.32Å; Q157-L159 PolarHBondContact O-N 2.73Å; L159-K161 PolarHBondContact O-N 3.12Å
160A87.6Confident74.2Confident62 Ų6296.1 Ų96.151%0.51249%0.492SS..SBendtrans-65.6124.7176.700000110.2S127 S158 I162S127-A160 VanDerWaalsContact CB-O 3.28Å; S127-A160 WeakPolarHBondContact CB-O 3.45Å; S158-A160 PolarHBondContact O-N 3Å; S158-A160 WeakPolarHBondContact OG-CB 3.5Å; S158-A160 PolarHBondContact OG-N 3.24Å; A160-I162 PolarHBondContact O-N 3.35Å
161K86.8Confident71.3Confident119 Ų11993 Ų9352%0.51750%0.495SS..  trans-55.7122-179.9-71.4-166.4171.5-156.40110.6G133 T135 D138 L159 P163G133-K161 PolarHBondContact O-NZ 3.17Å; T135-K161 HydrophobicContact CG2-CD 4.3Å; T135-K161 HydrophobicContact CG2-CG 4.01Å; D138-K161 IonicContact OD2-NZ 3.24Å; D138-K161 PolarHBondContact OD2-NZ 3.45Å; L159-K161 PolarHBondContact O-N 3.12Å; K161-P163 WeakPolarHBondContact O-CD 3.41Å
162I84.9Confident68.3Low75 Ų7597.9 Ų97.939%0.38553%0.528SS..BIsolated β-bridgetrans-90.3107173.1-57.1171.3000106.3L125 S127 I128 C129 A160L125-I162 HydrophobicContact CD1-CD1 4.11Å; S127-I162 PolarHBondContact O-N 3.34Å; S127-I162 WeakPolarHBondContact OG-CD1 3.32Å; I128-I162 HydrophobicContact CG1-CD1 4.37Å; C129-I162 VanDerWaalsContact CB-O 3.3Å; C129-I162 WeakPolarHBondContact CB-O 3.49Å; C129-I162 PolarHBondContact N-O 3.1Å; A160-I162 PolarHBondContact O-N 3.35Å
163P81.8Confident65.5Low83 Ų83104.5 Ų104.554%0.53957%0.568SS.*PPolyproline II helixtrans-64.2142.1-174.526-33.7000110.8K161 K165K161-P163 WeakPolarHBondContact O-CD 3.41Å; P163-K165 PolarHBondContact O-N 2.91Å; P163-K165 VanDerWaalsContact O-N 3.12Å
164F76.9Confident62.7Low59 Ų59105.7 Ų105.726%0.25957%0.568SS.*PPolyproline II helixtrans-60.5116.9168.1-179.1-98.8000108.6C129 N130 K131 D166C129-F164 WeakPolarHBondContact O-CB 3.49Å; N130-F164 VanDerWaalsContact O-CB 3.32Å; N130-F164 WeakPolarHBondContact O-CB 3.34Å; K131-F164 HydrophobicContact CB-CD1 4.39Å; K131-F164 HydrophobicContact CD-CE1 3.99Å; K131-F164 HydrophobicContact CD-CZ 4.21Å; K131-F164 VanDerWaalsContact CE-CZ 3.41Å; K131-F164 HydrophobicContact CG-CD1 3.51Å; K131-F164 HydrophobicContact CG-CD2 4.38Å; K131-F164 HydrophobicContact CG-CE1 3.32Å; K131-F164 HydrophobicContact CG-CE2 4.22Å; K131-F164 HydrophobicContact CG-CG 4.06Å; K131-F164 HydrophobicContact CG-CZ 3.7Å; F164-D166 HydrophobicContact CD1-CB 4.47Å; F164-D166 HydrophobicContact CE1-CB 3.82Å
165K67.9Low59.9Low154 Ų154102.3 Ų102.367%0.6756%0.563SS**PPolyproline II helixtrans-96.4116.6170.6-68.2-177.2-179.9178.50107.3P163 S167P163-K165 PolarHBondContact O-N 2.91Å; P163-K165 VanDerWaalsContact O-N 3.12Å; K165-S167 PolarHBondContact O-N 2.91Å
166D51.9Low57.4Low110 Ų110104.2 Ų104.259%0.58857%0.566SS**  trans-72.670.5169.3-143.8-8.9000108F164 F168F164-D166 HydrophobicContact CD1-CB 4.47Å; F164-D166 HydrophobicContact CE1-CB 3.82Å; D166-F168 PolarHBondContact O-N 2.94Å
167S41.1Very low54.9Low90 Ų90104.8 Ų104.863%0.62956%0.557SS**  trans-7776.1-176-69.70000109.9K165 W169K165-S167 PolarHBondContact O-N 2.91Å; S167-W169 VanDerWaalsContact C-N 3.31Å; S167-W169 PolarHBondContact O-N 3.21Å; S167-W169 VanDerWaalsContact O-N 3.13Å
168F29.1Very low52.1Low144 Ų144106.8 Ų106.863%0.63256%0.564SS**  trans-7290.9150.7-103.5-96.8000109.4D166D166-F168 PolarHBondContact O-N 2.94Å
169W30.7Very low49.6Very low160 Ų160105.6 Ų105.661%0.60655%0.551SS**SBendtrans67110.7154.6-153-94.7000120.1S167 R178S167-W169 VanDerWaalsContact C-N 3.31Å; S167-W169 PolarHBondContact O-N 3.21Å; S167-W169 VanDerWaalsContact O-N 3.13Å; W169-R178 HydrophobicContact CE3-CG 4.48Å; W169-R178 HydrophobicContact CZ3-CB 4.09Å; W169-R178 HydrophobicContact CZ3-CG 3.92Å
170K27.6Very low47.2Very low190 Ų190104.7 Ų104.783%0.82656%0.555SS**  trans162.7110.1131.2-92.4-179.3-176-179.40108.8
171G31.3Very low45Very low69 Ų69105 Ų10571%0.71155%0.551SS**SBendtrans74.6143.4163.300000116.5
172T27.4Very low42.8Very low132 Ų132100 Ų10081%0.8153%0.529SS*.SBendtrans78.1103.317063.30000118R174T172-R174 PolarHBondContact O-N 2.91Å; T172-R174 VanDerWaalsContact O-N 3.11Å
173T31.3Very low40.7Very low138 Ų13897.3 Ų97.385%0.84752%0.516SS*.SBendtrans58.527.9138.754.90000120.8
174R31.5Very low38.8Very low135 Ų13599.4 Ų99.451%0.50952%0.517SS..  trans-133.499.6148.2-70.4-178.784.4111.93.6107.1D92 N94 V96 T172 R176D92-R174 IonicContact OD2-NH2 3.98Å; N94-R174 PolarHBondContact O-NH1 3.46Å; N94-R174 PolarHBondContact O-NH2 2.95Å; V96-R174 VanDerWaalsContact N-NH2 3.2Å; T172-R174 PolarHBondContact O-N 2.91Å; T172-R174 VanDerWaalsContact O-N 3.11Å; R174-R176 PolarHBondContact O-N 3.22Å
175T34.1Very low37.3Very low114 Ų114100 Ų10070%0.69952%0.522SS*.  trans-64.785.9170.9460000108.3P177T175-P177 WeakPolarHBondContact O-CD 3.32Å
176R35.8Very low36.3Very low121 Ų12197.4 Ų97.446%0.45753%0.529SS..  trans-56.5113.6150.5-171172.1169.2-173-5104.4R174 R178R174-R176 PolarHBondContact O-N 3.22Å; R176-R178 HydrophobicContact CB-CB 4.27Å; R176-R178 VanDerWaalsContact CD-CD 3.46Å; R176-R178 HydrophobicContact CG-CB 3.74Å; R176-R178 HydrophobicContact CG-CG 4.12Å; R176-R178 VanDerWaalsContact NE-CD 3.31Å; R176-R178 PolarHBondContact O-N 3.05Å
177P32.9Very low36.7Very low79 Ų7994.1 Ų94.151%0.51352%0.521SS..  trans-68.985.9156.8140.7000103.7M63 T175 N179M63-P177 HydrophobicContact CE-CG 4.15Å; T175-P177 WeakPolarHBondContact O-CD 3.32Å; P177-N179 PolarHBondContact O-N 3.24Å
178R32.2Very low38.3Very low72 Ų7290.2 Ų90.227%0.27249%0.494SS..SBendtrans-72.728.8-171.6-166.5151.1140.5165.1147.6112.7W169 R176W169-R178 HydrophobicContact CE3-CG 4.48Å; W169-R178 HydrophobicContact CZ3-CB 4.09Å; W169-R178 HydrophobicContact CZ3-CG 3.92Å; R176-R178 HydrophobicContact CB-CB 4.27Å; R176-R178 VanDerWaalsContact CD-CD 3.46Å; R176-R178 HydrophobicContact CG-CB 3.74Å; R176-R178 HydrophobicContact CG-CG 4.12Å; R176-R178 VanDerWaalsContact NE-CD 3.31Å; R176-R178 PolarHBondContact O-N 3.05Å
179N32.6Very low40.6Very low57 Ų5786.2 Ų86.231%0.30548%0.479SS..  trans-16598.4156.3-90.9-29.7000108.3P177 T181 L182P177-N179 PolarHBondContact O-N 3.24Å; N179-T181 PolarHBondContact O-N 3.24Å; N179-T181 PolarHBondContact OD1-OG1 3.48Å; N179-L182 HydrophobicContact CB-CD1 3.95Å; N179-L182 HydrophobicContact CB-CG 3.82Å; N179-L182 PolarHBondContact O-N 3.15Å
180G36.3Very low42.9Very low36 Ų3680.5 Ų80.537%0.37146%0.459SS..THydrogen-bonded Turntrans-57.4-9.9158.100000112.6K184G180-K184 VanDerWaalsContact O-CD 3.23Å; G180-K184 WeakPolarHBondContact O-CD 3.5Å; G180-K184 WeakPolarHBondContact O-CE 3.18Å; G180-K184 WeakPolarHBondContact O-CG 3.39Å
181T39.6Very low45.6Very low69 Ų6980.8 Ų80.842%0.42345%0.454SS..THydrogen-bonded Turntrans-72.3-34.2175.7-15.80000113.6N179 N183 K184N179-T181 PolarHBondContact O-N 3.24Å; N179-T181 PolarHBondContact OD1-OG1 3.48Å; T181-N183 PolarHBondContact O-N 3.32Å; T181-K184 PolarHBondContact O-N 3.36Å
182L40.9Very low48.2Very low12 Ų1282.3 Ų82.36%0.06344%0.443CS..THydrogen-bonded Turntrans-64.3-27.2179.6-65.5166.7000111.5N179 W212 L254N179-L182 HydrophobicContact CB-CD1 3.95Å; N179-L182 HydrophobicContact CB-CG 3.82Å; N179-L182 PolarHBondContact O-N 3.15Å; L182-W212 HydrophobicContact CB-CZ3 4.31Å; L182-W212 HydrophobicContact CD2-CD2 4.45Å; L182-W212 HydrophobicContact CD2-CE3 3.4Å; L182-W212 HydrophobicContact CD2-CH2 3.9Å; L182-W212 HydrophobicContact CD2-CZ3 3.08Å; L182-W212 HydrophobicContact CG-CZ3 4.26Å; L182-L254 HydrophobicContact CB-CD2 4.44Å
183N40.7Very low51Low20 Ų2077 Ų7711%0.10741%0.409CS..THydrogen-bonded Turntrans-89.2-18.3-177.2-62.9-20.7000113.2R59 T181 R243 F245R59-N183 PolarHBondContact NH1-ND2 2.89Å; T181-N183 PolarHBondContact O-N 3.32Å; N183-R243 PolarHBondContact O-NH2 2.95Å; N183-F245 WeakPolarHBondContact OD1-CD1 3.48Å; N183-F245 WeakPolarHBondContact OD1-CE1 3.05Å; N183-F245 WeakPolarHBondContact OD1-CZ 3.33Å
184K41.8Very low53.9Low127 Ų12774 Ų7455%0.55239%0.394SS*.THydrogen-bonded Turntrans-94.3-11.4-168.9-76.8173.3-172-171.30115G180 T181G180-K184 VanDerWaalsContact O-CD 3.23Å; G180-K184 WeakPolarHBondContact O-CD 3.5Å; G180-K184 WeakPolarHBondContact O-CE 3.18Å; G180-K184 WeakPolarHBondContact O-CG 3.39Å; T181-K184 PolarHBondContact O-N 3.36Å
185L45.5Very low56.7Low70 Ų7071.5 Ų71.537%0.36639%0.391SS..  trans-89121.1-176.8-66.9170.3000110.7G187 W212L185-G187 PolarHBondContact O-N 3.31Å; L185-W212 HydrophobicContact CD1-CH2 4.04Å; L185-W212 HydrophobicContact CD1-CZ2 3.85Å
186A47.1Very low59.4Low100 Ų10070.1 Ų70.183%0.82638%0.382SS*.SBendtrans-685.5177.500000114.2
187G61.8Low62Low41 Ų4168.6 Ų68.642%0.42338%0.38SS..  trans178.7140.8176.400000110.8L185L185-G187 PolarHBondContact O-N 3.31Å
188I73.7Confident64.9Low9 Ų968.2 Ų68.25%0.04637%0.37CS..  trans-99.7125.9172.2-59.2175.3000106.8H190 L193 W212 C257 I268I188-H190 PolarHBondContact O-N 2.86Å; I188-L193 HydrophobicContact CG2-CD2 3.86Å; I188-W212 HydrophobicContact CB-CZ2 4.4Å; I188-W212 HydrophobicContact CD1-CD2 4.37Å; I188-W212 HydrophobicContact CD1-CE3 4Å; I188-W212 HydrophobicContact CD1-CH2 3.63Å; I188-W212 HydrophobicContact CD1-CZ2 4.02Å; I188-W212 HydrophobicContact CD1-CZ3 3.57Å; I188-W212 HydrophobicContact CG1-CH2 3.69Å; I188-W212 HydrophobicContact CG1-CZ2 3.72Å; I188-W212 HydrophobicContact CG1-CZ3 4.17Å; I188-W212 HydrophobicContact CG2-CD2 4.26Å; I188-W212 HydrophobicContact CG2-CZ2 4.01Å; I188-C257 PolarHBondContact O-SG 3.37Å; I188-I268 HydrophobicContact CB-CD1 3.81Å; I188-I268 HydrophobicContact CD1-CB 4.36Å; I188-I268 HydrophobicContact CD1-CD1 3.51Å; I188-I268 HydrophobicContact CD1-CG2 4.46Å; I188-I268 HydrophobicContact CG1-CD1 4.22Å; I188-I268 HydrophobicContact CG2-CD1 3.67Å
189D76.9Confident67.5Low59 Ų5970.1 Ų70.132%0.31638%0.378SS..  trans-76.7124.5170.9-175.63000109.2R191 Q192D189-R191 PolarHBondContact O-N 3.41Å; D189-R191 VanDerWaalsContact O-N 3.08Å; D189-R191 PolarHBondContact OD1-N 3.19Å; D189-Q192 HydrophobicContact CB-CG 4.15Å; D189-Q192 WeakPolarHBondContact O-CB 3.35Å; D189-Q192 PolarHBondContact O-N 3.43Å
190H80.3Confident70.1Confident41 Ų4171.6 Ų71.619%0.1939%0.386CS..G310 helixtrans-54-28.3178.273-62.2000113.5I188 Q192 L193 C257 A262 I266I188-H190 PolarHBondContact O-N 2.86Å; H190-Q192 PolarHBondContact O-N 3.09Å; H190-L193 WeakPolarHBondContact O-CB 3.11Å; H190-L193 WeakPolarHBondContact O-CG 3.44Å; H190-L193 PolarHBondContact O-N 3.01Å; H190-L193 VanDerWaalsContact O-N 3.16Å; H190-C257 HydrophobicContact CB-CB 4.07Å; H190-A262 HydrophobicContact CB-CB 4.11Å; H190-I266 HydrophobicContact CB-CD1 4.05Å
191R84.4Confident72.7Confident195 Ų19574.9 Ų74.974%0.73639%0.391SS*.G310 helixtrans-68-19.8177.8-63.4176.7-178.9167.80.4113.5D189 L193D189-R191 PolarHBondContact O-N 3.41Å; D189-R191 VanDerWaalsContact O-N 3.08Å; D189-R191 PolarHBondContact OD1-N 3.19Å; R191-L193 VanDerWaalsContact C-N 3.29Å
192Q85.3Confident74.7Confident101 Ų10175 Ų7547%0.47239%0.39SS..G310 helixtrans-83.4-9.1177.2-59.5176.81.400112.3D189 H190D189-Q192 HydrophobicContact CB-CG 4.15Å; D189-Q192 WeakPolarHBondContact O-CB 3.35Å; D189-Q192 PolarHBondContact O-N 3.43Å; H190-Q192 PolarHBondContact O-N 3.09Å
193L87.2Confident76.7Confident20 Ų2079.9 Ų79.911%0.10541%0.412CS..  trans-83123-179.7-53.7177.7000109.7I188 H190 R191 L195 W212 I217 V219 I266 I268I188-L193 HydrophobicContact CG2-CD2 3.86Å; H190-L193 WeakPolarHBondContact O-CB 3.11Å; H190-L193 WeakPolarHBondContact O-CG 3.44Å; H190-L193 PolarHBondContact O-N 3.01Å; H190-L193 VanDerWaalsContact O-N 3.16Å; R191-L193 VanDerWaalsContact C-N 3.29Å; L193-L195 HydrophobicContact CB-CD2 4.47Å; L193-W212 HydrophobicContact CD2-CB 3.97Å; L193-W212 HydrophobicContact CD2-CG 3.97Å; L193-I217 HydrophobicContact CD2-CD1 3.73Å; L193-V219 HydrophobicContact CD1-CG1 4.34Å; L193-I266 HydrophobicContact CD1-CG2 4.34Å; L193-I268 HydrophobicContact CD1-CD1 3.96Å; L193-I268 HydrophobicContact CD1-CG1 4.37Å; L193-I268 HydrophobicContact CD2-CD1 3.79Å; L193-I268 HydrophobicContact CD2-CG1 4.47Å; L193-I268 HydrophobicContact CG-CD1 4.48Å
194S90.8Very high78.7Confident76 Ų7680.3 Ų80.353%0.53142%0.416SS..EExtended strand (participates in β ladder)trans-95.498.6170-60.70000109G210 R211S194-G210 CarbonylContact O-C 3.5Å; S194-G210 WeakPolarHBondContact O-CA 3.46Å; S194-R211 PolarHBondContact N-O 3.29Å; S194-R211 PolarHBondContact O-N 2.95Å
195L91.2Very high80.9Confident83 Ų8374.6 Ų74.644%0.43539%0.393SS..EExtended strand (participates in β ladder)trans-76.3129.6176.1-54.6-178.8000109.5L193 W208 V219L193-L195 HydrophobicContact CB-CD2 4.47Å; L195-W208 HydrophobicContact CB-CE3 4.03Å; L195-W208 HydrophobicContact CD1-CD2 4.22Å; L195-W208 HydrophobicContact CD1-CE3 4.41Å; L195-W208 HydrophobicContact CD1-CG 4.36Å; L195-W208 HydrophobicContact CD2-CB 4.07Å; L195-V219 HydrophobicContact CD2-CB 3.91Å; L195-V219 HydrophobicContact CD2-CG1 3.94Å; L195-V219 HydrophobicContact CD2-CG2 3.81Å
196T89.4Confident83.2Confident85 Ų8573 Ų7352%0.52138%0.384SS..EExtended strand (participates in β ladder)trans-105.2-60.3-176.753.80000111.8Q209T196-Q209 PolarHBondContact N-O 2.71Å; T196-Q209 PolarHBondContact OG1-O 2.78Å
197E90.9Very high85.4Confident88 Ų8870.6 Ų70.641%0.41136%0.357SS..EExtended strand (participates in β ladder)trans-134.1133.1-173-167-169.2148.400110.8R199 W208 Q209E197-R199 PolarHBondContact O-N 2.92Å; E197-R199 IonicContact OE1-CZ 2.97Å; E197-R199 VanDerWaalsContact OE1-CZ 3.27Å; E197-R199 IonicContact OE1-NE 3.63Å; E197-R199 IonicContact OE1-NH1 3.32Å; E197-R199 PolarHBondContact OE1-NH1 3.27Å; E197-R199 IonicContact OE1-NH2 2.85Å; E197-R199 IonicContact OE2-CZ 3.54Å; E197-R199 IonicContact OE2-NE 2.64Å; E197-R199 IonicContact OE2-NH1 2.91Å; E197-R199 PolarHBondContact OE2-NH1 3.47Å; E197-R199 VanDerWaalsContact OE2-NH1 3.09Å; E197-R199 IonicContact OE2-NH2 3.61Å; E197-R199 PolarHBondContact OE2-NH2 3.36Å; E197-W208 CarbonylContact O-C 3.43Å; E197-W208 WeakPolarHBondContact O-CA 3.27Å; E197-Q209 PolarHBondContact N-O 3.03Å; E197-Q209 PolarHBondContact O-N 3.26Å
198K93.2Very high87Confident71 Ų7171.4 Ų71.431%0.30935%0.347SS..EExtended strand (participates in β ladder)trans-81115.9171.2-170.1171.6179.61610109.3E201 E206 W208K198-E201 WeakPolarHBondContact CE-OE2 3.41Å; K198-E201 VanDerWaalsContact NZ-CD 3.31Å; K198-E201 IonicContact NZ-OE1 2.98Å; K198-E201 IonicContact NZ-OE2 3.18Å; K198-E201 PolarHBondContact NZ-OE2 3.27Å; K198-E206 WeakPolarHBondContact CE-OE2 3.26Å; K198-E206 IonicContact NZ-OE1 3.68Å; K198-E206 PolarHBondContact NZ-OE1 3.06Å; K198-E206 IonicContact NZ-OE2 2.79Å; K198-E206 PolarHBondContact NZ-OE2 3.49Å; K198-W208 HydrophobicContact CB-CD2 3.95Å; K198-W208 HydrophobicContact CB-CE3 3.76Å; K198-W208 HydrophobicContact CB-CH2 3.83Å; K198-W208 HydrophobicContact CB-CZ2 4Å; K198-W208 HydrophobicContact CB-CZ3 3.7Å; K198-W208 HydrophobicContact CD-CH2 4.01Å; K198-W208 HydrophobicContact CD-CZ2 3.58Å; K198-W208 HydrophobicContact CG-CD2 4.13Å; K198-W208 HydrophobicContact CG-CE3 4.44Å; K198-W208 HydrophobicContact CG-CH2 4.29Å; K198-W208 HydrophobicContact CG-CZ2 3.95Å
199R88.8Confident88Confident113 Ų11372 Ų7243%0.42635%0.349SS..EExtended strand (participates in β ladder)trans-92.3-35.7-175.7-68.4-66.9-170-170.7-2.4113.1E197 L207 Q209 W271E197-R199 PolarHBondContact O-N 2.92Å; E197-R199 IonicContact OE1-CZ 2.97Å; E197-R199 VanDerWaalsContact OE1-CZ 3.27Å; E197-R199 IonicContact OE1-NE 3.63Å; E197-R199 IonicContact OE1-NH1 3.32Å; E197-R199 PolarHBondContact OE1-NH1 3.27Å; E197-R199 IonicContact OE1-NH2 2.85Å; E197-R199 IonicContact OE2-CZ 3.54Å; E197-R199 IonicContact OE2-NE 2.64Å; E197-R199 IonicContact OE2-NH1 2.91Å; E197-R199 PolarHBondContact OE2-NH1 3.47Å; E197-R199 VanDerWaalsContact OE2-NH1 3.09Å; E197-R199 IonicContact OE2-NH2 3.61Å; E197-R199 PolarHBondContact OE2-NH2 3.36Å; R199-L207 HydrophobicContact CB-CD2 4.28Å; R199-L207 HydrophobicContact CB-CG 4.33Å; R199-L207 PolarHBondContact N-O 3.06Å; R199-Q209 HydrophobicContact CG-CB 4.32Å; R199-W271 HydrophobicContact CG-CH2 3.8Å; R199-W271 HydrophobicContact CG-CZ3 4.09Å
200N86.8Confident88.7Confident88 Ų8869.2 Ų69.247%0.47134%0.335SS..EExtended strand (participates in β ladder)trans-153.2149.5-177.7-160.2-36.1000110.5E206 L207N200-E206 WeakPolarHBondContact O-CA 3.38Å; N200-L207 HydrophobicContact CB-CB 4.04Å; N200-L207 PolarHBondContact N-O 2.89Å; N200-L207 PolarHBondContact O-N 3.46Å
201E90.1Very high89Confident105 Ų10573.1 Ų73.149%0.49135%0.348SS..EExtended strand (participates in β ladder)trans-139.5131.1167.9173.2167.5-159.700109.8K198 E206 K223K198-E201 WeakPolarHBondContact CE-OE2 3.41Å; K198-E201 VanDerWaalsContact NZ-CD 3.31Å; K198-E201 IonicContact NZ-OE1 2.98Å; K198-E201 IonicContact NZ-OE2 3.18Å; K198-E201 PolarHBondContact NZ-OE2 3.27Å; E201-E206 HydrophobicContact CB-CG 4.38Å; E201-E206 HydrophobicContact CG-CG 4.12Å; E201-K223 IonicContact OE1-NZ 2.65Å; E201-K223 PolarHBondContact OE1-NZ 2.83Å
202N82.9Confident89Confident72 Ų7264 Ų6439%0.38531%0.314SS..EExtended strand (participates in β ladder)trans-143-179.4175.56436.6000110.7S204 G205N202-S204 PolarHBondContact O-N 3.16Å; N202-S204 WeakPolarHBondContact OD1-CA 3.44Å; N202-S204 WeakPolarHBondContact OD1-CB 3.48Å; N202-S204 PolarHBondContact OD1-N 3.13Å; N202-S204 PolarHBondContact OD1-OG 3.32Å; N202-G205 PolarHBondContact N-O 2.73Å; N202-G205 PolarHBondContact O-N 3.16Å; N202-G205 VanDerWaalsContact O-N 3.15Å; N202-G205 VanDerWaalsContact O-O 3.05Å; N202-G205 PolarHBondContact OD1-N 2.91Å; N202-G205 VanDerWaalsContact OD1-N 3.1Å; N202-G205 PolarHBondContact OD1-O 2.65Å
203H81.2Confident88.7Confident114 Ų11463.4 Ų63.453%0.52831%0.311SS..THydrogen-bonded Turntrans-60.5-18.5-179.967.571.1000114.1Y351H203-Y351 AromaticContact CE1-CE1 3.29Å; H203-Y351 WeakPolarHBondContact CE1-CE1 2.93Å; H203-Y351 AromaticContact CE1-CE2 3.84Å; H203-Y351 AromaticContact CE1-CZ 3.16Å; H203-Y351 PolarHBondContact CE1-OH 2.88Å; H203-Y351 AromaticContact NE2-CD1 3.72Å; H203-Y351 AromaticContact NE2-CE1 3.23Å; H203-Y351 WeakPolarHBondContact NE2-CE1 3.03Å; H203-Y351 AromaticContact NE2-CZ 3.66Å
204S82.6Confident88.1Confident29 Ų2965.5 Ų65.520%0.20334%0.338CS..THydrogen-bonded Turntrans-95.7-14.1-178.472.40000113.2N202 K223N202-S204 PolarHBondContact O-N 3.16Å; N202-S204 WeakPolarHBondContact OD1-CA 3.44Å; N202-S204 WeakPolarHBondContact OD1-CB 3.48Å; N202-S204 PolarHBondContact OD1-N 3.13Å; N202-S204 PolarHBondContact OD1-OG 3.32Å; S204-K223 PolarHBondContact O-N 3.46Å
205G88.6Confident87.4Confident6 Ų663.9 Ų63.96%0.06232%0.323CS..EExtended strand (participates in β ladder)trans155.6-167.5-177.200000114.6N202 V221N202-G205 PolarHBondContact N-O 2.73Å; N202-G205 PolarHBondContact O-N 3.16Å; N202-G205 VanDerWaalsContact O-N 3.15Å; N202-G205 VanDerWaalsContact O-O 3.05Å; N202-G205 PolarHBondContact OD1-N 2.91Å; N202-G205 VanDerWaalsContact OD1-N 3.1Å; N202-G205 PolarHBondContact OD1-O 2.65Å; G205-V221 CarbonylContact C-O 3.45Å; G205-V221 WeakPolarHBondContact CA-O 3.12Å
206E93.8Very high87.2Confident37 Ų3763.6 Ų63.617%0.17332%0.319CS..EExtended strand (participates in β ladder)trans-124.1142178.3-53.1-179-177.200109.5K198 N200 E201 W208 K220 V221 K223K198-E206 WeakPolarHBondContact CE-OE2 3.26Å; K198-E206 IonicContact NZ-OE1 3.68Å; K198-E206 PolarHBondContact NZ-OE1 3.06Å; K198-E206 IonicContact NZ-OE2 2.79Å; K198-E206 PolarHBondContact NZ-OE2 3.49Å; N200-E206 WeakPolarHBondContact O-CA 3.38Å; E201-E206 HydrophobicContact CB-CG 4.38Å; E201-E206 HydrophobicContact CG-CG 4.12Å; E206-W208 PolarHBondContact OE2-NE1 3.42Å; E206-K220 CarbonylContact O-C 3.59Å; E206-K220 WeakPolarHBondContact O-CA 3.21Å; E206-V221 HydrophobicContact CB-CB 4.32Å; E206-V221 PolarHBondContact N-O 3.4Å; E206-V221 PolarHBondContact O-N 3.32Å; E206-K223 WeakPolarHBondContact OE1-CE 3.19Å; E206-K223 IonicContact OE1-NZ 2.76Å; E206-K223 PolarHBondContact OE1-NZ 3.19Å
207L93.8Very high87.3Confident49 Ų4959.6 Ų59.626%0.25730%0.295SS..EExtended strand (participates in β ladder)trans-110.8122.4172.4178.868000108.7R199 N200 A218 K220R199-L207 HydrophobicContact CB-CD2 4.28Å; R199-L207 HydrophobicContact CB-CG 4.33Å; R199-L207 PolarHBondContact N-O 3.06Å; N200-L207 HydrophobicContact CB-CB 4.04Å; N200-L207 PolarHBondContact N-O 2.89Å; N200-L207 PolarHBondContact O-N 3.46Å; L207-A218 HydrophobicContact CD1-CB 4.29Å; L207-K220 HydrophobicContact CD1-CD 4.45Å; L207-K220 HydrophobicContact CD1-CG 3.55Å
208W94.8Very high87.4Confident59 Ų5955.8 Ų55.822%0.22328%0.279CS..EExtended strand (participates in β ladder)trans-117.9140.8178.5-67.480.8000109.8L195 E197 K198 E206 V219L195-W208 HydrophobicContact CB-CE3 4.03Å; L195-W208 HydrophobicContact CD1-CD2 4.22Å; L195-W208 HydrophobicContact CD1-CE3 4.41Å; L195-W208 HydrophobicContact CD1-CG 4.36Å; L195-W208 HydrophobicContact CD2-CB 4.07Å; E197-W208 CarbonylContact O-C 3.43Å; E197-W208 WeakPolarHBondContact O-CA 3.27Å; K198-W208 HydrophobicContact CB-CD2 3.95Å; K198-W208 HydrophobicContact CB-CE3 3.76Å; K198-W208 HydrophobicContact CB-CH2 3.83Å; K198-W208 HydrophobicContact CB-CZ2 4Å; K198-W208 HydrophobicContact CB-CZ3 3.7Å; K198-W208 HydrophobicContact CD-CH2 4.01Å; K198-W208 HydrophobicContact CD-CZ2 3.58Å; K198-W208 HydrophobicContact CG-CD2 4.13Å; K198-W208 HydrophobicContact CG-CE3 4.44Å; K198-W208 HydrophobicContact CG-CH2 4.29Å; K198-W208 HydrophobicContact CG-CZ2 3.95Å; E206-W208 PolarHBondContact OE2-NE1 3.42Å; W208-V219 HydrophobicContact CB-CB 4.19Å; W208-V219 PolarHBondContact N-O 3.08Å; W208-V219 PolarHBondContact O-N 2.92Å
209Q94.1Very high87.5Confident20 Ų2052.5 Ų52.59%0.09326%0.264CS..EExtended strand (participates in β ladder)trans-83.8143.9159.1-172.2174.10.600108.1T196 E197 R199 W271T196-Q209 PolarHBondContact N-O 2.71Å; T196-Q209 PolarHBondContact OG1-O 2.78Å; E197-Q209 PolarHBondContact N-O 3.03Å; E197-Q209 PolarHBondContact O-N 3.26Å; R199-Q209 HydrophobicContact CG-CB 4.32Å; Q209-W271 HydrophobicContact CB-CE3 3.99Å; Q209-W271 HydrophobicContact CB-CH2 4.22Å; Q209-W271 HydrophobicContact CB-CZ3 3.83Å; Q209-W271 HydrophobicContact CG-CD2 3.81Å; Q209-W271 HydrophobicContact CG-CE3 3.74Å; Q209-W271 HydrophobicContact CG-CG 4.38Å; Q209-W271 HydrophobicContact CG-CH2 4.33Å; Q209-W271 HydrophobicContact CG-CZ2 4.35Å; Q209-W271 HydrophobicContact CG-CZ3 4.02Å
