A0A087XTY9_POEFO Loading...

Troponin C, slow skeletal and cardiac muscles

Troponin is the central regulatory protein of striated muscle contraction. Tn consists of three components: Tn-I which is the inhibitor of actomyosin ATPase, Tn-T which contains the binding site for tropomyosin and Tn-C. The binding of calcium to Tn-C abolishes the inhibitory action of Tn on actin filaments.

AlphaFold DB , UniProt , Accession A0A087XTY9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 162 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
1M50Low64.8Low126 Ų12689.6 Ų89.662%0.62145%0.454SS*.  099.80-141.2165.9-154.700110.7D3 K6 E66M1-D3 PolarHBondContact O-N 2.83Å; M1-K6 HydrophobicContact CE-CD 3.56Å; M1-K6 VanDerWaalsContact CE-CE 3.43Å; M1-K6 HydrophobicContact CE-CG 3.99Å; M1-K6 HydrophobicContact SD-CD 3.64Å; M1-K6 PolarHBondContact SD-NZ 2.83Å; M1-E66 WeakPolarHBondContact CA-OE1 3.5Å; M1-E66 WeakPolarHBondContact CA-OE2 3.4Å; M1-E66 VanDerWaalsContact N-CD 3.28Å; M1-E66 PolarHBondContact N-OE1 3.43Å; M1-E66 PolarHBondContact N-OE2 3.34Å; M1-E66 VanDerWaalsContact N-OE2 3.14Å
2N53.6Low65.8Low100 Ų10083.9 Ų83.954%0.53543%0.425SS..  trans-73.6104.6168.9-83.8-48.9000108.8I4 Y5N2-I4 PolarHBondContact O-N 2.87Å; N2-Y5 HydrophobicContact CB-CD2 3.59Å; N2-Y5 HydrophobicContact CB-CE2 3.79Å; N2-Y5 PolarHBondContact O-N 2.89Å; N2-Y5 VanDerWaalsContact O-N 3.1Å
3D59.6Low67Low134 Ų13482.8 Ų82.872%0.71743%0.425SS*.Hα-helixtrans-49.6-24.8-173.1-73.4-84.1000115.3M1 Y5 A7M1-D3 PolarHBondContact O-N 2.83Å; D3-Y5 PolarHBondContact O-N 3.25Å; D3-A7 WeakPolarHBondContact O-CB 2.96Å; D3-A7 PolarHBondContact O-N 2.82Å
4I58.6Low68.1Low116 Ų11686.1 Ų86.160%0.59544%0.444SS*.Hα-helixtrans-67.3-35.9-178.1-62.3171000112.5N2 A8N2-I4 PolarHBondContact O-N 2.87Å; I4-A8 PolarHBondContact O-N 3.14Å
5Y64Low69Low42 Ų4290.7 Ų90.717%0.16546%0.463CS..Hα-helixtrans-82.4-33.8-177-57.5-74.4000111.9N2 D3 A8 V9 V80 R84N2-Y5 HydrophobicContact CB-CD2 3.59Å; N2-Y5 HydrophobicContact CB-CE2 3.79Å; N2-Y5 PolarHBondContact O-N 2.89Å; N2-Y5 VanDerWaalsContact O-N 3.1Å; D3-Y5 PolarHBondContact O-N 3.25Å; Y5-A8 PolarHBondContact O-N 2.8Å; Y5-A8 VanDerWaalsContact O-N 3.13Å; Y5-V9 WeakPolarHBondContact O-CG2 3.39Å; Y5-V9 PolarHBondContact O-N 3.05Å; Y5-V80 HydrophobicContact CG-CG1 4.48Å; Y5-R84 HydrophobicContact CD1-CG 3.45Å; Y5-R84 VanDerWaalsContact CD1-CG 3.45Å; Y5-R84 HydrophobicContact CE1-CG 3.34Å; Y5-R84 HydrophobicContact CG-CG 4.18Å
6K66.8Low69.4Low100 Ų10089.5 Ų89.544%0.43546%0.455SS..Hα-helixtrans-61.6-46.3172.9-156.4-178.5-1661660111.1M1 A8 V9 E10M1-K6 HydrophobicContact CE-CD 3.56Å; M1-K6 VanDerWaalsContact CE-CE 3.43Å; M1-K6 HydrophobicContact CE-CG 3.99Å; M1-K6 HydrophobicContact SD-CD 3.64Å; M1-K6 PolarHBondContact SD-NZ 2.83Å; K6-A8 PolarHBondContact O-N 3.07Å; K6-V9 PolarHBondContact O-N 2.92Å; K6-E10 WeakPolarHBondContact O-CG 3.36Å; K6-E10 PolarHBondContact O-N 2.84Å
7A68.2Low70Confident39 Ų3988.2 Ų88.232%0.32245%0.445SS..Hα-helixtrans-62.7-26.4174.700000113.6D3 Q11D3-A7 WeakPolarHBondContact O-CB 2.96Å; D3-A7 PolarHBondContact O-N 2.82Å; A7-Q11 WeakPolarHBondContact O-CG 3.38Å; A7-Q11 PolarHBondContact O-N 3.45Å; A7-Q11 PolarHBondContact O-NE2 3.26Å
8A69.2Low70.6Confident12 Ų1289.2 Ų89.210%0.09945%0.452CS..Hα-helixtrans-80.2-38.9176.200000112I4 Y5 K6 E10 Q11 L12 V83I4-A8 PolarHBondContact O-N 3.14Å; Y5-A8 PolarHBondContact O-N 2.8Å; Y5-A8 VanDerWaalsContact O-N 3.13Å; K6-A8 PolarHBondContact O-N 3.07Å; A8-E10 VanDerWaalsContact C-N 3.27Å; A8-E10 PolarHBondContact O-N 3.33Å; A8-Q11 PolarHBondContact O-N 3.21Å; A8-Q11 VanDerWaalsContact O-N 3.14Å; A8-L12 PolarHBondContact O-N 2.68Å; A8-V83 HydrophobicContact CB-CG1 3.46Å; A8-V83 VanDerWaalsContact CB-CG1 3.46Å
9V73.3Confident71Confident14 Ų1491.8 Ų91.89%0.08546%0.462CS..Hα-helixtrans-62-36.5170.4174.10000111.4Y5 K6 Q11 L12 K17 L79 V80 V83Y5-V9 WeakPolarHBondContact O-CG2 3.39Å; Y5-V9 PolarHBondContact O-N 3.05Å; K6-V9 PolarHBondContact O-N 2.92Å; V9-Q11 PolarHBondContact O-N 3.16Å; V9-L12 HydrophobicContact CG1-CD1 4.45Å; V9-L12 WeakPolarHBondContact O-CB 3.47Å; V9-L12 PolarHBondContact O-N 2.92Å; V9-K17 WeakPolarHBondContact O-CE 3.3Å; V9-L79 HydrophobicContact CG1-CB 3.88Å; V9-L79 HydrophobicContact CG1-CD1 3.96Å; V9-L79 HydrophobicContact CG2-CB 4.02Å; V9-V80 HydrophobicContact CG2-CG2 3.87Å; V9-V83 HydrophobicContact CG2-CB 4.31Å; V9-V83 HydrophobicContact CG2-CG2 3.92Å
10E75.6Confident71.5Confident145 Ų14588 Ų8868%0.67844%0.443SS*.Hα-helixtrans-66.2-25.2175.3-74-174.4111.600113.4K6 A8K6-E10 WeakPolarHBondContact O-CG 3.36Å; K6-E10 PolarHBondContact O-N 2.84Å; A8-E10 VanDerWaalsContact C-N 3.27Å; A8-E10 PolarHBondContact O-N 3.33Å
11Q73.9Confident72.1Confident158 Ų15888.7 Ų88.774%0.73844%0.443SS*.THydrogen-bonded Turntrans-85.9-8177.8-75.7175.775.400114A7 A8 V9A7-Q11 WeakPolarHBondContact O-CG 3.38Å; A7-Q11 PolarHBondContact O-N 3.45Å; A7-Q11 PolarHBondContact O-NE2 3.26Å; A8-Q11 PolarHBondContact O-N 3.21Å; A8-Q11 VanDerWaalsContact O-N 3.14Å; V9-Q11 PolarHBondContact O-N 3.16Å
12L76.7Confident73.7Confident21 Ų2185.4 Ų85.411%0.1144%0.435CS..  trans-65.8136.4176.2-67.5174.8000111.3A8 V9 Q16 K17 F20 L79 V83A8-L12 PolarHBondContact O-N 2.68Å; V9-L12 HydrophobicContact CG1-CD1 4.45Å; V9-L12 WeakPolarHBondContact O-CB 3.47Å; V9-L12 PolarHBondContact O-N 2.92Å; L12-Q16 HydrophobicContact CB-CB 4.47Å; L12-Q16 HydrophobicContact CD2-CB 4.25Å; L12-K17 HydrophobicContact CB-CD 4.44Å; L12-K17 HydrophobicContact CB-CG 3.87Å; L12-K17 HydrophobicContact CD1-CG 4.39Å; L12-K17 VanDerWaalsContact O-CE 3.31Å; L12-K17 WeakPolarHBondContact O-CE 3.36Å; L12-F20 HydrophobicContact CD1-CD2 3.94Å; L12-F20 HydrophobicContact CD1-CE2 3.71Å; L12-F20 HydrophobicContact CD2-CE2 3.85Å; L12-F20 HydrophobicContact CG-CE2 4.4Å; L12-L79 HydrophobicContact CD1-CD2 4.1Å; L12-V83 HydrophobicContact CD1-CG2 3.7Å; L12-V83 HydrophobicContact CD2-CG2 4.13Å; L12-V83 HydrophobicContact CG-CG2 4.11Å
13T82Confident75Confident70 Ų7082 Ų8243%0.42942%0.422SS..  trans-70.8160.4174.969.70000111.4E15 Q16 K17T13-E15 PolarHBondContact O-N 3.14Å; T13-Q16 VanDerWaalsContact N-OE1 3.09Å; T13-Q16 PolarHBondContact O-N 2.98Å; T13-Q16 WeakPolarHBondContact OG1-CG 3.38Å; T13-Q16 PolarHBondContact OG1-N 2.76Å; T13-Q16 PolarHBondContact OG1-OE1 3.25Å; T13-K17 WeakPolarHBondContact O-CG 3.06Å; T13-K17 PolarHBondContact O-N 2.7Å
14D82.4Confident76.2Confident129 Ų12976.5 Ų76.569%0.6939%0.391SS*.Hα-helixtrans-59.4-30.7174.9-65-69.4000112.4N18D14-N18 WeakPolarHBondContact O-CB 3.31Å; D14-N18 VanDerWaalsContact O-CG 3.29Å; D14-N18 PolarHBondContact O-N 3.14Å; D14-N18 PolarHBondContact O-ND2 2.87Å
15E81.3Confident77.4Confident155 Ų15575.4 Ų75.472%0.72439%0.387SS*.Hα-helixtrans-67.6-49.9175.2-69.7-179.299.400111.2T13 K17 N18 E19T13-E15 PolarHBondContact O-N 3.14Å; E15-K17 PolarHBondContact O-N 3.02Å; E15-N18 WeakPolarHBondContact O-CB 3.29Å; E15-N18 PolarHBondContact O-N 3.37Å; E15-N18 VanDerWaalsContact O-N 3.09Å; E15-E19 PolarHBondContact O-N 3.1Å
16Q74.8Confident78.3Confident71 Ų7178 Ų7833%0.33240%0.403SS..Hα-helixtrans-61.7-43.4177.3-69.7174.2-54.200111.7L12 T13 N18 E19 F20L12-Q16 HydrophobicContact CB-CB 4.47Å; L12-Q16 HydrophobicContact CD2-CB 4.25Å; T13-Q16 VanDerWaalsContact N-OE1 3.09Å; T13-Q16 PolarHBondContact O-N 2.98Å; T13-Q16 WeakPolarHBondContact OG1-CG 3.38Å; T13-Q16 PolarHBondContact OG1-N 2.76Å; T13-Q16 PolarHBondContact OG1-OE1 3.25Å; Q16-N18 VanDerWaalsContact C-N 3.27Å; Q16-N18 PolarHBondContact O-N 3.46Å; Q16-E19 PolarHBondContact O-N 3.21Å; Q16-F20 HydrophobicContact CB-CE2 4.11Å; Q16-F20 WeakPolarHBondContact O-CD2 3.39Å; Q16-F20 WeakPolarHBondContact O-CG 3.45Å; Q16-F20 PolarHBondContact O-N 3.14Å
17K79.2Confident78.9Confident68 Ų6873.8 Ų73.830%0.29638%0.384SS..Hα-helixtrans-60.3-37.6175-72.5179.3-175.6173.30111.7V9 L12 T13 E15 K21V9-K17 WeakPolarHBondContact O-CE 3.3Å; L12-K17 HydrophobicContact CB-CD 4.44Å; L12-K17 HydrophobicContact CB-CG 3.87Å; L12-K17 HydrophobicContact CD1-CG 4.39Å; L12-K17 VanDerWaalsContact O-CE 3.31Å; L12-K17 WeakPolarHBondContact O-CE 3.36Å; T13-K17 WeakPolarHBondContact O-CG 3.06Å; T13-K17 PolarHBondContact O-N 2.7Å; E15-K17 PolarHBondContact O-N 3.02Å; K17-K21 WeakPolarHBondContact O-CB 3.28Å; K17-K21 PolarHBondContact O-N 3.24Å