210G91.8Very high87.7Confident1 Ų148.7 Ų48.71%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-160.3-173177.700000113S194 E216 I217S194-G210 CarbonylContact O-C 3.5Å; S194-G210 WeakPolarHBondContact O-CA 3.46Å; G210-E216 WeakPolarHBondContact O-CA 3.48Å; G210-I217 PolarHBondContact N-O 2.68Å; G210-I217 WeakPolarHBondContact O-CG1 3.31Å; G210-I217 PolarHBondContact O-N 3.39Å
211R88.3Confident88.1Confident124 Ų12445.3 Ų45.347%0.46823%0.233SC..EExtended strand (participates in β ladder)trans-128.5141.6175.6-67.2-174.3173-151.6-6.5111S194 N215 E216S194-R211 PolarHBondContact N-O 3.29Å; S194-R211 PolarHBondContact O-N 2.95Å; R211-N215 CarbonylContact C-O 3.38Å; R211-N215 VanDerWaalsContact CA-O 3.24Å; R211-N215 WeakPolarHBondContact CA-O 3.37Å; R211-E216 IonicContact CZ-OE1 2.95Å; R211-E216 IonicContact NE-OE1 2.61Å; R211-E216 IonicContact NH2-OE1 2.91Å; R211-E216 PolarHBondContact NH2-OE1 2.73Å
212W83.6Confident88.2Confident3 Ų341.1 Ų41.11%0.01121%0.214CC..EExtended strand (participates in β ladder)trans-142.7126.5171.2178.862.9000109.7L182 L185 I188 L193 G214 N215 I217L182-W212 HydrophobicContact CB-CZ3 4.31Å; L182-W212 HydrophobicContact CD2-CD2 4.45Å; L182-W212 HydrophobicContact CD2-CE3 3.4Å; L182-W212 HydrophobicContact CD2-CH2 3.9Å; L182-W212 HydrophobicContact CD2-CZ3 3.08Å; L182-W212 HydrophobicContact CG-CZ3 4.26Å; L185-W212 HydrophobicContact CD1-CH2 4.04Å; L185-W212 HydrophobicContact CD1-CZ2 3.85Å; I188-W212 HydrophobicContact CB-CZ2 4.4Å; I188-W212 HydrophobicContact CD1-CD2 4.37Å; I188-W212 HydrophobicContact CD1-CE3 4Å; I188-W212 HydrophobicContact CD1-CH2 3.63Å; I188-W212 HydrophobicContact CD1-CZ2 4.02Å; I188-W212 HydrophobicContact CD1-CZ3 3.57Å; I188-W212 HydrophobicContact CG1-CH2 3.69Å; I188-W212 HydrophobicContact CG1-CZ2 3.72Å; I188-W212 HydrophobicContact CG1-CZ3 4.17Å; I188-W212 HydrophobicContact CG2-CD2 4.26Å; I188-W212 HydrophobicContact CG2-CZ2 4.01Å; L193-W212 HydrophobicContact CD2-CB 3.97Å; L193-W212 HydrophobicContact CD2-CG 3.97Å; W212-G214 PolarHBondContact O-N 3.29Å; W212-G214 VanDerWaalsContact O-N 3.15Å; W212-N215 PolarHBondContact N-O 3.45Å; W212-N215 PolarHBondContact O-N 2.86Å; W212-I217 HydrophobicContact CB-CD1 3.52Å; W212-I217 HydrophobicContact CB-CG1 4.29Å; W212-I217 HydrophobicContact CB-CG2 4.43Å
213Q78.7Confident88.5Confident88 Ų8841.2 Ų41.241%0.41121%0.211SC..THydrogen-bonded Turntrans49.838-175.3-59.9-178.4-4.600113.4N215Q213-N215 VanDerWaalsContact C-N 3.29Å; Q213-N215 PolarHBondContact O-N 2.72Å; Q213-N215 PolarHBondContact O-ND2 3.09Å
214G74.4Confident88.9Confident65 Ų6537.1 Ų37.167%0.6719%0.193SC*.THydrogen-bonded Turntrans80.3-3-179.300000115.9W212W212-G214 PolarHBondContact O-N 3.29Å; W212-G214 VanDerWaalsContact O-N 3.15Å
215N77Confident88.9Confident42 Ų4245.6 Ų45.623%0.22522%0.221CC..EExtended strand (participates in β ladder)trans-98.3144.5178.5-57-70.9000111.3R211 W212 Q213R211-N215 CarbonylContact C-O 3.38Å; R211-N215 VanDerWaalsContact CA-O 3.24Å; R211-N215 WeakPolarHBondContact CA-O 3.37Å; W212-N215 PolarHBondContact N-O 3.45Å; W212-N215 PolarHBondContact O-N 2.86Å; Q213-N215 VanDerWaalsContact C-N 3.29Å; Q213-N215 PolarHBondContact O-N 2.72Å; Q213-N215 PolarHBondContact O-ND2 3.09Å
216E86.4Confident88.7Confident77 Ų7750.3 Ų50.336%0.3624%0.244SC..EExtended strand (participates in β ladder)trans-77.3130173.9-57.7-154.613900110.7G210 R211 W271G210-E216 WeakPolarHBondContact O-CA 3.48Å; R211-E216 IonicContact CZ-OE1 2.95Å; R211-E216 IonicContact NE-OE1 2.61Å; R211-E216 IonicContact NH2-OE1 2.91Å; R211-E216 PolarHBondContact NH2-OE1 2.73Å; E216-W271 HydrophobicContact CB-CB 3.84Å; E216-W271 HydrophobicContact CB-CG 4.38Å; E216-W271 PolarHBondContact O-N 2.98Å
217I91.6Very high88.6Confident0 Ų051.8 Ų51.80%025%0.248CC..EExtended strand (participates in β ladder)trans-131.1150.7-174.756.5164.8000110.9L193 G210 W212 V219 L254 I268 T269L193-I217 HydrophobicContact CD2-CD1 3.73Å; G210-I217 PolarHBondContact N-O 2.68Å; G210-I217 WeakPolarHBondContact O-CG1 3.31Å; G210-I217 PolarHBondContact O-N 3.39Å; W212-I217 HydrophobicContact CB-CD1 3.52Å; W212-I217 HydrophobicContact CB-CG1 4.29Å; W212-I217 HydrophobicContact CB-CG2 4.43Å; I217-V219 HydrophobicContact CD1-CG2 3.56Å; I217-V219 HydrophobicContact CG1-CG2 4Å; I217-L254 HydrophobicContact CG2-CD1 3.9Å; I217-I268 HydrophobicContact CB-CG2 4.04Å; I217-I268 HydrophobicContact CD1-CG2 3.77Å; I217-I268 HydrophobicContact CG2-CG2 4.13Å; I217-T269 CarbonylContact C-O 3.33Å; I217-T269 VanDerWaalsContact CA-O 3.29Å; I217-T269 WeakPolarHBondContact CA-O 3.42Å; I217-T269 WeakPolarHBondContact CB-O 3.46Å
218A93.7Very high88.4Confident9 Ų952.1 Ų52.17%0.07425%0.252CS..EExtended strand (participates in β ladder)trans-97.2123.6164.600000108.8L207 T269 W271L207-A218 HydrophobicContact CD1-CB 4.29Å; A218-T269 PolarHBondContact N-O 3.46Å; A218-T269 PolarHBondContact O-N 2.84Å; A218-T269 PolarHBondContact O-OG1 3.01Å; A218-W271 HydrophobicContact CB-CE3 4Å
219V94.3Very high88Confident1 Ų154.5 Ų54.51%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-111113.2-178.5-178.40000108.7L193 L195 W208 I217 V221 I266L193-V219 HydrophobicContact CD1-CG1 4.34Å; L195-V219 HydrophobicContact CD2-CB 3.91Å; L195-V219 HydrophobicContact CD2-CG1 3.94Å; L195-V219 HydrophobicContact CD2-CG2 3.81Å; W208-V219 HydrophobicContact CB-CB 4.19Å; W208-V219 PolarHBondContact N-O 3.08Å; W208-V219 PolarHBondContact O-N 2.92Å; I217-V219 HydrophobicContact CD1-CG2 3.56Å; I217-V219 HydrophobicContact CG1-CG2 4Å; V219-V221 HydrophobicContact CG1-CG2 4.33Å; V219-I266 HydrophobicContact CG1-CG2 3.34Å
220K93.9Very high87.7Confident33 Ų3362.5 Ų62.514%0.14331%0.305CS..EExtended strand (participates in β ladder)trans-99.6110175-71.4-178.5-174.1176.20109.2E206 L207 I266 I267 A338 D339E206-K220 CarbonylContact O-C 3.59Å; E206-K220 WeakPolarHBondContact O-CA 3.21Å; L207-K220 HydrophobicContact CD1-CD 4.45Å; L207-K220 HydrophobicContact CD1-CG 3.55Å; K220-I266 WeakPolarHBondContact O-CA 3.25Å; K220-I267 HydrophobicContact CB-CB 4.2Å; K220-I267 PolarHBondContact N-O 3.33Å; K220-I267 PolarHBondContact O-N 3.11Å; K220-A338 HydrophobicContact CD-CB 4.21Å; K220-A338 PolarHBondContact NZ-O 3.21Å; K220-D339 IonicContact NZ-OD1 3.79Å; K220-D339 PolarHBondContact NZ-OD1 2.62Å; K220-D339 IonicContact NZ-OD2 2.88Å; K220-D339 PolarHBondContact NZ-OD2 3.44Å
221V93.9Very high87.6Confident17 Ų1764.5 Ų64.510%0.10331%0.313CS..EExtended strand (participates in β ladder)trans-90114.9173.8-174.80000107.9G205 E206 V219 H264 I266G205-V221 CarbonylContact C-O 3.45Å; G205-V221 WeakPolarHBondContact CA-O 3.12Å; E206-V221 HydrophobicContact CB-CB 4.32Å; E206-V221 PolarHBondContact N-O 3.4Å; E206-V221 PolarHBondContact O-N 3.32Å; V219-V221 HydrophobicContact CG1-CG2 4.33Å; V221-H264 HydrophobicContact CG1-CB 3.72Å; V221-I266 HydrophobicContact CG2-CG1 4.36Å
222L92.9Very high87.5Confident17 Ų1759.3 Ų59.39%0.08930%0.296CS..EExtended strand (participates in β ladder)trans-87126.3-174.4-58.4171000111.2I224 F235 P265 I267L222-I224 HydrophobicContact CB-CD1 4.21Å; L222-I224 HydrophobicContact CB-CG1 4.16Å; L222-I224 PolarHBondContact O-N 3.22Å; L222-F235 HydrophobicContact CD1-CE2 4.04Å; L222-P265 HydrophobicContact CB-CG 4.1Å; L222-P265 WeakPolarHBondContact CB-O 3.24Å; L222-P265 HydrophobicContact CD1-CB 4.38Å; L222-P265 HydrophobicContact CD1-CG 4.32Å; L222-P265 PolarHBondContact N-O 2.98Å; L222-I267 HydrophobicContact CD1-CD1 3.8Å; L222-I267 HydrophobicContact CD1-CG1 4.19Å; L222-I267 HydrophobicContact CD2-CD1 4.16Å; L222-I267 HydrophobicContact CG-CD1 4.23Å
223K89.9Confident87.5Confident74 Ų7467.8 Ų67.832%0.32233%0.328SS..  trans-91.799.1172.4-75.3178.5-179-178.20109.3E201 S204 E206E201-K223 IonicContact OE1-NZ 2.65Å; E201-K223 PolarHBondContact OE1-NZ 2.83Å; S204-K223 PolarHBondContact O-N 3.46Å; E206-K223 WeakPolarHBondContact OE1-CE 3.19Å; E206-K223 IonicContact OE1-NZ 2.76Å; E206-K223 PolarHBondContact OE1-NZ 3.19Å
224I88.5Confident87.9Confident29 Ų2965.3 Ų65.315%0.14932%0.318CS..  trans-108.7120.8179.8-51.8-59.3000109.5L222 W227 K231 P265 F344 Q345L222-I224 HydrophobicContact CB-CD1 4.21Å; L222-I224 HydrophobicContact CB-CG1 4.16Å; L222-I224 PolarHBondContact O-N 3.22Å; I224-W227 HydrophobicContact CB-CE3 4.02Å; I224-W227 HydrophobicContact CG1-CE3 4.29Å; I224-W227 HydrophobicContact CG1-CZ3 4.33Å; I224-W227 HydrophobicContact CG2-CE3 4.06Å; I224-K231 HydrophobicContact CG2-CD 4.04Å; I224-P265 HydrophobicContact CG1-CG 4.27Å; I224-F344 HydrophobicContact CD1-CD2 4.12Å; I224-F344 HydrophobicContact CD1-CE2 3.98Å; I224-F344 HydrophobicContact CG1-CD2 4.26Å; I224-F344 HydrophobicContact CG1-CE2 3.98Å; I224-F344 HydrophobicContact CG2-CD2 3.94Å; I224-F344 HydrophobicContact CG2-CE2 4.44Å; I224-Q345 HydrophobicContact CD1-CG 3.65Å
225R83.8Confident88.5Confident207 Ų20762.2 Ų62.278%0.78129%0.286SS*.SBendtrans-64.4138.2172.2-169.8-172.1161.1159.32.2109.8K231R225-K231 PolarHBondContact O-NZ 3.16Å
226D84.6Confident88.8Confident105 Ų10563.2 Ų63.256%0.56129%0.291SS*.SBendtrans54.761.2176.5-49.9-40.3000112.1T228 K231D226-T228 WeakPolarHBondContact O-CG2 3.33Å; D226-T228 PolarHBondContact O-N 3.45Å; D226-K231 WeakPolarHBondContact O-CD 3.49Å; D226-K231 PolarHBondContact O-NZ 2.91Å
227W89.8Confident88.5Confident67 Ų6764.4 Ų64.425%0.25430%0.297SS..  trans-65.7111.8178.1-175.5-110000110.6I224 K231 S232 F235 S259 P265 F344I224-W227 HydrophobicContact CB-CE3 4.02Å; I224-W227 HydrophobicContact CG1-CE3 4.29Å; I224-W227 HydrophobicContact CG1-CZ3 4.33Å; I224-W227 HydrophobicContact CG2-CE3 4.06Å; W227-K231 HydrophobicContact CE3-CB 3.93Å; W227-K231 HydrophobicContact CE3-CD 4.48Å; W227-K231 HydrophobicContact CH2-CB 4.43Å; W227-K231 HydrophobicContact CZ3-CB 3.81Å; W227-S232 VanDerWaalsContact CZ2-CA 3.46Å; W227-F235 HydrophobicContact CH2-CB 3.98Å; W227-F235 HydrophobicContact CH2-CG 4.33Å; W227-S259 PolarHBondContact NE1-O 3.27Å; W227-P265 HydrophobicContact CD2-CG 4.45Å; W227-P265 HydrophobicContact CE3-CG 4.02Å; W227-P265 HydrophobicContact CH2-CB 3.74Å; W227-P265 HydrophobicContact CH2-CG 3.56Å; W227-P265 HydrophobicContact CZ2-CB 4.07Å; W227-P265 HydrophobicContact CZ2-CG 3.99Å; W227-P265 HydrophobicContact CZ3-CB 4.27Å; W227-P265 HydrophobicContact CZ3-CG 3.58Å; W227-F344 HydrophobicContact CH2-CZ 4.39Å; W227-F344 HydrophobicContact CZ3-CD2 4.45Å; W227-F344 AromaticContact CZ3-CE2 3.88Å; W227-F344 HydrophobicContact CZ3-CE2 3.88Å; W227-F344 HydrophobicContact CZ3-CZ 4.01Å
228T89.6Confident88.2Confident56 Ų5665.9 Ų65.934%0.34430%0.304SS..  trans-112.1159.3-177.563.40000111.6D226 R230 K231 S232D226-T228 WeakPolarHBondContact O-CG2 3.33Å; D226-T228 PolarHBondContact O-N 3.45Å; T228-R230 PolarHBondContact O-N 2.79Å; T228-R230 VanDerWaalsContact O-N 3.14Å; T228-K231 PolarHBondContact O-N 3.43Å; T228-K231 PolarHBondContact OG1-N 3.27Å; T228-S232 PolarHBondContact O-N 3.43Å
229P86.8Confident87.8Confident110 Ų11066.6 Ų66.671%0.71431%0.305SS*.Hα-helixtrans-55-31.3172.7-27.635.8000113.6S232 R233P229-S232 PolarHBondContact O-N 2.69Å; P229-R233 PolarHBondContact O-N 2.76Å
230R87.6Confident87.1Confident188 Ų18869 Ų6971%0.70932%0.32SS*.Hα-helixtrans-63.5-50.8173.7-176.5176.6178.8172.12.1111.5T228 S232 R233 D234T228-R230 PolarHBondContact O-N 2.79Å; T228-R230 VanDerWaalsContact O-N 3.14Å; R230-S232 VanDerWaalsContact C-N 3.25Å; R230-S232 PolarHBondContact O-N 2.73Å; R230-R233 WeakPolarHBondContact O-CB 3.42Å; R230-R233 PolarHBondContact O-N 2.92Å; R230-R233 VanDerWaalsContact O-N 3.09Å; R230-D234 PolarHBondContact O-N 2.82Å
231K90.2Very high86.5Confident42 Ų4272.1 Ų72.118%0.18333%0.334CS..Hα-helixtrans-60.8-35.3176.8-67.4177.6177.5164.70112.3I224 R225 D226 W227 T228 D234 F235 F344I224-K231 HydrophobicContact CG2-CD 4.04Å; R225-K231 PolarHBondContact O-NZ 3.16Å; D226-K231 WeakPolarHBondContact O-CD 3.49Å; D226-K231 PolarHBondContact O-NZ 2.91Å; W227-K231 HydrophobicContact CE3-CB 3.93Å; W227-K231 HydrophobicContact CE3-CD 4.48Å; W227-K231 HydrophobicContact CH2-CB 4.43Å; W227-K231 HydrophobicContact CZ3-CB 3.81Å; T228-K231 PolarHBondContact O-N 3.43Å; T228-K231 PolarHBondContact OG1-N 3.27Å; K231-D234 PolarHBondContact O-N 3.38Å; K231-F235 VanDerWaalsContact O-CB 3.31Å; K231-F235 WeakPolarHBondContact O-CB 3.4Å; K231-F235 PolarHBondContact O-N 3.34Å; K231-F344 HydrophobicContact CB-CB 4.4Å; K231-F344 HydrophobicContact CB-CD1 4.07Å; K231-F344 HydrophobicContact CB-CG 4.06Å; K231-F344 HydrophobicContact CD-CB 3.91Å; K231-F344 HydrophobicContact CD-CD2 4.48Å; K231-F344 HydrophobicContact CD-CG 4.23Å; K231-F344 HydrophobicContact CG-CB 3.7Å; K231-F344 HydrophobicContact CG-CD1 4.25Å; K231-F344 HydrophobicContact CG-CG 3.91Å; K231-F344 WeakPolarHBondContact O-CE1 3.38Å
232S87.1Confident86.1Confident16 Ų1671.8 Ų71.811%0.11233%0.331CS..Hα-helixtrans-64.8-42174.4-1700000112W227 T228 P229 R230 F235 N236 S259W227-S232 VanDerWaalsContact CZ2-CA 3.46Å; T228-S232 PolarHBondContact O-N 3.43Å; P229-S232 PolarHBondContact O-N 2.69Å; R230-S232 VanDerWaalsContact C-N 3.25Å; R230-S232 PolarHBondContact O-N 2.73Å; S232-F235 PolarHBondContact O-N 3.15Å; S232-N236 PolarHBondContact O-N 3.47Å; S232-N236 PolarHBondContact O-ND2 3.45Å; S232-S259 PolarHBondContact OG-O 2.99Å
233R82.9Confident85.6Confident181 Ų18173 Ų7368%0.68334%0.335SS*.Hα-helixtrans-63.1-49.2172.9-169.7-173.9-55.7175.91.6111.8P229 R230 F235 N236 E237P229-R233 PolarHBondContact O-N 2.76Å; R230-R233 WeakPolarHBondContact O-CB 3.42Å; R230-R233 PolarHBondContact O-N 2.92Å; R230-R233 VanDerWaalsContact O-N 3.09Å; R233-F235 VanDerWaalsContact C-N 3.27Å; R233-F235 PolarHBondContact O-N 3.44Å; R233-N236 PolarHBondContact O-N 3.15Å; R233-N236 VanDerWaalsContact O-N 3.13Å; R233-E237 PolarHBondContact O-N 3.41Å
234D86.1Confident84.7Confident36 Ų3670.3 Ų70.319%0.19332%0.324CS..Hα-helixtrans-58.8-40.9178.6-59.6-18.9000110.6R230 K231 E237 E238 F344R230-D234 PolarHBondContact O-N 2.82Å; K231-D234 PolarHBondContact O-N 3.38Å; D234-E237 PolarHBondContact O-N 2.89Å; D234-E238 WeakPolarHBondContact O-CB 3.18Å; D234-E238 WeakPolarHBondContact O-CG 3.28Å; D234-E238 PolarHBondContact O-N 3.41Å; D234-F344 HydrophobicContact CB-CD1 4.04Å; D234-F344 HydrophobicContact CB-CE1 4.17Å
235F88.6Confident83.7Confident0 Ų070.8 Ų70.80%033%0.325CS..Hα-helixtrans-60.1-48.7174.8-179.8-107.1000111.9L222 W227 K231 S232 R233 E237 E238 Y239 A256 P258 P265 I267 F342 F344L222-F235 HydrophobicContact CD1-CE2 4.04Å; W227-F235 HydrophobicContact CH2-CB 3.98Å; W227-F235 HydrophobicContact CH2-CG 4.33Å; K231-F235 VanDerWaalsContact O-CB 3.31Å; K231-F235 WeakPolarHBondContact O-CB 3.4Å; K231-F235 PolarHBondContact O-N 3.34Å; S232-F235 PolarHBondContact O-N 3.15Å; R233-F235 VanDerWaalsContact C-N 3.27Å; R233-F235 PolarHBondContact O-N 3.44Å; F235-E237 PolarHBondContact O-N 2.92Å; F235-E238 PolarHBondContact O-N 3.19Å; F235-Y239 HydrophobicContact CD1-CD1 4.46Å; F235-Y239 HydrophobicContact CE1-CD1 4.41Å; F235-Y239 WeakPolarHBondContact O-CB 3.35Å; F235-Y239 VanDerWaalsContact O-CD1 3.3Å; F235-Y239 WeakPolarHBondContact O-CD1 3.45Å; F235-Y239 PolarHBondContact O-N 2.96Å; F235-A256 HydrophobicContact CE1-CB 3.79Å; F235-A256 HydrophobicContact CZ-CB 3.64Å; F235-P258 HydrophobicContact CD1-CB 4.44Å; F235-P265 HydrophobicContact CD1-CB 4.3Å; F235-P265 HydrophobicContact CD2-CB 4.44Å; F235-P265 HydrophobicContact CE1-CB 4.05Å; F235-P265 HydrophobicContact CE2-CB 4.2Å; F235-P265 HydrophobicContact CG-CB 4.47Å; F235-P265 HydrophobicContact CZ-CB 3.97Å; F235-I267 HydrophobicContact CE2-CG1 4.15Å; F235-I267 HydrophobicContact CZ-CG1 4.26Å; F235-F342 AromaticContact CD2-CD1 3.72Å; F235-F342 HydrophobicContact CD2-CD1 3.72Å; F235-F342 AromaticContact CD2-CE1 3.45Å; F235-F342 HydrophobicContact CD2-CE1 3.45Å; F235-F342 VanDerWaalsContact CD2-CE1 3.45Å; F235-F342 HydrophobicContact CD2-CE2 4.35Å; F235-F342 HydrophobicContact CD2-CG 4.27Å; F235-F342 AromaticContact CD2-CZ 3.8Å; F235-F342 HydrophobicContact CD2-CZ 3.8Å; F235-F342 HydrophobicContact CE2-CD1 4.38Å; F235-F342 AromaticContact CE2-CE1 3.77Å; F235-F342 HydrophobicContact CE2-CE1 3.77Å; F235-F342 HydrophobicContact CE2-CE2 4.1Å; F235-F342 AromaticContact CE2-CZ 3.61Å; F235-F342 HydrophobicContact CE2-CZ 3.61Å; F235-F342 HydrophobicContact CG-CE1 4.4Å; F235-F344 HydrophobicContact CB-CE1 3.89Å; F235-F344 HydrophobicContact CB-CZ 3.83Å; F235-F344 AromaticContact CD2-CZ 3.97Å; F235-F344 HydrophobicContact CD2-CZ 3.97Å; F235-F344 HydrophobicContact CG-CZ 4.35Å
236N82.8Confident82.5Confident63 Ų6362.8 Ų62.834%0.33730%0.301SS..Hα-helixtrans-63.7-28.2179-74.5-32.9000113.3S232 R233 P240 P258S232-N236 PolarHBondContact O-N 3.47Å; S232-N236 PolarHBondContact O-ND2 3.45Å; R233-N236 PolarHBondContact O-N 3.15Å; R233-N236 VanDerWaalsContact O-N 3.13Å; N236-P240 WeakPolarHBondContact O-CD 3.43Å; N236-P240 VanDerWaalsContact O-CG 3.31Å; N236-P240 WeakPolarHBondContact O-CG 3.23Å; N236-P258 WeakPolarHBondContact OD1-CB 3.37Å
237E79.9Confident81.8Confident102 Ų10259.6 Ų59.648%0.47728%0.282SS..Hα-helixtrans-82.3-37176-160-154.1127.600112.7R233 D234 F235 K241R233-E237 PolarHBondContact O-N 3.41Å; D234-E237 PolarHBondContact O-N 2.89Å; F235-E237 PolarHBondContact O-N 2.92Å; E237-K241 VanDerWaalsContact O-CE 3.27Å; E237-K241 WeakPolarHBondContact O-CE 3.44Å; E237-K241 IonicContact OE1-NZ 2.65Å; E237-K241 PolarHBondContact OE1-NZ 2.93Å
238E84.9Confident81.1Confident30 Ų3060.3 Ų60.314%0.1430%0.296CS..Hα-helixtrans-82.7-40.3-175.2-75.3-178.4-107.400113D234 F235 P240 K241 R317 F342 S343D234-E238 WeakPolarHBondContact O-CB 3.18Å; D234-E238 WeakPolarHBondContact O-CG 3.28Å; D234-E238 PolarHBondContact O-N 3.41Å; F235-E238 PolarHBondContact O-N 3.19Å; E238-P240 VanDerWaalsContact C-CD 3.45Å; E238-K241 WeakPolarHBondContact O-CB 3.41Å; E238-K241 PolarHBondContact O-N 3.44Å; E238-R317 IonicContact OE2-NH2 3.64Å; E238-R317 PolarHBondContact OE2-NH2 2.96Å; E238-F342 HydrophobicContact CB-CD1 3.62Å; E238-F342 HydrophobicContact CB-CE1 3.83Å; E238-F342 WeakPolarHBondContact OE2-CA 3.34Å; E238-S343 WeakPolarHBondContact OE1-CB 3.12Å; E238-S343 PolarHBondContact OE1-N 3.39Å; E238-S343 PolarHBondContact OE1-OG 3.18Å; E238-S343 PolarHBondContact OE2-N 2.98Å
239Y85Confident81Confident25 Ų2558.3 Ų58.310%0.09828%0.283CS..G310 helixtrans-64-35.6-172.393.8-98.6000114.6F235 K241 L242 M253 A256F235-Y239 HydrophobicContact CD1-CD1 4.46Å; F235-Y239 HydrophobicContact CE1-CD1 4.41Å; F235-Y239 WeakPolarHBondContact O-CB 3.35Å; F235-Y239 VanDerWaalsContact O-CD1 3.3Å; F235-Y239 WeakPolarHBondContact O-CD1 3.45Å; F235-Y239 PolarHBondContact O-N 2.96Å; Y239-K241 PolarHBondContact O-N 3.11Å; Y239-L242 WeakPolarHBondContact O-CB 3.32Å; Y239-L242 PolarHBondContact O-N 3.19Å; Y239-M253 HydrophobicContact CD2-CE 4.22Å; Y239-M253 HydrophobicContact CG-CE 4.43Å; Y239-A256 HydrophobicContact CD1-CB 4.02Å; Y239-A256 HydrophobicContact CD2-CB 3.58Å; Y239-A256 HydrophobicContact CE1-CB 4.34Å; Y239-A256 HydrophobicContact CE2-CB 3.89Å; Y239-A256 HydrophobicContact CG-CB 3.68Å
240P80.6Confident81Confident52 Ų5253.1 Ų53.134%0.33825%0.249SC..G310 helixtrans-61.9-32179.5-24.336.7000112N236 E238 L242 R243N236-P240 WeakPolarHBondContact O-CD 3.43Å; N236-P240 VanDerWaalsContact O-CG 3.31Å; N236-P240 WeakPolarHBondContact O-CG 3.23Å; E238-P240 VanDerWaalsContact C-CD 3.45Å; P240-L242 PolarHBondContact O-N 3.3Å; P240-L242 VanDerWaalsContact O-N 3.14Å; P240-R243 WeakPolarHBondContact O-CB 3.14Å; P240-R243 PolarHBondContact O-N 3.3Å; P240-R243 VanDerWaalsContact O-N 3.09Å
241K80.2Confident81Confident98 Ų9844.3 Ų44.343%0.42622%0.216SC..G310 helixtrans-64.2-17.6177.3-55.7172.3-173.7165.20112.4E237 E238 Y239 I244E237-K241 VanDerWaalsContact O-CE 3.27Å; E237-K241 WeakPolarHBondContact O-CE 3.44Å; E237-K241 IonicContact OE1-NZ 2.65Å; E237-K241 PolarHBondContact OE1-NZ 2.93Å; E238-K241 WeakPolarHBondContact O-CB 3.41Å; E238-K241 PolarHBondContact O-N 3.44Å; Y239-K241 PolarHBondContact O-N 3.11Å; K241-I244 WeakPolarHBondContact O-CD1 3.13Å; K241-I244 WeakPolarHBondContact O-CG1 3.43Å
242L85.6Confident80.8Confident10 Ų1042.9 Ų42.95%0.05221%0.211CC..G310 helixtrans-96.4-0.7180-57.9178.9000113.1Y239 P240 I244 M253 I315 M337 V340 F342Y239-L242 WeakPolarHBondContact O-CB 3.32Å; Y239-L242 PolarHBondContact O-N 3.19Å; P240-L242 PolarHBondContact O-N 3.3Å; P240-L242 VanDerWaalsContact O-N 3.14Å; L242-I244 PolarHBondContact O-N 3.07Å; L242-M253 HydrophobicContact CB-CB 4.47Å; L242-M253 HydrophobicContact CB-CG 4.1Å; L242-M253 HydrophobicContact CB-SD 3.58Å; L242-M253 VanDerWaalsContact CB-SD 3.58Å; L242-M253 HydrophobicContact CD1-SD 3.65Å; L242-M253 HydrophobicContact CG-SD 4.26Å; L242-M253 PolarHBondContact O-N 2.91Å; L242-I315 HydrophobicContact CD2-CG2 3.89Å; L242-M337 HydrophobicContact CB-CB 4.13Å; L242-M337 VanDerWaalsContact O-CB 3.31Å; L242-M337 WeakPolarHBondContact O-CB 3.47Å; L242-V340 HydrophobicContact CD1-CB 4.11Å; L242-V340 HydrophobicContact CD1-CG1 4.31Å; L242-V340 HydrophobicContact CD2-CB 4Å; L242-V340 HydrophobicContact CD2-CG1 3.93Å; L242-V340 HydrophobicContact CD2-CG2 4.07Å; L242-F342 HydrophobicContact CD1-CE1 4.42Å; L242-F342 HydrophobicContact CD1-CE2 4.27Å; L242-F342 HydrophobicContact CD1-CZ 3.9Å
243R82.6Confident80.8Confident42 Ų4242.1 Ų42.116%0.15821%0.205CC..  trans-84.357.8176.9-61-174.571.1-140.61.6111.2N183 P240 F245 M253 L254N183-R243 PolarHBondContact O-NH2 2.95Å; P240-R243 WeakPolarHBondContact O-CB 3.14Å; P240-R243 PolarHBondContact O-N 3.3Å; P240-R243 VanDerWaalsContact O-N 3.09Å; R243-F245 HydrophobicContact CB-CD2 4.43Å; R243-F245 HydrophobicContact CB-CE2 3.75Å; R243-F245 HydrophobicContact CB-CZ 4.46Å; R243-F245 WeakPolarHBondContact O-CD2 3.34Å; R243-F245 WeakPolarHBondContact O-CE2 3.22Å; R243-F245 PolarHBondContact O-N 3.43Å; R243-M253 HydrophobicContact CG-CB 4.28Å; R243-M253 WeakPolarHBondContact CG-O 3.31Å; R243-L254 PolarHBondContact NE-O 3.45Å; R243-L254 VanDerWaalsContact NE-O 3.13Å; R243-L254 PolarHBondContact NH2-O 3.45Å