18N81.3Confident79.6Confident105 Ų10572.9 Ų72.956%0.56137%0.374SS*.Hα-helixtrans-69.1-38.3175.3-82.9-39000112.6D14 E15 Q16 K21 A22D14-N18 WeakPolarHBondContact O-CB 3.31Å; D14-N18 VanDerWaalsContact O-CG 3.29Å; D14-N18 PolarHBondContact O-N 3.14Å; D14-N18 PolarHBondContact O-ND2 2.87Å; E15-N18 WeakPolarHBondContact O-CB 3.29Å; E15-N18 PolarHBondContact O-N 3.37Å; E15-N18 VanDerWaalsContact O-N 3.09Å; Q16-N18 VanDerWaalsContact C-N 3.27Å; Q16-N18 PolarHBondContact O-N 3.46Å; N18-K21 PolarHBondContact O-N 2.85Å; N18-A22 WeakPolarHBondContact O-CB 3.21Å; N18-A22 PolarHBondContact O-N 2.98Å
19E79.3Confident80.2Confident140 Ų14079 Ų7965%0.65440%0.401SS*.Hα-helixtrans-64.5-45.8174.1-70.1-169.3100.300111.5E15 Q16 K21 A22 A23E15-E19 PolarHBondContact O-N 3.1Å; Q16-E19 PolarHBondContact O-N 3.21Å; E19-K21 VanDerWaalsContact C-N 3.3Å; E19-K21 PolarHBondContact O-N 3.33Å; E19-A22 PolarHBondContact O-N 2.9Å; E19-A23 PolarHBondContact O-N 3.24Å
20F81.1Confident80.3Confident15 Ų1583 Ų837%0.06642%0.422CS..Hα-helixtrans-63.7-37.3174-64.1-47.4000112.2L12 Q16 A22 A23 F24 F78 L79 M82 M86L12-F20 HydrophobicContact CD1-CD2 3.94Å; L12-F20 HydrophobicContact CD1-CE2 3.71Å; L12-F20 HydrophobicContact CD2-CE2 3.85Å; L12-F20 HydrophobicContact CG-CE2 4.4Å; Q16-F20 HydrophobicContact CB-CE2 4.11Å; Q16-F20 WeakPolarHBondContact O-CD2 3.39Å; Q16-F20 WeakPolarHBondContact O-CG 3.45Å; Q16-F20 PolarHBondContact O-N 3.14Å; F20-A22 VanDerWaalsContact C-N 3.34Å; F20-A23 PolarHBondContact O-N 2.97Å; F20-F24 VanDerWaalsContact O-CB 3.3Å; F20-F24 WeakPolarHBondContact O-CB 3.38Å; F20-F24 PolarHBondContact O-N 2.84Å; F20-F78 HydrophobicContact CB-CE1 4.33Å; F20-F78 WeakPolarHBondContact O-CE1 3.37Å; F20-L79 HydrophobicContact CB-CD2 3.59Å; F20-L79 HydrophobicContact CD2-CD2 3.6Å; F20-L79 HydrophobicContact CG-CD2 3.89Å; F20-M82 HydrophobicContact CD1-CB 3.92Å; F20-M82 HydrophobicContact CD1-CG 3.89Å; F20-M82 HydrophobicContact CD1-SD 4.4Å; F20-M82 HydrophobicContact CE1-CB 3.8Å; F20-M82 HydrophobicContact CE1-CG 4.13Å; F20-M82 HydrophobicContact CE1-SD 4.35Å; F20-M82 HydrophobicContact CZ-CB 4.29Å; F20-M86 HydrophobicContact CE1-CE 3.61Å; F20-M86 HydrophobicContact CE1-SD 4.14Å; F20-M86 HydrophobicContact CZ-CE 3.5Å; F20-M86 VanDerWaalsContact CZ-CE 3.5Å; F20-M86 HydrophobicContact CZ-SD 3.55Å; F20-M86 VanDerWaalsContact CZ-SD 3.55Å
21K83.1Confident80.5Confident102 Ų10277.2 Ų77.244%0.44340%0.399SS..Hα-helixtrans-63.9-40.9174.5-170.1178.5-177-57.90111.6K17 N18 E19 F24 D25 F75K17-K21 WeakPolarHBondContact O-CB 3.28Å; K17-K21 PolarHBondContact O-N 3.24Å; N18-K21 PolarHBondContact O-N 2.85Å; E19-K21 VanDerWaalsContact C-N 3.3Å; E19-K21 PolarHBondContact O-N 3.33Å; K21-F24 PolarHBondContact O-N 3.39Å; K21-D25 WeakPolarHBondContact O-CB 3.12Å; K21-D25 PolarHBondContact O-N 3.37Å; K21-F75 HydrophobicContact CB-CE2 3.91Å; K21-F75 HydrophobicContact CB-CZ 3.73Å; K21-F75 HydrophobicContact CG-CE2 4.2Å; K21-F75 HydrophobicContact CG-CZ 4.09Å
22A83.8Confident80.6Confident57 Ų5779.6 Ų79.647%0.47141%0.41SS..Hα-helixtrans-65.2-41.2175.400000111.5N18 E19 F20 D25 I26N18-A22 WeakPolarHBondContact O-CB 3.21Å; N18-A22 PolarHBondContact O-N 2.98Å; E19-A22 PolarHBondContact O-N 2.9Å; F20-A22 VanDerWaalsContact C-N 3.34Å; A22-D25 PolarHBondContact O-N 2.98Å; A22-I26 WeakPolarHBondContact O-CG1 3.45Å; A22-I26 PolarHBondContact O-N 3.4Å
23A81.8Confident80.5Confident30 Ų3083.2 Ų83.225%0.24843%0.43CS..Hα-helixtrans-61.2-51.5172.900000110.7E19 F20 D25 I26 F27 F78E19-A23 PolarHBondContact O-N 3.24Å; F20-A23 PolarHBondContact O-N 2.97Å; A23-D25 VanDerWaalsContact C-N 3.3Å; A23-D25 PolarHBondContact O-N 2.98Å; A23-I26 WeakPolarHBondContact O-CA 3.19Å; A23-I26 VanDerWaalsContact O-CB 3.26Å; A23-I26 WeakPolarHBondContact O-CB 3.28Å; A23-I26 PolarHBondContact O-N 3.4Å; A23-F27 HydrophobicContact CB-CE2 4.36Å; A23-F27 WeakPolarHBondContact O-CD2 3.47Å; A23-F27 PolarHBondContact O-N 3.05Å; A23-F27 VanDerWaalsContact O-N 3.14Å; A23-F78 HydrophobicContact CB-CZ 4.26Å
24F83.3Confident80.4Confident18 Ų1881.6 Ų81.68%0.07943%0.426CS..Hα-helixtrans-53.6-45.4178-174.5-96000112F20 K21 I26 F27 V28 I36 F75 F78F20-F24 VanDerWaalsContact O-CB 3.3Å; F20-F24 WeakPolarHBondContact O-CB 3.38Å; F20-F24 PolarHBondContact O-N 2.84Å; K21-F24 PolarHBondContact O-N 3.39Å; F24-I26 PolarHBondContact O-N 3.38Å; F24-F27 WeakPolarHBondContact O-CA 3.27Å; F24-F27 WeakPolarHBondContact O-CB 3.13Å; F24-F27 PolarHBondContact O-N 2.74Å; F24-V28 HydrophobicContact CD1-CG1 4.12Å; F24-V28 HydrophobicContact CD1-CG2 3.89Å; F24-V28 HydrophobicContact CE1-CB 4.31Å; F24-V28 HydrophobicContact CE1-CG1 3.61Å; F24-V28 HydrophobicContact CE1-CG2 3.76Å; F24-V28 HydrophobicContact CE2-CG1 4.05Å; F24-V28 HydrophobicContact CZ-CG1 3.57Å; F24-V28 WeakPolarHBondContact O-CG2 3.39Å; F24-V28 PolarHBondContact O-N 2.97Å; F24-I36 HydrophobicContact CD2-CD1 3.4Å; F24-I36 HydrophobicContact CD2-CG1 3.98Å; F24-I36 HydrophobicContact CE2-CD1 3.48Å; F24-I36 VanDerWaalsContact CE2-CD1 3.48Å; F24-I36 HydrophobicContact CE2-CG1 3.61Å; F24-I36 HydrophobicContact CG-CD1 4.43Å; F24-I36 HydrophobicContact CZ-CG1 4.3Å; F24-F75 HydrophobicContact CB-CD2 3.79Å; F24-F75 HydrophobicContact CB-CE2 3.98Å; F24-F75 HydrophobicContact CD1-CB 4.37Å; F24-F75 AromaticContact CD1-CD2 3.83Å; F24-F75 HydrophobicContact CD1-CD2 3.83Å; F24-F75 HydrophobicContact CD1-CG 4.48Å; F24-F75 HydrophobicContact CD2-CB 4.49Å; F24-F75 AromaticContact CD2-CD2 3.86Å; F24-F75 HydrophobicContact CD2-CD2 3.86Å; F24-F75 HydrophobicContact CE1-CB 4.05Å; F24-F75 HydrophobicContact CE1-CD2 4.35Å; F24-F75 HydrophobicContact CE2-CB 4.18Å; F24-F75 HydrophobicContact CE2-CD2 4.39Å; F24-F75 AromaticContact CG-CD2 3.55Å; F24-F75 HydrophobicContact CG-CD2 3.55Å; F24-F75 HydrophobicContact CG-CE2 4.25Å; F24-F75 HydrophobicContact CZ-CB 3.95Å; F24-F78 HydrophobicContact CB-CD1 3.93Å; F24-F78 HydrophobicContact CB-CE1 3.79Å; F24-F78 HydrophobicContact CB-CZ 4.32Å; F24-F78 HydrophobicContact CD2-CB 3.63Å; F24-F78 AromaticContact CD2-CD1 3.65Å; F24-F78 HydrophobicContact CD2-CD1 3.65Å; F24-F78 HydrophobicContact CD2-CD2 4.05Å; F24-F78 HydrophobicContact CD2-CE1 4.22Å; F24-F78 AromaticContact CD2-CG 3.52Å; F24-F78 HydrophobicContact CD2-CG 3.52Å; F24-F78 HydrophobicContact CE2-CB 3.82Å; F24-F78 HydrophobicContact CE2-CG 4.19Å; F24-F78 HydrophobicContact CG-CD1 4.25Å
25D84.6Confident80.5Confident92 Ų9276.8 Ų76.849%0.49240%0.403SS..Hα-helixtrans-57.4-34.3177.1-145.2-98.3000111.9K21 A22 A23 Q29K21-D25 WeakPolarHBondContact O-CB 3.12Å; K21-D25 PolarHBondContact O-N 3.37Å; A22-D25 PolarHBondContact O-N 2.98Å; A23-D25 VanDerWaalsContact C-N 3.3Å; A23-D25 PolarHBondContact O-N 2.98Å; D25-Q29 WeakPolarHBondContact O-CA 3.49Å; D25-Q29 WeakPolarHBondContact O-CB 3.2Å; D25-Q29 PolarHBondContact O-N 2.89Å
26I82.5Confident80.6Confident98 Ų9869.5 Ų69.550%0.50337%0.369SS..Hα-helixtrans-69.8-40173.9-62164.5000111.2A22 A23 F24A22-I26 WeakPolarHBondContact O-CG1 3.45Å; A22-I26 PolarHBondContact O-N 3.4Å; A23-I26 WeakPolarHBondContact O-CA 3.19Å; A23-I26 VanDerWaalsContact O-CB 3.26Å; A23-I26 WeakPolarHBondContact O-CB 3.28Å; A23-I26 PolarHBondContact O-N 3.4Å; F24-I26 PolarHBondContact O-N 3.38Å
27F79.3Confident81.2Confident11 Ų1167.7 Ų67.75%0.04836%0.364CS..Hα-helixtrans-66.6-42.2176.1-70.7-94.2000111.6A23 F24 I36 E40 L41 V44 F78 M82A23-F27 HydrophobicContact CB-CE2 4.36Å; A23-F27 WeakPolarHBondContact O-CD2 3.47Å; A23-F27 PolarHBondContact O-N 3.05Å; A23-F27 VanDerWaalsContact O-N 3.14Å; F24-F27 WeakPolarHBondContact O-CA 3.27Å; F24-F27 WeakPolarHBondContact O-CB 3.13Å; F24-F27 PolarHBondContact O-N 2.74Å; F27-I36 HydrophobicContact CB-CD1 3.55Å; F27-I36 HydrophobicContact CB-CG1 3.69Å; F27-I36 HydrophobicContact CB-CG2 4.43Å; F27-I36 HydrophobicContact CD1-CD1 4.28Å; F27-I36 HydrophobicContact CD1-CG2 4.33Å; F27-I36 HydrophobicContact CD2-CD1 4.26Å; F27-I36 HydrophobicContact CG-CD1 3.82Å; F27-I36 HydrophobicContact CG-CG1 4.43Å; F27-E40 VanDerWaalsContact O-CB 3.31Å; F27-E40 WeakPolarHBondContact O-CB 3.44Å; F27-E40 WeakPolarHBondContact O-CG 3.48Å; F27-L41 HydrophobicContact CE1-CD1 3.95Å; F27-V44 HydrophobicContact CB-CG2 4.48Å; F27-V44 HydrophobicContact CD1-CB 3.56Å; F27-V44 HydrophobicContact CD1-CG1 4.04Å; F27-V44 HydrophobicContact CD1-CG2 3.37Å; F27-V44 HydrophobicContact CD2-CG2 4.44Å; F27-V44 HydrophobicContact CE1-CB 3.22Å; F27-V44 HydrophobicContact CE1-CG1 3.38Å; F27-V44 HydrophobicContact CE1-CG2 3.62Å; F27-V44 HydrophobicContact CE2-CG1 3.93Å; F27-V44 HydrophobicContact CG-CB 4.37Å; F27-V44 HydrophobicContact CG-CG2 3.83Å; F27-V44 HydrophobicContact CZ-CB 3.75Å; F27-V44 HydrophobicContact CZ-CG1 3.29Å; F27-V44 HydrophobicContact CZ-CG2 4.21Å; F27-F78 AromaticContact CD2-CE2 3.76Å; F27-F78 HydrophobicContact CD2-CE2 3.76Å; F27-F78 AromaticContact CD2-CZ 3.8Å; F27-F78 HydrophobicContact CD2-CZ 3.8Å; F27-F78 AromaticContact CE2-CE2 3.65Å; F27-F78 HydrophobicContact CE2-CE2 3.65Å; F27-F78 AromaticContact CE2-CZ 3.62Å; F27-F78 HydrophobicContact CE2-CZ 3.62Å; F27-F78 HydrophobicContact CG-CE2 4.4Å; F27-F78 HydrophobicContact CZ-CE2 4.11Å; F27-F78 HydrophobicContact CZ-CZ 4.43Å; F27-M82 HydrophobicContact CE2-CE 4.2Å; F27-M82 HydrophobicContact CZ-CE 4.27Å