244I72.3Confident80.7Confident17 Ų1733.5 Ų33.59%0.08717%0.173CC..  trans-94.894.1-170.9-58.8170.7000110.8K241 L242 V250 P252 F307 L308 L311 I315 M337K241-I244 WeakPolarHBondContact O-CD1 3.13Å; K241-I244 WeakPolarHBondContact O-CG1 3.43Å; L242-I244 PolarHBondContact O-N 3.07Å; I244-V250 HydrophobicContact CB-CG1 4.15Å; I244-V250 HydrophobicContact CG2-CG1 4.16Å; I244-P252 WeakPolarHBondContact O-CB 3.27Å; I244-F307 HydrophobicContact CG2-CE1 3.61Å; I244-F307 HydrophobicContact CG2-CZ 4.21Å; I244-L308 HydrophobicContact CD1-CD2 4.11Å; I244-L311 HydrophobicContact CD1-CD1 3.76Å; I244-I315 HydrophobicContact CD1-CD1 3.46Å; I244-I315 VanDerWaalsContact CD1-CD1 3.46Å; I244-I315 HydrophobicContact CD1-CG1 4.36Å; I244-M337 HydrophobicContact CD1-SD 4.01Å
245F66.8Low80.6Confident40 Ų4032 Ų3218%0.17517%0.166CC..  trans-98.73.2-177-58.4-91.4000113.8R59 N183 R243 H247 P252 M253 L254R59-F245 VanDerWaalsContact NH2-CG 3.33Å; N183-F245 WeakPolarHBondContact OD1-CD1 3.48Å; N183-F245 WeakPolarHBondContact OD1-CE1 3.05Å; N183-F245 WeakPolarHBondContact OD1-CZ 3.33Å; R243-F245 HydrophobicContact CB-CD2 4.43Å; R243-F245 HydrophobicContact CB-CE2 3.75Å; R243-F245 HydrophobicContact CB-CZ 4.46Å; R243-F245 WeakPolarHBondContact O-CD2 3.34Å; R243-F245 WeakPolarHBondContact O-CE2 3.22Å; R243-F245 PolarHBondContact O-N 3.43Å; F245-H247 VanDerWaalsContact C-N 3.29Å; F245-H247 PolarHBondContact O-N 2.86Å; F245-P252 HydrophobicContact CD1-CB 3.6Å; F245-P252 HydrophobicContact CD1-CG 3.22Å; F245-P252 HydrophobicContact CD2-CB 4.27Å; F245-P252 HydrophobicContact CE1-CB 3.57Å; F245-P252 HydrophobicContact CE1-CG 3.42Å; F245-P252 VanDerWaalsContact CE1-CG 3.42Å; F245-P252 HydrophobicContact CE2-CB 4.35Å; F245-P252 HydrophobicContact CG-CB 3.94Å; F245-P252 HydrophobicContact CG-CG 3.93Å; F245-P252 HydrophobicContact CZ-CB 3.98Å; F245-P252 HydrophobicContact CZ-CG 4.32Å; F245-M253 WeakPolarHBondContact CZ-O 3.4Å; F245-L254 HydrophobicContact CE1-CD2 4.08Å
246S59.3Low80.5Confident39 Ų3932 Ų3227%0.27317%0.166SC..SBendtrans-82.5-0.2-17236.90000114.2F307S246-F307 VanDerWaalsContact OG-CZ 3.23Å; S246-F307 WeakPolarHBondContact OG-CZ 3.45Å
247H70Confident80.7Confident38 Ų3829.1 Ų29.118%0.17615%0.151CC..  trans-139.1135.1-177.6-163.8-86000112.9F245 N249 V250 F307F245-H247 VanDerWaalsContact C-N 3.29Å; F245-H247 PolarHBondContact O-N 2.86Å; H247-N249 PolarHBondContact CE1-OD1 3.24Å; H247-N249 PolarHBondContact ND1-N 2.88Å; H247-N249 PolarHBondContact O-N 3.38Å; H247-V250 HydrophobicContact CB-CB 4.22Å; H247-V250 HydrophobicContact CB-CG2 3.9Å; H247-V250 PolarHBondContact O-N 2.89Å; H247-F307 HydrophobicContact CB-CD1 3.51Å; H247-F307 HydrophobicContact CB-CD2 4.46Å; H247-F307 HydrophobicContact CB-CE1 3.79Å; H247-F307 HydrophobicContact CB-CG 3.88Å; H247-F307 HydrophobicContact CB-CZ 4.39Å; H247-F307 WeakPolarHBondContact CD2-CB 3.44Å; H247-F307 AromaticContact CD2-CD2 3.98Å; H247-F307 AromaticContact CD2-CG 3.49Å; H247-F307 VanDerWaalsContact CD2-CG 3.49Å; H247-F307 WeakPolarHBondContact CD2-CG 3.33Å; H247-F307 AromaticContact CG-CD1 3.81Å; H247-F307 AromaticContact CG-CG 3.79Å
248P74.3Confident80.8Confident82 Ų8225.8 Ų25.853%0.53214%0.138SC..THydrogen-bonded Turntrans-64.5-38.1-178.124.8-34.1000113V250 R334P248-V250 PolarHBondContact O-N 3.36Å; P248-R334 PolarHBondContact O-NH1 2.96Å
249N87.9Confident80.6Confident13 Ų1324.9 Ų24.97%0.0714%0.135CC..THydrogen-bonded Turntrans-85.815.6179.7-50.2100.8000114.2H247 D300 A333 R334 I335H247-N249 PolarHBondContact CE1-OD1 3.24Å; H247-N249 PolarHBondContact ND1-N 2.88Å; H247-N249 PolarHBondContact O-N 3.38Å; N249-D300 WeakPolarHBondContact CB-O 3.39Å; N249-D300 VanDerWaalsContact CG-O 3.28Å; N249-D300 WeakPolarHBondContact ND2-CA 3.32Å; N249-D300 WeakPolarHBondContact ND2-CB 3.46Å; N249-D300 PolarHBondContact ND2-OD1 3.39Å; N249-A333 PolarHBondContact ND2-O 2.98Å; N249-R334 CarbonylContact O-C 3.6Å; N249-R334 WeakPolarHBondContact O-CA 3.23Å; N249-I335 PolarHBondContact O-N 3.48Å
250V86.3Confident80.3Confident1 Ų128.9 Ų28.91%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-113.3129.8171176.40000107.5I244 H247 P248 P252 F307 L308 M337I244-V250 HydrophobicContact CB-CG1 4.15Å; I244-V250 HydrophobicContact CG2-CG1 4.16Å; H247-V250 HydrophobicContact CB-CB 4.22Å; H247-V250 HydrophobicContact CB-CG2 3.9Å; H247-V250 PolarHBondContact O-N 2.89Å; P248-V250 PolarHBondContact O-N 3.36Å; V250-P252 WeakPolarHBondContact O-CD 3.4Å; V250-F307 HydrophobicContact CG2-CD1 4.22Å; V250-L308 HydrophobicContact CG1-CD2 4.5Å; V250-L308 HydrophobicContact CG2-CD1 4.47Å; V250-L308 HydrophobicContact CG2-CD2 3.9Å; V250-L308 HydrophobicContact CG2-CG 4.12Å; V250-M337 HydrophobicContact CG1-CE 4.12Å; V250-M337 HydrophobicContact CG1-CG 3.6Å; V250-M337 HydrophobicContact CG1-SD 4.06Å
251L88.6Confident80.2Confident4 Ų430.6 Ų30.62%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-93.9100.8171.6174.965.5000108.1H270 M272 M326 R334 I335 M337L251-H270 HydrophobicContact CD1-CB 4.13Å; L251-M272 HydrophobicContact CD1-CE 4.04Å; L251-M272 HydrophobicContact CD1-SD 4.2Å; L251-M272 HydrophobicContact CD2-CG 3.82Å; L251-M272 HydrophobicContact CD2-SD 4.16Å; L251-M326 HydrophobicContact CD2-CB 3.96Å; L251-M326 HydrophobicContact CD2-CG 3.73Å; L251-R334 HydrophobicContact CB-CB 3.8Å; L251-I335 PolarHBondContact N-O 2.85Å; L251-M337 WeakPolarHBondContact O-CB 3.31Å; L251-M337 PolarHBondContact O-N 2.99Å
252P85.1Confident80.2Confident11 Ų1126 Ų267%0.07116%0.156CC..  trans-67.7153.6-178.121.5-30.5000112.5I244 F245 V250 L254I244-P252 WeakPolarHBondContact O-CB 3.27Å; F245-P252 HydrophobicContact CD1-CB 3.6Å; F245-P252 HydrophobicContact CD1-CG 3.22Å; F245-P252 HydrophobicContact CD2-CB 4.27Å; F245-P252 HydrophobicContact CE1-CB 3.57Å; F245-P252 HydrophobicContact CE1-CG 3.42Å; F245-P252 VanDerWaalsContact CE1-CG 3.42Å; F245-P252 HydrophobicContact CE2-CB 4.35Å; F245-P252 HydrophobicContact CG-CB 3.94Å; F245-P252 HydrophobicContact CG-CG 3.93Å; F245-P252 HydrophobicContact CZ-CB 3.98Å; F245-P252 HydrophobicContact CZ-CG 4.32Å; V250-P252 WeakPolarHBondContact O-CD 3.4Å; P252-L254 PolarHBondContact O-N 3.4Å
253M86.3Confident80Confident0 Ų030.3 Ų30.30%018%0.184CC..  trans-66.4123.2156.5-72.6-175.646.100109.5Y239 L242 R243 F245 A256 I267 T269 M337 A338 F342Y239-M253 HydrophobicContact CD2-CE 4.22Å; Y239-M253 HydrophobicContact CG-CE 4.43Å; L242-M253 HydrophobicContact CB-CB 4.47Å; L242-M253 HydrophobicContact CB-CG 4.1Å; L242-M253 HydrophobicContact CB-SD 3.58Å; L242-M253 VanDerWaalsContact CB-SD 3.58Å; L242-M253 HydrophobicContact CD1-SD 3.65Å; L242-M253 HydrophobicContact CG-SD 4.26Å; L242-M253 PolarHBondContact O-N 2.91Å; R243-M253 HydrophobicContact CG-CB 4.28Å; R243-M253 WeakPolarHBondContact CG-O 3.31Å; F245-M253 WeakPolarHBondContact CZ-O 3.4Å; M253-A256 HydrophobicContact CE-CB 4.26Å; M253-I267 HydrophobicContact CE-CB 4.14Å; M253-I267 HydrophobicContact CE-CD1 4.34Å; M253-I267 HydrophobicContact CE-CG1 3.81Å; M253-I267 HydrophobicContact CE-CG2 3.59Å; M253-I267 HydrophobicContact CG-CG2 4Å; M253-I267 HydrophobicContact SD-CD1 4.49Å; M253-I267 HydrophobicContact SD-CG2 3.85Å; M253-T269 HydrophobicContact CG-CG2 4.39Å; M253-M337 HydrophobicContact CG-CB 4.34Å; M253-A338 HydrophobicContact CG-CB 4.19Å; M253-F342 HydrophobicContact CE-CZ 4.44Å; M253-F342 HydrophobicContact SD-CZ 4.5Å
254L81.6Confident80.4Confident1 Ų132.2 Ų32.21%0.00519%0.194CC..  trans-66.1-46.8173.6-75179.5000109.9L182 I217 R243 F245 P252 I268 H270L182-L254 HydrophobicContact CB-CD2 4.44Å; I217-L254 HydrophobicContact CG2-CD1 3.9Å; R243-L254 PolarHBondContact NE-O 3.45Å; R243-L254 VanDerWaalsContact NE-O 3.13Å; R243-L254 PolarHBondContact NH2-O 3.45Å; F245-L254 HydrophobicContact CE1-CD2 4.08Å; P252-L254 PolarHBondContact O-N 3.4Å; L254-I268 HydrophobicContact CB-CG2 4.21Å; L254-I268 HydrophobicContact CD1-CG2 4.29Å; L254-I268 PolarHBondContact N-O 3.48Å; L254-H270 WeakPolarHBondContact CD2-CE1 3.37Å
255G83.1Confident81.3Confident5 Ų531.4 Ų31.45%0.05219%0.191CC..EExtended strand (participates in β ladder)trans-175.3-172.7176.100000111I268G255-I268 PolarHBondContact O-N 3.08Å
256A86.9Confident82.6Confident0 Ų030.2 Ų30.20%019%0.186CC..EExtended strand (participates in β ladder)trans-142155.417800000110F235 Y239 M253 I266F235-A256 HydrophobicContact CE1-CB 3.79Å; F235-A256 HydrophobicContact CZ-CB 3.64Å; Y239-A256 HydrophobicContact CD1-CB 4.02Å; Y239-A256 HydrophobicContact CD2-CB 3.58Å; Y239-A256 HydrophobicContact CE1-CB 4.34Å; Y239-A256 HydrophobicContact CE2-CB 3.89Å; Y239-A256 HydrophobicContact CG-CB 3.68Å; M253-A256 HydrophobicContact CE-CB 4.26Å; A256-I266 CarbonylContact C-O 3.34Å; A256-I266 WeakPolarHBondContact CA-O 3.4Å; A256-I266 WeakPolarHBondContact CB-O 3.48Å
257C87.5Confident84.2Confident2 Ų228.4 Ų28.41%0.01417%0.173CC..EExtended strand (participates in β ladder)trans-112.7111168.9-46.80000107.9I188 H190 A262 I266I188-C257 PolarHBondContact O-SG 3.37Å; H190-C257 HydrophobicContact CB-CB 4.07Å; C257-A262 HydrophobicContact CB-CB 4.17Å; C257-I266 HydrophobicContact CB-CB 3.96Å; C257-I266 HydrophobicContact CB-CD1 4.36Å; C257-I266 HydrophobicContact CB-CG1 4.44Å; C257-I266 PolarHBondContact N-O 3.5Å; C257-I266 PolarHBondContact O-N 2.87Å
258P81.9Confident85.2Confident32 Ų3226.6 Ų26.621%0.20817%0.165CC..  trans-67.8159174.326.9-31.8000111.7F235 N236 P260 A262F235-P258 HydrophobicContact CD1-CB 4.44Å; N236-P258 WeakPolarHBondContact OD1-CB 3.37Å; P258-P260 CarbonylContact O-C 3.35Å; P258-A262 WeakPolarHBondContact O-CB 3.42Å; P258-A262 PolarHBondContact O-N 3.32Å
259S81.4Confident86Confident10 Ų1022.9 Ų22.97%0.0714%0.14CC..THydrogen-bonded Turntrans-113.2125.5171.9177.90000109.7W227 S232 A262W227-S259 PolarHBondContact NE1-O 3.27Å; S232-S259 PolarHBondContact OG-O 2.99Å; S259-A262 WeakPolarHBondContact CA-O 3.38Å; S259-A262 WeakPolarHBondContact CB-O 3.49Å; S259-A262 PolarHBondContact OG-O 3.44Å
260P78.1Confident86Confident110 Ų11025.3 Ų25.371%0.71415%0.151SC*.THydrogen-bonded Turncis-69.4162.1-11.528.2-33.7000113.5P258P258-P260 CarbonylContact O-C 3.35Å
261P78.8Confident86.2Confident88 Ų8827.6 Ų27.657%0.57116%0.16SC*.THydrogen-bonded Turncis-88.6-11.211.735.2-36.1000115.4
262A79.6Confident86.3Confident2 Ų228 Ų282%0.01716%0.162CC..SBendtrans-67149.4175.600000110.9H190 C257 P258 S259 H264 I266H190-A262 HydrophobicContact CB-CB 4.11Å; C257-A262 HydrophobicContact CB-CB 4.17Å; P258-A262 WeakPolarHBondContact O-CB 3.42Å; P258-A262 PolarHBondContact O-N 3.32Å; S259-A262 WeakPolarHBondContact CA-O 3.38Å; S259-A262 WeakPolarHBondContact CB-O 3.49Å; S259-A262 PolarHBondContact OG-O 3.44Å; A262-H264 VanDerWaalsContact CB-O 3.25Å; A262-H264 WeakPolarHBondContact CB-O 3.46Å; A262-H264 PolarHBondContact O-N 3.22Å; A262-I266 HydrophobicContact CB-CD1 4.1Å; A262-I266 HydrophobicContact CB-CG1 4.44Å
263P82.7Confident86.2Confident99 Ų9930.1 Ų30.164%0.64318%0.176SC*.SBendtrans-64.5-30.7178.225.3-33.7000112.5
264H89.1Confident86.3Confident82 Ų8231.3 Ų31.338%0.3818%0.183SC..SBendtrans-140.1156.8175.7-66.6-58.8000108.5V221 A262 I266V221-H264 HydrophobicContact CG1-CB 3.72Å; A262-H264 VanDerWaalsContact CB-O 3.25Å; A262-H264 WeakPolarHBondContact CB-O 3.46Å; A262-H264 PolarHBondContact O-N 3.22Å; H264-I266 WeakPolarHBondContact O-CG1 3.43Å; H264-I266 PolarHBondContact O-N 2.99Å
265P92.3Very high86.8Confident1 Ų131.9 Ų31.91%0.00619%0.19CC..  trans-64.9132.1173.824.2-30.1000110.5L222 I224 W227 F235L222-P265 HydrophobicContact CB-CG 4.1Å; L222-P265 WeakPolarHBondContact CB-O 3.24Å; L222-P265 HydrophobicContact CD1-CB 4.38Å; L222-P265 HydrophobicContact CD1-CG 4.32Å; L222-P265 PolarHBondContact N-O 2.98Å; I224-P265 HydrophobicContact CG1-CG 4.27Å; W227-P265 HydrophobicContact CD2-CG 4.45Å; W227-P265 HydrophobicContact CE3-CG 4.02Å; W227-P265 HydrophobicContact CH2-CB 3.74Å; W227-P265 HydrophobicContact CH2-CG 3.56Å; W227-P265 HydrophobicContact CZ2-CB 4.07Å; W227-P265 HydrophobicContact CZ2-CG 3.99Å; W227-P265 HydrophobicContact CZ3-CB 4.27Å; W227-P265 HydrophobicContact CZ3-CG 3.58Å; F235-P265 HydrophobicContact CD1-CB 4.3Å; F235-P265 HydrophobicContact CD2-CB 4.44Å; F235-P265 HydrophobicContact CE1-CB 4.05Å; F235-P265 HydrophobicContact CE2-CB 4.2Å; F235-P265 HydrophobicContact CG-CB 4.47Å; F235-P265 HydrophobicContact CZ-CB 3.97Å
266I93.2Very high87.3Confident14 Ų1432.9 Ų32.97%0.07220%0.196CC..EExtended strand (participates in β ladder)trans-118.1137.3-174.4-57.8175.1000109.6H190 L193 V219 K220 V221 A256 C257 A262 H264 I268H190-I266 HydrophobicContact CB-CD1 4.05Å; L193-I266 HydrophobicContact CD1-CG2 4.34Å; V219-I266 HydrophobicContact CG1-CG2 3.34Å; K220-I266 WeakPolarHBondContact O-CA 3.25Å; V221-I266 HydrophobicContact CG2-CG1 4.36Å; A256-I266 CarbonylContact C-O 3.34Å; A256-I266 WeakPolarHBondContact CA-O 3.4Å; A256-I266 WeakPolarHBondContact CB-O 3.48Å; C257-I266 HydrophobicContact CB-CB 3.96Å; C257-I266 HydrophobicContact CB-CD1 4.36Å; C257-I266 HydrophobicContact CB-CG1 4.44Å; C257-I266 PolarHBondContact N-O 3.5Å; C257-I266 PolarHBondContact O-N 2.87Å; A262-I266 HydrophobicContact CB-CD1 4.1Å; A262-I266 HydrophobicContact CB-CG1 4.44Å; H264-I266 WeakPolarHBondContact O-CG1 3.43Å; H264-I266 PolarHBondContact O-N 2.99Å; I266-I268 HydrophobicContact CG2-CG1 4.15Å
267I92.9Very high87.8Confident1 Ų132.9 Ų32.91%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-112138171.6-65.6170.5000109K220 L222 F235 M253 A338 F342K220-I267 HydrophobicContact CB-CB 4.2Å; K220-I267 PolarHBondContact N-O 3.33Å; K220-I267 PolarHBondContact O-N 3.11Å; L222-I267 HydrophobicContact CD1-CD1 3.8Å; L222-I267 HydrophobicContact CD1-CG1 4.19Å; L222-I267 HydrophobicContact CD2-CD1 4.16Å; L222-I267 HydrophobicContact CG-CD1 4.23Å; F235-I267 HydrophobicContact CE2-CG1 4.15Å; F235-I267 HydrophobicContact CZ-CG1 4.26Å; M253-I267 HydrophobicContact CE-CB 4.14Å; M253-I267 HydrophobicContact CE-CD1 4.34Å; M253-I267 HydrophobicContact CE-CG1 3.81Å; M253-I267 HydrophobicContact CE-CG2 3.59Å; M253-I267 HydrophobicContact CG-CG2 4Å; M253-I267 HydrophobicContact SD-CD1 4.49Å; M253-I267 HydrophobicContact SD-CG2 3.85Å; I267-A338 HydrophobicContact CG2-CB 3.55Å; I267-F342 HydrophobicContact CD1-CD2 4.47Å; I267-F342 HydrophobicContact CD1-CE2 3.48Å; I267-F342 VanDerWaalsContact CD1-CE2 3.48Å; I267-F342 HydrophobicContact CD1-CZ 4.04Å; I267-F342 HydrophobicContact CG1-CE2 4.42Å
268I91.1Very high88.1Confident0 Ų034.8 Ų34.80%020%0.203CC..EExtended strand (participates in β ladder)trans-122.7131.7-178-57.3157.6000109.4I188 L193 I217 L254 G255 I266I188-I268 HydrophobicContact CB-CD1 3.81Å; I188-I268 HydrophobicContact CD1-CB 4.36Å; I188-I268 HydrophobicContact CD1-CD1 3.51Å; I188-I268 HydrophobicContact CD1-CG2 4.46Å; I188-I268 HydrophobicContact CG1-CD1 4.22Å; I188-I268 HydrophobicContact CG2-CD1 3.67Å; L193-I268 HydrophobicContact CD1-CD1 3.96Å; L193-I268 HydrophobicContact CD1-CG1 4.37Å; L193-I268 HydrophobicContact CD2-CD1 3.79Å; L193-I268 HydrophobicContact CD2-CG1 4.47Å; L193-I268 HydrophobicContact CG-CD1 4.48Å; I217-I268 HydrophobicContact CB-CG2 4.04Å; I217-I268 HydrophobicContact CD1-CG2 3.77Å; I217-I268 HydrophobicContact CG2-CG2 4.13Å; L254-I268 HydrophobicContact CB-CG2 4.21Å; L254-I268 HydrophobicContact CD1-CG2 4.29Å; L254-I268 PolarHBondContact N-O 3.48Å; G255-I268 PolarHBondContact O-N 3.08Å; I266-I268 HydrophobicContact CG2-CG1 4.15Å
269T91.5Very high88.6Confident4 Ų437.6 Ų37.63%0.02521%0.212CC..EExtended strand (participates in β ladder)trans-136.1167175.844.90000110I217 A218 M253 A338I217-T269 CarbonylContact C-O 3.33Å; I217-T269 VanDerWaalsContact CA-O 3.29Å; I217-T269 WeakPolarHBondContact CA-O 3.42Å; I217-T269 WeakPolarHBondContact CB-O 3.46Å; A218-T269 PolarHBondContact N-O 3.46Å; A218-T269 PolarHBondContact O-N 2.84Å; A218-T269 PolarHBondContact O-OG1 3.01Å; M253-T269 HydrophobicContact CG-CG2 4.39Å; T269-A338 HydrophobicContact CG2-CB 3.4Å
270H88.3Confident89.2Confident64 Ų6437.6 Ų37.630%0.29621%0.212SC..EExtended strand (participates in β ladder)trans-61.7142.6169.1-66.899.9000110.4L251 L254 M272L251-H270 HydrophobicContact CD1-CB 4.13Å; L254-H270 WeakPolarHBondContact CD2-CE1 3.37Å; H270-M272 HydrophobicContact CB-CE 3.7Å
271W90Very high89.9Confident49 Ų4933.4 Ų33.419%0.18618%0.183CC..  trans-68.8132.2169.8178.4-108.1000109.7R199 Q209 E216 A218R199-W271 HydrophobicContact CG-CH2 3.8Å; R199-W271 HydrophobicContact CG-CZ3 4.09Å; Q209-W271 HydrophobicContact CB-CE3 3.99Å; Q209-W271 HydrophobicContact CB-CH2 4.22Å; Q209-W271 HydrophobicContact CB-CZ3 3.83Å; Q209-W271 HydrophobicContact CG-CD2 3.81Å; Q209-W271 HydrophobicContact CG-CE3 3.74Å; Q209-W271 HydrophobicContact CG-CG 4.38Å; Q209-W271 HydrophobicContact CG-CH2 4.33Å; Q209-W271 HydrophobicContact CG-CZ2 4.35Å; Q209-W271 HydrophobicContact CG-CZ3 4.02Å; E216-W271 HydrophobicContact CB-CB 3.84Å; E216-W271 HydrophobicContact CB-CG 4.38Å; E216-W271 PolarHBondContact O-N 2.98Å; A218-W271 HydrophobicContact CB-CE3 4Å
272M89.8Confident90.6Very high13 Ų1331.6 Ų31.66%0.06417%0.167CC..  trans-113.5104.4179.8-62.9-7910400107.7L251 H270 C274 G275 M326 D328L251-M272 HydrophobicContact CD1-CE 4.04Å; L251-M272 HydrophobicContact CD1-SD 4.2Å; L251-M272 HydrophobicContact CD2-CG 3.82Å; L251-M272 HydrophobicContact CD2-SD 4.16Å; H270-M272 HydrophobicContact CB-CE 3.7Å; M272-C274 PolarHBondContact O-N 3.44Å; M272-G275 PolarHBondContact O-N 3.42Å; M272-M326 HydrophobicContact CB-CB 4.13Å; M272-M326 HydrophobicContact CB-CE 3.67Å; M272-M326 HydrophobicContact CG-CB 3.72Å; M272-M326 HydrophobicContact CG-CE 4.08Å; M272-M326 HydrophobicContact CG-CG 4.28Å; M272-M326 HydrophobicContact SD-CB 4.24Å; M272-D328 HydrophobicContact SD-CB 4.3Å
273P84.8Confident90.9Very high56 Ų5637.5 Ų37.536%0.36419%0.194SC..THydrogen-bonded Turntrans-63.2-36.3-169.4-28.739.1000114.4G275 E329P273-G275 PolarHBondContact O-N 3.28Å; P273-E329 HydrophobicContact CB-CG 4.16Å; P273-E329 HydrophobicContact CG-CG 3.63Å; P273-E329 WeakPolarHBondContact CG-OE1 3.39Å
274C88.3Confident90.3Very high24 Ų2435.6 Ų35.616%0.16219%0.192CC..THydrogen-bonded Turntrans-72.2-17.6176.5-57.90000112.5M272 V280 F287 I327M272-C274 PolarHBondContact O-N 3.44Å; C274-V280 HydrophobicContact CB-CG2 4.36Å; C274-F287 HydrophobicContact CB-CE1 4.21Å; C274-I327 HydrophobicContact CB-CB 3.85Å; C274-I327 HydrophobicContact CB-CG2 3.93Å; C274-I327 WeakPolarHBondContact CB-O 3.23Å
275G91.5Very high89.5Confident14 Ų1433.7 Ų33.714%0.14419%0.186CC..EExtended strand (participates in β ladder)trans78.5-153.5-178.700000112.9M272 P273 M326 I327M272-G275 PolarHBondContact O-N 3.42Å; P273-G275 PolarHBondContact O-N 3.28Å; G275-M326 VanDerWaalsContact C-CE 3.48Å; G275-M326 WeakPolarHBondContact O-CA 3.28Å; G275-I327 PolarHBondContact O-N 3.25Å
276S94.4Very high88.2Confident25 Ų2539.9 Ų39.918%0.17523%0.23CC..EExtended strand (participates in β ladder)trans-77.9156.5178.962.80000111.7Y278 K279 V280 I325S276-Y278 PolarHBondContact O-N 3.11Å; S276-K279 WeakPolarHBondContact O-CB 3.5Å; S276-K279 PolarHBondContact O-N 2.67Å; S276-K279 PolarHBondContact OG-N 3.33Å; S276-V280 PolarHBondContact O-N 3.18Å; S276-V280 VanDerWaalsContact O-N 3.11Å; S276-I325 CarbonylContact C-O 3.57Å; S276-I325 WeakPolarHBondContact CA-O 3.21Å
277L95.8Very high87.5Confident0 Ų041.2 Ų41.20%024%0.235CC..Hα-helixtrans-56.8-38.1173.117862.6000111.1K279 V280 L281 F297 I301 S322 I325 I327 L381 L385L277-K279 VanDerWaalsContact C-N 3.3Å; L277-K279 PolarHBondContact O-N 3.38Å; L277-V280 WeakPolarHBondContact O-CB 3.22Å; L277-V280 PolarHBondContact O-N 3.11Å; L277-L281 HydrophobicContact CD1-CD1 3.89Å; L277-L281 HydrophobicContact CD1-CD2 4.18Å; L277-L281 HydrophobicContact CD1-CG 3.86Å; L277-L281 HydrophobicContact CD2-CD1 4.42Å; L277-L281 HydrophobicContact CG-CD1 3.83Å; L277-L281 HydrophobicContact CG-CG 4.19Å; L277-L281 VanDerWaalsContact O-CG 3.32Å; L277-L281 WeakPolarHBondContact O-CG 3.5Å; L277-L281 PolarHBondContact O-N 3.36Å; L277-F297 HydrophobicContact CD1-CD2 4.01Å; L277-F297 HydrophobicContact CD1-CE2 4.22Å; L277-I301 HydrophobicContact CD2-CD1 4.13Å; L277-S322 WeakPolarHBondContact CB-O 3.47Å; L277-S322 PolarHBondContact N-O 2.93Å; L277-I325 HydrophobicContact CB-CB 3.9Å; L277-I325 HydrophobicContact CB-CG2 3.96Å; L277-I325 HydrophobicContact CD2-CB 4.35Å; L277-I325 HydrophobicContact CD2-CG2 4.27Å; L277-I325 PolarHBondContact N-O 2.81Å; L277-I327 HydrophobicContact CB-CD1 4.23Å; L277-I327 HydrophobicContact CB-CG1 4.34Å; L277-I327 HydrophobicContact CD1-CD1 4.18Å; L277-I327 HydrophobicContact CD1-CG1 4.41Å; L277-L381 HydrophobicContact CD2-CD2 4.26Å; L277-L385 HydrophobicContact CD1-CD2 3.89Å; L277-L385 HydrophobicContact CD2-CD2 4.04Å; L277-L385 HydrophobicContact CD2-CG 4.33Å; L277-L385 HydrophobicContact CG-CD2 4.48Å
278Y95Very high86.9Confident43 Ų4347.7 Ų47.717%0.16927%0.274CS..Hα-helixtrans-55.8-45.1174.7-173.7-86.2000112S276 L281 H282 E283 S322 K323 W355 V390S276-Y278 PolarHBondContact O-N 3.11Å; Y278-L281 PolarHBondContact O-N 3.05Å; Y278-H282 AromaticContact CD2-CD2 3.61Å; Y278-H282 HydrophobicContact CE1-CB 4.41Å; Y278-H282 AromaticContact CE2-CD2 3.69Å; Y278-H282 AromaticContact CG-CD2 3.96Å; Y278-H282 WeakPolarHBondContact O-CB 3.15Å; Y278-H282 PolarHBondContact O-CD2 3.38Å; Y278-H282 PolarHBondContact O-N 3.29Å; Y278-E283 HydrophobicContact CD1-CG 4.47Å; Y278-E283 HydrophobicContact CE1-CG 4.28Å; Y278-E283 WeakPolarHBondContact CE1-OE1 3.47Å; Y278-S322 WeakPolarHBondContact CD2-OG 3.35Å; Y278-S322 PolarHBondContact N-O 3.11Å; Y278-K323 HydrophobicContact CD2-CG 4.06Å; Y278-K323 HydrophobicContact CG-CG 3.89Å; Y278-W355 HydrophobicContact CD2-CH2 4.48Å; Y278-W355 HydrophobicContact CE2-CH2 4.37Å; Y278-V390 HydrophobicContact CE2-CG1 4.21Å; Y278-V390 HydrophobicContact CE2-CG2 4.08Å
279K92.6Very high86.8Confident90 Ų9048 Ų4839%0.39128%0.276SS..Hα-helixtrans-63.7-43.6177.9-174.6178.3-176.5177.80111.4S276 L277 L281 E283 G284S276-K279 WeakPolarHBondContact O-CB 3.5Å; S276-K279 PolarHBondContact O-N 2.67Å; S276-K279 PolarHBondContact OG-N 3.33Å; L277-K279 VanDerWaalsContact C-N 3.3Å; L277-K279 PolarHBondContact O-N 3.38Å; K279-L281 VanDerWaalsContact C-N 3.32Å; K279-L281 PolarHBondContact O-N 2.95Å; K279-E283 HydrophobicContact CB-CB 4.5Å; K279-E283 HydrophobicContact CG-CB 3.93Å; K279-E283 PolarHBondContact O-N 3.01Å; K279-G284 PolarHBondContact O-N 3.36Å
280V92.9Very high86.7Confident10 Ų1052.2 Ų52.26%0.06130%0.299CS..Hα-helixtrans-59.2-41.5177.7171.60000112.1C274 S276 L277 T285 F287 V289 I327C274-V280 HydrophobicContact CB-CG2 4.36Å; S276-V280 PolarHBondContact O-N 3.18Å; S276-V280 VanDerWaalsContact O-N 3.11Å; L277-V280 WeakPolarHBondContact O-CB 3.22Å; L277-V280 PolarHBondContact O-N 3.11Å; V280-T285 WeakPolarHBondContact CA-OG1 3.38Å; V280-T285 HydrophobicContact CB-CG2 4.23Å; V280-T285 HydrophobicContact CG2-CG2 3.9Å; V280-T285 PolarHBondContact O-OG1 3.36Å; V280-F287 HydrophobicContact CB-CZ 4.36Å; V280-F287 HydrophobicContact CG1-CE1 4.19Å; V280-F287 HydrophobicContact CG1-CE2 3.76Å; V280-F287 HydrophobicContact CG1-CZ 3.44Å; V280-F287 VanDerWaalsContact CG1-CZ 3.44Å; V280-F287 HydrophobicContact CG2-CE1 4.2Å; V280-F287 HydrophobicContact CG2-CZ 3.91Å; V280-V289 HydrophobicContact CG1-CG2 3.57Å; V280-I327 HydrophobicContact CG2-CB 4.3Å; V280-I327 HydrophobicContact CG2-CG1 4Å
281L93.3Very high86.6Confident22 Ų2255.1 Ų55.112%0.11531%0.312CS..Hα-helixtrans-81.7-35.9-176.6-60.7177.7000113L277 Y278 K279 V289 E384 L385L277-L281 HydrophobicContact CD1-CD1 3.89Å; L277-L281 HydrophobicContact CD1-CD2 4.18Å; L277-L281 HydrophobicContact CD1-CG 3.86Å; L277-L281 HydrophobicContact CD2-CD1 4.42Å; L277-L281 HydrophobicContact CG-CD1 3.83Å; L277-L281 HydrophobicContact CG-CG 4.19Å; L277-L281 VanDerWaalsContact O-CG 3.32Å; L277-L281 WeakPolarHBondContact O-CG 3.5Å; L277-L281 PolarHBondContact O-N 3.36Å; Y278-L281 PolarHBondContact O-N 3.05Å; K279-L281 VanDerWaalsContact C-N 3.32Å; K279-L281 PolarHBondContact O-N 2.95Å; L281-V289 HydrophobicContact CD2-CB 4.41Å; L281-V289 HydrophobicContact CD2-CG2 4.26Å; L281-E384 HydrophobicContact CD1-CG 3.91Å; L281-L385 HydrophobicContact CD1-CD2 4.2Å; L281-L385 HydrophobicContact CD2-CD2 4.36Å
282H93Very high86.6Confident51 Ų5158.3 Ų58.324%0.23633%0.331CS..Hα-helixtrans-124.1-24.3-162.9-52.2-58.3000115.8Y278 E384 E389 V390Y278-H282 AromaticContact CD2-CD2 3.61Å; Y278-H282 HydrophobicContact CE1-CB 4.41Å; Y278-H282 AromaticContact CE2-CD2 3.69Å; Y278-H282 AromaticContact CG-CD2 3.96Å; Y278-H282 WeakPolarHBondContact O-CB 3.15Å; Y278-H282 PolarHBondContact O-CD2 3.38Å; Y278-H282 PolarHBondContact O-N 3.29Å; H282-E384 IonicContact CD2-OE1 3.93Å; H282-E384 IonicContact CE1-OE1 3.72Å; H282-E384 IonicContact NE2-OE1 3.27Å; H282-E384 PolarHBondContact NE2-OE1 2.97Å; H282-E389 PolarHBondContact CE1-O 2.87Å; H282-V390 HydrophobicContact CB-CG2 4.17Å
283E87.4Confident86.7Confident126 Ų12659.1 Ų59.159%0.58933%0.334SS*.SBendtrans-106.26.6-173.6-63.9178.6179.200113Y278 K279Y278-E283 HydrophobicContact CD1-CG 4.47Å; Y278-E283 HydrophobicContact CE1-CG 4.28Å; Y278-E283 WeakPolarHBondContact CE1-OE1 3.47Å; K279-E283 HydrophobicContact CB-CB 4.5Å; K279-E283 HydrophobicContact CG-CB 3.93Å; K279-E283 PolarHBondContact O-N 3.01Å
284G69.7Low87.2Confident58 Ų5856.6 Ų56.660%0.59832%0.319SS*.  trans82116177.100000112.9K279K279-G284 PolarHBondContact O-N 3.36Å
285T72.1Confident87.4Confident42 Ų4255.9 Ų55.926%0.25831%0.313SS..  trans-124.7167.6171.647.60000112V280 F287V280-T285 WeakPolarHBondContact CA-OG1 3.38Å; V280-T285 HydrophobicContact CB-CG2 4.23Å; V280-T285 HydrophobicContact CG2-CG2 3.9Å; V280-T285 PolarHBondContact O-OG1 3.36Å; T285-F287 PolarHBondContact O-N 3.46Å; T285-F287 VanDerWaalsContact O-N 3.15Å; T285-F287 PolarHBondContact OG1-O 3.11Å
286S64.4Low87.6Confident131 Ų13157.6 Ų57.692%0.91632%0.317SS*.SBendtrans-64.5-12.9179.851.60000114.4
287F79.4Confident87.7Confident43 Ų4356.4 Ų56.419%0.18931%0.308CS..SBendtrans-128.4147.8179.970.2-81.1000111.5C274 V280 T285 V289 F297 I327 L331C274-F287 HydrophobicContact CB-CE1 4.21Å; V280-F287 HydrophobicContact CB-CZ 4.36Å; V280-F287 HydrophobicContact CG1-CE1 4.19Å; V280-F287 HydrophobicContact CG1-CE2 3.76Å; V280-F287 HydrophobicContact CG1-CZ 3.44Å; V280-F287 VanDerWaalsContact CG1-CZ 3.44Å; V280-F287 HydrophobicContact CG2-CE1 4.2Å; V280-F287 HydrophobicContact CG2-CZ 3.91Å; T285-F287 PolarHBondContact O-N 3.46Å; T285-F287 VanDerWaalsContact O-N 3.15Å; T285-F287 PolarHBondContact OG1-O 3.11Å; F287-V289 HydrophobicContact CD2-CG2 4.09Å; F287-V289 HydrophobicContact CE2-CG2 3.61Å; F287-F297 HydrophobicContact CE2-CZ 4.28Å; F287-I327 HydrophobicContact CZ-CG2 4.19Å; F287-L331 HydrophobicContact CD1-CD2 4.21Å; F287-L331 HydrophobicContact CD2-CD2 3.9Å; F287-L331 HydrophobicContact CE1-CD2 3.86Å; F287-L331 HydrophobicContact CE2-CD2 3.49Å; F287-L331 VanDerWaalsContact CE2-CD2 3.49Å; F287-L331 HydrophobicContact CG-CD2 4.24Å; F287-L331 HydrophobicContact CZ-CD2 3.48Å; F287-L331 VanDerWaalsContact CZ-CD2 3.48Å
288V80.4Confident87.7Confident136 Ų13656.4 Ų56.482%0.82431%0.308SS*.  trans-96.2125.6173.9179.30000107.5D290V288-D290 PolarHBondContact O-N 3.09Å
289V87.4Confident87.8Confident7 Ų755 Ų554%0.04230%0.304CS..  trans-76.6120.8173.7179.80000107V280 L281 F287 Q293 A294 F297 R388V280-V289 HydrophobicContact CG1-CG2 3.57Å; L281-V289 HydrophobicContact CD2-CB 4.41Å; L281-V289 HydrophobicContact CD2-CG2 4.26Å; F287-V289 HydrophobicContact CD2-CG2 4.09Å; F287-V289 HydrophobicContact CE2-CG2 3.61Å; V289-Q293 HydrophobicContact CG1-CB 3.89Å; V289-Q293 HydrophobicContact CG1-CG 3.87Å; V289-A294 HydrophobicContact CG1-CB 4.13Å; V289-F297 HydrophobicContact CB-CE2 4.47Å; V289-F297 HydrophobicContact CG1-CD2 3.97Å; V289-F297 HydrophobicContact CG1-CE2 3.9Å; V289-F297 HydrophobicContact CG2-CD2 4.47Å; V289-F297 HydrophobicContact CG2-CE2 3.68Å; V289-R388 VanDerWaalsContact C-NH2 3.3Å; V289-R388 VanDerWaalsContact CB-NH1 3.32Å; V289-R388 VanDerWaalsContact CB-NH2 3.3Å; V289-R388 PolarHBondContact O-NH1 3.27Å; V289-R388 PolarHBondContact O-NH2 2.96Å
290D89.6Confident87.8Confident92 Ų9251.7 Ų51.749%0.49229%0.291SS..  trans-90.1-172.8173.3677.8000110.8V288 M292 Q293 A294V288-D290 PolarHBondContact O-N 3.09Å; D290-M292 VanDerWaalsContact C-N 3.34Å; D290-M292 PolarHBondContact OD1-N 3.3Å; D290-M292 VanDerWaalsContact OD1-N 3.15Å; D290-Q293 VanDerWaalsContact OD1-CB 3.25Å; D290-Q293 WeakPolarHBondContact OD1-CB 3.41Å; D290-Q293 PolarHBondContact OD1-N 3.03Å; D290-A294 VanDerWaalsContact O-CB 3.29Å; D290-A294 WeakPolarHBondContact O-CB 3.4Å; D290-A294 PolarHBondContact O-N 2.82Å
291Q87.4Confident88Confident125 Ų12551.2 Ų51.258%0.58429%0.288SS*.Hα-helixtrans-65.6-37.6179.6-172.9177.9-1500112.1A294 V295Q291-A294 PolarHBondContact O-N 2.92Å; Q291-V295 WeakPolarHBondContact O-CG2 3.47Å; Q291-V295 PolarHBondContact O-N 2.99Å
292M89.6Confident88.2Confident116 Ų11650.2 Ų50.257%0.57128%0.282SS*.Hα-helixtrans-68.5-45.1-178.9-173.4178.9-72.300110.9D290 A294 V295 K296D290-M292 VanDerWaalsContact C-N 3.34Å; D290-M292 PolarHBondContact OD1-N 3.3Å; D290-M292 VanDerWaalsContact OD1-N 3.15Å; M292-A294 VanDerWaalsContact C-N 3.32Å; M292-A294 PolarHBondContact O-N 2.8Å; M292-V295 PolarHBondContact O-N 3.1Å; M292-K296 PolarHBondContact O-N 3.13Å
293Q92.6Very high88Confident30 Ų3049 Ų4914%0.1428%0.279CS..Hα-helixtrans-67.1-33.5176.2-172.159.455.300111.8V289 D290 K296 F297 L331V289-Q293 HydrophobicContact CG1-CB 3.89Å; V289-Q293 HydrophobicContact CG1-CG 3.87Å; D290-Q293 VanDerWaalsContact OD1-CB 3.25Å; D290-Q293 WeakPolarHBondContact OD1-CB 3.41Å; D290-Q293 PolarHBondContact OD1-N 3.03Å; Q293-K296 PolarHBondContact O-N 3.44Å; Q293-F297 HydrophobicContact CG-CD2 4.26Å; Q293-F297 HydrophobicContact CG-CE1 4.46Å; Q293-F297 HydrophobicContact CG-CE2 3.84Å; Q293-F297 HydrophobicContact CG-CZ 3.94Å; Q293-F297 VanDerWaalsContact NE2-CD1 3.29Å; Q293-F297 WeakPolarHBondContact O-CD2 3.11Å; Q293-F297 WeakPolarHBondContact O-CG 3.26Å; Q293-F297 PolarHBondContact O-N 2.9Å; Q293-L331 PolarHBondContact NE2-O 2.89Å; Q293-L331 VanDerWaalsContact NE2-O 3.12Å
294A93.7Very high88Confident4 Ų443 Ų433%0.03325%0.251CS..Hα-helixtrans-63.8-43.1172.500000112.1V289 D290 Q291 M292 F297 A298 L385V289-A294 HydrophobicContact CG1-CB 4.13Å; D290-A294 VanDerWaalsContact O-CB 3.29Å; D290-A294 WeakPolarHBondContact O-CB 3.4Å; D290-A294 PolarHBondContact O-N 2.82Å; Q291-A294 PolarHBondContact O-N 2.92Å; M292-A294 VanDerWaalsContact C-N 3.32Å; M292-A294 PolarHBondContact O-N 2.8Å; A294-F297 PolarHBondContact O-N 3.06Å; A294-A298 WeakPolarHBondContact O-CB 3.23Å; A294-A298 PolarHBondContact O-N 2.9Å; A294-L385 HydrophobicContact CB-CB 4.26Å; A294-L385 HydrophobicContact CB-CD2 4.48Å
295V94.2Very high89.2Confident9 Ų940.2 Ų40.26%0.05522%0.223CC..Hα-helixtrans-64.9-41.3174.4173.30000110.9Q291 M292 A298 L299 I421 M449 Q450Q291-V295 WeakPolarHBondContact O-CG2 3.47Å; Q291-V295 PolarHBondContact O-N 2.99Å; M292-V295 PolarHBondContact O-N 3.1Å; V295-A298 WeakPolarHBondContact O-CB 3.38Å; V295-A298 PolarHBondContact O-N 3.49Å; V295-L299 PolarHBondContact O-N 3.18Å; V295-I421 HydrophobicContact CG2-CD1 4.1Å; V295-M449 HydrophobicContact CG1-CB 3.83Å; V295-Q450 HydrophobicContact CG1-CB 4.36Å
296K94.1Very high89.9Confident49 Ų4939.3 Ų39.321%0.21322%0.219CC..Hα-helixtrans-58.8-48.9174-177.1-174.2172.2-153.40111.7M292 Q293 A298 L299 D300 D330 L331M292-K296 PolarHBondContact O-N 3.13Å; Q293-K296 PolarHBondContact O-N 3.44Å; K296-A298 VanDerWaalsContact C-N 3.31Å; K296-A298 PolarHBondContact O-N 2.91Å; K296-L299 WeakPolarHBondContact O-CB 3.35Å; K296-L299 PolarHBondContact O-N 3.43Å; K296-L299 VanDerWaalsContact O-N 3.16Å; K296-D300 PolarHBondContact O-N 3.21Å; K296-D330 PolarHBondContact NZ-O 3.4Å; K296-L331 WeakPolarHBondContact CE-O 3.25Å; K296-L331 PolarHBondContact NZ-O 3.37Å
297F96.6Very high90.9Very high0 Ų034.8 Ų34.80%018%0.183CC..Hα-helixtrans-61.2-40.2176.2-71.3-29.2000112.3L277 F287 V289 Q293 A294 L299 D300 I301 I327 L331 A333 L385L277-F297 HydrophobicContact CD1-CD2 4.01Å; L277-F297 HydrophobicContact CD1-CE2 4.22Å; F287-F297 HydrophobicContact CE2-CZ 4.28Å; V289-F297 HydrophobicContact CB-CE2 4.47Å; V289-F297 HydrophobicContact CG1-CD2 3.97Å; V289-F297 HydrophobicContact CG1-CE2 3.9Å; V289-F297 HydrophobicContact CG2-CD2 4.47Å; V289-F297 HydrophobicContact CG2-CE2 3.68Å; Q293-F297 HydrophobicContact CG-CD2 4.26Å; Q293-F297 HydrophobicContact CG-CE1 4.46Å; Q293-F297 HydrophobicContact CG-CE2 3.84Å; Q293-F297 HydrophobicContact CG-CZ 3.94Å; Q293-F297 VanDerWaalsContact NE2-CD1 3.29Å; Q293-F297 WeakPolarHBondContact O-CD2 3.11Å; Q293-F297 WeakPolarHBondContact O-CG 3.26Å; Q293-F297 PolarHBondContact O-N 2.9Å; A294-F297 PolarHBondContact O-N 3.06Å; F297-L299 VanDerWaalsContact C-N 3.34Å; F297-L299 PolarHBondContact O-N 2.93Å; F297-D300 PolarHBondContact O-N 3.43Å; F297-I301 WeakPolarHBondContact O-CB 3.49Å; F297-I301 VanDerWaalsContact O-CD1 3.3Å; F297-I301 WeakPolarHBondContact O-CD1 3.37Å; F297-I301 WeakPolarHBondContact O-CG1 3.48Å; F297-I301 PolarHBondContact O-N 3.18Å; F297-I327 HydrophobicContact CD1-CD1 4.11Å; F297-I327 HydrophobicContact CE1-CD1 3.75Å; F297-I327 HydrophobicContact CE1-CG2 4.02Å; F297-I327 HydrophobicContact CE2-CD1 4.35Å; F297-I327 HydrophobicContact CZ-CD1 3.91Å; F297-I327 HydrophobicContact CZ-CG1 4.26Å; F297-I327 HydrophobicContact CZ-CG2 3.84Å; F297-L331 HydrophobicContact CE1-CB 4.37Å; F297-L331 WeakPolarHBondContact CE1-O 3.38Å; F297-L331 HydrophobicContact CZ-CB 4.48Å; F297-A333 HydrophobicContact CB-CB 4.33Å; F297-A333 HydrophobicContact CD1-CB 3.75Å; F297-A333 HydrophobicContact CE1-CB 4.44Å; F297-A333 HydrophobicContact CG-CB 4.33Å; F297-L385 HydrophobicContact CB-CD1 4.32Å; F297-L385 HydrophobicContact CB-CD2 4.1Å; F297-L385 HydrophobicContact CD2-CD2 4.01Å
298A97.3Very high91.1Very high0 Ų033 Ų330%018%0.176CC..Hα-helixtrans-61.9-41.9174.600000111.8A294 V295 K296 A302 F378 L382 L385 L446A294-A298 WeakPolarHBondContact O-CB 3.23Å; A294-A298 PolarHBondContact O-N 2.9Å; V295-A298 WeakPolarHBondContact O-CB 3.38Å; V295-A298 PolarHBondContact O-N 3.49Å; K296-A298 VanDerWaalsContact C-N 3.31Å; K296-A298 PolarHBondContact O-N 2.91Å; A298-A302 VanDerWaalsContact O-CB 3.23Å; A298-A302 WeakPolarHBondContact O-CB 3.42Å; A298-A302 PolarHBondContact O-N 2.83Å; A298-F378 HydrophobicContact CB-CE2 4.35Å; A298-F378 HydrophobicContact CB-CZ 4.17Å; A298-F378 WeakPolarHBondContact O-CE2 3.49Å; A298-L382 HydrophobicContact CB-CD1 3.89Å; A298-L385 HydrophobicContact CB-CD1 4.17Å; A298-L446 HydrophobicContact CB-CD2 4.19Å
299L95.1Very high91.4Very high15 Ų1526.9 Ų26.98%0.07914%0.138CC..Hα-helixtrans-63.3-46.5175.9176.361.3000111.9V295 K296 F297 I301 A302 S303 V443 L446 E447V295-L299 PolarHBondContact O-N 3.18Å; K296-L299 WeakPolarHBondContact O-CB 3.35Å; K296-L299 PolarHBondContact O-N 3.43Å; K296-L299 VanDerWaalsContact O-N 3.16Å; F297-L299 VanDerWaalsContact C-N 3.34Å; F297-L299 PolarHBondContact O-N 2.93Å; L299-I301 PolarHBondContact O-N 3.3Å; L299-A302 PolarHBondContact O-N 2.81Å; L299-S303 WeakPolarHBondContact O-CB 3.44Å; L299-S303 PolarHBondContact O-N 3.27Å; L299-S303 PolarHBondContact O-OG 3.06Å; L299-V443 HydrophobicContact CD1-CG1 4.02Å; L299-L446 HydrophobicContact CB-CB 4.11Å; L299-L446 HydrophobicContact CD1-CB 3.84Å; L299-E447 HydrophobicContact CD1-CG 3.75Å; L299-E447 HydrophobicContact CD2-CG 4.01Å
300D93.5Very high90.9Very high20 Ų2030.8 Ų30.811%0.10716%0.162CC..Hα-helixtrans-57.5-48.6177.7-80.9-20.9000111.2N249 K296 F297 S303 G304 T332 A333N249-D300 WeakPolarHBondContact CB-O 3.39Å; N249-D300 VanDerWaalsContact CG-O 3.28Å; N249-D300 WeakPolarHBondContact ND2-CA 3.32Å; N249-D300 WeakPolarHBondContact ND2-CB 3.46Å; N249-D300 PolarHBondContact ND2-OD1 3.39Å; K296-D300 PolarHBondContact O-N 3.21Å; F297-D300 PolarHBondContact O-N 3.43Å; D300-S303 PolarHBondContact O-N 2.89Å; D300-G304 PolarHBondContact O-N 3.14Å; D300-T332 WeakPolarHBondContact OD2-CA 3.34Å; D300-A333 HydrophobicContact CB-CB 3.79Å; D300-A333 PolarHBondContact OD2-N 2.98Å
301I97.8Very high90.1Very high0 Ų028 Ų280%015%0.147CC..Hα-helixtrans-64.3-44.9178.4-64161.5000110.4L277 F297 L299 S303 G304 M305 L320 I325 A333 F378 L381L277-I301 HydrophobicContact CD2-CD1 4.13Å; F297-I301 WeakPolarHBondContact O-CB 3.49Å; F297-I301 VanDerWaalsContact O-CD1 3.3Å; F297-I301 WeakPolarHBondContact O-CD1 3.37Å; F297-I301 WeakPolarHBondContact O-CG1 3.48Å; F297-I301 PolarHBondContact O-N 3.18Å; L299-I301 PolarHBondContact O-N 3.3Å; I301-S303 VanDerWaalsContact C-N 3.33Å; I301-S303 PolarHBondContact O-N 3.18Å; I301-G304 PolarHBondContact O-N 3.09Å; I301-M305 WeakPolarHBondContact O-CB 3.4Å; I301-M305 WeakPolarHBondContact O-CG 3.2Å; I301-M305 PolarHBondContact O-N 3.48Å; I301-L320 HydrophobicContact CG2-CD1 4.09Å; I301-L320 HydrophobicContact CG2-CD2 4.3Å; I301-I325 HydrophobicContact CD1-CD1 4.44Å; I301-I325 HydrophobicContact CD1-CG1 4.03Å; I301-I325 HydrophobicContact CD1-CG2 4.13Å; I301-I325 HydrophobicContact CG1-CD1 4.02Å; I301-I325 HydrophobicContact CG1-CG1 4.15Å; I301-I325 HydrophobicContact CG1-CG2 4.14Å; I301-I325 HydrophobicContact CG2-CD1 4.28Å; I301-A333 HydrophobicContact CD1-CB 4.49Å; I301-A333 HydrophobicContact CG1-CB 4.02Å; I301-F378 HydrophobicContact CB-CE2 4.35Å; I301-F378 HydrophobicContact CG2-CD2 3.92Å; I301-F378 HydrophobicContact CG2-CE2 4.26Å; I301-L381 HydrophobicContact CD1-CD1 4.41Å; I301-L381 HydrophobicContact CG2-CD1 4.24Å
302A97.3Very high89.2Confident0 Ų029 Ų290%015%0.152CC..Hα-helixtrans-62.9-40.1179.100000112A298 L299 M305 A306 F378 F439 I442 V443 L446A298-A302 VanDerWaalsContact O-CB 3.23Å; A298-A302 WeakPolarHBondContact O-CB 3.42Å; A298-A302 PolarHBondContact O-N 2.83Å; L299-A302 PolarHBondContact O-N 2.81Å; A302-M305 PolarHBondContact O-N 3.36Å; A302-A306 WeakPolarHBondContact O-CB 3.26Å; A302-A306 PolarHBondContact O-N 2.79Å; A302-F378 HydrophobicContact CB-CE2 3.96Å; A302-F378 HydrophobicContact CB-CZ 4.05Å; A302-F439 HydrophobicContact CB-CD1 4Å; A302-F439 HydrophobicContact CB-CE1 4.46Å; A302-I442 HydrophobicContact CB-CD1 4.14Å; A302-V443 HydrophobicContact CB-CG2 3.91Å; A302-L446 HydrophobicContact CB-CD1 3.62Å
303S89.1Confident88.3Confident25 Ų2529.3 Ų29.318%0.17516%0.162CC..Hα-helixtrans-66.4-45.6177.7-57.60000111.2L299 D300 I301 M305 A306 F307L299-S303 WeakPolarHBondContact O-CB 3.44Å; L299-S303 PolarHBondContact O-N 3.27Å; L299-S303 PolarHBondContact O-OG 3.06Å; D300-S303 PolarHBondContact O-N 2.89Å; I301-S303 VanDerWaalsContact C-N 3.33Å; I301-S303 PolarHBondContact O-N 3.18Å; S303-M305 PolarHBondContact O-N 3.42Å; S303-A306 PolarHBondContact O-N 3.06Å; S303-F307 PolarHBondContact O-N 3.38Å; S303-F307 VanDerWaalsContact O-N 3.13Å
304G86.7Confident87.7Confident0 Ų030 Ų300%017%0.166CC..Hα-helixtrans-57.8-46.9173.300000112.2D300 I301 F307 L308D300-G304 PolarHBondContact O-N 3.14Å; I301-G304 PolarHBondContact O-N 3.09Å; G304-F307 PolarHBondContact O-N 2.98Å; G304-L308 WeakPolarHBondContact O-CG 3.3Å; G304-L308 PolarHBondContact O-N 3.21Å
305M95.4Very high87.4Confident1 Ų131 Ų311%0.00517%0.17CC..Hα-helixtrans-68.3-37.1178.6-74.4-56.7-53.900113.2I301 A302 S303 F307 L308 H309 H318 L320 I335 D374 F439I301-M305 WeakPolarHBondContact O-CB 3.4Å; I301-M305 WeakPolarHBondContact O-CG 3.2Å; I301-M305 PolarHBondContact O-N 3.48Å; A302-M305 PolarHBondContact O-N 3.36Å; S303-M305 PolarHBondContact O-N 3.42Å; M305-F307 VanDerWaalsContact C-N 3.26Å; M305-F307 PolarHBondContact O-N 2.91Å; M305-L308 PolarHBondContact O-N 2.89Å; M305-L308 HydrophobicContact SD-CD1 4.06Å; M305-H309 VanDerWaalsContact CE-NE2 3.31Å; M305-H309 WeakPolarHBondContact CE-NE2 3.24Å; M305-H309 VanDerWaalsContact O-CB 3.25Å; M305-H309 WeakPolarHBondContact O-CB 3.45Å; M305-H309 PolarHBondContact O-CD2 2.83Å; M305-H309 PolarHBondContact O-N 3.29Å; M305-H318 PolarHBondContact SD-CE1 3.07Å; M305-L320 HydrophobicContact CG-CD1 4.4Å; M305-L320 HydrophobicContact CG-CD2 3.92Å; M305-L320 HydrophobicContact SD-CD1 4.19Å; M305-L320 HydrophobicContact SD-CD2 4.21Å; M305-I335 HydrophobicContact CB-CD1 4.49Å; M305-I335 HydrophobicContact CG-CD1 3.72Å; M305-I335 HydrophobicContact SD-CD1 3.74Å; M305-D374 HydrophobicContact CE-CB 3.86Å; M305-D374 WeakPolarHBondContact CE-OD2 3.33Å; M305-F439 HydrophobicContact CB-CD1 3.75Å; M305-F439 HydrophobicContact CB-CD2 3.67Å; M305-F439 HydrophobicContact CB-CE1 3.65Å; M305-F439 HydrophobicContact CB-CE2 3.56Å; M305-F439 HydrophobicContact CB-CG 3.77Å; M305-F439 HydrophobicContact CB-CZ 3.55Å; M305-F439 HydrophobicContact CE-CE2 4.11Å; M305-F439 HydrophobicContact CG-CE1 4.09Å; M305-F439 HydrophobicContact CG-CE2 4.12Å; M305-F439 HydrophobicContact CG-CZ 3.8Å
306A86.9Confident86.9Confident22 Ų2233.3 Ų33.318%0.18219%0.186CC..Hα-helixtrans-55-46.5173.500000110.5A302 S303 H309 T310 F439 V443A302-A306 WeakPolarHBondContact O-CB 3.26Å; A302-A306 PolarHBondContact O-N 2.79Å; S303-A306 PolarHBondContact O-N 3.06Å; A306-H309 PolarHBondContact O-N 3.48Å; A306-T310 WeakPolarHBondContact O-CG2 3.43Å; A306-T310 PolarHBondContact O-N 3.37Å; A306-F439 HydrophobicContact CB-CB 3.72Å; A306-V443 HydrophobicContact CB-CG2 4.41Å
307F83.9Confident86.5Confident36 Ų3635.6 Ų35.616%0.15819%0.193CC..Hα-helixtrans-66.5-47175.5171.4-98.5000112.9I244 S246 H247 V250 S303 G304 M305 H309 T310 L311I244-F307 HydrophobicContact CG2-CE1 3.61Å; I244-F307 HydrophobicContact CG2-CZ 4.21Å; S246-F307 VanDerWaalsContact OG-CZ 3.23Å; S246-F307 WeakPolarHBondContact OG-CZ 3.45Å; H247-F307 HydrophobicContact CB-CD1 3.51Å; H247-F307 HydrophobicContact CB-CD2 4.46Å; H247-F307 HydrophobicContact CB-CE1 3.79Å; H247-F307 HydrophobicContact CB-CG 3.88Å; H247-F307 HydrophobicContact CB-CZ 4.39Å; H247-F307 WeakPolarHBondContact CD2-CB 3.44Å; H247-F307 AromaticContact CD2-CD2 3.98Å; H247-F307 AromaticContact CD2-CG 3.49Å; H247-F307 VanDerWaalsContact CD2-CG 3.49Å; H247-F307 WeakPolarHBondContact CD2-CG 3.33Å; H247-F307 AromaticContact CG-CD1 3.81Å; H247-F307 AromaticContact CG-CG 3.79Å; V250-F307 HydrophobicContact CG2-CD1 4.22Å; S303-F307 PolarHBondContact O-N 3.38Å; S303-F307 VanDerWaalsContact O-N 3.13Å; G304-F307 PolarHBondContact O-N 2.98Å; M305-F307 VanDerWaalsContact C-N 3.26Å; M305-F307 PolarHBondContact O-N 2.91Å; F307-H309 PolarHBondContact O-N 3.21Å; F307-H309 VanDerWaalsContact O-N 3.15Å; F307-T310 PolarHBondContact O-N 3.47Å; F307-T310 PolarHBondContact O-OG1 3.37Å; F307-L311 HydrophobicContact CE1-CD2 4.37Å; F307-L311 HydrophobicContact CZ-CD2 4.07Å
308L83.7Confident86.2Confident5 Ų536.6 Ų36.63%0.02620%0.198CC..Hα-helixtrans-60.6-29.1178.4-67-178.7000112.3I244 V250 G304 M305 T310 L311 I315 I335 M337I244-L308 HydrophobicContact CD1-CD2 4.11Å; V250-L308 HydrophobicContact CG1-CD2 4.5Å; V250-L308 HydrophobicContact CG2-CD1 4.47Å; V250-L308 HydrophobicContact CG2-CD2 3.9Å; V250-L308 HydrophobicContact CG2-CG 4.12Å; G304-L308 WeakPolarHBondContact O-CG 3.3Å; G304-L308 PolarHBondContact O-N 3.21Å; M305-L308 PolarHBondContact O-N 2.89Å; M305-L308 HydrophobicContact SD-CD1 4.06Å; L308-T310 VanDerWaalsContact C-N 3.31Å; L308-L311 HydrophobicContact CD2-CD1 3.83Å; L308-L311 WeakPolarHBondContact O-CB 3.34Å; L308-L311 PolarHBondContact O-N 2.85Å; L308-I315 HydrophobicContact CD2-CD1 3.75Å; L308-I335 HydrophobicContact CD1-CD1 4.01Å; L308-I335 HydrophobicContact CD1-CG2 4.16Å; L308-M337 HydrophobicContact CD1-CE 3.72Å; L308-M337 HydrophobicContact CD2-CE 4.47Å; L308-M337 HydrophobicContact CD2-SD 4.29Å