28V83.9Confident81.5Confident19 Ų1966.2 Ų66.212%0.11536%0.361CS..SBendtrans-92.27-176.5-54.90000113.8F24 D30 A31 I36F24-V28 HydrophobicContact CD1-CG1 4.12Å; F24-V28 HydrophobicContact CD1-CG2 3.89Å; F24-V28 HydrophobicContact CE1-CB 4.31Å; F24-V28 HydrophobicContact CE1-CG1 3.61Å; F24-V28 HydrophobicContact CE1-CG2 3.76Å; F24-V28 HydrophobicContact CE2-CG1 4.05Å; F24-V28 HydrophobicContact CZ-CG1 3.57Å; F24-V28 WeakPolarHBondContact O-CG2 3.39Å; F24-V28 PolarHBondContact O-N 2.97Å; V28-D30 PolarHBondContact O-N 2.85Å; V28-D30 VanDerWaalsContact O-N 3.15Å; V28-A31 HydrophobicContact CB-CB 3.95Å; V28-A31 HydrophobicContact CG1-CB 4.45Å; V28-A31 WeakPolarHBondContact O-CB 3.44Å; V28-A31 PolarHBondContact O-N 3.27Å; V28-I36 HydrophobicContact CG1-CG1 3.55Å
29Q81.5Confident81.6Confident141 Ų14169 Ų6966%0.65937%0.368SS*.THydrogen-bonded Turntrans-58-31.8-177.8-159.2-168.8-74.600112.8D25D25-Q29 WeakPolarHBondContact O-CA 3.49Å; D25-Q29 WeakPolarHBondContact O-CB 3.2Å; D25-Q29 PolarHBondContact O-N 2.89Å
30D75.9Confident82Confident97 Ų9763.6 Ų63.652%0.51934%0.342SS..THydrogen-bonded Turntrans-1064.6178.1-74.7-77.1000112.7V28 K43V28-D30 PolarHBondContact O-N 2.85Å; V28-D30 VanDerWaalsContact O-N 3.15Å; D30-K43 IonicContact OD2-NZ 2.94Å; D30-K43 PolarHBondContact OD2-NZ 2.95Å
31A78.8Confident82.1Confident24 Ų2463.1 Ų63.120%0.19834%0.34CS..  trans-85.9130.9-179.300000111.6V28 C35V28-A31 HydrophobicContact CB-CB 3.95Å; V28-A31 HydrophobicContact CG1-CB 4.45Å; V28-A31 WeakPolarHBondContact O-CB 3.44Å; V28-A31 PolarHBondContact O-N 3.27Å; A31-C35 WeakPolarHBondContact CB-O 3.48Å
32E75.2Confident82.1Confident209 Ų20958.5 Ų58.598%0.97732%0.322SS*.SBendtrans-78-25.4-179.7-66.4-173.288.700113
33D76.1Confident82.1Confident97 Ų9759.4 Ų59.452%0.51932%0.316SS..SBendtrans-99.9-6.1-178.557.6-5.2000113.1C35D33-C35 PolarHBondContact O-N 2.81Å; D33-C35 PolarHBondContact OD1-N 3.28Å; D33-C35 VanDerWaalsContact OD1-N 3.14Å
34G80Confident81.9Confident35 Ų3558.7 Ų58.736%0.36131%0.308SS..SBendtrans69.320.8-176.100000113.7
35C82.9Confident81.6Confident28 Ų2859 Ų5919%0.18931%0.31CS..SBendtrans-118154178.4-57.10000110.6A31 D33 S37 T72A31-C35 WeakPolarHBondContact CB-O 3.48Å; D33-C35 PolarHBondContact O-N 2.81Å; D33-C35 PolarHBondContact OD1-N 3.28Å; D33-C35 VanDerWaalsContact OD1-N 3.14Å; C35-S37 PolarHBondContact O-N 2.79Å; C35-T72 HydrophobicContact CB-CG2 4.38Å
36I85.3Confident81.4Confident3 Ų361.8 Ų61.82%0.01531%0.314CS..EExtended strand (participates in β ladder)trans-86.5112.9-179.2-57.6175.4000108.8F24 F27 V28 E40 L41 T72 V73 F78F24-I36 HydrophobicContact CD2-CD1 3.4Å; F24-I36 HydrophobicContact CD2-CG1 3.98Å; F24-I36 HydrophobicContact CE2-CD1 3.48Å; F24-I36 VanDerWaalsContact CE2-CD1 3.48Å; F24-I36 HydrophobicContact CE2-CG1 3.61Å; F24-I36 HydrophobicContact CG-CD1 4.43Å; F24-I36 HydrophobicContact CZ-CG1 4.3Å; F27-I36 HydrophobicContact CB-CD1 3.55Å; F27-I36 HydrophobicContact CB-CG1 3.69Å; F27-I36 HydrophobicContact CB-CG2 4.43Å; F27-I36 HydrophobicContact CD1-CD1 4.28Å; F27-I36 HydrophobicContact CD1-CG2 4.33Å; F27-I36 HydrophobicContact CD2-CD1 4.26Å; F27-I36 HydrophobicContact CG-CD1 3.82Å; F27-I36 HydrophobicContact CG-CG1 4.43Å; V28-I36 HydrophobicContact CG1-CG1 3.55Å; I36-E40 HydrophobicContact CG2-CB 4.24Å; I36-L41 HydrophobicContact CG2-CB 3.94Å; I36-T72 CarbonylContact O-C 3.57Å; I36-T72 WeakPolarHBondContact O-CA 3.34Å; I36-V73 HydrophobicContact CB-CB 4.2Å; I36-V73 PolarHBondContact N-O 3.18Å; I36-V73 PolarHBondContact O-N 3.1Å; I36-F78 HydrophobicContact CD1-CB 4.3Å; I36-F78 HydrophobicContact CD1-CD2 3.25Å; I36-F78 HydrophobicContact CD1-CE2 3.59Å; I36-F78 HydrophobicContact CD1-CG 3.94Å
37S86.7Confident80.9Confident32 Ų3263.7 Ų63.722%0.22432%0.322CS..EExtended strand (participates in β ladder)trans-89.8166.917068.10000111.5C35 K39 E40 L41C35-S37 PolarHBondContact O-N 2.79Å; S37-K39 PolarHBondContact O-N 2.93Å; S37-E40 PolarHBondContact O-N 3.09Å; S37-L41 PolarHBondContact O-N 3.39Å
38T85.1Confident80.4Confident38 Ų3869.4 Ų69.423%0.23335%0.352CS..Hα-helixtrans-52.5-30.4174.749.60000112.9G42 L57 Q58 I61T38-G42 PolarHBondContact O-N 3.47Å; T38-L57 HydrophobicContact CG2-CB 4.41Å; T38-Q58 HydrophobicContact CG2-CB 4.36Å; T38-I61 HydrophobicContact CG2-CD1 3.57Å; T38-I61 HydrophobicContact CG2-CG1 4.29Å
39K84.3Confident80Confident164 Ų16471.8 Ų71.871%0.71338%0.381SS*.Hα-helixtrans-68.2-46.2177-66.9178.1-176.3168.70112.2S37 K43S37-K39 PolarHBondContact O-N 2.93Å; K39-K43 WeakPolarHBondContact O-CB 3.5Å; K39-K43 PolarHBondContact O-N 2.9Å; K39-K43 VanDerWaalsContact O-N 3.08Å
40E86.5Confident79.6Confident25 Ų2570.5 Ų70.512%0.11738%0.375CS..Hα-helixtrans-70.5-42.6-179.2-67.3-47.2133.400111F27 I36 S37 G42 K43 V44F27-E40 VanDerWaalsContact O-CB 3.31Å; F27-E40 WeakPolarHBondContact O-CB 3.44Å; F27-E40 WeakPolarHBondContact O-CG 3.48Å; I36-E40 HydrophobicContact CG2-CB 4.24Å; S37-E40 PolarHBondContact O-N 3.09Å; E40-G42 PolarHBondContact O-N 3.17Å; E40-K43 PolarHBondContact O-N 3.25Å; E40-K43 IonicContact OE2-NZ 2.62Å; E40-V44 PolarHBondContact O-N 2.94Å; E40-V44 VanDerWaalsContact O-N 3.16Å
41L82.9Confident79.7Confident5 Ų571.8 Ų71.83%0.02638%0.382CS..Hα-helixtrans-56.8-49.5173.9-175.763.3000111.3F27 I36 S37 K43 V44 M45 L57 M60 I61 M81F27-L41 HydrophobicContact CE1-CD1 3.95Å; I36-L41 HydrophobicContact CG2-CB 3.94Å; S37-L41 PolarHBondContact O-N 3.39Å; L41-K43 VanDerWaalsContact C-N 3.33Å; L41-K43 PolarHBondContact O-N 3.46Å; L41-V44 PolarHBondContact O-N 3.24Å; L41-M45 HydrophobicContact CD1-CG 4.47Å; L41-M45 HydrophobicContact CD1-SD 4.46Å; L41-M45 HydrophobicContact CG-SD 4.31Å; L41-M45 WeakPolarHBondContact O-CG 3.22Å; L41-M45 PolarHBondContact O-N 2.86Å; L41-L57 HydrophobicContact CB-CD2 4.17Å; L41-L57 HydrophobicContact CD2-CD2 3.78Å; L41-L57 HydrophobicContact CG-CD2 3.68Å; L41-M60 HydrophobicContact CD2-CB 4.13Å; L41-M60 HydrophobicContact CD2-SD 4.37Å; L41-I61 HydrophobicContact CD2-CD1 4.41Å; L41-I61 HydrophobicContact CD2-CG1 4Å; L41-M81 HydrophobicContact CD1-CE 3.88Å; L41-M81 HydrophobicContact CD1-SD 4.46Å; L41-M81 HydrophobicContact CD2-CE 3.92Å
42G83.9Confident79.8Confident6 Ų671.4 Ų71.46%0.06238%0.377CS..Hα-helixtrans-64.8-33.3179.900000114.2T38 E40 R46 L57T38-G42 PolarHBondContact O-N 3.47Å; E40-G42 PolarHBondContact O-N 3.17Å; G42-R46 WeakPolarHBondContact O-CB 3.2Å; G42-R46 VanDerWaalsContact O-CG 3.32Å; G42-R46 WeakPolarHBondContact O-CG 3.29Å; G42-R46 PolarHBondContact O-N 3.32Å; G42-R46 VanDerWaalsContact O-N 3.1Å; G42-L57 VanDerWaalsContact CA-CD1 3.49Å
43K83.5Confident80.3Confident76 Ų7664.4 Ų64.433%0.3335%0.349SS..Hα-helixtrans-65.1-46.2176.2179.9-179.3169.7-165.70110.9D30 K39 E40 L41 R46 M47D30-K43 IonicContact OD2-NZ 2.94Å; D30-K43 PolarHBondContact OD2-NZ 2.95Å; K39-K43 WeakPolarHBondContact O-CB 3.5Å; K39-K43 PolarHBondContact O-N 2.9Å; K39-K43 VanDerWaalsContact O-N 3.08Å; E40-K43 PolarHBondContact O-N 3.25Å; E40-K43 IonicContact OE2-NZ 2.62Å; L41-K43 VanDerWaalsContact C-N 3.33Å; L41-K43 PolarHBondContact O-N 3.46Å; K43-R46 PolarHBondContact O-N 2.85Å; K43-M47 HydrophobicContact CG-CE 4Å; K43-M47 WeakPolarHBondContact O-CG 3.47Å; K43-M47 PolarHBondContact O-N 3Å
44V78.6Confident80.6Confident15 Ų1564.4 Ų64.49%0.09135%0.354CS..Hα-helixtrans-72.2-40.2-179.9177.50000111.6F27 E40 L41 R46 M47 L48F27-V44 HydrophobicContact CB-CG2 4.48Å; F27-V44 HydrophobicContact CD1-CB 3.56Å; F27-V44 HydrophobicContact CD1-CG1 4.04Å; F27-V44 HydrophobicContact CD1-CG2 3.37Å; F27-V44 HydrophobicContact CD2-CG2 4.44Å; F27-V44 HydrophobicContact CE1-CB 3.22Å; F27-V44 HydrophobicContact CE1-CG1 3.38Å; F27-V44 HydrophobicContact CE1-CG2 3.62Å; F27-V44 HydrophobicContact CE2-CG1 3.93Å; F27-V44 HydrophobicContact CG-CB 4.37Å; F27-V44 HydrophobicContact CG-CG2 3.83Å; F27-V44 HydrophobicContact CZ-CB 3.75Å; F27-V44 HydrophobicContact CZ-CG1 3.29Å; F27-V44 HydrophobicContact CZ-CG2 4.21Å; E40-V44 PolarHBondContact O-N 2.94Å; E40-V44 VanDerWaalsContact O-N 3.16Å; L41-V44 PolarHBondContact O-N 3.24Å; V44-R46 PolarHBondContact O-N 3.4Å; V44-M47 CarbonylContact O-C 3.56Å; V44-M47 WeakPolarHBondContact O-CA 3.49Å; V44-M47 WeakPolarHBondContact O-CB 3.28Å; V44-M47 PolarHBondContact O-N 3.47Å; V44-L48 HydrophobicContact CG1-CD1 4.13Å; V44-L48 HydrophobicContact CG1-CG 4.33Å; V44-L48 WeakPolarHBondContact O-CG 3.33Å; V44-L48 PolarHBondContact O-N 3.47Å