309H86.8Confident86Confident8 Ų840.3 Ų40.34%0.03722%0.215CC..THydrogen-bonded Turntrans-74.3-14.8174.2-82.6-157.3000113.5M305 A306 F307 L311 M314 R371 D374 F439M305-H309 VanDerWaalsContact CE-NE2 3.31Å; M305-H309 WeakPolarHBondContact CE-NE2 3.24Å; M305-H309 VanDerWaalsContact O-CB 3.25Å; M305-H309 WeakPolarHBondContact O-CB 3.45Å; M305-H309 PolarHBondContact O-CD2 2.83Å; M305-H309 PolarHBondContact O-N 3.29Å; A306-H309 PolarHBondContact O-N 3.48Å; F307-H309 PolarHBondContact O-N 3.21Å; F307-H309 VanDerWaalsContact O-N 3.15Å; H309-L311 VanDerWaalsContact C-N 3.33Å; H309-M314 WeakPolarHBondContact CD2-CE 3.31Å; H309-R371 VanDerWaalsContact CE1-CA 3.46Å; H309-R371 WeakPolarHBondContact CE1-CA 3.25Å; H309-R371 PolarHBondContact O-NH1 2.86Å; H309-R371 PolarHBondContact O-NH2 2.87Å; H309-D374 IonicContact CD2-OD2 3.24Å; H309-D374 IonicContact CE1-OD2 3.57Å; H309-D374 IonicContact NE2-OD2 2.78Å; H309-D374 PolarHBondContact NE2-OD2 2.99Å; H309-F439 AromaticContact CE1-CD2 3.48Å; H309-F439 VanDerWaalsContact CE1-CD2 3.48Å; H309-F439 WeakPolarHBondContact CE1-CD2 3.48Å; H309-F439 AromaticContact CE1-CE2 3.52Å; H309-F439 AromaticContact ND1-CD2 3.59Å
310T78.6Confident86Confident89 Ų8939.7 Ų39.755%0.54621%0.212SC..THydrogen-bonded Turntrans-83.7-10.7171.769.90000112.9A306 F307 L308A306-T310 WeakPolarHBondContact O-CG2 3.43Å; A306-T310 PolarHBondContact O-N 3.37Å; F307-T310 PolarHBondContact O-N 3.47Å; F307-T310 PolarHBondContact O-OG1 3.37Å; L308-T310 VanDerWaalsContact C-N 3.31Å
311L71.8Confident86.1Confident33 Ų3339.5 Ų39.517%0.17321%0.211CC..  trans-71.3133.9-179.6-57.6176.3000111.2I244 F307 L308 H309 P313 M314 I315I244-L311 HydrophobicContact CD1-CD1 3.76Å; F307-L311 HydrophobicContact CE1-CD2 4.37Å; F307-L311 HydrophobicContact CZ-CD2 4.07Å; L308-L311 HydrophobicContact CD2-CD1 3.83Å; L308-L311 WeakPolarHBondContact O-CB 3.34Å; L308-L311 PolarHBondContact O-N 2.85Å; H309-L311 VanDerWaalsContact C-N 3.33Å; L311-P313 CarbonylContact O-C 3.39Å; L311-M314 PolarHBondContact O-N 2.96Å; L311-I315 HydrophobicContact CD1-CD1 3.92Å; L311-I315 HydrophobicContact CD1-CG1 4.04Å
312E67.8Low86Confident148 Ų14839.5 Ų39.569%0.69221%0.211SC*.SBendtrans-124.7114.3174.9-71.1-171.6172.800110.2
313P71.3Confident85.9Confident121 Ų12143.7 Ų43.779%0.78623%0.229SC*.SBendcis-72.4153.7-2.831.3-35.2000113L311L311-P313 CarbonylContact O-C 3.39Å
314M81.3Confident86.1Confident44 Ų4442.7 Ų42.722%0.21722%0.222CC..PPolyproline II helixtrans-61147.3172.9-74.5-173.469.200111.1H309 L311 P316 R371H309-M314 WeakPolarHBondContact CD2-CE 3.31Å; L311-M314 PolarHBondContact O-N 2.96Å; M314-P316 WeakPolarHBondContact O-CD 3.42Å; M314-P316 VanDerWaalsContact O-N 3.16Å; M314-R371 HydrophobicContact CE-CG 4.04Å; M314-R371 HydrophobicContact SD-CG 3.88Å
315I86.6Confident86.6Confident25 Ų2542.7 Ų42.713%0.12822%0.222CC..PPolyproline II helixtrans-60.8117.6178.6-58.5174.6000109.7L242 I244 L308 L311 H318 M337 V340L242-I315 HydrophobicContact CD2-CG2 3.89Å; I244-I315 HydrophobicContact CD1-CD1 3.46Å; I244-I315 VanDerWaalsContact CD1-CD1 3.46Å; I244-I315 HydrophobicContact CD1-CG1 4.36Å; L308-I315 HydrophobicContact CD2-CD1 3.75Å; L311-I315 HydrophobicContact CD1-CD1 3.92Å; L311-I315 HydrophobicContact CD1-CG1 4.04Å; I315-H318 HydrophobicContact CG2-CB 4.18Å; I315-M337 HydrophobicContact CD1-SD 3.72Å; I315-V340 HydrophobicContact CG2-CG1 3.81Å; I315-V340 HydrophobicContact CG2-CG2 4.08Å
316P82.9Confident86.6Confident59 Ų5944.3 Ų44.338%0.38323%0.23SC..THydrogen-bonded Turntrans-72.9149.4178.630.4-33.9000110.7M314 H318 V340M314-P316 WeakPolarHBondContact O-CD 3.42Å; M314-P316 VanDerWaalsContact O-N 3.16Å; P316-H318 PolarHBondContact O-N 2.92Å; P316-H318 VanDerWaalsContact O-N 3.1Å; P316-V340 WeakPolarHBondContact O-CG1 3.24Å
317R86.6Confident86.9Confident97 Ų9743.2 Ų43.237%0.36622%0.221SC..THydrogen-bonded Turntrans53.830.8174-62.3176.6-75.7-104.4-10.8114.7E238 K341 S343E238-R317 IonicContact OE2-NH2 3.64Å; E238-R317 PolarHBondContact OE2-NH2 2.96Å; R317-K341 HydrophobicContact CB-CB 4.25Å; R317-K341 WeakPolarHBondContact CB-O 3.49Å; R317-K341 PolarHBondContact NE-O 3.45Å; R317-K341 PolarHBondContact O-N 3.17Å; R317-S343 VanDerWaalsContact NH1-CA 3.28Å
318H91.1Very high87Confident20 Ų2042.8 Ų42.89%0.09322%0.221CC..  trans-79.2124.3163.2176.6-94.2000108.6M305 I315 P316 I335 V340M305-H318 PolarHBondContact SD-CE1 3.07Å; I315-H318 HydrophobicContact CG2-CB 4.18Å; P316-H318 PolarHBondContact O-N 2.92Å; P316-H318 VanDerWaalsContact O-N 3.1Å; H318-I335 VanDerWaalsContact NE2-CG2 3.26Å; H318-I335 WeakPolarHBondContact NE2-CG2 3.11Å; H318-V340 HydrophobicContact CB-CG2 4.27Å
319H91.3Very high87Confident79 Ų7949.5 Ų49.537%0.36625%0.252SS..  trans-122.8104.2178.7-64.5-62.3000109N321H319-N321 PolarHBondContact O-N 3.45Å; H319-N321 PolarHBondContact O-ND2 3.36Å
320L95.4Very high86.7Confident2 Ų253 Ų531%0.0127%0.27CS..  trans-71.4123.4-177.9-175.765.7000110.7I301 M305 I325 S377 F378 L381I301-L320 HydrophobicContact CG2-CD1 4.09Å; I301-L320 HydrophobicContact CG2-CD2 4.3Å; M305-L320 HydrophobicContact CG-CD1 4.4Å; M305-L320 HydrophobicContact CG-CD2 3.92Å; M305-L320 HydrophobicContact SD-CD1 4.19Å; M305-L320 HydrophobicContact SD-CD2 4.21Å; L320-I325 HydrophobicContact CD1-CD1 3.75Å; L320-I325 HydrophobicContact CD1-CG1 4.46Å; L320-S377 WeakPolarHBondContact O-CB 3.49Å; L320-F378 HydrophobicContact CD2-CB 3.98Å; L320-L381 HydrophobicContact CD1-CD1 3.91Å; L320-L381 HydrophobicContact CD2-CD1 4Å; L320-L381 HydrophobicContact CG-CD1 3.6Å
321N96.1Very high87Confident15 Ų1551 Ų518%0.0826%0.257CS..  trans-160.4172.2174.159.175000110.2H319 K323 S324 I325 W355H319-N321 PolarHBondContact O-N 3.45Å; H319-N321 PolarHBondContact O-ND2 3.36Å; N321-K323 PolarHBondContact O-N 3Å; N321-K323 WeakPolarHBondContact OD1-CA 3.3Å; N321-K323 VanDerWaalsContact OD1-CB 3.25Å; N321-K323 WeakPolarHBondContact OD1-CB 3.46Å; N321-K323 PolarHBondContact OD1-N 3.32Å; N321-S324 PolarHBondContact N-OG 3.28Å; N321-S324 PolarHBondContact O-N 2.98Å; N321-S324 VanDerWaalsContact O-N 3.13Å; N321-S324 PolarHBondContact O-OG 3.38Å; N321-S324 PolarHBondContact OD1-N 3.35Å; N321-S324 VanDerWaalsContact OD1-N 3.12Å; N321-I325 PolarHBondContact O-N 2.87Å; N321-W355 HydrophobicContact CB-CB 4.05Å; N321-W355 HydrophobicContact CB-CD2 3.67Å; N321-W355 HydrophobicContact CB-CE3 4.02Å; N321-W355 HydrophobicContact CB-CG 3.67Å
322S96.3Very high87.7Confident0 Ų050.5 Ų50.50%026%0.255CS..THydrogen-bonded Turntrans-69.8-16.9-175.252.10000113.8L277 Y278 W355 L381 E384L277-S322 WeakPolarHBondContact CB-O 3.47Å; L277-S322 PolarHBondContact N-O 2.93Å; Y278-S322 WeakPolarHBondContact CD2-OG 3.35Å; Y278-S322 PolarHBondContact N-O 3.11Å; S322-W355 WeakPolarHBondContact OG-CZ2 3.23Å; S322-L381 VanDerWaalsContact N-CD2 3.27Å; S322-E384 VanDerWaalsContact CB-OE1 3.24Å; S322-E384 WeakPolarHBondContact CB-OE1 3.45Å; S322-E384 VanDerWaalsContact CB-OE2 3.22Å; S322-E384 WeakPolarHBondContact CB-OE2 3.5Å; S322-E384 VanDerWaalsContact OG-CD 3.23Å; S322-E384 PolarHBondContact OG-OE1 2.95Å; S322-E384 PolarHBondContact OG-OE2 3.38Å
323K94Very high88.9Confident88 Ų8843.5 Ų43.538%0.38322%0.222SC..THydrogen-bonded Turntrans-80.3-23.8174.7-54.7175.9-178.9175.50112.4Y278 N321Y278-K323 HydrophobicContact CD2-CG 4.06Å; Y278-K323 HydrophobicContact CG-CG 3.89Å; N321-K323 PolarHBondContact O-N 3Å; N321-K323 WeakPolarHBondContact OD1-CA 3.3Å; N321-K323 VanDerWaalsContact OD1-CB 3.25Å; N321-K323 WeakPolarHBondContact OD1-CB 3.46Å; N321-K323 PolarHBondContact OD1-N 3.32Å
324S94.3Very high90Very high5 Ų539.6 Ų39.64%0.03519%0.192CC..THydrogen-bonded Turntrans-92.1-5.4177.467.40000113.8N321 S336N321-S324 PolarHBondContact N-OG 3.28Å; N321-S324 PolarHBondContact O-N 2.98Å; N321-S324 VanDerWaalsContact O-N 3.13Å; N321-S324 PolarHBondContact O-OG 3.38Å; N321-S324 PolarHBondContact OD1-N 3.35Å; N321-S324 VanDerWaalsContact OD1-N 3.12Å; S324-S336 VanDerWaalsContact O-CB 3.23Å; S324-S336 WeakPolarHBondContact O-CB 3.42Å; S324-S336 PolarHBondContact O-N 3.15Å
325I97.3Very high90.7Very high0 Ų037.6 Ų37.60%018%0.182CC..EExtended strand (participates in β ladder)trans-94.6126172.5-58.9-51.9000108.3S276 L277 I301 L320 N321 I327 A333 I335 L381S276-I325 CarbonylContact C-O 3.57Å; S276-I325 WeakPolarHBondContact CA-O 3.21Å; L277-I325 HydrophobicContact CB-CB 3.9Å; L277-I325 HydrophobicContact CB-CG2 3.96Å; L277-I325 HydrophobicContact CD2-CB 4.35Å; L277-I325 HydrophobicContact CD2-CG2 4.27Å; L277-I325 PolarHBondContact N-O 2.81Å; I301-I325 HydrophobicContact CD1-CD1 4.44Å; I301-I325 HydrophobicContact CD1-CG1 4.03Å; I301-I325 HydrophobicContact CD1-CG2 4.13Å; I301-I325 HydrophobicContact CG1-CD1 4.02Å; I301-I325 HydrophobicContact CG1-CG1 4.15Å; I301-I325 HydrophobicContact CG1-CG2 4.14Å; I301-I325 HydrophobicContact CG2-CD1 4.28Å; L320-I325 HydrophobicContact CD1-CD1 3.75Å; L320-I325 HydrophobicContact CD1-CG1 4.46Å; N321-I325 PolarHBondContact O-N 2.87Å; I325-I327 HydrophobicContact CG2-CD1 4.08Å; I325-A333 HydrophobicContact CG2-CB 3.8Å; I325-I335 HydrophobicContact CD1-CB 4.18Å; I325-I335 HydrophobicContact CD1-CG1 3.69Å; I325-I335 HydrophobicContact CD1-CG2 4.33Å; I325-L381 HydrophobicContact CG1-CD1 4.37Å
326M95.2Very high91.2Very high34 Ų3436.5 Ų36.517%0.16718%0.176CC..EExtended strand (participates in β ladder)trans-106.2139.6176.4-57.8-59-64.600110L251 M272 G275 R334L251-M326 HydrophobicContact CD2-CB 3.96Å; L251-M326 HydrophobicContact CD2-CG 3.73Å; M272-M326 HydrophobicContact CB-CB 4.13Å; M272-M326 HydrophobicContact CB-CE 3.67Å; M272-M326 HydrophobicContact CG-CB 3.72Å; M272-M326 HydrophobicContact CG-CE 4.08Å; M272-M326 HydrophobicContact CG-CG 4.28Å; M272-M326 HydrophobicContact SD-CB 4.24Å; G275-M326 VanDerWaalsContact C-CE 3.48Å; G275-M326 WeakPolarHBondContact O-CA 3.28Å; M326-R334 PolarHBondContact N-O 3.38Å; M326-R334 PolarHBondContact O-N 3.44Å
327I92.9Very high91.7Very high0 Ų033.7 Ų33.70%016%0.158CC..EExtended strand (participates in β ladder)trans-103.1126.9178.3-53.6-52.2000108.9C274 G275 L277 V280 F287 F297 I325 L331 A333C274-I327 HydrophobicContact CB-CB 3.85Å; C274-I327 HydrophobicContact CB-CG2 3.93Å; C274-I327 WeakPolarHBondContact CB-O 3.23Å; G275-I327 PolarHBondContact O-N 3.25Å; L277-I327 HydrophobicContact CB-CD1 4.23Å; L277-I327 HydrophobicContact CB-CG1 4.34Å; L277-I327 HydrophobicContact CD1-CD1 4.18Å; L277-I327 HydrophobicContact CD1-CG1 4.41Å; V280-I327 HydrophobicContact CG2-CB 4.3Å; V280-I327 HydrophobicContact CG2-CG1 4Å; F287-I327 HydrophobicContact CZ-CG2 4.19Å; F297-I327 HydrophobicContact CD1-CD1 4.11Å; F297-I327 HydrophobicContact CE1-CD1 3.75Å; F297-I327 HydrophobicContact CE1-CG2 4.02Å; F297-I327 HydrophobicContact CE2-CD1 4.35Å; F297-I327 HydrophobicContact CZ-CD1 3.91Å; F297-I327 HydrophobicContact CZ-CG1 4.26Å; F297-I327 HydrophobicContact CZ-CG2 3.84Å; I325-I327 HydrophobicContact CG2-CD1 4.08Å; I327-L331 HydrophobicContact CG2-CD2 4.39Å; I327-A333 HydrophobicContact CD1-CB 3.74Å
328D86.3Confident92Very high27 Ų2729.4 Ų29.414%0.14414%0.143CC..  trans-85.6167.5178-157.3-9.9000111M272 D330 L331 T332 R334M272-D328 HydrophobicContact SD-CB 4.3Å; D328-D330 WeakPolarHBondContact CB-OD1 3.07Å; D328-D330 PolarHBondContact O-N 2.9Å; D328-L331 PolarHBondContact O-N 3Å; D328-T332 PolarHBondContact N-O 3.02Å; D328-R334 IonicContact OD2-CZ 2.68Å; D328-R334 VanDerWaalsContact OD2-CZ 3.24Å; D328-R334 IonicContact OD2-NE 2.73Å; D328-R334 PolarHBondContact OD2-NE 3.19Å; D328-R334 IonicContact OD2-NH2 2.66Å; D328-R334 PolarHBondContact OD2-NH2 3.2Å
329E82.9Confident92Very high145 Ų14530.7 Ų30.768%0.67815%0.151SC*.THydrogen-bonded Turntrans-60.4-27.6-179.2-65.7-174.7164.400112.9P273 L331P273-E329 HydrophobicContact CB-CG 4.16Å; P273-E329 HydrophobicContact CG-CG 3.63Å; P273-E329 WeakPolarHBondContact CG-OE1 3.39Å; E329-L331 PolarHBondContact O-N 2.91Å
330D80Confident92Very high81 Ų8127.3 Ų27.343%0.43314%0.136SC..THydrogen-bonded Turntrans-86.412.3177.969.2-3000113.6K296 D328 T332K296-D330 PolarHBondContact NZ-O 3.4Å; D328-D330 WeakPolarHBondContact CB-OD1 3.07Å; D328-D330 PolarHBondContact O-N 2.9Å; D330-T332 PolarHBondContact O-N 3.04Å; D330-T332 WeakPolarHBondContact OD1-CB 3.4Å; D330-T332 PolarHBondContact OD1-N 2.84Å; D330-T332 VanDerWaalsContact OD1-N 3.09Å; D330-T332 PolarHBondContact OD1-OG1 3.45Å; D330-T332 PolarHBondContact OD2-OG1 3.35Å
331L85.4Confident91.9Very high49 Ų4930.1 Ų30.126%0.25715%0.148SC..SBendtrans57.138.9-177.1-52.8178.1000112.2F287 Q293 K296 F297 I327 D328 E329F287-L331 HydrophobicContact CD1-CD2 4.21Å; F287-L331 HydrophobicContact CD2-CD2 3.9Å; F287-L331 HydrophobicContact CE1-CD2 3.86Å; F287-L331 HydrophobicContact CE2-CD2 3.49Å; F287-L331 VanDerWaalsContact CE2-CD2 3.49Å; F287-L331 HydrophobicContact CG-CD2 4.24Å; F287-L331 HydrophobicContact CZ-CD2 3.48Å; F287-L331 VanDerWaalsContact CZ-CD2 3.48Å; Q293-L331 PolarHBondContact NE2-O 2.89Å; Q293-L331 VanDerWaalsContact NE2-O 3.12Å; K296-L331 WeakPolarHBondContact CE-O 3.25Å; K296-L331 PolarHBondContact NZ-O 3.37Å; F297-L331 HydrophobicContact CE1-CB 4.37Å; F297-L331 WeakPolarHBondContact CE1-O 3.38Å; F297-L331 HydrophobicContact CZ-CB 4.48Å; I327-L331 HydrophobicContact CG2-CD2 4.39Å; D328-L331 PolarHBondContact O-N 3Å; E329-L331 PolarHBondContact O-N 2.91Å
332T86.8Confident91.6Very high21 Ų2129.5 Ų29.513%0.12915%0.145CC..  trans-95.9131.6168-54.80000109.6D300 D328 D330 R334D300-T332 WeakPolarHBondContact OD2-CA 3.34Å; D328-T332 PolarHBondContact N-O 3.02Å; D330-T332 PolarHBondContact O-N 3.04Å; D330-T332 WeakPolarHBondContact OD1-CB 3.4Å; D330-T332 PolarHBondContact OD1-N 2.84Å; D330-T332 VanDerWaalsContact OD1-N 3.09Å; D330-T332 PolarHBondContact OD1-OG1 3.45Å; D330-T332 PolarHBondContact OD2-OG1 3.35Å; T332-R334 HydrophobicContact CG2-CG 4.48Å
333A93Very high91.4Very high1 Ų131.6 Ų31.61%0.00816%0.159CC..EExtended strand (participates in β ladder)trans-83.9131.9172.600000110.8N249 F297 D300 I301 I325 I327N249-A333 PolarHBondContact ND2-O 2.98Å; F297-A333 HydrophobicContact CB-CB 4.33Å; F297-A333 HydrophobicContact CD1-CB 3.75Å; F297-A333 HydrophobicContact CE1-CB 4.44Å; F297-A333 HydrophobicContact CG-CB 4.33Å; D300-A333 HydrophobicContact CB-CB 3.79Å; D300-A333 PolarHBondContact OD2-N 2.98Å; I301-A333 HydrophobicContact CD1-CB 4.49Å; I301-A333 HydrophobicContact CG1-CB 4.02Å; I325-A333 HydrophobicContact CG2-CB 3.8Å; I327-A333 HydrophobicContact CD1-CB 3.74Å
334R94.4Very high91.1Very high40 Ų4028.5 Ų28.515%0.15115%0.146CC..EExtended strand (participates in β ladder)trans-127.4133179.1-55-176.5-174-103.65.4111.2P248 N249 L251 M326 D328 T332 S336P248-R334 PolarHBondContact O-NH1 2.96Å; N249-R334 CarbonylContact O-C 3.6Å; N249-R334 WeakPolarHBondContact O-CA 3.23Å; L251-R334 HydrophobicContact CB-CB 3.8Å; M326-R334 PolarHBondContact N-O 3.38Å; M326-R334 PolarHBondContact O-N 3.44Å; D328-R334 IonicContact OD2-CZ 2.68Å; D328-R334 VanDerWaalsContact OD2-CZ 3.24Å; D328-R334 IonicContact OD2-NE 2.73Å; D328-R334 PolarHBondContact OD2-NE 3.19Å; D328-R334 IonicContact OD2-NH2 2.66Å; D328-R334 PolarHBondContact OD2-NH2 3.2Å; T332-R334 HydrophobicContact CG2-CG 4.48Å; R334-S336 PolarHBondContact O-N 2.97Å
335I96.8Very high90.7Very high1 Ų129 Ų291%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-79.2116.8177.5-53.3167.6000109N249 L251 M305 L308 H318 I325 M337N249-I335 PolarHBondContact O-N 3.48Å; L251-I335 PolarHBondContact N-O 2.85Å; M305-I335 HydrophobicContact CB-CD1 4.49Å; M305-I335 HydrophobicContact CG-CD1 3.72Å; M305-I335 HydrophobicContact SD-CD1 3.74Å; L308-I335 HydrophobicContact CD1-CD1 4.01Å; L308-I335 HydrophobicContact CD1-CG2 4.16Å; H318-I335 VanDerWaalsContact NE2-CG2 3.26Å; H318-I335 WeakPolarHBondContact NE2-CG2 3.11Å; I325-I335 HydrophobicContact CD1-CB 4.18Å; I325-I335 HydrophobicContact CD1-CG1 3.69Å; I325-I335 HydrophobicContact CD1-CG2 4.33Å; I335-M337 HydrophobicContact CB-CE 4.15Å; I335-M337 HydrophobicContact CG2-CE 3.57Å; I335-M337 PolarHBondContact O-N 2.96Å
336S96Very high89.9Confident2 Ų230.7 Ų30.71%0.01416%0.159CC..EExtended strand (participates in β ladder)trans-75.9114-176.5174.50000112.5S324 R334 A338 D339S324-S336 VanDerWaalsContact O-CB 3.23Å; S324-S336 WeakPolarHBondContact O-CB 3.42Å; S324-S336 PolarHBondContact O-N 3.15Å; R334-S336 PolarHBondContact O-N 2.97Å; S336-A338 PolarHBondContact O-N 3.32Å; S336-A338 PolarHBondContact OG-N 3.12Å; S336-D339 WeakPolarHBondContact CB-OD2 3.43Å; S336-D339 PolarHBondContact O-N 3.12Å; S336-D339 PolarHBondContact OG-OD2 3.18Å
337M93.8Very high89Confident0 Ų034.2 Ų34.20%018%0.184CC..G310 helixtrans-71.8-18.6173.4-62.9-60.696.300112.5L242 I244 V250 L251 M253 L308 I315 I335 D339 V340L242-M337 HydrophobicContact CB-CB 4.13Å; L242-M337 VanDerWaalsContact O-CB 3.31Å; L242-M337 WeakPolarHBondContact O-CB 3.47Å; I244-M337 HydrophobicContact CD1-SD 4.01Å; V250-M337 HydrophobicContact CG1-CE 4.12Å; V250-M337 HydrophobicContact CG1-CG 3.6Å; V250-M337 HydrophobicContact CG1-SD 4.06Å; L251-M337 WeakPolarHBondContact O-CB 3.31Å; L251-M337 PolarHBondContact O-N 2.99Å; M253-M337 HydrophobicContact CG-CB 4.34Å; L308-M337 HydrophobicContact CD1-CE 3.72Å; L308-M337 HydrophobicContact CD2-CE 4.47Å; L308-M337 HydrophobicContact CD2-SD 4.29Å; I315-M337 HydrophobicContact CD1-SD 3.72Å; I335-M337 HydrophobicContact CB-CE 4.15Å; I335-M337 HydrophobicContact CG2-CE 3.57Å; I335-M337 PolarHBondContact O-N 2.96Å; M337-D339 PolarHBondContact O-N 2.86Å; M337-V340 WeakPolarHBondContact O-CB 3.19Å; M337-V340 PolarHBondContact O-N 3.27Å; M337-V340 HydrophobicContact SD-CG2 4.46Å
338A92.1Very high88.1Confident7 Ų738.6 Ų38.66%0.05823%0.23CC..G310 helixtrans-75.7-6.4174.500000114.2K220 M253 I267 T269 S336K220-A338 HydrophobicContact CD-CB 4.21Å; K220-A338 PolarHBondContact NZ-O 3.21Å; M253-A338 HydrophobicContact CG-CB 4.19Å; I267-A338 HydrophobicContact CG2-CB 3.55Å; T269-A338 HydrophobicContact CG2-CB 3.4Å; S336-A338 PolarHBondContact O-N 3.32Å; S336-A338 PolarHBondContact OG-N 3.12Å
339D91.4Very high87.9Confident48 Ų4845.5 Ų45.526%0.25725%0.254SS..G310 helixtrans-97.9-5.4174.7-69.4-62000113.2K220 S336 M337K220-D339 IonicContact NZ-OD1 3.79Å; K220-D339 PolarHBondContact NZ-OD1 2.62Å; K220-D339 IonicContact NZ-OD2 2.88Å; K220-D339 PolarHBondContact NZ-OD2 3.44Å; S336-D339 WeakPolarHBondContact CB-OD2 3.43Å; S336-D339 PolarHBondContact O-N 3.12Å; S336-D339 PolarHBondContact OG-OD2 3.18Å; M337-D339 PolarHBondContact O-N 2.86Å
340V92.7Very high88Confident7 Ų741.8 Ų41.84%0.04224%0.237CC..SBendtrans-63.9135.1169.5179.10000109.7L242 I315 P316 H318 M337L242-V340 HydrophobicContact CD1-CB 4.11Å; L242-V340 HydrophobicContact CD1-CG1 4.31Å; L242-V340 HydrophobicContact CD2-CB 4Å; L242-V340 HydrophobicContact CD2-CG1 3.93Å; L242-V340 HydrophobicContact CD2-CG2 4.07Å; I315-V340 HydrophobicContact CG2-CG1 3.81Å; I315-V340 HydrophobicContact CG2-CG2 4.08Å; P316-V340 WeakPolarHBondContact O-CG1 3.24Å; H318-V340 HydrophobicContact CB-CG2 4.27Å; M337-V340 WeakPolarHBondContact O-CB 3.19Å; M337-V340 PolarHBondContact O-N 3.27Å; M337-V340 HydrophobicContact SD-CG2 4.46Å
341K91.4Very high88.3Confident62 Ų6241.3 Ų41.327%0.2723%0.23SC..PPolyproline II helixtrans-89.3127.3-178.6-59.3-58.8-179.2-169.30111.5R317 Q345R317-K341 HydrophobicContact CB-CB 4.25Å; R317-K341 WeakPolarHBondContact CB-O 3.49Å; R317-K341 PolarHBondContact NE-O 3.45Å; R317-K341 PolarHBondContact O-N 3.17Å; K341-Q345 HydrophobicContact CB-CB 4.35Å; K341-Q345 HydrophobicContact CD-CB 4.48Å
342F91.7Very high88.6Confident2 Ų239.8 Ų39.81%0.00922%0.224CC..PPolyproline II helixtrans-68.6163.4172.8-66.9-99.1000111.8F235 E238 L242 M253 I267 F344 Q345F235-F342 AromaticContact CD2-CD1 3.72Å; F235-F342 HydrophobicContact CD2-CD1 3.72Å; F235-F342 AromaticContact CD2-CE1 3.45Å; F235-F342 HydrophobicContact CD2-CE1 3.45Å; F235-F342 VanDerWaalsContact CD2-CE1 3.45Å; F235-F342 HydrophobicContact CD2-CE2 4.35Å; F235-F342 HydrophobicContact CD2-CG 4.27Å; F235-F342 AromaticContact CD2-CZ 3.8Å; F235-F342 HydrophobicContact CD2-CZ 3.8Å; F235-F342 HydrophobicContact CE2-CD1 4.38Å; F235-F342 AromaticContact CE2-CE1 3.77Å; F235-F342 HydrophobicContact CE2-CE1 3.77Å; F235-F342 HydrophobicContact CE2-CE2 4.1Å; F235-F342 AromaticContact CE2-CZ 3.61Å; F235-F342 HydrophobicContact CE2-CZ 3.61Å; F235-F342 HydrophobicContact CG-CE1 4.4Å; E238-F342 HydrophobicContact CB-CD1 3.62Å; E238-F342 HydrophobicContact CB-CE1 3.83Å; E238-F342 WeakPolarHBondContact OE2-CA 3.34Å; L242-F342 HydrophobicContact CD1-CE1 4.42Å; L242-F342 HydrophobicContact CD1-CE2 4.27Å; L242-F342 HydrophobicContact CD1-CZ 3.9Å; M253-F342 HydrophobicContact CE-CZ 4.44Å; M253-F342 HydrophobicContact SD-CZ 4.5Å; I267-F342 HydrophobicContact CD1-CD2 4.47Å; I267-F342 HydrophobicContact CD1-CE2 3.48Å; I267-F342 VanDerWaalsContact CD1-CE2 3.48Å; I267-F342 HydrophobicContact CD1-CZ 4.04Å; I267-F342 HydrophobicContact CG1-CE2 4.42Å; F342-F344 HydrophobicContact CB-CD1 4.26Å; F342-F344 HydrophobicContact CB-CD2 4.5Å; F342-F344 HydrophobicContact CB-CE1 3.71Å; F342-F344 HydrophobicContact CB-CE2 3.98Å; F342-F344 HydrophobicContact CB-CZ 3.56Å; F342-F344 HydrophobicContact CD1-CE1 4.32Å; F342-F344 HydrophobicContact CD1-CZ 4.19Å; F342-F344 HydrophobicContact CG-CE1 4.31Å; F342-F344 AromaticContact CG-CZ 3.94Å; F342-F344 HydrophobicContact CG-CZ 3.94Å; F342-F344 PolarHBondContact O-N 3.3Å; F342-F344 VanDerWaalsContact O-N 3.16Å; F342-Q345 HydrophobicContact CB-CG 4.06Å; F342-Q345 VanDerWaalsContact CD2-NE2 3.34Å; F342-Q345 WeakPolarHBondContact O-CB 3.37Å; F342-Q345 PolarHBondContact O-N 3.39Å
343S90.1Very high89Confident43 Ų4339 Ų3930%0.30122%0.218SC..THydrogen-bonded Turntrans-56.9-32.8-175.759.70000117.2E238 R317E238-S343 WeakPolarHBondContact OE1-CB 3.12Å; E238-S343 PolarHBondContact OE1-N 3.39Å; E238-S343 PolarHBondContact OE1-OG 3.18Å; E238-S343 PolarHBondContact OE2-N 2.98Å; R317-S343 VanDerWaalsContact NH1-CA 3.28Å