45M76.7Confident80.8Confident23 Ų2370 Ų7011%0.11337%0.371CS..Hα-helixtrans-58-38.7174.3-73.1-167.4134.100111.9L41 L48 G49 Q50 P52 L57 M60L41-M45 HydrophobicContact CD1-CG 4.47Å; L41-M45 HydrophobicContact CD1-SD 4.46Å; L41-M45 HydrophobicContact CG-SD 4.31Å; L41-M45 WeakPolarHBondContact O-CG 3.22Å; L41-M45 PolarHBondContact O-N 2.86Å; M45-L48 CarbonylContact O-C 3.57Å; M45-L48 PolarHBondContact O-N 3.24Å; M45-G49 PolarHBondContact O-N 3.03Å; M45-Q50 CarbonylContact C-O 3.59Å; M45-Q50 VanDerWaalsContact C-O 3.31Å; M45-Q50 HydrophobicContact CB-CB 4.42Å; M45-Q50 WeakPolarHBondContact O-CA 3.49Å; M45-Q50 WeakPolarHBondContact O-CB 3.36Å; M45-Q50 PolarHBondContact O-N 2.83Å; M45-P52 HydrophobicContact CB-CG 3.77Å; M45-P52 HydrophobicContact CG-CG 4.36Å; M45-P52 HydrophobicContact SD-CB 4.27Å; M45-P52 HydrophobicContact SD-CG 3.69Å; M45-L57 HydrophobicContact SD-CD2 3.79Å; M45-M60 HydrophobicContact CE-CE 3.42Å; M45-M60 VanDerWaalsContact CE-CE 3.42Å; M45-M60 HydrophobicContact CE-SD 3.62Å; M45-M60 HydrophobicContact SD-CE 4.45Å; M45-M60 HydrophobicContact SD-SD 3.89Å
46R79.2Confident80.7Confident152 Ų15273 Ų7357%0.57438%0.382SS*.Hα-helixtrans-66.2-35.1170.8-74179.6-176.8164.311.2114.2G42 K43 V44 L48 G49 Q50 N51G42-R46 WeakPolarHBondContact O-CB 3.2Å; G42-R46 VanDerWaalsContact O-CG 3.32Å; G42-R46 WeakPolarHBondContact O-CG 3.29Å; G42-R46 PolarHBondContact O-N 3.32Å; G42-R46 VanDerWaalsContact O-N 3.1Å; K43-R46 PolarHBondContact O-N 2.85Å; V44-R46 PolarHBondContact O-N 3.4Å; R46-L48 VanDerWaalsContact C-N 3.3Å; R46-G49 PolarHBondContact O-N 2.89Å; R46-Q50 WeakPolarHBondContact CA-O 3.24Å; R46-Q50 PolarHBondContact N-O 3.32Å; R46-N51 PolarHBondContact NE-OD1 2.97Å; R46-N51 VanDerWaalsContact NE-OD1 3.08Å
47M72.4Confident80.6Confident137 Ų13773.4 Ų73.468%0.67538%0.384SS*.Hα-helixtrans-68-31.4173.3-71.8-175.6-175.100112.4K43 V44 G49K43-M47 HydrophobicContact CG-CE 4Å; K43-M47 WeakPolarHBondContact O-CG 3.47Å; K43-M47 PolarHBondContact O-N 3Å; V44-M47 CarbonylContact O-C 3.56Å; V44-M47 WeakPolarHBondContact O-CA 3.49Å; V44-M47 WeakPolarHBondContact O-CB 3.28Å; V44-M47 PolarHBondContact O-N 3.47Å; M47-G49 PolarHBondContact O-N 3.48Å
48L69.5Low80.4Confident131 Ų13175.7 Ų75.769%0.68639%0.391SS*.THydrogen-bonded Turntrans-78.6-0.5173.3-64.4173.8000113V44 M45 R46V44-L48 HydrophobicContact CG1-CD1 4.13Å; V44-L48 HydrophobicContact CG1-CG 4.33Å; V44-L48 WeakPolarHBondContact O-CG 3.33Å; V44-L48 PolarHBondContact O-N 3.47Å; M45-L48 CarbonylContact O-C 3.57Å; M45-L48 PolarHBondContact O-N 3.24Å; R46-L48 VanDerWaalsContact C-N 3.3Å
49G74.6Confident80.2Confident70 Ų7080 Ų8072%0.72241%0.409SS*.THydrogen-bonded Turntrans87.53.3177.500000114.8M45 R46 M47M45-G49 PolarHBondContact O-N 3.03Å; R46-G49 PolarHBondContact O-N 2.89Å; M47-G49 PolarHBondContact O-N 3.48Å
50Q73.3Confident79.9Confident114 Ų11474.9 Ų74.953%0.53339%0.388SS..  trans-87.8150.1171.9-63.6-170.8-1900110.6M45 R46 P52M45-Q50 CarbonylContact C-O 3.59Å; M45-Q50 VanDerWaalsContact C-O 3.31Å; M45-Q50 HydrophobicContact CB-CB 4.42Å; M45-Q50 WeakPolarHBondContact O-CA 3.49Å; M45-Q50 WeakPolarHBondContact O-CB 3.36Å; M45-Q50 PolarHBondContact O-N 2.83Å; R46-Q50 WeakPolarHBondContact CA-O 3.24Å; R46-Q50 PolarHBondContact N-O 3.32Å; Q50-P52 VanDerWaalsContact C-CD 3.45Å; Q50-P52 WeakPolarHBondContact O-CD 3.48Å
51N77.7Confident79.6Confident124 Ų12473.7 Ų73.766%0.66338%0.383SS*.  trans-128.568.2179-167.952.1000111.6R46R46-N51 PolarHBondContact NE-OD1 2.97Å; R46-N51 VanDerWaalsContact NE-OD1 3.08Å
52P80.5Confident79.5Confident16 Ų1678.9 Ų78.910%0.10441%0.411CS..  trans-66.9150.3179.131.9-39000111.2M45 Q50 E56 L57M45-P52 HydrophobicContact CB-CG 3.77Å; M45-P52 HydrophobicContact CG-CG 4.36Å; M45-P52 HydrophobicContact SD-CB 4.27Å; M45-P52 HydrophobicContact SD-CG 3.69Å; Q50-P52 VanDerWaalsContact C-CD 3.45Å; Q50-P52 WeakPolarHBondContact O-CD 3.48Å; P52-E56 HydrophobicContact CB-CB 4.41Å; P52-L57 HydrophobicContact CB-CD2 4.09Å; P52-L57 HydrophobicContact CB-CG 4.04Å; P52-L57 HydrophobicContact CG-CD1 4.22Å; P52-L57 HydrophobicContact CG-CD2 3.67Å; P52-L57 HydrophobicContact CG-CG 3.93Å
53T85.8Confident79Confident61 Ų6184.1 Ų84.137%0.37443%0.433SS..  trans-77.1157.9172.162.70000110.9E55 E56 L57T53-E55 PolarHBondContact O-N 2.96Å; T53-E56 WeakPolarHBondContact CB-OE2 3.41Å; T53-E56 WeakPolarHBondContact CG2-OE2 3.31Å; T53-E56 PolarHBondContact N-OE2 3.27Å; T53-E56 PolarHBondContact O-N 3.29Å; T53-E56 VanDerWaalsContact OG1-CG 3.26Å; T53-E56 WeakPolarHBondContact OG1-CG 3.4Å; T53-E56 PolarHBondContact OG1-N 3.42Å; T53-E56 PolarHBondContact OG1-OE2 3.5Å; T53-L57 WeakPolarHBondContact O-CG 3.16Å; T53-L57 PolarHBondContact O-N 3.01Å
54P83.3Confident78.6Confident98 Ų9881 Ų8164%0.63642%0.42SS*.Hα-helixtrans-58.9-30.2175.3-23.334000113.5Q58P54-Q58 WeakPolarHBondContact O-CB 3.43Å; P54-Q58 PolarHBondContact O-N 2.87Å
55E84.1Confident78.4Confident151 Ų15181 Ų8171%0.70642%0.42SS*.Hα-helixtrans-69.3-48.7177-68.4174.6101.700110.3T53 L57 Q58 E59T53-E55 PolarHBondContact O-N 2.96Å; E55-L57 VanDerWaalsContact C-N 3.32Å; E55-L57 PolarHBondContact O-N 3Å; E55-Q58 WeakPolarHBondContact O-CB 3.49Å; E55-Q58 PolarHBondContact O-N 3Å; E55-E59 WeakPolarHBondContact O-CG 3.04Å; E55-E59 PolarHBondContact O-N 2.83Å
56E81Confident77.9Confident93 Ų9385.3 Ų85.344%0.43544%0.44SS..Hα-helixtrans-58.8-43.7174.7-72165.8125.600111.7P52 T53 Q58 E59 M60P52-E56 HydrophobicContact CB-CB 4.41Å; T53-E56 WeakPolarHBondContact CB-OE2 3.41Å; T53-E56 WeakPolarHBondContact CG2-OE2 3.31Å; T53-E56 PolarHBondContact N-OE2 3.27Å; T53-E56 PolarHBondContact O-N 3.29Å; T53-E56 VanDerWaalsContact OG1-CG 3.26Å; T53-E56 WeakPolarHBondContact OG1-CG 3.4Å; T53-E56 PolarHBondContact OG1-N 3.42Å; T53-E56 PolarHBondContact OG1-OE2 3.5Å; E56-Q58 VanDerWaalsContact C-N 3.27Å; E56-Q58 PolarHBondContact O-N 2.94Å; E56-E59 PolarHBondContact O-N 2.76Å; E56-M60 WeakPolarHBondContact O-CB 3.31Å; E56-M60 VanDerWaalsContact O-CG 3.23Å; E56-M60 WeakPolarHBondContact O-CG 3.42Å; E56-M60 PolarHBondContact O-N 3.38Å
57L83.1Confident77.1Confident11 Ų1183.6 Ų83.66%0.05844%0.442CS..Hα-helixtrans-61.8-36.8176.1-69.7169.1000112.4T38 L41 G42 M45 P52 T53 E55 I61T38-L57 HydrophobicContact CG2-CB 4.41Å; L41-L57 HydrophobicContact CB-CD2 4.17Å; L41-L57 HydrophobicContact CD2-CD2 3.78Å; L41-L57 HydrophobicContact CG-CD2 3.68Å; G42-L57 VanDerWaalsContact CA-CD1 3.49Å; M45-L57 HydrophobicContact SD-CD2 3.79Å; P52-L57 HydrophobicContact CB-CD2 4.09Å; P52-L57 HydrophobicContact CB-CG 4.04Å; P52-L57 HydrophobicContact CG-CD1 4.22Å; P52-L57 HydrophobicContact CG-CD2 3.67Å; P52-L57 HydrophobicContact CG-CG 3.93Å; T53-L57 WeakPolarHBondContact O-CG 3.16Å; T53-L57 PolarHBondContact O-N 3.01Å; E55-L57 VanDerWaalsContact C-N 3.32Å; E55-L57 PolarHBondContact O-N 3Å; L57-I61 WeakPolarHBondContact O-CG1 3.46Å; L57-I61 PolarHBondContact O-N 2.79Å
58Q82.1Confident76.4Confident79 Ų7981.6 Ų81.637%0.36945%0.448SS..Hα-helixtrans-69.6-44.1177.2-172.663.355.800110.7T38 P54 E55 E56 M60 I61 D62T38-Q58 HydrophobicContact CG2-CB 4.36Å; P54-Q58 WeakPolarHBondContact O-CB 3.43Å; P54-Q58 PolarHBondContact O-N 2.87Å; E55-Q58 WeakPolarHBondContact O-CB 3.49Å; E55-Q58 PolarHBondContact O-N 3Å; E56-Q58 VanDerWaalsContact C-N 3.27Å; E56-Q58 PolarHBondContact O-N 2.94Å; Q58-M60 VanDerWaalsContact C-N 3.34Å; Q58-M60 PolarHBondContact O-N 3.25Å; Q58-I61 PolarHBondContact O-N 2.79Å; Q58-D62 WeakPolarHBondContact O-CB 3.31Å; Q58-D62 PolarHBondContact O-N 3.02Å
59E81.4Confident75.9Confident129 Ų12978.4 Ų78.460%0.60345%0.446SS*.Hα-helixtrans-60.4-43.4175.7-70.7-172111.900111.5E55 E56 I61 D62 E63E55-E59 WeakPolarHBondContact O-CG 3.04Å; E55-E59 PolarHBondContact O-N 2.83Å; E56-E59 PolarHBondContact O-N 2.76Å; E59-I61 PolarHBondContact O-N 3.19Å; E59-D62 PolarHBondContact O-N 3.33Å; E59-E63 WeakPolarHBondContact O-CB 3.45Å; E59-E63 WeakPolarHBondContact O-CG 3.47Å; E59-E63 PolarHBondContact O-N 2.86Å
60M78.1Confident75.7Confident57 Ų5778 Ų7828%0.28143%0.433SS..Hα-helixtrans-58.9-35.9175.8-72.2-174.792.600113.1L41 M45 E56 Q58 V64 M81L41-M60 HydrophobicContact CD2-CB 4.13Å; L41-M60 HydrophobicContact CD2-SD 4.37Å; M45-M60 HydrophobicContact CE-CE 3.42Å; M45-M60 VanDerWaalsContact CE-CE 3.42Å; M45-M60 HydrophobicContact CE-SD 3.62Å; M45-M60 HydrophobicContact SD-CE 4.45Å; M45-M60 HydrophobicContact SD-SD 3.89Å; E56-M60 WeakPolarHBondContact O-CB 3.31Å; E56-M60 VanDerWaalsContact O-CG 3.23Å; E56-M60 WeakPolarHBondContact O-CG 3.42Å; E56-M60 PolarHBondContact O-N 3.38Å; Q58-M60 VanDerWaalsContact C-N 3.34Å; Q58-M60 PolarHBondContact O-N 3.25Å; M60-V64 WeakPolarHBondContact O-CG2 3.35Å; M60-M81 HydrophobicContact CB-CE 4.02Å; M60-M81 HydrophobicContact CE-CE 3.41Å; M60-M81 VanDerWaalsContact CE-CE 3.41Å; M60-M81 HydrophobicContact SD-CE 4.27Å
61I80.9Confident75.8Confident0 Ų074 Ų740%042%0.421CS..Hα-helixtrans-76.4-47.5175.7-68.9-168.5000110.7T38 L41 L57 Q58 E59 E63 V64 D65 V73T38-I61 HydrophobicContact CG2-CD1 3.57Å; T38-I61 HydrophobicContact CG2-CG1 4.29Å; L41-I61 HydrophobicContact CD2-CD1 4.41Å; L41-I61 HydrophobicContact CD2-CG1 4Å; L57-I61 WeakPolarHBondContact O-CG1 3.46Å; L57-I61 PolarHBondContact O-N 2.79Å; Q58-I61 PolarHBondContact O-N 2.79Å; E59-I61 PolarHBondContact O-N 3.19Å; I61-E63 PolarHBondContact O-N 3.31Å; I61-E63 VanDerWaalsContact O-N 3.17Å; I61-V64 WeakPolarHBondContact O-CG2 3.48Å; I61-V64 PolarHBondContact O-N 2.91Å; I61-D65 HydrophobicContact CG2-CB 4.07Å; I61-D65 WeakPolarHBondContact O-CB 3.4Å; I61-D65 PolarHBondContact O-N 3.09Å; I61-V73 HydrophobicContact CB-CG2 4.17Å; I61-V73 HydrophobicContact CD1-CG2 4.19Å; I61-V73 HydrophobicContact CG1-CG2 3.81Å; I61-V73 HydrophobicContact CG2-CG2 3.85Å
62D79.8Confident75.9Confident114 Ų11469.4 Ų69.461%0.6140%0.398SS*.Hα-helixtrans-57.8-31.3179.4-124.9-100.1000112.2Q58 E59 V64Q58-D62 WeakPolarHBondContact O-CB 3.31Å; Q58-D62 PolarHBondContact O-N 3.02Å; E59-D62 PolarHBondContact O-N 3.33Å; D62-V64 VanDerWaalsContact C-N 3.27Å; D62-V64 PolarHBondContact O-N 3.21Å
63E74.8Confident76Confident116 Ų11668.7 Ų68.754%0.54239%0.393SS..THydrogen-bonded Turntrans-69.2-19.5177.3-83.9-154-167.800115.1E59 I61 R84E59-E63 WeakPolarHBondContact O-CB 3.45Å; E59-E63 WeakPolarHBondContact O-CG 3.47Å; E59-E63 PolarHBondContact O-N 2.86Å; I61-E63 PolarHBondContact O-N 3.31Å; I61-E63 VanDerWaalsContact O-N 3.17Å; E63-R84 PolarHBondContact O-NH1 2.78Å; E63-R84 VanDerWaalsContact O-NH1 3.15Å; E63-R84 IonicContact OE2-CZ 2.81Å; E63-R84 IonicContact OE2-NH2 3.77Å; E63-R84 PolarHBondContact OE2-NH2 3.25Å
64V73.4Confident76Confident9 Ų968.4 Ų68.46%0.05539%0.389CS..THydrogen-bonded Turntrans-122.6-22.6-174.4-57.80000113.5M60 I61 D62 E66 V73 M81M60-V64 WeakPolarHBondContact O-CG2 3.35Å; I61-V64 WeakPolarHBondContact O-CG2 3.48Å; I61-V64 PolarHBondContact O-N 2.91Å; D62-V64 VanDerWaalsContact C-N 3.27Å; D62-V64 PolarHBondContact O-N 3.21Å; V64-E66 PolarHBondContact O-N 2.77Å; V64-V73 HydrophobicContact CG2-CG1 4.02Å; V64-V73 HydrophobicContact CG2-CG2 3.65Å; V64-M81 HydrophobicContact CG1-CB 3.98Å; V64-M81 HydrophobicContact CG1-CG 4.17Å; V64-M81 HydrophobicContact CG2-CB 4.49Å
65D75.3Confident75.9Confident15 Ų1566.5 Ų66.58%0.0837%0.371CS..  trans-73.272.7174.3-179.319.6000110I61 G69 S70 G71I61-D65 HydrophobicContact CG2-CB 4.07Å; I61-D65 WeakPolarHBondContact O-CB 3.4Å; I61-D65 PolarHBondContact O-N 3.09Å; D65-G69 WeakPolarHBondContact OD2-CA 3.49Å; D65-S70 PolarHBondContact OD1-N 3.15Å; D65-S70 VanDerWaalsContact OD1-N 3.13Å; D65-S70 PolarHBondContact OD1-OG 3.35Å; D65-S70 PolarHBondContact OD2-N 3.27Å; D65-S70 VanDerWaalsContact OD2-N 3.11Å; D65-G71 WeakPolarHBondContact OD2-CA 3.3Å; D65-G71 PolarHBondContact OD2-N 3.16Å
66E65.9Low75.7Confident115 Ų11564.7 Ų64.754%0.53737%0.366SS..THydrogen-bonded Turntrans-81.6-16.6177.5-68.7-160.999.500112M1 V64 A68 E77M1-E66 WeakPolarHBondContact CA-OE1 3.5Å; M1-E66 WeakPolarHBondContact CA-OE2 3.4Å; M1-E66 VanDerWaalsContact N-CD 3.28Å; M1-E66 PolarHBondContact N-OE1 3.43Å; M1-E66 PolarHBondContact N-OE2 3.34Å; M1-E66 VanDerWaalsContact N-OE2 3.14Å; V64-E66 PolarHBondContact O-N 2.77Å; E66-A68 VanDerWaalsContact C-N 3.26Å; E66-A68 PolarHBondContact O-N 2.98Å; E66-E77 PolarHBondContact N-OE1 3.4Å
67D62.9Low75.7Confident115 Ų11561.2 Ų61.262%0.61535%0.35SS*.THydrogen-bonded Turntrans-81.672.4175.6-157.7-1.5000111.5G69 S70D67-G69 VanDerWaalsContact C-N 3.32Å; D67-G69 PolarHBondContact O-N 3.12Å; D67-G69 VanDerWaalsContact O-N 3.13Å; D67-S70 PolarHBondContact O-N 3.28Å
68A56.6Low75.6Confident96 Ų9660.7 Ų60.779%0.79335%0.347SS*.THydrogen-bonded Turntrans57.831.2163.300000116.6E66E66-A68 VanDerWaalsContact C-N 3.26Å; E66-A68 PolarHBondContact O-N 2.98Å
69G60.5Low75.5Confident63 Ų6357.3 Ų57.365%0.64933%0.332SS*.THydrogen-bonded Turntrans70.344.9172.600000112.4D65 D67 G71D65-G69 WeakPolarHBondContact OD2-CA 3.49Å; D67-G69 VanDerWaalsContact C-N 3.32Å; D67-G69 PolarHBondContact O-N 3.12Å; D67-G69 VanDerWaalsContact O-N 3.13Å; G69-G71 PolarHBondContact O-N 3.27Å
70S70.4Confident75.3Confident63 Ų6352.4 Ų52.444%0.44131%0.311SS..  trans-61.5-22.7175.474.50000111.8D65 D67 T72D65-S70 PolarHBondContact OD1-N 3.15Å; D65-S70 VanDerWaalsContact OD1-N 3.13Å; D65-S70 PolarHBondContact OD1-OG 3.35Å; D65-S70 PolarHBondContact OD2-N 3.27Å; D65-S70 VanDerWaalsContact OD2-N 3.11Å; D67-S70 PolarHBondContact O-N 3.28Å; S70-T72 WeakPolarHBondContact CB-OG1 3.11Å; S70-T72 PolarHBondContact O-N 3.04Å; S70-T72 PolarHBondContact OG-N 3.08Å; S70-T72 PolarHBondContact OG-O 3.39Å; S70-T72 PolarHBondContact OG-OG1 2.88Å
71G73.6Confident75.2Confident29 Ų2950.8 Ų50.830%0.29930%0.303SS..SBendtrans70.714.9-174.200000112.3D65 G69D65-G71 WeakPolarHBondContact OD2-CA 3.3Å; D65-G71 PolarHBondContact OD2-N 3.16Å; G69-G71 PolarHBondContact O-N 3.27Å
72T80.6Confident74.9Confident27 Ų2753 Ų5317%0.16631%0.313CS..EExtended strand (participates in β ladder)trans-141148.6-173.754.30000109.8C35 I36 S70C35-T72 HydrophobicContact CB-CG2 4.38Å; I36-T72 CarbonylContact O-C 3.57Å; I36-T72 WeakPolarHBondContact O-CA 3.34Å; S70-T72 WeakPolarHBondContact CB-OG1 3.11Å; S70-T72 PolarHBondContact O-N 3.04Å; S70-T72 PolarHBondContact OG-N 3.08Å; S70-T72 PolarHBondContact OG-O 3.39Å; S70-T72 PolarHBondContact OG-OG1 2.88Å
73V83.6Confident74.6Confident1 Ų147.9 Ų47.91%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-108.8119.9-179.5-177.90000108.8I36 I61 V64 E77 F78I36-V73 HydrophobicContact CB-CB 4.2Å; I36-V73 PolarHBondContact N-O 3.18Å; I36-V73 PolarHBondContact O-N 3.1Å; I61-V73 HydrophobicContact CB-CG2 4.17Å; I61-V73 HydrophobicContact CD1-CG2 4.19Å; I61-V73 HydrophobicContact CG1-CG2 3.81Å; I61-V73 HydrophobicContact CG2-CG2 3.85Å; V64-V73 HydrophobicContact CG2-CG1 4.02Å; V64-V73 HydrophobicContact CG2-CG2 3.65Å; V73-E77 WeakPolarHBondContact CA-OE2 3.42Å; V73-E77 HydrophobicContact CG1-CB 3.56Å; V73-F78 HydrophobicContact CG1-CB 4.04Å
74D84.1Confident74.2Confident55 Ų5545.1 Ų45.129%0.29427%0.271SS..  trans-79.1178.9173.576.447.6000112.4D76 E77 F78D74-D76 PolarHBondContact O-N 2.95Å; D74-D76 WeakPolarHBondContact OD1-CA 3.41Å; D74-D76 WeakPolarHBondContact OD1-CB 3.45Å; D74-D76 PolarHBondContact OD1-N 3.43Å; D74-E77 PolarHBondContact N-OE2 2.73Å; D74-E77 PolarHBondContact O-N 3.18Å; D74-E77 PolarHBondContact OD1-N 2.59Å; D74-F78 WeakPolarHBondContact O-CB 3.17Å; D74-F78 PolarHBondContact O-N 3.27Å
75F82.1Confident73.7Confident59 Ų5947.5 Ų47.526%0.25929%0.287SS..Hα-helixtrans-66-37.8-177-178.1-116.7000113.5K21 F24 F78 L79K21-F75 HydrophobicContact CB-CE2 3.91Å; K21-F75 HydrophobicContact CB-CZ 3.73Å; K21-F75 HydrophobicContact CG-CE2 4.2Å; K21-F75 HydrophobicContact CG-CZ 4.09Å; F24-F75 HydrophobicContact CB-CD2 3.79Å; F24-F75 HydrophobicContact CB-CE2 3.98Å; F24-F75 HydrophobicContact CD1-CB 4.37Å; F24-F75 AromaticContact CD1-CD2 3.83Å; F24-F75 HydrophobicContact CD1-CD2 3.83Å; F24-F75 HydrophobicContact CD1-CG 4.48Å; F24-F75 HydrophobicContact CD2-CB 4.49Å; F24-F75 AromaticContact CD2-CD2 3.86Å; F24-F75 HydrophobicContact CD2-CD2 3.86Å; F24-F75 HydrophobicContact CE1-CB 4.05Å; F24-F75 HydrophobicContact CE1-CD2 4.35Å; F24-F75 HydrophobicContact CE2-CB 4.18Å; F24-F75 HydrophobicContact CE2-CD2 4.39Å; F24-F75 AromaticContact CG-CD2 3.55Å; F24-F75 HydrophobicContact CG-CD2 3.55Å; F24-F75 HydrophobicContact CG-CE2 4.25Å; F24-F75 HydrophobicContact CZ-CB 3.95Å; F75-F78 PolarHBondContact O-N 3.1Å; F75-L79 HydrophobicContact CD1-CD1 4.22Å; F75-L79 HydrophobicContact CE1-CD1 3.74Å; F75-L79 HydrophobicContact CE1-CG 4.31Å; F75-L79 HydrophobicContact CE2-CD2 4.36Å; F75-L79 HydrophobicContact CE2-CG 4.25Å; F75-L79 HydrophobicContact CZ-CD1 3.92Å; F75-L79 HydrophobicContact CZ-CD2 4.13Å; F75-L79 HydrophobicContact CZ-CG 4.07Å; F75-L79 WeakPolarHBondContact O-CG 3.33Å; F75-L79 PolarHBondContact O-N 2.9Å