344F88.6Confident89.2Confident23 Ų2339 Ų3910%0.10122%0.219CC..THydrogen-bonded Turntrans-94.2-3.7-179.451.9-97.6000113.1I224 W227 K231 D234 F235 F342I224-F344 HydrophobicContact CD1-CD2 4.12Å; I224-F344 HydrophobicContact CD1-CE2 3.98Å; I224-F344 HydrophobicContact CG1-CD2 4.26Å; I224-F344 HydrophobicContact CG1-CE2 3.98Å; I224-F344 HydrophobicContact CG2-CD2 3.94Å; I224-F344 HydrophobicContact CG2-CE2 4.44Å; W227-F344 HydrophobicContact CH2-CZ 4.39Å; W227-F344 HydrophobicContact CZ3-CD2 4.45Å; W227-F344 AromaticContact CZ3-CE2 3.88Å; W227-F344 HydrophobicContact CZ3-CE2 3.88Å; W227-F344 HydrophobicContact CZ3-CZ 4.01Å; K231-F344 HydrophobicContact CB-CB 4.4Å; K231-F344 HydrophobicContact CB-CD1 4.07Å; K231-F344 HydrophobicContact CB-CG 4.06Å; K231-F344 HydrophobicContact CD-CB 3.91Å; K231-F344 HydrophobicContact CD-CD2 4.48Å; K231-F344 HydrophobicContact CD-CG 4.23Å; K231-F344 HydrophobicContact CG-CB 3.7Å; K231-F344 HydrophobicContact CG-CD1 4.25Å; K231-F344 HydrophobicContact CG-CG 3.91Å; K231-F344 WeakPolarHBondContact O-CE1 3.38Å; D234-F344 HydrophobicContact CB-CD1 4.04Å; D234-F344 HydrophobicContact CB-CE1 4.17Å; F235-F344 HydrophobicContact CB-CE1 3.89Å; F235-F344 HydrophobicContact CB-CZ 3.83Å; F235-F344 AromaticContact CD2-CZ 3.97Å; F235-F344 HydrophobicContact CD2-CZ 3.97Å; F235-F344 HydrophobicContact CG-CZ 4.35Å; F342-F344 HydrophobicContact CB-CD1 4.26Å; F342-F344 HydrophobicContact CB-CD2 4.5Å; F342-F344 HydrophobicContact CB-CE1 3.71Å; F342-F344 HydrophobicContact CB-CE2 3.98Å; F342-F344 HydrophobicContact CB-CZ 3.56Å; F342-F344 HydrophobicContact CD1-CE1 4.32Å; F342-F344 HydrophobicContact CD1-CZ 4.19Å; F342-F344 HydrophobicContact CG-CE1 4.31Å; F342-F344 AromaticContact CG-CZ 3.94Å; F342-F344 HydrophobicContact CG-CZ 3.94Å; F342-F344 PolarHBondContact O-N 3.3Å; F342-F344 VanDerWaalsContact O-N 3.16Å
345Q87Confident89.3Confident16 Ų1637.5 Ų37.58%0.07521%0.213CC..SBendtrans-83.3121.9-177.9-77.7-174.37.300111.6I224 K341 F342I224-Q345 HydrophobicContact CD1-CG 3.65Å; K341-Q345 HydrophobicContact CB-CB 4.35Å; K341-Q345 HydrophobicContact CD-CB 4.48Å; F342-Q345 HydrophobicContact CB-CG 4.06Å; F342-Q345 VanDerWaalsContact CD2-NE2 3.34Å; F342-Q345 WeakPolarHBondContact O-CB 3.37Å; F342-Q345 PolarHBondContact O-N 3.39Å
346C79Confident89.2Confident36 Ų3638 Ų3824%0.24322%0.217CC..SBendtrans44.854.6170-62.90000114.3G348 R349 Y351C346-G348 PolarHBondContact O-N 3.43Å; C346-R349 HydrophobicContact CB-CB 4.3Å; C346-R349 PolarHBondContact O-N 2.77Å; C346-R349 VanDerWaalsContact O-N 3.15Å; C346-Y351 HydrophobicContact CB-CE2 3.79Å; C346-Y351 PolarHBondContact SG-OH 3.1Å
347P77.1Confident89.2Confident107 Ų10738 Ų3870%0.69522%0.216SC*.THydrogen-bonded Turntrans-57.9128.1-175.925.1-34.1000110.7R349P347-R349 VanDerWaalsContact C-N 3.3Å; P347-R349 PolarHBondContact O-N 2.99Å
348G73.1Confident89.3Confident93 Ų9338.2 Ų38.296%0.95922%0.218SC*.THydrogen-bonded Turntrans7310.8177.400000115.9C346C346-G348 PolarHBondContact O-N 3.43Å
349R81.9Confident89.4Confident172 Ų17238.9 Ų38.965%0.64922%0.22SC*.  trans-109.9133.8177.5-61.8-175.9-178.4-169.7-1.5111.6C346 P347 Y351C346-R349 HydrophobicContact CB-CB 4.3Å; C346-R349 PolarHBondContact O-N 2.77Å; C346-R349 VanDerWaalsContact O-N 3.15Å; P347-R349 VanDerWaalsContact C-N 3.3Å; P347-R349 PolarHBondContact O-N 2.99Å; R349-Y351 HydrophobicContact CB-CE2 3.94Å; R349-Y351 WeakPolarHBondContact CD-OH 3.44Å
350M85.5Confident89.5Confident66 Ų6637.8 Ų37.833%0.32522%0.218SC..  trans-116.2116.9174.8-170.561.869.600109.9P353 V356 L361M350-P353 HydrophobicContact CG-CB 4.11Å; M350-V356 HydrophobicContact CE-CG2 4.15Å; M350-V356 HydrophobicContact CG-CG2 4.1Å; M350-V356 HydrophobicContact SD-CG2 3.78Å; M350-L361 HydrophobicContact CG-CD2 4.39Å
351Y86.3Confident89.5Confident71 Ų7139.9 Ų39.928%0.27823%0.228SC..SBendtrans-97.6-11.1-175.9-63.3-78.9000114.2H203 C346 R349 P353 N397H203-Y351 AromaticContact CE1-CE1 3.29Å; H203-Y351 WeakPolarHBondContact CE1-CE1 2.93Å; H203-Y351 AromaticContact CE1-CE2 3.84Å; H203-Y351 AromaticContact CE1-CZ 3.16Å; H203-Y351 PolarHBondContact CE1-OH 2.88Å; H203-Y351 AromaticContact NE2-CD1 3.72Å; H203-Y351 AromaticContact NE2-CE1 3.23Å; H203-Y351 WeakPolarHBondContact NE2-CE1 3.03Å; H203-Y351 AromaticContact NE2-CZ 3.66Å; C346-Y351 HydrophobicContact CB-CE2 3.79Å; C346-Y351 PolarHBondContact SG-OH 3.1Å; R349-Y351 HydrophobicContact CB-CE2 3.94Å; R349-Y351 WeakPolarHBondContact CD-OH 3.44Å; Y351-P353 VanDerWaalsContact C-CD 3.47Å; Y351-N397 PolarHBondContact O-ND2 2.84Å
352S92.4Very high89.5Confident18 Ų1842.3 Ų42.313%0.12624%0.241CC..  trans-133.856.3179.7-58.30000111.1A354 W355S352-A354 PolarHBondContact O-N 3.04Å; S352-W355 PolarHBondContact O-N 3.09Å
353P95.3Very high89.5Confident3 Ų347.7 Ų47.72%0.01926%0.264CS..G310 helixtrans-66.1-19.5-174.325.2-30.3000113.5M350 Y351 W355 V356 L361 N397 I400M350-P353 HydrophobicContact CG-CB 4.11Å; Y351-P353 VanDerWaalsContact C-CD 3.47Å; P353-W355 PolarHBondContact O-N 2.93Å; P353-V356 PolarHBondContact O-N 3.25Å; P353-L361 HydrophobicContact CB-CD2 4.35Å; P353-N397 HydrophobicContact CG-CB 4.04Å; P353-N397 WeakPolarHBondContact CG-O 3.14Å; P353-I400 HydrophobicContact CB-CG2 4.39Å; P353-I400 HydrophobicContact CG-CB 4.29Å; P353-I400 HydrophobicContact CG-CG2 4.16Å
354A96.6Very high89.4Confident3 Ų352 Ų523%0.02528%0.277CS..G310 helixtrans-60-27-178.700000114.1S352 P391 F392 I400S352-A354 PolarHBondContact O-N 3.04Å; A354-P391 HydrophobicContact CB-CB 4.08Å; A354-F392 HydrophobicContact CB-CD2 4.14Å; A354-I400 HydrophobicContact CB-CD1 4.47Å; A354-I400 HydrophobicContact CB-CG2 3.9Å
355W96.6Very high89.3Confident8 Ų854.1 Ų54.13%0.0329%0.293CS..G310 helixtrans-94.8-8.2176.8-63.7-97.9000113Y278 N321 S322 S352 P353 S377 I380 E384 P391Y278-W355 HydrophobicContact CD2-CH2 4.48Å; Y278-W355 HydrophobicContact CE2-CH2 4.37Å; N321-W355 HydrophobicContact CB-CB 4.05Å; N321-W355 HydrophobicContact CB-CD2 3.67Å; N321-W355 HydrophobicContact CB-CE3 4.02Å; N321-W355 HydrophobicContact CB-CG 3.67Å; S322-W355 WeakPolarHBondContact OG-CZ2 3.23Å; S352-W355 PolarHBondContact O-N 3.09Å; P353-W355 PolarHBondContact O-N 2.93Å; W355-S377 WeakPolarHBondContact O-CA 3.43Å; W355-S377 WeakPolarHBondContact O-CB 3.44Å; W355-S377 PolarHBondContact O-OG 3.23Å; W355-S377 VanDerWaalsContact O-OG 3.1Å; W355-I380 HydrophobicContact CB-CG2 4.45Å; W355-I380 VanDerWaalsContact CD1-CG2 3.48Å; W355-I380 HydrophobicContact CG-CB 4.39Å; W355-I380 HydrophobicContact CG-CG2 3.98Å; W355-E384 WeakPolarHBondContact CZ2-OE2 3.38Å; W355-E384 PolarHBondContact NE1-OE2 3.15Å; W355-P391 HydrophobicContact CZ2-CG 4.16Å
356V95.4Very high89.3Confident12 Ų1260.4 Ų60.47%0.07332%0.323CS..SBendtrans-85.1139.1-170.6-175.90000110.7M350 P353 A360 L361M350-V356 HydrophobicContact CE-CG2 4.15Å; M350-V356 HydrophobicContact CG-CG2 4.1Å; M350-V356 HydrophobicContact SD-CG2 3.78Å; P353-V356 PolarHBondContact O-N 3.25Å; V356-A360 HydrophobicContact CG1-CB 3.74Å; V356-L361 HydrophobicContact CB-CD1 4.5Å; V356-L361 HydrophobicContact CB-CD2 3.97Å; V356-L361 HydrophobicContact CB-CG 4.13Å; V356-L361 HydrophobicContact CG1-CD2 3.71Å; V356-L361 HydrophobicContact CG1-CG 3.78Å
357A95.9Very high89.8Confident1 Ų164.4 Ų64.41%0.00834%0.338CS..  trans-61.9143.517600000112E359 A360 L361 A373 W376A357-E359 VanDerWaalsContact C-N 3.26Å; A357-E359 WeakPolarHBondContact CB-OE1 3.33Å; A357-E359 WeakPolarHBondContact CB-OE2 3.49Å; A357-E359 PolarHBondContact O-N 3.03Å; A357-A360 HydrophobicContact CB-CB 4.22Å; A357-A360 WeakPolarHBondContact O-CB 3.43Å; A357-A360 PolarHBondContact O-N 3.36Å; A357-L361 PolarHBondContact O-N 3.04Å; A357-A373 HydrophobicContact CB-CB 3.99Å; A357-W376 VanDerWaalsContact CA-CD1 3.49Å; A357-W376 HydrophobicContact CB-CB 3.72Å; A357-W376 HydrophobicContact CB-CD2 4.26Å; A357-W376 HydrophobicContact CB-CG 3.72Å
358P95.6Very high90.5Very high5 Ų560.9 Ų60.93%0.03231%0.313CS..Hα-helixtrans-55.5-39.7-178-24.231.8000113.4A360 L361 Q362 W376 I404P358-A360 VanDerWaalsContact C-N 3.34Å; P358-L361 PolarHBondContact O-N 2.95Å; P358-Q362 WeakPolarHBondContact O-CG 3.3Å; P358-Q362 PolarHBondContact O-NE2 2.92Å; P358-W376 HydrophobicContact CG-CH2 3.83Å; P358-W376 HydrophobicContact CG-CZ2 3.76Å; P358-W376 HydrophobicContact CG-CZ3 4.4Å; P358-I404 HydrophobicContact CB-CG2 4.27Å; P358-I404 HydrophobicContact CG-CG2 4.05Å
359E94.3Very high91.5Very high20 Ų2060.4 Ų60.49%0.09329%0.288CS..Hα-helixtrans-71-29.7178.772.2-78.2-17600113A357 L361 Q362 K363 I368 P433 R436A357-E359 VanDerWaalsContact C-N 3.26Å; A357-E359 WeakPolarHBondContact CB-OE1 3.33Å; A357-E359 WeakPolarHBondContact CB-OE2 3.49Å; A357-E359 PolarHBondContact O-N 3.03Å; E359-L361 VanDerWaalsContact C-N 3.26Å; E359-L361 PolarHBondContact O-N 3.22Å; E359-Q362 PolarHBondContact O-N 3.5Å; E359-K363 WeakPolarHBondContact O-CB 3.5Å; E359-K363 PolarHBondContact O-N 2.87Å; E359-I368 HydrophobicContact CG-CG2 4.46Å; E359-P433 HydrophobicContact CG-CG 4.01Å; E359-R436 IonicContact OE1-CZ 3.91Å; E359-R436 IonicContact OE1-NH1 2.71Å; E359-R436 PolarHBondContact OE1-NH1 3.19Å; E359-R436 IonicContact OE1-NH2 3.5Å; E359-R436 PolarHBondContact OE1-NH2 3.49Å; E359-R436 IonicContact OE2-CZ 2.73Å; E359-R436 IonicContact OE2-NH1 3.61Å; E359-R436 IonicContact OE2-NH2 3.43Å; E359-R436 PolarHBondContact OE2-NH2 3.34Å
360A93.2Very high92Very high26 Ų2656.3 Ų56.322%0.21527%0.273CS..Hα-helixtrans-75.3-16.4178.200000112.8V356 A357 P358 I368 A373V356-A360 HydrophobicContact CG1-CB 3.74Å; A357-A360 HydrophobicContact CB-CB 4.22Å; A357-A360 WeakPolarHBondContact O-CB 3.43Å; A357-A360 PolarHBondContact O-N 3.36Å; P358-A360 VanDerWaalsContact C-N 3.34Å; A360-I368 HydrophobicContact CB-CD1 3.9Å; A360-A373 HydrophobicContact CB-CB 4.24Å
361L93Very high92.4Very high50 Ų5057.2 Ų57.226%0.26227%0.272SS..Hα-helixtrans-86.1-20.1171.1-65.6174.6000113.1M350 P353 V356 A357 P358 E359 I404 A405M350-L361 HydrophobicContact CG-CD2 4.39Å; P353-L361 HydrophobicContact CB-CD2 4.35Å; V356-L361 HydrophobicContact CB-CD1 4.5Å; V356-L361 HydrophobicContact CB-CD2 3.97Å; V356-L361 HydrophobicContact CB-CG 4.13Å; V356-L361 HydrophobicContact CG1-CD2 3.71Å; V356-L361 HydrophobicContact CG1-CG 3.78Å; A357-L361 PolarHBondContact O-N 3.04Å; P358-L361 PolarHBondContact O-N 2.95Å; E359-L361 VanDerWaalsContact C-N 3.26Å; E359-L361 PolarHBondContact O-N 3.22Å; L361-I404 HydrophobicContact CD1-CB 3.98Å; L361-I404 HydrophobicContact CD1-CG2 3.76Å; L361-A405 HydrophobicContact CB-CB 3.99Å; L361-A405 HydrophobicContact CD1-CB 4.44Å
362Q91.9Very high92.8Very high114 Ų11454.1 Ų54.153%0.53326%0.261SS..Hα-helixtrans-103.7-32.8-173.9-69.4174.866.900113.6P358 E359 A405P358-Q362 WeakPolarHBondContact O-CG 3.3Å; P358-Q362 PolarHBondContact O-NE2 2.92Å; E359-Q362 PolarHBondContact O-N 3.5Å; Q362-A405 VanDerWaalsContact CD-O 3.31Å; Q362-A405 HydrophobicContact CG-CB 3.9Å; Q362-A405 PolarHBondContact NE2-O 2.81Å
363K91.4Very high93Very high115 Ų11553.7 Ų53.750%0.526%0.259SS..SBendtrans-109.6161.8-171.7-63-178.3-179.1-1790111.8E359 E367 I368E359-K363 WeakPolarHBondContact O-CB 3.5Å; E359-K363 PolarHBondContact O-N 2.87Å; K363-E367 HydrophobicContact CB-CB 4.26Å; K363-I368 HydrophobicContact CB-CG2 3.61Å; K363-I368 HydrophobicContact CD-CG2 4.34Å
364K88.1Confident93.1Very high133 Ų13354.4 Ų54.458%0.57826%0.263SS*.  trans-70.8152.9175.2-65.6178.7-178.3169.40111.3E366 E367K364-E366 WeakPolarHBondContact CB-OE2 3.19Å; K364-E366 PolarHBondContact O-N 2.85Å; K364-E367 HydrophobicContact CB-CG 4.39Å; K364-E367 PolarHBondContact O-N 3.01Å
365P85.1Confident93.2Very high68 Ų6854.3 Ų54.344%0.44226%0.261SS..THydrogen-bonded Turntrans-57.6-19.6-179.3-2736.2000116R370P365-R370 PolarHBondContact O-NE 3.02Å; P365-R370 PolarHBondContact O-NH2 3.38Å
366E86.7Confident93.2Very high147 Ų14754.1 Ų54.169%0.68726%0.261SS*.THydrogen-bonded Turntrans-84.1-21.5177.5-58.869.9-144.800112.7K364K364-E366 WeakPolarHBondContact CB-OE2 3.19Å; K364-E366 PolarHBondContact O-N 2.85Å
367E90Very high93.3Very high121 Ų12153.9 Ų53.957%0.56526%0.26SS*.THydrogen-bonded Turntrans-97.6-3.7-175.3-64.5169.3-170.600112.6K363 K364K363-E367 HydrophobicContact CB-CB 4.26Å; K364-E367 HydrophobicContact CB-CG 4.39Å; K364-E367 PolarHBondContact O-N 3.01Å
368I92.7Very high93.4Very high33 Ų3353.9 Ų53.917%0.16926%0.259CS..SBendtrans-105.8143.8-177.463.3173.4000111.9E359 A360 K363 R370E359-I368 HydrophobicContact CG-CG2 4.46Å; A360-I368 HydrophobicContact CB-CD1 3.9Å; K363-I368 HydrophobicContact CB-CG2 3.61Å; K363-I368 HydrophobicContact CD-CG2 4.34Å; I368-R370 HydrophobicContact CD1-CG 4.39Å; I368-R370 HydrophobicContact CG1-CG 4.15Å; I368-R370 PolarHBondContact O-N 3.03Å
369N93.1Very high93.5Very high82 Ų8253.6 Ų53.644%0.43926%0.258SS..  trans-75.595164.3-175.9-19.7000109R371 S372 A373N369-R371 VanDerWaalsContact C-N 3.25Å; N369-R371 PolarHBondContact O-N 2.77Å; N369-R371 PolarHBondContact OD1-N 3.44Å; N369-S372 VanDerWaalsContact CG-OG 3.27Å; N369-S372 PolarHBondContact ND2-OG 3.08Å; N369-S372 VanDerWaalsContact ND2-OG 3.11Å; N369-S372 PolarHBondContact O-N 3.46Å; N369-S372 VanDerWaalsContact O-N 3.16Å; N369-S372 PolarHBondContact OD1-N 2.9Å; N369-A373 PolarHBondContact O-N 3.31Å
370R92.5Very high93.6Very high86 Ų8652.8 Ų52.833%0.32525%0.254SS..Hα-helixtrans-56.2-38.3-178.4-65.7-175-179.81760.6113P365 I368 S372 A373 D374P365-R370 PolarHBondContact O-NE 3.02Å; P365-R370 PolarHBondContact O-NH2 3.38Å; I368-R370 HydrophobicContact CD1-CG 4.39Å; I368-R370 HydrophobicContact CG1-CG 4.15Å; I368-R370 PolarHBondContact O-N 3.03Å; R370-S372 VanDerWaalsContact C-N 3.34Å; R370-S372 PolarHBondContact O-N 3.45Å; R370-A373 PolarHBondContact O-N 2.88Å; R370-D374 PolarHBondContact O-N 3.33Å
371R93.8Very high93.8Very high85 Ų8551.5 Ų51.532%0.32124%0.244SC..Hα-helixtrans-63.9-43.4-179.8-61.9177.5-176.4-105.8-4.1111.2H309 M314 N369 D374 M375H309-R371 VanDerWaalsContact CE1-CA 3.46Å; H309-R371 WeakPolarHBondContact CE1-CA 3.25Å; H309-R371 PolarHBondContact O-NH1 2.86Å; H309-R371 PolarHBondContact O-NH2 2.87Å; M314-R371 HydrophobicContact CE-CG 4.04Å; M314-R371 HydrophobicContact SD-CG 3.88Å; N369-R371 VanDerWaalsContact C-N 3.25Å; N369-R371 PolarHBondContact O-N 2.77Å; N369-R371 PolarHBondContact OD1-N 3.44Å; R371-D374 PolarHBondContact O-N 3.02Å; R371-M375 PolarHBondContact O-N 2.93Å; R371-M375 VanDerWaalsContact O-N 3.08Å
372S96.1Very high94Very high7 Ų749.3 Ų49.35%0.04923%0.232CC..Hα-helixtrans-68.1-34.4175.5-61.80000112.6N369 R370 M375 W376 P433 R436N369-S372 VanDerWaalsContact CG-OG 3.27Å; N369-S372 PolarHBondContact ND2-OG 3.08Å; N369-S372 VanDerWaalsContact ND2-OG 3.11Å; N369-S372 PolarHBondContact O-N 3.46Å; N369-S372 VanDerWaalsContact O-N 3.16Å; N369-S372 PolarHBondContact OD1-N 2.9Å; R370-S372 VanDerWaalsContact C-N 3.34Å; R370-S372 PolarHBondContact O-N 3.45Å; S372-M375 PolarHBondContact O-N 3.37Å; S372-W376 PolarHBondContact O-N 2.97Å; S372-P433 WeakPolarHBondContact CB-O 3.16Å; S372-P433 PolarHBondContact OG-O 3.44Å; S372-R436 VanDerWaalsContact O-CD 3.26Å; S372-R436 WeakPolarHBondContact O-CD 3.04Å; S372-R436 PolarHBondContact O-NH1 2.88Å
373A96.2Very high94.2Very high8 Ų844.2 Ų44.27%0.06621%0.208CC..Hα-helixtrans-68.5-38.2175.100000112.4A357 A360 N369 R370 M375 W376 S377A357-A373 HydrophobicContact CB-CB 3.99Å; A360-A373 HydrophobicContact CB-CB 4.24Å; N369-A373 PolarHBondContact O-N 3.31Å; R370-A373 PolarHBondContact O-N 2.88Å; A373-M375 VanDerWaalsContact C-N 3.34Å; A373-W376 WeakPolarHBondContact O-CB 3.35Å; A373-W376 PolarHBondContact O-N 3.44Å; A373-S377 PolarHBondContact O-N 3.14Å; A373-S377 VanDerWaalsContact O-N 3.16Å; A373-S377 PolarHBondContact O-OG 3.19Å; A373-S377 VanDerWaalsContact O-OG 3.09Å
374D96.8Very high94.4Very high19 Ų1938.8 Ų38.810%0.10218%0.184CC..Hα-helixtrans-65.5-37.9172.9-73.6-26.3000111.8M305 H309 R370 R371 W376 S377 F378 F439M305-D374 HydrophobicContact CE-CB 3.86Å; M305-D374 WeakPolarHBondContact CE-OD2 3.33Å; H309-D374 IonicContact CD2-OD2 3.24Å; H309-D374 IonicContact CE1-OD2 3.57Å; H309-D374 IonicContact NE2-OD2 2.78Å; H309-D374 PolarHBondContact NE2-OD2 2.99Å; R370-D374 PolarHBondContact O-N 3.33Å; R371-D374 PolarHBondContact O-N 3.02Å; D374-W376 VanDerWaalsContact C-N 3.27Å; D374-W376 PolarHBondContact O-N 2.96Å; D374-S377 WeakPolarHBondContact O-CB 3.45Å; D374-S377 PolarHBondContact O-N 3.22Å; D374-S377 VanDerWaalsContact O-N 3.16Å; D374-F378 PolarHBondContact O-N 3.17Å; D374-F439 HydrophobicContact CB-CE2 4.05Å
375M97.9Very high94.7Very high0 Ų032.5 Ų32.50%016%0.157CC..Hα-helixtrans-62.5-35.4175.8-174.854.862.500112.2R371 S372 A373 F378 A379 C428 R436 P437 F439 I442R371-M375 PolarHBondContact O-N 2.93Å; R371-M375 VanDerWaalsContact O-N 3.08Å; S372-M375 PolarHBondContact O-N 3.37Å; A373-M375 VanDerWaalsContact C-N 3.34Å; M375-F378 PolarHBondContact O-N 2.84Å; M375-F378 HydrophobicContact SD-CD1 3.96Å; M375-A379 PolarHBondContact O-N 3.09Å; M375-C428 HydrophobicContact CG-CB 3.98Å; M375-C428 HydrophobicContact SD-CB 3.97Å; M375-R436 HydrophobicContact CB-CB 4.49Å; M375-R436 HydrophobicContact CG-CB 4.25Å; M375-P437 WeakPolarHBondContact CE-O 3.13Å; M375-P437 HydrophobicContact CG-CG 4.24Å; M375-P437 WeakPolarHBondContact CG-O 3.49Å; M375-P437 HydrophobicContact SD-CG 4.27Å; M375-F439 HydrophobicContact CE-CB 4.27Å; M375-F439 HydrophobicContact CE-CD1 3.61Å; M375-F439 HydrophobicContact CE-CD2 3.73Å; M375-F439 HydrophobicContact CE-CE1 3.76Å; M375-F439 HydrophobicContact CE-CE2 3.87Å; M375-F439 HydrophobicContact CE-CG 3.59Å; M375-F439 HydrophobicContact CE-CZ 3.89Å; M375-F439 HydrophobicContact SD-CE1 4.33Å; M375-F439 HydrophobicContact SD-CZ 4.43Å; M375-I442 HydrophobicContact CE-CD1 3.72Å; M375-I442 HydrophobicContact CE-CG1 4.14Å; M375-I442 HydrophobicContact SD-CD1 3.82Å
376W97.6Very high95.1Very high4 Ų431.3 Ų31.32%0.01515%0.149CC..Hα-helixtrans-62.7-50171.2-178.5-78.6000111.2A357 P358 S372 A373 D374 F378 A379 I380 M429A357-W376 VanDerWaalsContact CA-CD1 3.49Å; A357-W376 HydrophobicContact CB-CB 3.72Å; A357-W376 HydrophobicContact CB-CD2 4.26Å; A357-W376 HydrophobicContact CB-CG 3.72Å; P358-W376 HydrophobicContact CG-CH2 3.83Å; P358-W376 HydrophobicContact CG-CZ2 3.76Å; P358-W376 HydrophobicContact CG-CZ3 4.4Å; S372-W376 PolarHBondContact O-N 2.97Å; A373-W376 WeakPolarHBondContact O-CB 3.35Å; A373-W376 PolarHBondContact O-N 3.44Å; D374-W376 VanDerWaalsContact C-N 3.27Å; D374-W376 PolarHBondContact O-N 2.96Å; W376-F378 PolarHBondContact O-N 2.71Å; W376-A379 WeakPolarHBondContact O-CA 3.08Å; W376-A379 VanDerWaalsContact O-CB 3.29Å; W376-A379 WeakPolarHBondContact O-CB 3.36Å; W376-A379 PolarHBondContact O-N 2.88Å; W376-I380 WeakPolarHBondContact O-CG1 3.43Å; W376-I380 PolarHBondContact O-N 2.86Å; W376-M429 HydrophobicContact CE3-CB 4.21Å; W376-M429 HydrophobicContact CH2-CB 4.33Å; W376-M429 HydrophobicContact CZ3-CB 4.04Å; W376-M429 VanDerWaalsContact CZ3-O 3.28Å; W376-M429 WeakPolarHBondContact CZ3-O 3.33Å
377S97.6Very high95.4Very high8 Ų825.5 Ų25.56%0.05612%0.123CC..Hα-helixtrans-56.1-40.4177.9-48.80000112.2L320 W355 A373 D374 A379 I380 L381L320-S377 WeakPolarHBondContact O-CB 3.49Å; W355-S377 WeakPolarHBondContact O-CA 3.43Å; W355-S377 WeakPolarHBondContact O-CB 3.44Å; W355-S377 PolarHBondContact O-OG 3.23Å; W355-S377 VanDerWaalsContact O-OG 3.1Å; A373-S377 PolarHBondContact O-N 3.14Å; A373-S377 VanDerWaalsContact O-N 3.16Å; A373-S377 PolarHBondContact O-OG 3.19Å; A373-S377 VanDerWaalsContact O-OG 3.09Å; D374-S377 WeakPolarHBondContact O-CB 3.45Å; D374-S377 PolarHBondContact O-N 3.22Å; D374-S377 VanDerWaalsContact O-N 3.16Å; S377-A379 VanDerWaalsContact C-N 3.33Å; S377-A379 PolarHBondContact O-N 2.65Å; S377-I380 PolarHBondContact O-N 3.37Å; S377-L381 PolarHBondContact O-N 3.11Å
378F98.1Very high95.4Very high0 Ų023.3 Ų23.30%011%0.109CC..Hα-helixtrans-62.5-38.4173.1173.2-99.9000112.7A298 I301 A302 L320 D374 M375 W376 I380 L381 L382 F439 I442 L446A298-F378 HydrophobicContact CB-CE2 4.35Å; A298-F378 HydrophobicContact CB-CZ 4.17Å; A298-F378 WeakPolarHBondContact O-CE2 3.49Å; I301-F378 HydrophobicContact CB-CE2 4.35Å; I301-F378 HydrophobicContact CG2-CD2 3.92Å; I301-F378 HydrophobicContact CG2-CE2 4.26Å; A302-F378 HydrophobicContact CB-CE2 3.96Å; A302-F378 HydrophobicContact CB-CZ 4.05Å; L320-F378 HydrophobicContact CD2-CB 3.98Å; D374-F378 PolarHBondContact O-N 3.17Å; M375-F378 PolarHBondContact O-N 2.84Å; M375-F378 HydrophobicContact SD-CD1 3.96Å; W376-F378 PolarHBondContact O-N 2.71Å; F378-I380 VanDerWaalsContact C-N 3.35Å; F378-L381 WeakPolarHBondContact O-CB 3.45Å; F378-L381 PolarHBondContact O-N 3.08Å; F378-L382 HydrophobicContact CE1-CD2 4.45Å; F378-L382 WeakPolarHBondContact O-CB 3.25Å; F378-L382 PolarHBondContact O-N 2.88Å; F378-F439 HydrophobicContact CB-CE1 3.73Å; F378-F439 HydrophobicContact CB-CZ 3.71Å; F378-F439 HydrophobicContact CD1-CE1 4.16Å; F378-F439 AromaticContact CD2-CE1 3.89Å; F378-F439 HydrophobicContact CD2-CE1 3.89Å; F378-F439 AromaticContact CG-CE1 3.64Å; F378-F439 HydrophobicContact CG-CE1 3.64Å; F378-F439 HydrophobicContact CG-CZ 4.16Å; F378-I442 HydrophobicContact CD1-CD1 3.79Å; F378-I442 HydrophobicContact CE1-CD1 3.4Å; F378-I442 VanDerWaalsContact CE1-CD1 3.4Å; F378-I442 HydrophobicContact CZ-CD1 4Å; F378-L446 HydrophobicContact CZ-CD1 3.86Å
379A97.3Very high95.5Very high0 Ų026.8 Ų26.80%013%0.125CC..Hα-helixtrans-67.4-36.1178.100000112.7M375 W376 S377 L382 W383 C428 M429M375-A379 PolarHBondContact O-N 3.09Å; W376-A379 WeakPolarHBondContact O-CA 3.08Å; W376-A379 VanDerWaalsContact O-CB 3.29Å; W376-A379 WeakPolarHBondContact O-CB 3.36Å; W376-A379 PolarHBondContact O-N 2.88Å; S377-A379 VanDerWaalsContact C-N 3.33Å; S377-A379 PolarHBondContact O-N 2.65Å; A379-L382 PolarHBondContact O-N 2.85Å; A379-W383 PolarHBondContact O-N 2.92Å; A379-C428 HydrophobicContact CB-CB 3.46Å; A379-C428 VanDerWaalsContact CB-CB 3.46Å; A379-M429 HydrophobicContact CB-CB 4.46Å; A379-M429 HydrophobicContact CB-CG 3.3Å; A379-M429 HydrophobicContact CB-SD 4.24Å
380I97.6Very high95.5Very high2 Ų224.7 Ų24.71%0.0112%0.115CC..Hα-helixtrans-66.6-40.3172.3-53.1-62.7000110.6W355 W376 S377 F378 L382 W383 E384 P391 P411 M429W355-I380 HydrophobicContact CB-CG2 4.45Å; W355-I380 VanDerWaalsContact CD1-CG2 3.48Å; W355-I380 HydrophobicContact CG-CB 4.39Å; W355-I380 HydrophobicContact CG-CG2 3.98Å; W376-I380 WeakPolarHBondContact O-CG1 3.43Å; W376-I380 PolarHBondContact O-N 2.86Å; S377-I380 PolarHBondContact O-N 3.37Å; F378-I380 VanDerWaalsContact C-N 3.35Å; I380-L382 VanDerWaalsContact C-N 3.33Å; I380-L382 PolarHBondContact O-N 3.02Å; I380-W383 WeakPolarHBondContact O-CB 3.31Å; I380-W383 PolarHBondContact O-N 2.89Å; I380-E384 WeakPolarHBondContact O-CB 3.38Å; I380-E384 PolarHBondContact O-N 2.83Å; I380-P391 HydrophobicContact CG2-CB 4.18Å; I380-P391 HydrophobicContact CG2-CG 3.72Å; I380-P411 HydrophobicContact CD1-CG 3.51Å; I380-M429 HydrophobicContact CD1-SD 3.74Å
381L97.3Very high95.6Very high0 Ų020.8 Ų20.80%010%0.101CC..Hα-helixtrans-59.9-42.2171.5-82.8175.9000112.4L277 I301 L320 S322 I325 S377 F378 W383 E384 L385L277-L381 HydrophobicContact CD2-CD2 4.26Å; I301-L381 HydrophobicContact CD1-CD1 4.41Å; I301-L381 HydrophobicContact CG2-CD1 4.24Å; L320-L381 HydrophobicContact CD1-CD1 3.91Å; L320-L381 HydrophobicContact CD2-CD1 4Å; L320-L381 HydrophobicContact CG-CD1 3.6Å; S322-L381 VanDerWaalsContact N-CD2 3.27Å; I325-L381 HydrophobicContact CG1-CD1 4.37Å; S377-L381 PolarHBondContact O-N 3.11Å; F378-L381 WeakPolarHBondContact O-CB 3.45Å; F378-L381 PolarHBondContact O-N 3.08Å; L381-W383 VanDerWaalsContact C-N 3.34Å; L381-E384 PolarHBondContact O-N 3.24Å; L381-L385 WeakPolarHBondContact O-CB 3.29Å; L381-L385 VanDerWaalsContact O-CG 3.29Å; L381-L385 WeakPolarHBondContact O-CG 3.46Å; L381-L385 PolarHBondContact O-N 3.43Å
382L95.9Very high95.7Very high3 Ų318.3 Ų18.32%0.0169%0.092CC..Hα-helixtrans-65.6-38.9176.5-176.159.2000111.3A298 F378 A379 I380 V386 I421 L424 M425A298-L382 HydrophobicContact CB-CD1 3.89Å; F378-L382 HydrophobicContact CE1-CD2 4.45Å; F378-L382 WeakPolarHBondContact O-CB 3.25Å; F378-L382 PolarHBondContact O-N 2.88Å; A379-L382 PolarHBondContact O-N 2.85Å; I380-L382 VanDerWaalsContact C-N 3.33Å; I380-L382 PolarHBondContact O-N 3.02Å; L382-V386 HydrophobicContact CD1-CG2 4.31Å; L382-V386 WeakPolarHBondContact O-CG2 3.45Å; L382-V386 PolarHBondContact O-N 2.84Å; L382-I421 HydrophobicContact CD1-CG2 4.22Å; L382-I421 HydrophobicContact CD2-CG2 4.26Å; L382-I421 HydrophobicContact CG-CG2 4.16Å; L382-L424 HydrophobicContact CD2-CD2 3.84Å; L382-L424 HydrophobicContact CD2-CG 4.08Å; L382-M425 HydrophobicContact CB-CG 4.27Å; L382-M425 HydrophobicContact CD2-CG 3.55Å; L382-M425 HydrophobicContact CG-CG 3.75Å; L382-M425 HydrophobicContact CG-SD 4.28Å
383W96.2Very high95.5Very high8 Ų821.2 Ų21.23%0.0312%0.117CC..Hα-helixtrans-58.7-49.6171.2-177.991.7000111.2A379 I380 L381 L385 V386 T387 E389 P391 P411 T412 M425A379-W383 PolarHBondContact O-N 2.92Å; I380-W383 WeakPolarHBondContact O-CB 3.31Å; I380-W383 PolarHBondContact O-N 2.89Å; L381-W383 VanDerWaalsContact C-N 3.34Å; W383-L385 PolarHBondContact O-N 2.64Å; W383-V386 PolarHBondContact O-N 3.44Å; W383-T387 HydrophobicContact CD2-CG2 4.12Å; W383-T387 HydrophobicContact CG-CG2 4.32Å; W383-T387 HydrophobicContact CZ2-CG2 4.14Å; W383-T387 WeakPolarHBondContact O-CB 3.45Å; W383-T387 WeakPolarHBondContact O-CG2 3.4Å; W383-T387 PolarHBondContact O-N 3.39Å; W383-T387 PolarHBondContact O-OG1 2.94Å; W383-E389 HydrophobicContact CH2-CB 3.58Å; W383-E389 HydrophobicContact CZ2-CB 4.39Å; W383-E389 HydrophobicContact CZ3-CB 4.05Å; W383-E389 WeakPolarHBondContact CZ3-O 3.44Å; W383-P391 HydrophobicContact CE3-CB 4.37Å; W383-P391 HydrophobicContact CE3-CG 3.9Å; W383-P391 HydrophobicContact CZ3-CB 3.95Å; W383-P391 HydrophobicContact CZ3-CG 3.69Å; W383-P411 HydrophobicContact CD2-CB 3.97Å; W383-P411 HydrophobicContact CG-CB 4.1Å; W383-P411 HydrophobicContact CZ2-CB 4.3Å; W383-T412 PolarHBondContact NE1-O 3.24Å; W383-M425 VanDerWaalsContact CA-CE 3.45Å; W383-M425 HydrophobicContact CB-CE 3.41Å; W383-M425 VanDerWaalsContact CB-CE 3.41Å; W383-M425 VanDerWaalsContact CD1-CE 3.45Å; W383-M425 HydrophobicContact CG-CE 3.8Å
384E95.7Very high95.4Very high0 Ų028.6 Ų28.60%016%0.156CC..Hα-helixtrans-62.8-41.8-179.4-175.9-179.5-174.200112L281 H282 S322 W355 I380 L381 V386 R388L281-E384 HydrophobicContact CD1-CG 3.91Å; H282-E384 IonicContact CD2-OE1 3.93Å; H282-E384 IonicContact CE1-OE1 3.72Å; H282-E384 IonicContact NE2-OE1 3.27Å; H282-E384 PolarHBondContact NE2-OE1 2.97Å; S322-E384 VanDerWaalsContact CB-OE1 3.24Å; S322-E384 WeakPolarHBondContact CB-OE1 3.45Å; S322-E384 VanDerWaalsContact CB-OE2 3.22Å; S322-E384 WeakPolarHBondContact CB-OE2 3.5Å; S322-E384 VanDerWaalsContact OG-CD 3.23Å; S322-E384 PolarHBondContact OG-OE1 2.95Å; S322-E384 PolarHBondContact OG-OE2 3.38Å; W355-E384 WeakPolarHBondContact CZ2-OE2 3.38Å; W355-E384 PolarHBondContact NE1-OE2 3.15Å; I380-E384 WeakPolarHBondContact O-CB 3.38Å; I380-E384 PolarHBondContact O-N 2.83Å; L381-E384 PolarHBondContact O-N 3.24Å; E384-V386 VanDerWaalsContact C-N 3.25Å; E384-V386 PolarHBondContact O-N 2.94Å; E384-R388 WeakPolarHBondContact O-CA 3.4Å; E384-R388 PolarHBondContact O-N 3.27Å
385L94.7Very high95.3Very high1 Ų130 Ų301%0.00516%0.163CC..Hα-helixtrans-62.3-29.9177.1-83.1168.2000113.5L277 L281 A294 F297 A298 L381 W383 R388L277-L385 HydrophobicContact CD1-CD2 3.89Å; L277-L385 HydrophobicContact CD2-CD2 4.04Å; L277-L385 HydrophobicContact CD2-CG 4.33Å; L277-L385 HydrophobicContact CG-CD2 4.48Å; L281-L385 HydrophobicContact CD1-CD2 4.2Å; L281-L385 HydrophobicContact CD2-CD2 4.36Å; A294-L385 HydrophobicContact CB-CB 4.26Å; A294-L385 HydrophobicContact CB-CD2 4.48Å; F297-L385 HydrophobicContact CB-CD1 4.32Å; F297-L385 HydrophobicContact CB-CD2 4.1Å; F297-L385 HydrophobicContact CD2-CD2 4.01Å; A298-L385 HydrophobicContact CB-CD1 4.17Å; L381-L385 WeakPolarHBondContact O-CB 3.29Å; L381-L385 VanDerWaalsContact O-CG 3.29Å; L381-L385 WeakPolarHBondContact O-CG 3.46Å; L381-L385 PolarHBondContact O-N 3.43Å; W383-L385 PolarHBondContact O-N 2.64Å; L385-R388 PolarHBondContact O-NE 3.38Å; L385-R388 PolarHBondContact O-NH2 3.35Å
386V93.2Very high95.2Very high44 Ų4432.9 Ų32.927%0.26718%0.183SC..Hα-helixtrans-96.8-38.2-174.7177.30000111.6L382 W383 E384 I417 I421L382-V386 HydrophobicContact CD1-CG2 4.31Å; L382-V386 WeakPolarHBondContact O-CG2 3.45Å; L382-V386 PolarHBondContact O-N 2.84Å; W383-V386 PolarHBondContact O-N 3.44Å; E384-V386 VanDerWaalsContact C-N 3.25Å; E384-V386 PolarHBondContact O-N 2.94Å; V386-I417 HydrophobicContact CB-CD1 4.48Å; V386-I417 HydrophobicContact CG1-CB 4.24Å; V386-I417 HydrophobicContact CG1-CD1 3.6Å; V386-I417 HydrophobicContact CG1-CG1 3.6Å; V386-I417 HydrophobicContact CG1-CG2 3.71Å; V386-I421 HydrophobicContact CG2-CD1 4.41Å; V386-I421 HydrophobicContact CG2-CG2 3.87Å
387T92.6Very high95Very high24 Ų2436.3 Ų36.315%0.14720%0.201CC..Hα-helixtrans-84.3-28.2-178.756.90000113W383 E389 P414 I417W383-T387 HydrophobicContact CD2-CG2 4.12Å; W383-T387 HydrophobicContact CG-CG2 4.32Å; W383-T387 HydrophobicContact CZ2-CG2 4.14Å; W383-T387 WeakPolarHBondContact O-CB 3.45Å; W383-T387 WeakPolarHBondContact O-CG2 3.4Å; W383-T387 PolarHBondContact O-N 3.39Å; W383-T387 PolarHBondContact O-OG1 2.94Å; T387-E389 PolarHBondContact O-N 3.03Å; T387-E389 PolarHBondContact OG1-N 3.13Å; T387-P414 HydrophobicContact CG2-CG 3.97Å; T387-I417 HydrophobicContact CG2-CD1 4.08Å
388R91.7Very high94.7Very high75 Ų7542.8 Ų42.828%0.28323%0.233SC..  trans59.127.1-169.7-51.9-57.416782.56.1114V289 E384 L385V289-R388 VanDerWaalsContact C-NH2 3.3Å; V289-R388 VanDerWaalsContact CB-NH1 3.32Å; V289-R388 VanDerWaalsContact CB-NH2 3.3Å; V289-R388 PolarHBondContact O-NH1 3.27Å; V289-R388 PolarHBondContact O-NH2 2.96Å; E384-R388 WeakPolarHBondContact O-CA 3.4Å; E384-R388 PolarHBondContact O-N 3.27Å; L385-R388 PolarHBondContact O-NE 3.38Å; L385-R388 PolarHBondContact O-NH2 3.35Å
389E93.1Very high94.6Very high106 Ų10647 Ų4750%0.49525%0.252SS..  trans-107.4147.3174.4-66.9178.7-178.600109.8H282 W383 T387H282-E389 PolarHBondContact CE1-O 2.87Å; W383-E389 HydrophobicContact CH2-CB 3.58Å; W383-E389 HydrophobicContact CZ2-CB 4.39Å; W383-E389 HydrophobicContact CZ3-CB 4.05Å; W383-E389 WeakPolarHBondContact CZ3-O 3.44Å; T387-E389 PolarHBondContact O-N 3.03Å; T387-E389 PolarHBondContact OG1-N 3.13Å
390V94.6Very high94.6Very high39 Ų3947.3 Ų47.324%0.23625%0.254CS..  trans-78.6126.1169.6177.60000107.9Y278 H282 F392 A393Y278-V390 HydrophobicContact CE2-CG1 4.21Å; Y278-V390 HydrophobicContact CE2-CG2 4.08Å; H282-V390 HydrophobicContact CB-CG2 4.17Å; V390-F392 PolarHBondContact O-N 3.25Å; V390-F392 VanDerWaalsContact O-N 3.11Å; V390-A393 HydrophobicContact CB-CB 4.02Å; V390-A393 HydrophobicContact CG1-CB 4.35Å; V390-A393 PolarHBondContact O-N 3.14Å
391P94.2Very high94.4Very high3 Ų347.8 Ų47.82%0.01926%0.26CS..THydrogen-bonded Turntrans-59.6119.9-178.7-20.328.9000111.4A354 W355 I380 W383 A393A354-P391 HydrophobicContact CB-CB 4.08Å; W355-P391 HydrophobicContact CZ2-CG 4.16Å; I380-P391 HydrophobicContact CG2-CB 4.18Å; I380-P391 HydrophobicContact CG2-CG 3.72Å; W383-P391 HydrophobicContact CE3-CB 4.37Å; W383-P391 HydrophobicContact CE3-CG 3.9Å; W383-P391 HydrophobicContact CZ3-CB 3.95Å; W383-P391 HydrophobicContact CZ3-CG 3.69Å; P391-A393 VanDerWaalsContact C-N 3.35Å; P391-A393 PolarHBondContact O-N 3.24Å
392F95.1Very high94.3Very high33 Ų3352.3 Ų52.315%0.14528%0.282CS..THydrogen-bonded Turntrans57.439.9179-41.7-64.7000114.5A354 V390 D394 L395 I400 I404 L409 P411A354-F392 HydrophobicContact CB-CD2 4.14Å; V390-F392 PolarHBondContact O-N 3.25Å; V390-F392 VanDerWaalsContact O-N 3.11Å; F392-D394 PolarHBondContact O-N 2.91Å; F392-L395 HydrophobicContact CB-CD1 4.4Å; F392-L395 PolarHBondContact O-N 3.06Å; F392-I400 HydrophobicContact CB-CD1 3.9Å; F392-I400 HydrophobicContact CB-CG1 3.86Å; F392-I400 HydrophobicContact CD2-CG2 3.92Å; F392-I404 HydrophobicContact CD2-CD1 4.32Å; F392-I404 HydrophobicContact CE2-CD1 3.81Å; F392-I404 HydrophobicContact CE2-CG1 4.22Å; F392-L409 HydrophobicContact CD1-CD1 3.91Å; F392-L409 HydrophobicContact CD1-CD2 3.79Å; F392-L409 HydrophobicContact CD1-CG 3.87Å; F392-L409 HydrophobicContact CD2-CD2 4.36Å; F392-L409 HydrophobicContact CE1-CD1 3.62Å; F392-L409 HydrophobicContact CE1-CD2 3.9Å; F392-L409 HydrophobicContact CE1-CG 3.47Å; F392-L409 VanDerWaalsContact CE1-CG 3.47Å; F392-L409 HydrophobicContact CE2-CD2 4.45Å; F392-L409 HydrophobicContact CE2-CG 4.46Å; F392-L409 HydrophobicContact CG-CD2 4.02Å; F392-L409 HydrophobicContact CZ-CD1 4.4Å; F392-L409 HydrophobicContact CZ-CD2 4.22Å; F392-L409 HydrophobicContact CZ-CG 3.79Å; F392-P411 HydrophobicContact CE2-CG 4.37Å; F392-P411 HydrophobicContact CZ-CG 3.86Å
393A92.5Very high94.4Very high69 Ų6955.1 Ų55.157%0.5729%0.294SS*.THydrogen-bonded Turntrans-49.7-30.7-175.300000115.3V390 P391 L395V390-A393 HydrophobicContact CB-CB 4.02Å; V390-A393 HydrophobicContact CG1-CB 4.35Å; V390-A393 PolarHBondContact O-N 3.14Å; P391-A393 VanDerWaalsContact C-N 3.35Å; P391-A393 PolarHBondContact O-N 3.24Å; A393-L395 VanDerWaalsContact C-N 3.28Å; A393-L395 PolarHBondContact O-N 3.27Å
394D93.8Very high94.4Very high163 Ų16355 Ų5587%0.87229%0.293SS*.THydrogen-bonded Turntrans-78.7-7.1-176.3-56.6-41.1000114.2F392F392-D394 PolarHBondContact O-N 2.91Å
395L95.6Very high94.3Very high49 Ų4955.8 Ų55.826%0.25730%0.3SS..SBendtrans-112.4149.4-174.4-61.3-179.8000111.6F392 A393 E399 I400 K403 L409F392-L395 HydrophobicContact CB-CD1 4.4Å; F392-L395 PolarHBondContact O-N 3.06Å; A393-L395 VanDerWaalsContact C-N 3.28Å; A393-L395 PolarHBondContact O-N 3.27Å; L395-E399 HydrophobicContact CB-CB 4.32Å; L395-I400 HydrophobicContact CB-CD1 4.19Å; L395-I400 HydrophobicContact CB-CG1 3.59Å; L395-I400 HydrophobicContact CD1-CG1 4.37Å; L395-I400 WeakPolarHBondContact O-CD1 3.23Å; L395-K403 HydrophobicContact CD1-CD 4.03Å; L395-L409 HydrophobicContact CD1-CD2 3.86Å
396S94.9Very high94.2Very high59 Ų5962.1 Ų62.141%0.41333%0.333SS..  trans-70.6155.1170.570.40000111.4M398 E399 I400S396-M398 PolarHBondContact O-N 2.8Å; S396-M398 VanDerWaalsContact O-N 3.11Å; S396-E399 VanDerWaalsContact CB-OE2 3.25Å; S396-E399 WeakPolarHBondContact CB-OE2 3.39Å; S396-E399 PolarHBondContact N-OE2 3.24Å; S396-E399 PolarHBondContact O-N 3.24Å; S396-E399 VanDerWaalsContact O-N 3.08Å; S396-E399 VanDerWaalsContact OG-CG 3.31Å; S396-E399 WeakPolarHBondContact OG-CG 3.39Å; S396-E399 PolarHBondContact OG-N 3.2Å; S396-E399 PolarHBondContact OG-OE2 3.48Å; S396-I400 VanDerWaalsContact O-CG1 3.3Å; S396-I400 WeakPolarHBondContact O-CG1 3.44Å; S396-I400 PolarHBondContact O-N 3.14Å
397N93.6Very high94.3Very high76 Ų7666 Ų6641%0.40635%0.349SS..Hα-helixtrans-53.2-36.2177-75.8-28.5000113.1Y351 P353 G401Y351-N397 PolarHBondContact O-ND2 2.84Å; P353-N397 HydrophobicContact CG-CB 4.04Å; P353-N397 WeakPolarHBondContact CG-O 3.14Å; N397-G401 PolarHBondContact O-N 2.82Å
398M92.1Very high94.3Very high145 Ų14567.1 Ų67.171%0.71437%0.365SS*.Hα-helixtrans-68.6-45.1179.1-174.4168.1178.900111.6S396 G401 M402S396-M398 PolarHBondContact O-N 2.8Å; S396-M398 VanDerWaalsContact O-N 3.11Å; M398-G401 PolarHBondContact O-N 2.82Å; M398-M402 HydrophobicContact CE-SD 4.28Å; M398-M402 HydrophobicContact CG-SD 4.42Å; M398-M402 PolarHBondContact O-N 3Å
399E95.3Very high94.5Very high88 Ų8865.8 Ų65.841%0.41136%0.363SS..Hα-helixtrans-62.3-44.8175.1-69.4165.4122.900111L395 S396 G401 M402 K403L395-E399 HydrophobicContact CB-CB 4.32Å; S396-E399 VanDerWaalsContact CB-OE2 3.25Å; S396-E399 WeakPolarHBondContact CB-OE2 3.39Å; S396-E399 PolarHBondContact N-OE2 3.24Å; S396-E399 PolarHBondContact O-N 3.24Å; S396-E399 VanDerWaalsContact O-N 3.08Å; S396-E399 VanDerWaalsContact OG-CG 3.31Å; S396-E399 WeakPolarHBondContact OG-CG 3.39Å; S396-E399 PolarHBondContact OG-N 3.2Å; S396-E399 PolarHBondContact OG-OE2 3.48Å; E399-G401 PolarHBondContact O-N 3.39Å; E399-M402 PolarHBondContact O-N 2.86Å; E399-K403 VanDerWaalsContact O-CB 3.28Å; E399-K403 WeakPolarHBondContact O-CB 3.29Å; E399-K403 WeakPolarHBondContact O-CG 3.37Å; E399-K403 PolarHBondContact O-N 3.1Å
400I96.4Very high94.6Very high6 Ų663.6 Ų63.63%0.03135%0.35CS..Hα-helixtrans-56.2-51.9176.5-66.8169.9000110.2P353 A354 F392 L395 S396 M402 K403 I404P353-I400 HydrophobicContact CB-CG2 4.39Å; P353-I400 HydrophobicContact CG-CB 4.29Å; P353-I400 HydrophobicContact CG-CG2 4.16Å; A354-I400 HydrophobicContact CB-CD1 4.47Å; A354-I400 HydrophobicContact CB-CG2 3.9Å; F392-I400 HydrophobicContact CB-CD1 3.9Å; F392-I400 HydrophobicContact CB-CG1 3.86Å; F392-I400 HydrophobicContact CD2-CG2 3.92Å; L395-I400 HydrophobicContact CB-CD1 4.19Å; L395-I400 HydrophobicContact CB-CG1 3.59Å; L395-I400 HydrophobicContact CD1-CG1 4.37Å; L395-I400 WeakPolarHBondContact O-CD1 3.23Å; S396-I400 VanDerWaalsContact O-CG1 3.3Å; S396-I400 WeakPolarHBondContact O-CG1 3.44Å; S396-I400 PolarHBondContact O-N 3.14Å; I400-M402 PolarHBondContact O-N 3.17Å; I400-K403 PolarHBondContact O-N 2.63Å; I400-I404 HydrophobicContact CG2-CD1 3.49Å; I400-I404 VanDerWaalsContact CG2-CD1 3.49Å; I400-I404 HydrophobicContact CG2-CG1 4.25Å; I400-I404 WeakPolarHBondContact O-CB 3.43Å; I400-I404 VanDerWaalsContact O-CG1 3.23Å; I400-I404 WeakPolarHBondContact O-CG1 3.41Å; I400-I404 PolarHBondContact O-N 2.82Å
401G94.6Very high94.4Very high13 Ų1362.6 Ų62.613%0.13434%0.344CS..Hα-helixtrans-59.5-46.3-179.600000112.7N397 M398 E399 A405N397-G401 PolarHBondContact O-N 2.82Å; M398-G401 PolarHBondContact O-N 2.82Å; E399-G401 PolarHBondContact O-N 3.39Å; G401-A405 VanDerWaalsContact O-CB 3.23Å; G401-A405 WeakPolarHBondContact O-CB 3.39Å; G401-A405 PolarHBondContact O-N 2.8Å; G401-A405 VanDerWaalsContact O-N 3.12Å
402M94.7Very high94.2Very high94 Ų9467.8 Ų67.846%0.46338%0.376SS..Hα-helixtrans-62.6-48.1177.2-79.4179.342.200112.2M398 E399 I400 A405 L406M398-M402 HydrophobicContact CE-SD 4.28Å; M398-M402 HydrophobicContact CG-SD 4.42Å; M398-M402 PolarHBondContact O-N 3Å; E399-M402 PolarHBondContact O-N 2.86Å; I400-M402 PolarHBondContact O-N 3.17Å; M402-A405 PolarHBondContact O-N 3.39Å; M402-L406 WeakPolarHBondContact O-CB 3.02Å; M402-L406 PolarHBondContact O-N 2.78Å
403K96.9Very high93.9Very high63 Ų6368.4 Ų68.427%0.27438%0.381SS..Hα-helixtrans-69.2-37.3-176.1-69.6-169.4170.6-179.60112.7L395 E399 I400 E407 G408 L409L395-K403 HydrophobicContact CD1-CD 4.03Å; E399-K403 VanDerWaalsContact O-CB 3.28Å; E399-K403 WeakPolarHBondContact O-CB 3.29Å; E399-K403 WeakPolarHBondContact O-CG 3.37Å; E399-K403 PolarHBondContact O-N 3.1Å; I400-K403 PolarHBondContact O-N 2.63Å; K403-E407 HydrophobicContact CB-CB 4.31Å; K403-E407 HydrophobicContact CG-CG 4.47Å; K403-E407 WeakPolarHBondContact CG-OE2 3.41Å; K403-E407 CarbonylContact O-C 3.6Å; K403-E407 WeakPolarHBondContact O-CA 3.24Å; K403-E407 WeakPolarHBondContact O-CB 3.2Å; K403-E407 PolarHBondContact O-N 2.86Å; K403-G408 PolarHBondContact O-N 2.9Å; K403-G408 VanDerWaalsContact O-N 3.09Å; K403-L409 HydrophobicContact CB-CB 3.72Å; K403-L409 HydrophobicContact CB-CD2 3.63Å; K403-L409 HydrophobicContact CB-CG 4.29Å; K403-L409 HydrophobicContact CD-CD2 4.22Å; K403-L409 PolarHBondContact O-N 2.86Å; K403-L409 VanDerWaalsContact O-N 3.11Å
404I96.1Very high93.6Very high4 Ų467.2 Ų67.22%0.02137%0.367CS..Hα-helixtrans-64.2-44.8174.2-69.2172.9000110.1P358 L361 F392 I400 L409 R410P358-I404 HydrophobicContact CB-CG2 4.27Å; P358-I404 HydrophobicContact CG-CG2 4.05Å; L361-I404 HydrophobicContact CD1-CB 3.98Å; L361-I404 HydrophobicContact CD1-CG2 3.76Å; F392-I404 HydrophobicContact CD2-CD1 4.32Å; F392-I404 HydrophobicContact CE2-CD1 3.81Å; F392-I404 HydrophobicContact CE2-CG1 4.22Å; I400-I404 HydrophobicContact CG2-CD1 3.49Å; I400-I404 VanDerWaalsContact CG2-CD1 3.49Å; I400-I404 HydrophobicContact CG2-CG1 4.25Å; I400-I404 WeakPolarHBondContact O-CB 3.43Å; I400-I404 VanDerWaalsContact O-CG1 3.23Å; I400-I404 WeakPolarHBondContact O-CG1 3.41Å; I400-I404 PolarHBondContact O-N 2.82Å; I404-L409 HydrophobicContact CG1-CB 4.3Å; I404-L409 HydrophobicContact CG1-CD2 4.36Å; I404-L409 HydrophobicContact CG1-CG 4.47Å; I404-R410 PolarHBondContact O-NH1 2.92Å
405A94.1Very high93.2Very high17 Ų1765.9 Ų65.914%0.1437%0.368CS..Hα-helixtrans-71-41.7-176.500000113.1L361 Q362 G401 M402L361-A405 HydrophobicContact CB-CB 3.99Å; L361-A405 HydrophobicContact CD1-CB 4.44Å; Q362-A405 VanDerWaalsContact CD-O 3.31Å; Q362-A405 HydrophobicContact CG-CB 3.9Å; Q362-A405 PolarHBondContact NE2-O 2.81Å; G401-A405 VanDerWaalsContact O-CB 3.23Å; G401-A405 WeakPolarHBondContact O-CB 3.39Å; G401-A405 PolarHBondContact O-N 2.8Å; G401-A405 VanDerWaalsContact O-N 3.12Å; M402-A405 PolarHBondContact O-N 3.39Å
406L93.9Very high92.6Very high134 Ų13467.8 Ų67.870%0.70240%0.399SS*.Hα-helixtrans-117.2-26.4-165.8-55.7178.9000114.4M402M402-L406 WeakPolarHBondContact O-CB 3.02Å; M402-L406 PolarHBondContact O-N 2.78Å
407E94.5Very high92.3Very high127 Ų12766.5 Ų66.559%0.59339%0.387SS*.SBendtrans-110.51.5-171.8-59.5178.3-152.500113.4K403 L409K403-E407 HydrophobicContact CB-CB 4.31Å; K403-E407 HydrophobicContact CG-CG 4.47Å; K403-E407 WeakPolarHBondContact CG-OE2 3.41Å; K403-E407 CarbonylContact O-C 3.6Å; K403-E407 WeakPolarHBondContact O-CA 3.24Å; K403-E407 WeakPolarHBondContact O-CB 3.2Å; K403-E407 PolarHBondContact O-N 2.86Å; E407-L409 VanDerWaalsContact C-N 3.33Å; E407-L409 PolarHBondContact O-N 2.83Å
408G93.3Very high92.1Very high47 Ų4764.5 Ų64.549%0.48538%0.379SS..  trans71.324.6178.300000114.2K403 R410K403-G408 PolarHBondContact O-N 2.9Å; K403-G408 VanDerWaalsContact O-N 3.09Å; G408-R410 PolarHBondContact O-N 3.44Å
409L95.4Very high91.9Very high46 Ų4662.5 Ų62.524%0.24138%0.377CS..  trans-63.1123.8175.6179.766.1000110.7F392 L395 K403 I404 E407F392-L409 HydrophobicContact CD1-CD1 3.91Å; F392-L409 HydrophobicContact CD1-CD2 3.79Å; F392-L409 HydrophobicContact CD1-CG 3.87Å; F392-L409 HydrophobicContact CD2-CD2 4.36Å; F392-L409 HydrophobicContact CE1-CD1 3.62Å; F392-L409 HydrophobicContact CE1-CD2 3.9Å; F392-L409 HydrophobicContact CE1-CG 3.47Å; F392-L409 VanDerWaalsContact CE1-CG 3.47Å; F392-L409 HydrophobicContact CE2-CD2 4.45Å; F392-L409 HydrophobicContact CE2-CG 4.46Å; F392-L409 HydrophobicContact CG-CD2 4.02Å; F392-L409 HydrophobicContact CZ-CD1 4.4Å; F392-L409 HydrophobicContact CZ-CD2 4.22Å; F392-L409 HydrophobicContact CZ-CG 3.79Å; L395-L409 HydrophobicContact CD1-CD2 3.86Å; K403-L409 HydrophobicContact CB-CB 3.72Å; K403-L409 HydrophobicContact CB-CD2 3.63Å; K403-L409 HydrophobicContact CB-CG 4.29Å; K403-L409 HydrophobicContact CD-CD2 4.22Å; K403-L409 PolarHBondContact O-N 2.86Å; K403-L409 VanDerWaalsContact O-N 3.11Å; I404-L409 HydrophobicContact CG1-CB 4.3Å; I404-L409 HydrophobicContact CG1-CD2 4.36Å; I404-L409 HydrophobicContact CG1-CG 4.47Å; E407-L409 VanDerWaalsContact C-N 3.33Å; E407-L409 PolarHBondContact O-N 2.83Å
410R94.1Very high91.7Very high60 Ų6063.7 Ų63.723%0.22638%0.382CS..  trans-138.3150.1-179.8-59.2-61.3178.9-94.2-3.6110.9I404 G408 T412 E431I404-R410 PolarHBondContact O-NH1 2.92Å; G408-R410 PolarHBondContact O-N 3.44Å; R410-T412 PolarHBondContact O-N 3.15Å; R410-E431 IonicContact CZ-OE1 2.86Å; R410-E431 IonicContact CZ-OE2 2.69Å; R410-E431 IonicContact NE-OE1 3.09Å; R410-E431 PolarHBondContact NE-OE1 3.45Å; R410-E431 IonicContact NE-OE2 3.42Å; R410-E431 IonicContact NH2-OE1 2.71Å; R410-E431 PolarHBondContact NH2-OE1 2.93Å; R410-E431 IonicContact NH2-OE2 2.69Å; R410-E431 PolarHBondContact NH2-OE2 3.36Å
411P91.3Very high91.5Very high18 Ų1863.7 Ų63.712%0.11738%0.382CS..  trans-65.7135174.8-16.329.6000111.2I380 W383 F392I380-P411 HydrophobicContact CD1-CG 3.51Å; W383-P411 HydrophobicContact CD2-CB 3.97Å; W383-P411 HydrophobicContact CG-CB 4.1Å; W383-P411 HydrophobicContact CZ2-CB 4.3Å; F392-P411 HydrophobicContact CE2-CG 4.37Å; F392-P411 HydrophobicContact CZ-CG 3.86Å
412T90Very high91.4Very high112 Ų11264.2 Ų64.269%0.68738%0.383SS*.  trans-83.8136.4172.150.60000109.8W383 R410 P414W383-T412 PolarHBondContact NE1-O 3.24Å; R410-T412 PolarHBondContact O-N 3.15Å; T412-P414 VanDerWaalsContact O-CD 3.3Å; T412-P414 WeakPolarHBondContact O-CD 3.48Å
413I88.1Confident91.3Very high46 Ų4666.7 Ų66.724%0.23639%0.391CS..  trans-89.5112.7176.9-55.2179.3000108.3I417 C422 M425 K426 M429I413-I417 HydrophobicContact CG2-CD1 3.81Å; I413-C422 HydrophobicContact CG2-CB 4.48Å; I413-M425 HydrophobicContact CD1-CB 4.18Å; I413-M425 HydrophobicContact CD1-CE 4.02Å; I413-M425 HydrophobicContact CG1-CE 3.97Å; I413-K426 HydrophobicContact CD1-CG 4Å; I413-M429 HydrophobicContact CD1-CE 4.26Å