76D80.3Confident72.9Confident112 Ų11250.9 Ų50.960%0.59930%0.304SS*.Hα-helixtrans-69-41.3177.1-86.9-94.3000110.3D74 F78 L79 V80D74-D76 PolarHBondContact O-N 2.95Å; D74-D76 WeakPolarHBondContact OD1-CA 3.41Å; D74-D76 WeakPolarHBondContact OD1-CB 3.45Å; D74-D76 PolarHBondContact OD1-N 3.43Å; D76-F78 VanDerWaalsContact C-N 3.35Å; D76-L79 PolarHBondContact O-N 2.99Å; D76-V80 WeakPolarHBondContact O-CG2 2.84Å; D76-V80 PolarHBondContact O-N 3.3Å; D76-V80 VanDerWaalsContact O-N 3.1Å
77E80.6Confident72.2Confident20 Ų2048.8 Ų48.89%0.09329%0.293CS..Hα-helixtrans-66.3-36.7174.4-63.9175.414000111.8E66 V73 D74 V80 M81E66-E77 PolarHBondContact N-OE1 3.4Å; V73-E77 WeakPolarHBondContact CA-OE2 3.42Å; V73-E77 HydrophobicContact CG1-CB 3.56Å; D74-E77 PolarHBondContact N-OE2 2.73Å; D74-E77 PolarHBondContact O-N 3.18Å; D74-E77 PolarHBondContact OD1-N 2.59Å; E77-V80 WeakPolarHBondContact O-CB 3.41Å; E77-V80 PolarHBondContact O-N 3.43Å; E77-M81 WeakPolarHBondContact O-CB 3.27Å; E77-M81 PolarHBondContact O-N 3.03Å
78F81Confident71.5Confident1 Ų149 Ų490%0.00429%0.294CS..Hα-helixtrans-66.3-37174.3176.5-99.9000112.3F20 A23 F24 F27 I36 V73 D74 F75 D76 V80 M81 M82F20-F78 HydrophobicContact CB-CE1 4.33Å; F20-F78 WeakPolarHBondContact O-CE1 3.37Å; A23-F78 HydrophobicContact CB-CZ 4.26Å; F24-F78 HydrophobicContact CB-CD1 3.93Å; F24-F78 HydrophobicContact CB-CE1 3.79Å; F24-F78 HydrophobicContact CB-CZ 4.32Å; F24-F78 HydrophobicContact CD2-CB 3.63Å; F24-F78 AromaticContact CD2-CD1 3.65Å; F24-F78 HydrophobicContact CD2-CD1 3.65Å; F24-F78 HydrophobicContact CD2-CD2 4.05Å; F24-F78 HydrophobicContact CD2-CE1 4.22Å; F24-F78 AromaticContact CD2-CG 3.52Å; F24-F78 HydrophobicContact CD2-CG 3.52Å; F24-F78 HydrophobicContact CE2-CB 3.82Å; F24-F78 HydrophobicContact CE2-CG 4.19Å; F24-F78 HydrophobicContact CG-CD1 4.25Å; F27-F78 AromaticContact CD2-CE2 3.76Å; F27-F78 HydrophobicContact CD2-CE2 3.76Å; F27-F78 AromaticContact CD2-CZ 3.8Å; F27-F78 HydrophobicContact CD2-CZ 3.8Å; F27-F78 AromaticContact CE2-CE2 3.65Å; F27-F78 HydrophobicContact CE2-CE2 3.65Å; F27-F78 AromaticContact CE2-CZ 3.62Å; F27-F78 HydrophobicContact CE2-CZ 3.62Å; F27-F78 HydrophobicContact CG-CE2 4.4Å; F27-F78 HydrophobicContact CZ-CE2 4.11Å; F27-F78 HydrophobicContact CZ-CZ 4.43Å; I36-F78 HydrophobicContact CD1-CB 4.3Å; I36-F78 HydrophobicContact CD1-CD2 3.25Å; I36-F78 HydrophobicContact CD1-CE2 3.59Å; I36-F78 HydrophobicContact CD1-CG 3.94Å; V73-F78 HydrophobicContact CG1-CB 4.04Å; D74-F78 WeakPolarHBondContact O-CB 3.17Å; D74-F78 PolarHBondContact O-N 3.27Å; F75-F78 PolarHBondContact O-N 3.1Å; D76-F78 VanDerWaalsContact C-N 3.35Å; F78-V80 VanDerWaalsContact C-N 3.32Å; F78-M81 WeakPolarHBondContact O-CB 3.49Å; F78-M81 PolarHBondContact O-N 3.49Å; F78-M82 HydrophobicContact CD1-CG 4.1Å; F78-M82 HydrophobicContact CD2-CG 4.46Å; F78-M82 HydrophobicContact CE1-CE 4.09Å; F78-M82 HydrophobicContact CE1-CG 3.71Å; F78-M82 HydrophobicContact CE2-CE 3.49Å; F78-M82 VanDerWaalsContact CE2-CE 3.49Å; F78-M82 HydrophobicContact CE2-CG 4.14Å; F78-M82 HydrophobicContact CG-CG 4.48Å; F78-M82 HydrophobicContact CZ-CE 3.23Å; F78-M82 HydrophobicContact CZ-CG 3.78Å; F78-M82 HydrophobicContact CZ-SD 4.33Å; F78-M82 WeakPolarHBondContact O-CB 3.46Å; F78-M82 WeakPolarHBondContact O-CG 3.47Å; F78-M82 PolarHBondContact O-N 3.28Å
79L80.3Confident70.8Confident7 Ų750.9 Ų50.94%0.03729%0.291CS..Hα-helixtrans-63.7-41.2172.4-73.6172.4000110.9V9 L12 F20 F75 D76 M81 M82 V83V9-L79 HydrophobicContact CG1-CB 3.88Å; V9-L79 HydrophobicContact CG1-CD1 3.96Å; V9-L79 HydrophobicContact CG2-CB 4.02Å; L12-L79 HydrophobicContact CD1-CD2 4.1Å; F20-L79 HydrophobicContact CB-CD2 3.59Å; F20-L79 HydrophobicContact CD2-CD2 3.6Å; F20-L79 HydrophobicContact CG-CD2 3.89Å; F75-L79 HydrophobicContact CD1-CD1 4.22Å; F75-L79 HydrophobicContact CE1-CD1 3.74Å; F75-L79 HydrophobicContact CE1-CG 4.31Å; F75-L79 HydrophobicContact CE2-CD2 4.36Å; F75-L79 HydrophobicContact CE2-CG 4.25Å; F75-L79 HydrophobicContact CZ-CD1 3.92Å; F75-L79 HydrophobicContact CZ-CD2 4.13Å; F75-L79 HydrophobicContact CZ-CG 4.07Å; F75-L79 WeakPolarHBondContact O-CG 3.33Å; F75-L79 PolarHBondContact O-N 2.9Å; D76-L79 PolarHBondContact O-N 2.99Å; L79-M81 VanDerWaalsContact C-N 3.33Å; L79-M82 PolarHBondContact O-N 3.27Å; L79-V83 VanDerWaalsContact O-CB 3.3Å; L79-V83 WeakPolarHBondContact O-CB 3.2Å; L79-V83 WeakPolarHBondContact O-CG2 2.9Å; L79-V83 PolarHBondContact O-N 3.5Å
80V77.4Confident69.9Low27 Ų2752.6 Ų52.616%0.16429%0.293CS..Hα-helixtrans-62.4-42.1173.7171.60000110.8Y5 V9 D76 E77 F78 V83 R84Y5-V80 HydrophobicContact CG-CG1 4.48Å; V9-V80 HydrophobicContact CG2-CG2 3.87Å; D76-V80 WeakPolarHBondContact O-CG2 2.84Å; D76-V80 PolarHBondContact O-N 3.3Å; D76-V80 VanDerWaalsContact O-N 3.1Å; E77-V80 WeakPolarHBondContact O-CB 3.41Å; E77-V80 PolarHBondContact O-N 3.43Å; F78-V80 VanDerWaalsContact C-N 3.32Å; V80-V83 PolarHBondContact O-N 3.2Å; V80-R84 WeakPolarHBondContact O-CB 3.44Å; V80-R84 WeakPolarHBondContact O-CG 3.37Å; V80-R84 PolarHBondContact O-N 2.94Å
81M75.8Confident68.6Low23 Ų2354.3 Ų54.311%0.11329%0.292CS..Hα-helixtrans-62-46.9175.9-169.1-173.7179.700111.8L41 M60 V64 E77 F78 L79 R84 C85L41-M81 HydrophobicContact CD1-CE 3.88Å; L41-M81 HydrophobicContact CD1-SD 4.46Å; L41-M81 HydrophobicContact CD2-CE 3.92Å; M60-M81 HydrophobicContact CB-CE 4.02Å; M60-M81 HydrophobicContact CE-CE 3.41Å; M60-M81 VanDerWaalsContact CE-CE 3.41Å; M60-M81 HydrophobicContact SD-CE 4.27Å; V64-M81 HydrophobicContact CG1-CB 3.98Å; V64-M81 HydrophobicContact CG1-CG 4.17Å; V64-M81 HydrophobicContact CG2-CB 4.49Å; E77-M81 WeakPolarHBondContact O-CB 3.27Å; E77-M81 PolarHBondContact O-N 3.03Å; F78-M81 WeakPolarHBondContact O-CB 3.49Å; F78-M81 PolarHBondContact O-N 3.49Å; L79-M81 VanDerWaalsContact C-N 3.33Å; M81-R84 CarbonylContact O-C 3.57Å; M81-R84 WeakPolarHBondContact O-CB 3.46Å; M81-R84 PolarHBondContact O-N 2.81Å; M81-C85 WeakPolarHBondContact O-CB 3.49Å; M81-C85 PolarHBondContact O-N 3.17Å
82M74.5Confident67.7Low45 Ų4555.5 Ų55.522%0.22231%0.305CS..Hα-helixtrans-67.6-38.5178.8-78.8-66.7175.400112.1F20 F27 F78 L79 R84 C85 M86F20-M82 HydrophobicContact CD1-CB 3.92Å; F20-M82 HydrophobicContact CD1-CG 3.89Å; F20-M82 HydrophobicContact CD1-SD 4.4Å; F20-M82 HydrophobicContact CE1-CB 3.8Å; F20-M82 HydrophobicContact CE1-CG 4.13Å; F20-M82 HydrophobicContact CE1-SD 4.35Å; F20-M82 HydrophobicContact CZ-CB 4.29Å; F27-M82 HydrophobicContact CE2-CE 4.2Å; F27-M82 HydrophobicContact CZ-CE 4.27Å; F78-M82 HydrophobicContact CD1-CG 4.1Å; F78-M82 HydrophobicContact CD2-CG 4.46Å; F78-M82 HydrophobicContact CE1-CE 4.09Å; F78-M82 HydrophobicContact CE1-CG 3.71Å; F78-M82 HydrophobicContact CE2-CE 3.49Å; F78-M82 VanDerWaalsContact CE2-CE 3.49Å; F78-M82 HydrophobicContact CE2-CG 4.14Å; F78-M82 HydrophobicContact CG-CG 4.48Å; F78-M82 HydrophobicContact CZ-CE 3.23Å; F78-M82 HydrophobicContact CZ-CG 3.78Å; F78-M82 HydrophobicContact CZ-SD 4.33Å; F78-M82 WeakPolarHBondContact O-CB 3.46Å; F78-M82 WeakPolarHBondContact O-CG 3.47Å; F78-M82 PolarHBondContact O-N 3.28Å; L79-M82 PolarHBondContact O-N 3.27Å; M82-R84 VanDerWaalsContact C-N 3.33Å; M82-C85 PolarHBondContact O-N 3.37Å; M82-M86 VanDerWaalsContact O-CB 3.24Å; M82-M86 WeakPolarHBondContact O-CB 3.4Å; M82-M86 WeakPolarHBondContact O-CG 3.44Å; M82-M86 PolarHBondContact O-N 3.15Å
83V72.6Confident66.5Low8 Ų858.2 Ų58.25%0.04831%0.314CS..Hα-helixtrans-69.9-32.4173.6170.60000111.2A8 V9 L12 L79 V80 K87A8-V83 HydrophobicContact CB-CG1 3.46Å; A8-V83 VanDerWaalsContact CB-CG1 3.46Å; V9-V83 HydrophobicContact CG2-CB 4.31Å; V9-V83 HydrophobicContact CG2-CG2 3.92Å; L12-V83 HydrophobicContact CD1-CG2 3.7Å; L12-V83 HydrophobicContact CD2-CG2 4.13Å; L12-V83 HydrophobicContact CG-CG2 4.11Å; L79-V83 VanDerWaalsContact O-CB 3.3Å; L79-V83 WeakPolarHBondContact O-CB 3.2Å; L79-V83 WeakPolarHBondContact O-CG2 2.9Å; L79-V83 PolarHBondContact O-N 3.5Å; V80-V83 PolarHBondContact O-N 3.2Å; V83-K87 HydrophobicContact CG1-CD 4.43Å; V83-K87 WeakPolarHBondContact O-CB 3.33Å; V83-K87 VanDerWaalsContact O-CG 3.29Å; V83-K87 WeakPolarHBondContact O-CG 2.97Å; V83-K87 PolarHBondContact O-N 3Å