414P87Confident91.2Very high45 Ų4564.1 Ų64.129%0.29238%0.38SS..  trans-63.6152.7-179.6-22.134.4000112.9T387 T412T387-P414 HydrophobicContact CG2-CG 3.97Å; T412-P414 VanDerWaalsContact O-CD 3.3Å; T412-P414 WeakPolarHBondContact O-CD 3.48Å
415P85Confident91.2Very high135 Ų13563.9 Ų63.988%0.87738%0.38SS*.THydrogen-bonded Turntrans-65.314617029.6-33.8000110.4
416G83.8Confident91.2Very high88 Ų8869.5 Ų69.591%0.90740%0.401SS*.THydrogen-bonded Turntrans105.4-8.2179.400000115.2
417I88.1Confident91.3Very high33 Ų3366.7 Ų66.717%0.16939%0.385CS..SBendtrans-77.1143.8173.4-63.3176000110.7V386 T387 I413 I421V386-I417 HydrophobicContact CB-CD1 4.48Å; V386-I417 HydrophobicContact CG1-CB 4.24Å; V386-I417 HydrophobicContact CG1-CD1 3.6Å; V386-I417 HydrophobicContact CG1-CG1 3.6Å; V386-I417 HydrophobicContact CG1-CG2 3.71Å; T387-I417 HydrophobicContact CG2-CD1 4.08Å; I413-I417 HydrophobicContact CG2-CD1 3.81Å; I417-I421 HydrophobicContact CG2-CB 4.13Å; I417-I421 HydrophobicContact CG2-CG2 4.14Å
418S88.6Confident91.3Very high33 Ų3360.6 Ų60.623%0.23136%0.357CS..  trans-47.7129.8174.3173.50000111.9H420 I421 C422S418-H420 PolarHBondContact O-N 2.89Å; S418-H420 VanDerWaalsContact O-N 3.12Å; S418-I421 PolarHBondContact O-N 3.05Å; S418-I421 VanDerWaalsContact O-N 3.09Å; S418-C422 PolarHBondContact O-N 2.99Å
419P89.7Confident91.4Very high104 Ų10459.6 Ų59.668%0.67534%0.34SS*.Hα-helixtrans-55.8-33.1179.7-27.234.3000113.5K423P419-K423 WeakPolarHBondContact O-CB 3.47Å; P419-K423 PolarHBondContact O-N 2.92Å
420H90.8Very high91.4Very high113 Ų11359.9 Ų59.952%0.52334%0.342SS..Hα-helixtrans-67.1-45.7178.8-65.888.3000111.5S418 K423 L424 M449S418-H420 PolarHBondContact O-N 2.89Å; S418-H420 VanDerWaalsContact O-N 3.12Å; H420-K423 PolarHBondContact O-N 3.16Å; H420-L424 WeakPolarHBondContact O-CB 3.33Å; H420-L424 PolarHBondContact O-N 3.02Å; H420-M449 HydrophobicContact CB-CE 3.71Å; H420-M449 HydrophobicContact CB-SD 4.26Å
421I91.3Very high91.3Very high6 Ų661.9 Ų61.93%0.03135%0.354CS..Hα-helixtrans-67.5-44178.3-61.9179.2000110.1V295 L382 V386 I417 S418 K423 L424 M425 M449V295-I421 HydrophobicContact CG2-CD1 4.1Å; L382-I421 HydrophobicContact CD1-CG2 4.22Å; L382-I421 HydrophobicContact CD2-CG2 4.26Å; L382-I421 HydrophobicContact CG-CG2 4.16Å; V386-I421 HydrophobicContact CG2-CD1 4.41Å; V386-I421 HydrophobicContact CG2-CG2 3.87Å; I417-I421 HydrophobicContact CG2-CB 4.13Å; I417-I421 HydrophobicContact CG2-CG2 4.14Å; S418-I421 PolarHBondContact O-N 3.05Å; S418-I421 VanDerWaalsContact O-N 3.09Å; I421-K423 VanDerWaalsContact C-N 3.32Å; I421-K423 PolarHBondContact O-N 2.56Å; I421-L424 PolarHBondContact O-N 2.89Å; I421-M425 HydrophobicContact CG2-CG 4.23Å; I421-M425 HydrophobicContact CG2-SD 3.77Å; I421-M425 WeakPolarHBondContact O-CB 3.15Å; I421-M425 VanDerWaalsContact O-CG 3.24Å; I421-M425 WeakPolarHBondContact O-CG 3.5Å; I421-M425 PolarHBondContact O-N 3.35Å; I421-M449 HydrophobicContact CG1-SD 4.06Å
422C92.6Very high91.5Very high23 Ų2363.8 Ų63.816%0.15536%0.363CS..Hα-helixtrans-58.3-43175.9179.70000112I413 S418 K426I413-C422 HydrophobicContact CG2-CB 4.48Å; S418-C422 PolarHBondContact O-N 2.99Å; C422-K426 WeakPolarHBondContact O-CG 3.3Å; C422-K426 PolarHBondContact O-N 2.65Å
423K93.4Very high91.7Very high146 Ų14660.1 Ų60.164%0.63534%0.341SS*.Hα-helixtrans-64.7-44.1175.9-172.7176.6-178.2179.50111.8P419 H420 I421 K426 I427P419-K423 WeakPolarHBondContact O-CB 3.47Å; P419-K423 PolarHBondContact O-N 2.92Å; H420-K423 PolarHBondContact O-N 3.16Å; I421-K423 VanDerWaalsContact C-N 3.32Å; I421-K423 PolarHBondContact O-N 2.56Å; K423-K426 PolarHBondContact O-N 2.98Å; K423-I427 HydrophobicContact CG-CD1 3.99Å; K423-I427 WeakPolarHBondContact O-CG1 3.46Å; K423-I427 PolarHBondContact O-N 2.95Å; K423-I427 VanDerWaalsContact O-N 3.11Å
424L94.4Very high92Very high9 Ų962 Ų625%0.04736%0.363CS..Hα-helixtrans-59.7-49.4177-179.160.7000110.9L382 H420 I421 K426 I427 C428 I442 L446 M449L382-L424 HydrophobicContact CD2-CD2 3.84Å; L382-L424 HydrophobicContact CD2-CG 4.08Å; H420-L424 WeakPolarHBondContact O-CB 3.33Å; H420-L424 PolarHBondContact O-N 3.02Å; I421-L424 PolarHBondContact O-N 2.89Å; L424-K426 PolarHBondContact O-N 3.18Å; L424-I427 PolarHBondContact O-N 3.3Å; L424-I427 VanDerWaalsContact O-N 3.16Å; L424-C428 PolarHBondContact O-N 2.96Å; L424-C428 PolarHBondContact O-SG 3.31Å; L424-I442 HydrophobicContact CD1-CB 4.27Å; L424-I442 HydrophobicContact CD1-CG2 3.86Å; L424-L446 HydrophobicContact CD2-CD2 3.72Å; L424-L446 HydrophobicContact CD2-CG 4.23Å; L424-M449 HydrophobicContact CD2-CE 4.27Å
425M95.1Very high92.5Very high0 Ų066.2 Ų66.20%038%0.377CS..Hα-helixtrans-56.4-45.8177.3-71.3170.962.100112.5L382 W383 I413 I421 I427 C428 M429L382-M425 HydrophobicContact CB-CG 4.27Å; L382-M425 HydrophobicContact CD2-CG 3.55Å; L382-M425 HydrophobicContact CG-CG 3.75Å; L382-M425 HydrophobicContact CG-SD 4.28Å; W383-M425 VanDerWaalsContact CA-CE 3.45Å; W383-M425 HydrophobicContact CB-CE 3.41Å; W383-M425 VanDerWaalsContact CB-CE 3.41Å; W383-M425 VanDerWaalsContact CD1-CE 3.45Å; W383-M425 HydrophobicContact CG-CE 3.8Å; I413-M425 HydrophobicContact CD1-CB 4.18Å; I413-M425 HydrophobicContact CD1-CE 4.02Å; I413-M425 HydrophobicContact CG1-CE 3.97Å; I421-M425 HydrophobicContact CG2-CG 4.23Å; I421-M425 HydrophobicContact CG2-SD 3.77Å; I421-M425 WeakPolarHBondContact O-CB 3.15Å; I421-M425 VanDerWaalsContact O-CG 3.24Å; I421-M425 WeakPolarHBondContact O-CG 3.5Å; I421-M425 PolarHBondContact O-N 3.35Å; M425-I427 VanDerWaalsContact C-N 3.33Å; M425-I427 PolarHBondContact O-N 2.97Å; M425-C428 PolarHBondContact O-N 3.03Å; M425-M429 HydrophobicContact CB-CE 4.09Å; M425-M429 HydrophobicContact CE-CE 4.26Å; M425-M429 WeakPolarHBondContact O-CB 3.37Å; M425-M429 WeakPolarHBondContact O-CG 3.19Å; M425-M429 PolarHBondContact O-N 2.61Å
426K94.4Very high93.1Very high134 Ų13460.4 Ų60.458%0.58334%0.338SS*.Hα-helixtrans-62.3-38177.9-75.1175.4179178.60113I413 C422 K423 L424 N430I413-K426 HydrophobicContact CD1-CG 4Å; C422-K426 WeakPolarHBondContact O-CG 3.3Å; C422-K426 PolarHBondContact O-N 2.65Å; K423-K426 PolarHBondContact O-N 2.98Å; L424-K426 PolarHBondContact O-N 3.18Å; K426-N430 PolarHBondContact O-N 3.06Å
427I95.6Very high93.7Very high75 Ų7557.2 Ų57.239%0.38530%0.301SS..Hα-helixtrans-71.1-40.1178.5-69.6167.6000110.5K423 L424 M425 P437K423-I427 HydrophobicContact CG-CD1 3.99Å; K423-I427 WeakPolarHBondContact O-CG1 3.46Å; K423-I427 PolarHBondContact O-N 2.95Å; K423-I427 VanDerWaalsContact O-N 3.11Å; L424-I427 PolarHBondContact O-N 3.3Å; L424-I427 VanDerWaalsContact O-N 3.16Å; M425-I427 VanDerWaalsContact C-N 3.33Å; M425-I427 PolarHBondContact O-N 2.97Å; I427-P437 HydrophobicContact CG2-CG 3.91Å
428C96.1Very high94Very high0 Ų061 Ų610%032%0.316CS..Hα-helixtrans-72.9-31.6178.1-60.70000113M375 A379 L424 M425 N430 R436M375-C428 HydrophobicContact CG-CB 3.98Å; M375-C428 HydrophobicContact SD-CB 3.97Å; A379-C428 HydrophobicContact CB-CB 3.46Å; A379-C428 VanDerWaalsContact CB-CB 3.46Å; L424-C428 PolarHBondContact O-N 2.96Å; L424-C428 PolarHBondContact O-SG 3.31Å; M425-C428 PolarHBondContact O-N 3.03Å; C428-N430 VanDerWaalsContact C-N 3.32Å; C428-N430 PolarHBondContact O-N 2.89Å; C428-R436 WeakPolarHBondContact O-CD 3.08Å
429M94.9Very high94.2Very high25 Ų2559.6 Ų59.612%0.12331%0.306CS..THydrogen-bonded Turntrans-9131.4173.3-62.8-174.1-67.200113.4W376 A379 I380 I413 M425 E431W376-M429 HydrophobicContact CE3-CB 4.21Å; W376-M429 HydrophobicContact CH2-CB 4.33Å; W376-M429 HydrophobicContact CZ3-CB 4.04Å; W376-M429 VanDerWaalsContact CZ3-O 3.28Å; W376-M429 WeakPolarHBondContact CZ3-O 3.33Å; A379-M429 HydrophobicContact CB-CB 4.46Å; A379-M429 HydrophobicContact CB-CG 3.3Å; A379-M429 HydrophobicContact CB-SD 4.24Å; I380-M429 HydrophobicContact CD1-SD 3.74Å; I413-M429 HydrophobicContact CD1-CE 4.26Å; M425-M429 HydrophobicContact CB-CE 4.09Å; M425-M429 HydrophobicContact CE-CE 4.26Å; M425-M429 WeakPolarHBondContact O-CB 3.37Å; M425-M429 WeakPolarHBondContact O-CG 3.19Å; M425-M429 PolarHBondContact O-N 2.61Å; M429-E431 PolarHBondContact O-N 3.15Å
430N95.6Very high94.1Very high52 Ų5259.3 Ų59.328%0.27830%0.299SS..  trans-65.8133.1175.7-159-54.4000110.3K426 C428 D432 K435 R436K426-N430 PolarHBondContact O-N 3.06Å; C428-N430 VanDerWaalsContact C-N 3.32Å; C428-N430 PolarHBondContact O-N 2.89Å; N430-D432 PolarHBondContact O-N 2.95Å; N430-D432 PolarHBondContact OD1-N 3.31Å; N430-K435 HydrophobicContact CB-CB 4.33Å; N430-R436 HydrophobicContact CB-CG 4.01Å; N430-R436 PolarHBondContact O-NE 2.76Å; N430-R436 PolarHBondContact O-NH2 2.84Å; N430-R436 VanDerWaalsContact O-NH2 3.17Å
431E92.8Very high94.1Very high102 Ų10259.2 Ų59.248%0.47730%0.3SS..SBendtrans-60.4-31.8177.1-67.9-60143.900112.1R410 M429 P433R410-E431 IonicContact CZ-OE1 2.86Å; R410-E431 IonicContact CZ-OE2 2.69Å; R410-E431 IonicContact NE-OE1 3.09Å; R410-E431 PolarHBondContact NE-OE1 3.45Å; R410-E431 IonicContact NE-OE2 3.42Å; R410-E431 IonicContact NH2-OE1 2.71Å; R410-E431 PolarHBondContact NH2-OE1 2.93Å; R410-E431 IonicContact NH2-OE2 2.69Å; R410-E431 PolarHBondContact NH2-OE2 3.36Å; M429-E431 PolarHBondContact O-N 3.15Å; E431-P433 VanDerWaalsContact O-CD 3.27Å; E431-P433 WeakPolarHBondContact O-CD 3.27Å
432D94.6Very high94.3Very high59 Ų5959 Ų5932%0.31630%0.299SS..SBendtrans-83.3111.3174-175.9-10.9000110.3N430 A434 K435N430-D432 PolarHBondContact O-N 2.95Å; N430-D432 PolarHBondContact OD1-N 3.31Å; D432-A434 PolarHBondContact O-N 2.96Å; D432-A434 VanDerWaalsContact O-N 3.15Å; D432-A434 WeakPolarHBondContact OD1-CB 3.31Å; D432-A434 PolarHBondContact OD1-N 3.07Å; D432-K435 HydrophobicContact CB-CB 4.28Å; D432-K435 HydrophobicContact CB-CD 3.91Å; D432-K435 HydrophobicContact CB-CG 4.06Å; D432-K435 PolarHBondContact O-N 3.16Å; D432-K435 WeakPolarHBondContact OD2-CE 3.44Å; D432-K435 IonicContact OD2-NZ 3.47Å; D432-K435 PolarHBondContact OD2-NZ 2.95Å
433P94.9Very high94.2Very high35 Ų3558.9 Ų58.923%0.22730%0.297CS..G310 helixtrans-61.5-25.6-177.9-21.534.2000113.2E359 S372 E431 K435 R436E359-P433 HydrophobicContact CG-CG 4.01Å; S372-P433 WeakPolarHBondContact CB-O 3.16Å; S372-P433 PolarHBondContact OG-O 3.44Å; E431-P433 VanDerWaalsContact O-CD 3.27Å; E431-P433 WeakPolarHBondContact O-CD 3.27Å; P433-K435 VanDerWaalsContact C-N 3.28Å; P433-K435 PolarHBondContact O-N 3.47Å; P433-R436 PolarHBondContact O-N 3.08Å
434A94.3Very high94Very high84 Ų8454.6 Ų54.669%0.69428%0.284SS*.G310 helixtrans-73.8-20.4179.300000112.9D432D432-A434 PolarHBondContact O-N 2.96Å; D432-A434 VanDerWaalsContact O-N 3.15Å; D432-A434 WeakPolarHBondContact OD1-CB 3.31Å; D432-A434 PolarHBondContact OD1-N 3.07Å
435K95.9Very high93.9Very high135 Ų13558 Ų5859%0.58730%0.301SS*.G310 helixtrans-90.7-8178.7-66.6179.7-173.6155.60113.4N430 D432 P433N430-K435 HydrophobicContact CB-CB 4.33Å; D432-K435 HydrophobicContact CB-CB 4.28Å; D432-K435 HydrophobicContact CB-CD 3.91Å; D432-K435 HydrophobicContact CB-CG 4.06Å; D432-K435 PolarHBondContact O-N 3.16Å; D432-K435 WeakPolarHBondContact OD2-CE 3.44Å; D432-K435 IonicContact OD2-NZ 3.47Å; D432-K435 PolarHBondContact OD2-NZ 2.95Å; P433-K435 VanDerWaalsContact C-N 3.28Å; P433-K435 PolarHBondContact O-N 3.47Å
436R97.4Very high93.8Very high13 Ų1358 Ų585%0.04930%0.302CS..SBendtrans-72.6138.2176.7-61.2-179.1-162.2151.58.7109.6E359 S372 M375 C428 N430 P433E359-R436 IonicContact OE1-CZ 3.91Å; E359-R436 IonicContact OE1-NH1 2.71Å; E359-R436 PolarHBondContact OE1-NH1 3.19Å; E359-R436 IonicContact OE1-NH2 3.5Å; E359-R436 PolarHBondContact OE1-NH2 3.49Å; E359-R436 IonicContact OE2-CZ 2.73Å; E359-R436 IonicContact OE2-NH1 3.61Å; E359-R436 IonicContact OE2-NH2 3.43Å; E359-R436 PolarHBondContact OE2-NH2 3.34Å; S372-R436 VanDerWaalsContact O-CD 3.26Å; S372-R436 WeakPolarHBondContact O-CD 3.04Å; S372-R436 PolarHBondContact O-NH1 2.88Å; M375-R436 HydrophobicContact CB-CB 4.49Å; M375-R436 HydrophobicContact CG-CB 4.25Å; C428-R436 WeakPolarHBondContact O-CD 3.08Å; N430-R436 HydrophobicContact CB-CG 4.01Å; N430-R436 PolarHBondContact O-NE 2.76Å; N430-R436 PolarHBondContact O-NH2 2.84Å; N430-R436 VanDerWaalsContact O-NH2 3.17Å; P433-R436 PolarHBondContact O-N 3.08Å
437P97Very high93.5Very high21 Ų2155.8 Ų55.814%0.13629%0.294CS..PPolyproline II helixtrans-70.9166.2178.831.9-35.8000110.5M375 I427 M441 I442M375-P437 WeakPolarHBondContact CE-O 3.13Å; M375-P437 HydrophobicContact CG-CG 4.24Å; M375-P437 WeakPolarHBondContact CG-O 3.49Å; M375-P437 HydrophobicContact SD-CG 4.27Å; I427-P437 HydrophobicContact CG2-CG 3.91Å; P437-M441 HydrophobicContact CB-CB 4.43Å; P437-M441 HydrophobicContact CB-SD 4.49Å; P437-I442 HydrophobicContact CB-CG2 3.95Å; P437-I442 HydrophobicContact CG-CG2 3.73Å
438K94.5Very high93.2Very high113 Ų11359.1 Ų59.149%0.49131%0.305SS..PPolyproline II helixtrans-90.4161.6167.8-67.9178.1-175.8178.60110.3D440 M441 I442K438-D440 VanDerWaalsContact C-N 3.35Å; K438-D440 WeakPolarHBondContact CB-OD1 3.39Å; K438-D440 PolarHBondContact O-N 3.44Å; K438-M441 HydrophobicContact CB-CG 4.46Å; K438-M441 WeakPolarHBondContact O-CB 3.25Å; K438-M441 PolarHBondContact O-N 2.88Å; K438-M441 VanDerWaalsContact O-N 3.17Å; K438-I442 PolarHBondContact O-N 3.18Å
439F93.9Very high92.8Very high3 Ų360.5 Ų60.51%0.01331%0.312CS..Hα-helixtrans-63.2-37.9-178.2-79-77.7000113.3A302 M305 A306 H309 D374 M375 F378 M441 I442 V443A302-F439 HydrophobicContact CB-CD1 4Å; A302-F439 HydrophobicContact CB-CE1 4.46Å; M305-F439 HydrophobicContact CB-CD1 3.75Å; M305-F439 HydrophobicContact CB-CD2 3.67Å; M305-F439 HydrophobicContact CB-CE1 3.65Å; M305-F439 HydrophobicContact CB-CE2 3.56Å; M305-F439 HydrophobicContact CB-CG 3.77Å; M305-F439 HydrophobicContact CB-CZ 3.55Å; M305-F439 HydrophobicContact CE-CE2 4.11Å; M305-F439 HydrophobicContact CG-CE1 4.09Å; M305-F439 HydrophobicContact CG-CE2 4.12Å; M305-F439 HydrophobicContact CG-CZ 3.8Å; A306-F439 HydrophobicContact CB-CB 3.72Å; H309-F439 AromaticContact CE1-CD2 3.48Å; H309-F439 VanDerWaalsContact CE1-CD2 3.48Å; H309-F439 WeakPolarHBondContact CE1-CD2 3.48Å; H309-F439 AromaticContact CE1-CE2 3.52Å; H309-F439 AromaticContact ND1-CD2 3.59Å; D374-F439 HydrophobicContact CB-CE2 4.05Å; M375-F439 HydrophobicContact CE-CB 4.27Å; M375-F439 HydrophobicContact CE-CD1 3.61Å; M375-F439 HydrophobicContact CE-CD2 3.73Å; M375-F439 HydrophobicContact CE-CE1 3.76Å; M375-F439 HydrophobicContact CE-CE2 3.87Å; M375-F439 HydrophobicContact CE-CG 3.59Å; M375-F439 HydrophobicContact CE-CZ 3.89Å; M375-F439 HydrophobicContact SD-CE1 4.33Å; M375-F439 HydrophobicContact SD-CZ 4.43Å; F378-F439 HydrophobicContact CB-CE1 3.73Å; F378-F439 HydrophobicContact CB-CZ 3.71Å; F378-F439 HydrophobicContact CD1-CE1 4.16Å; F378-F439 AromaticContact CD2-CE1 3.89Å; F378-F439 HydrophobicContact CD2-CE1 3.89Å; F378-F439 AromaticContact CG-CE1 3.64Å; F378-F439 HydrophobicContact CG-CE1 3.64Å; F378-F439 HydrophobicContact CG-CZ 4.16Å; F439-M441 PolarHBondContact O-N 3.09Å; F439-I442 HydrophobicContact CD1-CD1 3.86Å; F439-I442 HydrophobicContact CD1-CG1 4.33Å; F439-I442 HydrophobicContact CE1-CD1 4.25Å; F439-I442 VanDerWaalsContact O-CG1 3.29Å; F439-I442 WeakPolarHBondContact O-CG1 3.36Å; F439-I442 PolarHBondContact O-N 3.13Å; F439-I442 VanDerWaalsContact O-N 3.11Å; F439-V443 WeakPolarHBondContact O-CG2 3.37Å; F439-V443 PolarHBondContact O-N 3Å
440D86Confident92.2Very high97 Ų9762.6 Ų62.652%0.51932%0.322SS..Hα-helixtrans-56.8-31.1173.460.3-17.5000113.4K438 P444K438-D440 VanDerWaalsContact C-N 3.35Å; K438-D440 WeakPolarHBondContact CB-OD1 3.39Å; K438-D440 PolarHBondContact O-N 3.44Å; D440-P444 WeakPolarHBondContact O-CD 3.31Å
441M92Very high90.9Very high111 Ų11166.9 Ų66.955%0.54734%0.344SS..Hα-helixtrans-77.9-29.1177.5-62179.6177.400113.3P437 K438 F439P437-M441 HydrophobicContact CB-CB 4.43Å; P437-M441 HydrophobicContact CB-SD 4.49Å; K438-M441 HydrophobicContact CB-CG 4.46Å; K438-M441 WeakPolarHBondContact O-CB 3.25Å; K438-M441 PolarHBondContact O-N 2.88Å; K438-M441 VanDerWaalsContact O-N 3.17Å; F439-M441 PolarHBondContact O-N 3.09Å
442I95.2Very high89.4Confident3 Ų371.6 Ų71.62%0.01536%0.363CS..Hα-helixtrans-95.4-24.6-175.663.4159.6000113.5A302 M375 F378 L424 P437 K438 F439 I445 L446A302-I442 HydrophobicContact CB-CD1 4.14Å; M375-I442 HydrophobicContact CE-CD1 3.72Å; M375-I442 HydrophobicContact CE-CG1 4.14Å; M375-I442 HydrophobicContact SD-CD1 3.82Å; F378-I442 HydrophobicContact CD1-CD1 3.79Å; F378-I442 HydrophobicContact CE1-CD1 3.4Å; F378-I442 VanDerWaalsContact CE1-CD1 3.4Å; F378-I442 HydrophobicContact CZ-CD1 4Å; L424-I442 HydrophobicContact CD1-CB 4.27Å; L424-I442 HydrophobicContact CD1-CG2 3.86Å; P437-I442 HydrophobicContact CB-CG2 3.95Å; P437-I442 HydrophobicContact CG-CG2 3.73Å; K438-I442 PolarHBondContact O-N 3.18Å; F439-I442 HydrophobicContact CD1-CD1 3.86Å; F439-I442 HydrophobicContact CD1-CG1 4.33Å; F439-I442 HydrophobicContact CE1-CD1 4.25Å; F439-I442 VanDerWaalsContact O-CG1 3.29Å; F439-I442 WeakPolarHBondContact O-CG1 3.36Å; F439-I442 PolarHBondContact O-N 3.13Å; F439-I442 VanDerWaalsContact O-N 3.11Å; I442-I445 WeakPolarHBondContact O-CA 3.34Å; I442-I445 WeakPolarHBondContact O-CB 3.4Å; I442-I445 PolarHBondContact O-N 2.74Å; I442-L446 HydrophobicContact CD1-CD1 4.37Å; I442-L446 PolarHBondContact O-N 3.05Å
443V90.7Very high89.1Confident19 Ų1972.2 Ų72.212%0.11537%0.366CS..Hα-helixtrans-54.2-50.5178163.80000111.6L299 A302 A306 F439 I445 L446 E447L299-V443 HydrophobicContact CD1-CG1 4.02Å; A302-V443 HydrophobicContact CB-CG2 3.91Å; A306-V443 HydrophobicContact CB-CG2 4.41Å; F439-V443 WeakPolarHBondContact O-CG2 3.37Å; F439-V443 PolarHBondContact O-N 3Å; V443-I445 PolarHBondContact O-N 3.33Å; V443-I445 VanDerWaalsContact O-N 3.16Å; V443-L446 PolarHBondContact O-N 2.67Å; V443-L446 VanDerWaalsContact O-N 3.08Å; V443-E447 HydrophobicContact CG1-CG 4.45Å; V443-E447 WeakPolarHBondContact O-CG 3.35Å; V443-E447 PolarHBondContact O-N 2.75Å
444P89.3Confident88.8Confident57 Ų5774.2 Ų74.237%0.3737%0.373SS..Hα-helixtrans-64.6-23.3178-2233.8000114.2D440 K448D440-P444 WeakPolarHBondContact O-CD 3.31Å; P444-K448 WeakPolarHBondContact O-CG 3.11Å; P444-K448 PolarHBondContact O-N 3.18Å
445I92.4Very high88.5Confident79 Ų7973.6 Ų73.641%0.40536%0.355SS..Hα-helixtrans-73.5-44.3175.9-54.6177.9000109.1I442 V443 K448 M449I442-I445 WeakPolarHBondContact O-CA 3.34Å; I442-I445 WeakPolarHBondContact O-CB 3.4Å; I442-I445 PolarHBondContact O-N 2.74Å; V443-I445 PolarHBondContact O-N 3.33Å; V443-I445 VanDerWaalsContact O-N 3.16Å; I445-K448 PolarHBondContact O-N 3.03Å; I445-M449 HydrophobicContact CG2-CE 3.65Å; I445-M449 WeakPolarHBondContact O-CG 3.4Å; I445-M449 PolarHBondContact O-N 3.45Å; I445-M449 VanDerWaalsContact O-N 3.15Å
446L91.5Very high88.1Confident2 Ų270 Ų701%0.0134%0.341CS..Hα-helixtrans-67.1-39.4178.1-70.5166.7000112A298 L299 A302 F378 L424 I442 V443 K448 M449 Q450A298-L446 HydrophobicContact CB-CD2 4.19Å; L299-L446 HydrophobicContact CB-CB 4.11Å; L299-L446 HydrophobicContact CD1-CB 3.84Å; A302-L446 HydrophobicContact CB-CD1 3.62Å; F378-L446 HydrophobicContact CZ-CD1 3.86Å; L424-L446 HydrophobicContact CD2-CD2 3.72Å; L424-L446 HydrophobicContact CD2-CG 4.23Å; I442-L446 HydrophobicContact CD1-CD1 4.37Å; I442-L446 PolarHBondContact O-N 3.05Å; V443-L446 PolarHBondContact O-N 2.67Å; V443-L446 VanDerWaalsContact O-N 3.08Å; L446-K448 VanDerWaalsContact C-N 3.34Å; L446-K448 PolarHBondContact O-N 3.26Å; L446-M449 WeakPolarHBondContact O-CB 3.41Å; L446-M449 PolarHBondContact O-N 3.31Å; L446-Q450 PolarHBondContact O-N 3.05Å
447E89.4Confident87.5Confident87 Ų8773.6 Ų73.641%0.40736%0.36SS..Hα-helixtrans-54.9-49.6172.2-71175.6157.300110.8L299 V443 M449 Q450 D451L299-E447 HydrophobicContact CD1-CG 3.75Å; L299-E447 HydrophobicContact CD2-CG 4.01Å; V443-E447 HydrophobicContact CG1-CG 4.45Å; V443-E447 WeakPolarHBondContact O-CG 3.35Å; V443-E447 PolarHBondContact O-N 2.75Å; E447-M449 PolarHBondContact O-N 3.34Å; E447-Q450 WeakPolarHBondContact O-CB 3.45Å; E447-Q450 PolarHBondContact O-N 3.14Å; E447-D451 PolarHBondContact O-N 2.97Å
448K89.3Confident86.8Confident145 Ų14577.1 Ų77.163%0.6337%0.374SS*.Hα-helixtrans-65-22176.7-71.5176.7-176.4-179.90114.5P444 I445 L446 K452P444-K448 WeakPolarHBondContact O-CG 3.11Å; P444-K448 PolarHBondContact O-N 3.18Å; I445-K448 PolarHBondContact O-N 3.03Å; L446-K448 VanDerWaalsContact C-N 3.34Å; L446-K448 PolarHBondContact O-N 3.26Å; K448-K452 WeakPolarHBondContact O-CG 3.48Å
449M87.6Confident86.3Confident29 Ų2974.5 Ų74.514%0.14337%0.366CS..Hα-helixtrans-82.7-22.4174.1-69-169.6-162.200112V295 H420 I421 L424 I445 L446 E447V295-M449 HydrophobicContact CG1-CB 3.83Å; H420-M449 HydrophobicContact CB-CE 3.71Å; H420-M449 HydrophobicContact CB-SD 4.26Å; I421-M449 HydrophobicContact CG1-SD 4.06Å; L424-M449 HydrophobicContact CD2-CE 4.27Å; I445-M449 HydrophobicContact CG2-CE 3.65Å; I445-M449 WeakPolarHBondContact O-CG 3.4Å; I445-M449 PolarHBondContact O-N 3.45Å; I445-M449 VanDerWaalsContact O-N 3.15Å; L446-M449 WeakPolarHBondContact O-CB 3.41Å; L446-M449 PolarHBondContact O-N 3.31Å; E447-M449 PolarHBondContact O-N 3.34Å
450Q81Confident85.7Confident69 Ų6980 Ų8032%0.32239%0.393SS..Hα-helixtrans-76.7-33.4176.3-170.9-179.81400111.8V295 L446 E447 K452V295-Q450 HydrophobicContact CG1-CB 4.36Å; L446-Q450 PolarHBondContact O-N 3.05Å; E447-Q450 WeakPolarHBondContact O-CB 3.45Å; E447-Q450 PolarHBondContact O-N 3.14Å; Q450-K452 PolarHBondContact O-N 2.89Å
451D69.6Low85.7Confident142 Ų14278.6 Ų78.676%0.75938%0.383SS*.  trans-76.7-3.2179.3-64.1-29.1000114.2E447E447-D451 PolarHBondContact O-N 2.97Å
452K60.2Low85.1Confident200 Ų20075.6 Ų75.687%0.8737%0.368SS*.  trans-114.30-177.7-71.7-177.3179.1-174.20111K448 Q450K448-K452 WeakPolarHBondContact O-CG 3.48Å; Q450-K452 PolarHBondContact O-N 2.89Å

Retrieved 452 of 452 residues in 260.1 ms (Link to these results)

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