84R67.4Low65.3Low58 Ų5861.5 Ų61.522%0.21933%0.334CS..Hα-helixtrans-66.1-51.2170.5-84.9174.689.9156.2-5.5110.7Y5 E63 V80 M81 M82 K87 D88Y5-R84 HydrophobicContact CD1-CG 3.45Å; Y5-R84 VanDerWaalsContact CD1-CG 3.45Å; Y5-R84 HydrophobicContact CE1-CG 3.34Å; Y5-R84 HydrophobicContact CG-CG 4.18Å; E63-R84 PolarHBondContact O-NH1 2.78Å; E63-R84 VanDerWaalsContact O-NH1 3.15Å; E63-R84 IonicContact OE2-CZ 2.81Å; E63-R84 IonicContact OE2-NH2 3.77Å; E63-R84 PolarHBondContact OE2-NH2 3.25Å; V80-R84 WeakPolarHBondContact O-CB 3.44Å; V80-R84 WeakPolarHBondContact O-CG 3.37Å; V80-R84 PolarHBondContact O-N 2.94Å; M81-R84 CarbonylContact O-C 3.57Å; M81-R84 WeakPolarHBondContact O-CB 3.46Å; M81-R84 PolarHBondContact O-N 2.81Å; M82-R84 VanDerWaalsContact C-N 3.33Å; R84-K87 CarbonylContact O-C 3.31Å; R84-K87 VanDerWaalsContact O-C 3.27Å; R84-K87 WeakPolarHBondContact O-CA 3.44Å; R84-K87 PolarHBondContact O-N 2.92Å; R84-K87 VanDerWaalsContact O-N 3.1Å; R84-D88 WeakPolarHBondContact O-CB 3.04Å; R84-D88 PolarHBondContact O-N 3.1Å
85C62.5Low64.2Low58 Ų5865.9 Ų65.939%0.39235%0.353SS..Hα-helixtrans-61.3-46178.4-1590000111M81 M82 K87 D88 D89M81-C85 WeakPolarHBondContact O-CB 3.49Å; M81-C85 PolarHBondContact O-N 3.17Å; M82-C85 PolarHBondContact O-N 3.37Å; C85-K87 VanDerWaalsContact C-N 3.31Å; C85-K87 PolarHBondContact O-N 2.7Å; C85-D88 CarbonylContact O-C 3.6Å; C85-D88 WeakPolarHBondContact O-CA 3.36Å; C85-D88 WeakPolarHBondContact O-CB 3.44Å; C85-D88 PolarHBondContact O-N 2.86Å; C85-D89 WeakPolarHBondContact O-CB 3.29Å; C85-D89 PolarHBondContact O-N 3.46Å; C85-D89 VanDerWaalsContact O-OD2 3.09Å
86M57.8Low63.2Low87 Ų8770.7 Ų70.743%0.42938%0.376SS..Hα-helixtrans-63-36.7173.5-78.7-168.3167.900112.5F20 M82 D88 S90F20-M86 HydrophobicContact CE1-CE 3.61Å; F20-M86 HydrophobicContact CE1-SD 4.14Å; F20-M86 HydrophobicContact CZ-CE 3.5Å; F20-M86 VanDerWaalsContact CZ-CE 3.5Å; F20-M86 HydrophobicContact CZ-SD 3.55Å; F20-M86 VanDerWaalsContact CZ-SD 3.55Å; M82-M86 VanDerWaalsContact O-CB 3.24Å; M82-M86 WeakPolarHBondContact O-CB 3.4Å; M82-M86 WeakPolarHBondContact O-CG 3.44Å; M82-M86 PolarHBondContact O-N 3.15Å; M86-D88 VanDerWaalsContact C-N 3.29Å; M86-S90 WeakPolarHBondContact O-CA 3.38Å; M86-S90 WeakPolarHBondContact O-CB 3.42Å; M86-S90 PolarHBondContact O-N 2.79Å; M86-S90 PolarHBondContact O-OG 2.69Å
87K52.4Low62.5Low70 Ų7069.9 Ų69.930%0.30437%0.369SS..Hα-helixtrans-76.5-12.1170.7-79-170.4173.2-165.50112.6V83 R84 C85 K91V83-K87 HydrophobicContact CG1-CD 4.43Å; V83-K87 WeakPolarHBondContact O-CB 3.33Å; V83-K87 VanDerWaalsContact O-CG 3.29Å; V83-K87 WeakPolarHBondContact O-CG 2.97Å; V83-K87 PolarHBondContact O-N 3Å; R84-K87 CarbonylContact O-C 3.31Å; R84-K87 VanDerWaalsContact O-C 3.27Å; R84-K87 WeakPolarHBondContact O-CA 3.44Å; R84-K87 PolarHBondContact O-N 2.92Å; R84-K87 VanDerWaalsContact O-N 3.1Å; C85-K87 VanDerWaalsContact C-N 3.31Å; C85-K87 PolarHBondContact O-N 2.7Å; K87-K91 HydrophobicContact CB-CD 4.24Å; K87-K91 HydrophobicContact CB-CG 4.24Å; K87-K91 VanDerWaalsContact O-CA 3.27Å; K87-K91 WeakPolarHBondContact O-CA 3.45Å; K87-K91 WeakPolarHBondContact O-CB 3.13Å; K87-K91 WeakPolarHBondContact O-CD 3.34Å; K87-K91 WeakPolarHBondContact O-CG 3.44Å; K87-K91 PolarHBondContact O-N 3.38Å
88D48.3Very low62.1Low120 Ų12069.3 Ų69.364%0.64237%0.366SS*.Hα-helixtrans-87.4-38.9172.6-122.4-114.5000109.1R84 C85 M86 S90R84-D88 WeakPolarHBondContact O-CB 3.04Å; R84-D88 PolarHBondContact O-N 3.1Å; C85-D88 CarbonylContact O-C 3.6Å; C85-D88 WeakPolarHBondContact O-CA 3.36Å; C85-D88 WeakPolarHBondContact O-CB 3.44Å; C85-D88 PolarHBondContact O-N 2.86Å; M86-D88 VanDerWaalsContact C-N 3.29Å; D88-S90 VanDerWaalsContact C-N 3.34Å
89D41.8Very low61.8Low135 Ų13571 Ų7172%0.72238%0.38SS*.Hα-helixtrans-69.8-26168-79.2-86.2000112.9C85C85-D89 WeakPolarHBondContact O-CB 3.29Å; C85-D89 PolarHBondContact O-N 3.46Å; C85-D89 VanDerWaalsContact O-OD2 3.09Å
90S40.8Very low61.6Low99 Ų9977 Ų7769%0.69241%0.408SS*.Hα-helixtrans-114.3-9.8-178.7-46.60000115M86 D88M86-S90 WeakPolarHBondContact O-CA 3.38Å; M86-S90 WeakPolarHBondContact O-CB 3.42Å; M86-S90 PolarHBondContact O-N 2.79Å; M86-S90 PolarHBondContact O-OG 2.69Å; D88-S90 VanDerWaalsContact C-N 3.34Å
91K43.7Very low61.5Low100 Ų10077.4 Ų77.444%0.43541%0.409SS..SBendtrans-82.1124.3163-77166.6-178.6173.40104.7K87 K93K87-K91 HydrophobicContact CB-CD 4.24Å; K87-K91 HydrophobicContact CB-CG 4.24Å; K87-K91 VanDerWaalsContact O-CA 3.27Å; K87-K91 WeakPolarHBondContact O-CA 3.45Å; K87-K91 WeakPolarHBondContact O-CB 3.13Å; K87-K91 WeakPolarHBondContact O-CD 3.34Å; K87-K91 WeakPolarHBondContact O-CG 3.44Å; K87-K91 PolarHBondContact O-N 3.38Å; K91-K93 PolarHBondContact O-N 2.76Å
92G54.3Low61.7Low54 Ų5477 Ų7756%0.55741%0.407SS*.  trans-39.8138.1174.100000111.6
93K54.7Low62.1Low83 Ų8384.4 Ų84.436%0.36143%0.433SS..  trans-16130.6168.3-70.9142.4168-170.30112.3K91 E97 L98 L101 M158K91-K93 PolarHBondContact O-N 2.76Å; K93-E97 HydrophobicContact CB-CB 3.94Å; K93-E97 HydrophobicContact CG-CB 4.44Å; K93-L98 HydrophobicContact CB-CD1 4.41Å; K93-L98 HydrophobicContact CB-CD2 3.68Å; K93-L98 HydrophobicContact CB-CG 3.63Å; K93-L98 HydrophobicContact CD-CD2 3.97Å; K93-L98 HydrophobicContact CG-CD2 4.48Å; K93-L98 WeakPolarHBondContact O-CD1 3.49Å; K93-L98 WeakPolarHBondContact O-CG 3.43Å; K93-L101 HydrophobicContact CD-CD1 3.36Å; K93-L101 HydrophobicContact CG-CD1 3.93Å; K93-L101 VanDerWaalsContact NZ-CD1 3.34Å; K93-M158 HydrophobicContact CD-CE 4.45Å; K93-M158 HydrophobicContact CD-SD 4.08Å; K93-M158 VanDerWaalsContact NZ-CE 3.3Å
94T58.2Low62.4Low71 Ų7189.4 Ų89.444%0.43646%0.457SS..  trans-53.7156.9176.860.30000111E96 E97 L98T94-E96 PolarHBondContact O-N 2.65Å; T94-E96 VanDerWaalsContact O-N 3.09Å; T94-E97 PolarHBondContact N-OE2 3.24Å; T94-E97 CarbonylContact O-C 3.27Å; T94-E97 PolarHBondContact O-N 2.82Å; T94-E97 WeakPolarHBondContact OG1-CB 3.41Å; T94-E97 VanDerWaalsContact OG1-CG 3.31Å; T94-E97 WeakPolarHBondContact OG1-CG 3.36Å; T94-E97 PolarHBondContact OG1-N 2.99Å; T94-E97 VanDerWaalsContact OG1-N 3.16Å; T94-E97 PolarHBondContact OG1-OE2 3.14Å; T94-L98 WeakPolarHBondContact O-CG 3.26Å; T94-L98 PolarHBondContact O-N 2.95Å
95E60.9Low62.9Low147 Ų14787.7 Ų87.769%0.68745%0.451SS*.Hα-helixtrans-55.3-31.9178.2-164174.7105.400111.7A99 Y151E95-A99 WeakPolarHBondContact O-CB 3.23Å; E95-A99 PolarHBondContact O-N 3.24Å; E95-Y151 WeakPolarHBondContact CG-OH 3.43Å; E95-Y151 PolarHBondContact O-OH 3.2Å
96E62.1Low64Low160 Ų16085.6 Ų85.675%0.74844%0.436SS*.Hα-helixtrans-66.8-48172.7-66.1-179.190.600112.2T94 A99 E100T94-E96 PolarHBondContact O-N 2.65Å; T94-E96 VanDerWaalsContact O-N 3.09Å; E96-A99 PolarHBondContact O-N 3.25Å; E96-E100 WeakPolarHBondContact O-CG 3.42Å; E96-E100 PolarHBondContact O-N 3.13Å
97E64.9Low65.1Low95 Ų9587.7 Ų87.744%0.44444%0.442SS..Hα-helixtrans-66.1-37.5175.1-74.8-177.711700112.7K93 T94 A99 E100 L101K93-E97 HydrophobicContact CB-CB 3.94Å; K93-E97 HydrophobicContact CG-CB 4.44Å; T94-E97 PolarHBondContact N-OE2 3.24Å; T94-E97 CarbonylContact O-C 3.27Å; T94-E97 PolarHBondContact O-N 2.82Å; T94-E97 WeakPolarHBondContact OG1-CB 3.41Å; T94-E97 VanDerWaalsContact OG1-CG 3.31Å; T94-E97 WeakPolarHBondContact OG1-CG 3.36Å; T94-E97 PolarHBondContact OG1-N 2.99Å; T94-E97 VanDerWaalsContact OG1-N 3.16Å; T94-E97 PolarHBondContact OG1-OE2 3.14Å; E97-A99 VanDerWaalsContact C-N 3.32Å; E97-E100 PolarHBondContact O-N 3.45Å; E97-L101 VanDerWaalsContact O-CB 3.3Å; E97-L101 WeakPolarHBondContact O-CB 3.34Å; E97-L101 WeakPolarHBondContact O-CD1 3.39Å; E97-L101 PolarHBondContact O-N 3.43Å
98L72.6Confident66.7Low8 Ų888.2 Ų88.24%0.04245%0.449CS..Hα-helixtrans-65.5-37.6173.6-71.9170.8000110.8K93 T94 F102 F154 L155 M158K93-L98 HydrophobicContact CB-CD1 4.41Å; K93-L98 HydrophobicContact CB-CD2 3.68Å; K93-L98 HydrophobicContact CB-CG 3.63Å; K93-L98 HydrophobicContact CD-CD2 3.97Å; K93-L98 HydrophobicContact CG-CD2 4.48Å; K93-L98 WeakPolarHBondContact O-CD1 3.49Å; K93-L98 WeakPolarHBondContact O-CG 3.43Å; T94-L98 WeakPolarHBondContact O-CG 3.26Å; T94-L98 PolarHBondContact O-N 2.95Å; L98-F102 WeakPolarHBondContact O-CB 3.37Å; L98-F102 PolarHBondContact O-N 3.14Å; L98-F154 HydrophobicContact CB-CE1 4.43Å; L98-F154 HydrophobicContact CD2-CE1 3.92Å; L98-L155 HydrophobicContact CB-CD2 3.76Å; L98-L155 HydrophobicContact CD1-CD2 3.33Å; L98-L155 HydrophobicContact CG-CD2 4.07Å; L98-M158 HydrophobicContact CD2-CB 3.66Å; L98-M158 HydrophobicContact CD2-CG 3.62Å; L98-M158 HydrophobicContact CD2-SD 4.24Å
99A74.7Confident68.4Low36 Ų3686.5 Ų86.530%0.29845%0.451SS..Hα-helixtrans-68.1-38.3173.300000112.5E95 E96 E97 R103 Y151E95-A99 WeakPolarHBondContact O-CB 3.23Å; E95-A99 PolarHBondContact O-N 3.24Å; E96-A99 PolarHBondContact O-N 3.25Å; E97-A99 VanDerWaalsContact C-N 3.32Å; A99-R103 WeakPolarHBondContact O-CB 3.49Å; A99-R103 PolarHBondContact O-N 2.93Å; A99-Y151 HydrophobicContact CB-CE2 4.23Å
100E75.9Confident70.5Confident133 Ų13383.2 Ų83.262%0.62143%0.433SS*.Hα-helixtrans-67.3-44.4173.6-74.4-161.294.100111.7E96 E97 R103 M104E96-E100 WeakPolarHBondContact O-CG 3.42Å; E96-E100 PolarHBondContact O-N 3.13Å; E97-E100 PolarHBondContact O-N 3.45Å; E100-R103 CarbonylContact O-C 3.56Å; E100-R103 WeakPolarHBondContact O-CB 3.18Å; E100-R103 PolarHBondContact O-N 3.25Å; E100-M104 VanDerWaalsContact O-CG 3.31Å; E100-M104 WeakPolarHBondContact O-CG 3.47Å; E100-M104 PolarHBondContact O-N 2.72Å
101L76.8Confident72.6Confident36 Ų3680.1 Ų80.119%0.18842%0.417CS..Hα-helixtrans-59.4-49.8172.6-89148.1000110.9K93 E97 R103 M104 F105 F154K93-L101 HydrophobicContact CD-CD1 3.36Å; K93-L101 HydrophobicContact CG-CD1 3.93Å; K93-L101 VanDerWaalsContact NZ-CD1 3.34Å; E97-L101 VanDerWaalsContact O-CB 3.3Å; E97-L101 WeakPolarHBondContact O-CB 3.34Å; E97-L101 WeakPolarHBondContact O-CD1 3.39Å; E97-L101 PolarHBondContact O-N 3.43Å; L101-R103 VanDerWaalsContact C-N 3.27Å; L101-R103 PolarHBondContact O-N 3.26Å; L101-M104 CarbonylContact O-C 3.59Å; L101-M104 WeakPolarHBondContact O-CA 3.38Å; L101-M104 WeakPolarHBondContact O-CB 3.44Å; L101-M104 PolarHBondContact O-N 2.99Å; L101-F105 HydrophobicContact CD2-CD2 4.42Å; L101-F105 HydrophobicContact CD2-CE2 3.68Å; L101-F105 WeakPolarHBondContact O-CD2 3.4Å; L101-F105 PolarHBondContact O-N 2.74Å; L101-F154 HydrophobicContact CB-CE1 4.36Å; L101-F154 HydrophobicContact CB-CZ 4.11Å
102F79.9Confident74.8Confident14 Ų1480 Ų806%0.06142%0.415CS..Hα-helixtrans-54.9-44.6176.8-170.4-90.7000111.4L98 M104 F105 D106 G111 I113 Y151 F154L98-F102 WeakPolarHBondContact O-CB 3.37Å; L98-F102 PolarHBondContact O-N 3.14Å; F102-M104 VanDerWaalsContact C-N 3.32Å; F102-M104 PolarHBondContact O-N 3.26Å; F102-F105 PolarHBondContact O-N 3Å; F102-D106 HydrophobicContact CD1-CB 4.44Å; F102-D106 HydrophobicContact CE1-CB 4.22Å; F102-D106 WeakPolarHBondContact O-CB 3.32Å; F102-D106 PolarHBondContact O-N 3.43Å; F102-G111 VanDerWaalsContact CZ-O 3.28Å; F102-G111 WeakPolarHBondContact CZ-O 3.4Å; F102-I113 HydrophobicContact CD2-CD1 3.5Å; F102-I113 HydrophobicContact CD2-CG1 4.04Å; F102-I113 HydrophobicContact CE2-CD1 3.58Å; F102-I113 HydrophobicContact CE2-CG1 3.7Å; F102-I113 HydrophobicContact CG-CD1 4.33Å; F102-I113 HydrophobicContact CZ-CD1 4.44Å; F102-I113 HydrophobicContact CZ-CG1 4.1Å; F102-Y151 HydrophobicContact CB-CD2 4.05Å; F102-Y151 HydrophobicContact CB-CE2 4.24Å; F102-Y151 HydrophobicContact CD1-CD2 4.17Å; F102-Y151 AromaticContact CD2-CD2 3.95Å; F102-Y151 HydrophobicContact CD2-CD2 3.95Å; F102-Y151 HydrophobicContact CE2-CD2 4.47Å; F102-Y151 AromaticContact CG-CD2 3.78Å; F102-Y151 HydrophobicContact CG-CD2 3.78Å; F102-Y151 HydrophobicContact CG-CE2 4.45Å; F102-F154 HydrophobicContact CB-CD1 4.24Å; F102-F154 HydrophobicContact CB-CE1 4.18Å; F102-F154 HydrophobicContact CD2-CB 3.79Å; F102-F154 AromaticContact CD2-CD1 3.86Å; F102-F154 HydrophobicContact CD2-CD1 3.86Å; F102-F154 HydrophobicContact CD2-CD2 4.28Å; F102-F154 HydrophobicContact CD2-CE1 4.48Å; F102-F154 AromaticContact CD2-CG 3.73Å; F102-F154 HydrophobicContact CD2-CG 3.73Å; F102-F154 HydrophobicContact CE2-CB 4Å; F102-F154 HydrophobicContact CE2-CG 4.38Å
103R81.2Confident76.5Confident201 Ų20177.5 Ų77.576%0.75839%0.388SS*.Hα-helixtrans-65.1-29.7172.9-86.8-177.5172.7169.42.6114.7A99 E100 L101 F105A99-R103 WeakPolarHBondContact O-CB 3.49Å; A99-R103 PolarHBondContact O-N 2.93Å; E100-R103 CarbonylContact O-C 3.56Å; E100-R103 WeakPolarHBondContact O-CB 3.18Å; E100-R103 PolarHBondContact O-N 3.25Å; L101-R103 VanDerWaalsContact C-N 3.27Å; L101-R103 PolarHBondContact O-N 3.26Å; R103-F105 VanDerWaalsContact C-N 3.32Å
104M78.6Confident78.1Confident113 Ų11375.4 Ų75.456%0.55738%0.381SS*.Hα-helixtrans-74.2-29.5175.4-71.7-172.4101.600111.4E100 L101 F102 K107 M121E100-M104 VanDerWaalsContact O-CG 3.31Å; E100-M104 WeakPolarHBondContact O-CG 3.47Å; E100-M104 PolarHBondContact O-N 2.72Å; L101-M104 CarbonylContact O-C 3.59Å; L101-M104 WeakPolarHBondContact O-CA 3.38Å; L101-M104 WeakPolarHBondContact O-CB 3.44Å; L101-M104 PolarHBondContact O-N 2.99Å; F102-M104 VanDerWaalsContact C-N 3.32Å; F102-M104 PolarHBondContact O-N 3.26Å; M104-K107 PolarHBondContact O-NZ 2.88Å; M104-M121 HydrophobicContact CB-CE 3.4Å; M104-M121 VanDerWaalsContact CB-CE 3.4Å; M104-M121 HydrophobicContact CG-CE 4.48Å; M104-M121 WeakPolarHBondContact O-CE 3.44Å
105F79.6Confident79.5Confident22 Ų2275.4 Ų75.410%0.09638%0.378CS..Hα-helixtrans-78.9-53.1177-78.5-120.3000110.9L101 F102 R103 K107 I113 L118 M121L101-F105 HydrophobicContact CD2-CD2 4.42Å; L101-F105 HydrophobicContact CD2-CE2 3.68Å; L101-F105 WeakPolarHBondContact O-CD2 3.4Å; L101-F105 PolarHBondContact O-N 2.74Å; F102-F105 PolarHBondContact O-N 3Å; R103-F105 VanDerWaalsContact C-N 3.32Å; F105-K107 PolarHBondContact O-N 3.28Å; F105-I113 HydrophobicContact CB-CD1 3.51Å; F105-I113 HydrophobicContact CB-CG1 3.79Å; F105-I113 HydrophobicContact CB-CG2 4.26Å; F105-I113 HydrophobicContact CD1-CD1 4.12Å; F105-I113 HydrophobicContact CD1-CG2 4.38Å; F105-I113 HydrophobicContact CG-CD1 4.07Å; F105-L118 HydrophobicContact CD1-CD1 4.08Å; F105-L118 HydrophobicContact CE1-CD1 3.91Å; F105-M121 HydrophobicContact CB-CG 4.35Å; F105-M121 HydrophobicContact CD1-CB 3.89Å; F105-M121 HydrophobicContact CD1-CG 3.86Å; F105-M121 HydrophobicContact CD2-CB 4.45Å; F105-M121 HydrophobicContact CD2-CE 3.91Å; F105-M121 HydrophobicContact CD2-CG 3.61Å; F105-M121 HydrophobicContact CD2-SD 4Å; F105-M121 HydrophobicContact CE1-CB 3.81Å; F105-M121 HydrophobicContact CE1-CG 4.02Å; F105-M121 HydrophobicContact CE2-CB 4.4Å; F105-M121 HydrophobicContact CE2-CE 4.07Å; F105-M121 HydrophobicContact CE2-CG 3.79Å; F105-M121 HydrophobicContact CE2-SD 3.76Å; F105-M121 HydrophobicContact CG-CB 4.24Å; F105-M121 HydrophobicContact CG-CG 3.68Å; F105-M121 HydrophobicContact CZ-CB 4.1Å; F105-M121 HydrophobicContact CZ-CG 4Å; F105-M121 HydrophobicContact CZ-SD 4.18Å
106D85Confident80.7Confident13 Ų1373.3 Ų73.37%0.0737%0.372CS..  trans-69.890175.1176.96.9000110.5F102 N108 A109 D110 G111 I113F102-D106 HydrophobicContact CD1-CB 4.44Å; F102-D106 HydrophobicContact CE1-CB 4.22Å; F102-D106 WeakPolarHBondContact O-CB 3.32Å; F102-D106 PolarHBondContact O-N 3.43Å; D106-N108 VanDerWaalsContact C-N 3.33Å; D106-N108 PolarHBondContact OD1-N 3.03Å; D106-N108 PolarHBondContact OD1-OD1 3.36Å; D106-A109 VanDerWaalsContact CG-CA 3.5Å; D106-A109 WeakPolarHBondContact OD1-CA 3.24Å; D106-A109 PolarHBondContact OD1-N 3.38Å; D106-A109 WeakPolarHBondContact OD2-CA 3.43Å; D106-D110 PolarHBondContact OD1-N 2.89Å; D106-D110 PolarHBondContact OD2-N 2.84Å; D106-G111 WeakPolarHBondContact OD2-CA 3.44Å; D106-G111 PolarHBondContact OD2-N 3.11Å; D106-I113 HydrophobicContact CB-CG1 4.48Å
107K81.1Confident82Confident131 Ų13166 Ų6657%0.5734%0.338SS*.SBendtrans-73.6-31.4-178.1-70.8-54.5-170.8-151.50111.8M104 F105 A109 E117M104-K107 PolarHBondContact O-NZ 2.88Å; F105-K107 PolarHBondContact O-N 3.28Å; K107-A109 VanDerWaalsContact C-N 3.34Å; K107-E117 HydrophobicContact CB-CG 4.47Å; K107-E117 PolarHBondContact N-OE1 2.77Å
108N85.3Confident82.9Confident82 Ų8262 Ų6244%0.43932%0.319SS..SBendtrans-87.9-9.5-174.372.843.7000112.3D106 D110 E117D106-N108 VanDerWaalsContact C-N 3.33Å; D106-N108 PolarHBondContact OD1-N 3.03Å; D106-N108 PolarHBondContact OD1-OD1 3.36Å; N108-D110 VanDerWaalsContact C-N 3.27Å; N108-D110 PolarHBondContact O-N 3.18Å; N108-D110 WeakPolarHBondContact OD1-CA 3.48Å; N108-D110 WeakPolarHBondContact OD1-CB 3.21Å; N108-D110 PolarHBondContact OD1-N 3.48Å; N108-D110 PolarHBondContact OD1-OD1 3.06Å; N108-E117 VanDerWaalsContact CG-OE1 3.22Å; N108-E117 PolarHBondContact N-OE1 3.47Å; N108-E117 VanDerWaalsContact N-OE1 3.14Å; N108-E117 PolarHBondContact ND2-OE1 2.91Å
109A84.2Confident83.5Confident83 Ų8364.2 Ų64.269%0.68633%0.328SS*.  trans5832.3-177.600000113.5D106 K107 G111D106-A109 VanDerWaalsContact CG-CA 3.5Å; D106-A109 WeakPolarHBondContact OD1-CA 3.24Å; D106-A109 PolarHBondContact OD1-N 3.38Å; D106-A109 WeakPolarHBondContact OD2-CA 3.43Å; K107-A109 VanDerWaalsContact C-N 3.34Å; A109-G111 VanDerWaalsContact C-N 3.28Å
110D86.9Confident83.8Confident67 Ų6766.5 Ų66.536%0.35833%0.334SS..SBendtrans-82.3-6.8177.679.6-3.9000113D106 N108 Y112 K148D106-D110 PolarHBondContact OD1-N 2.89Å; D106-D110 PolarHBondContact OD2-N 2.84Å; N108-D110 VanDerWaalsContact C-N 3.27Å; N108-D110 PolarHBondContact O-N 3.18Å; N108-D110 WeakPolarHBondContact OD1-CA 3.48Å; N108-D110 WeakPolarHBondContact OD1-CB 3.21Å; N108-D110 PolarHBondContact OD1-N 3.48Å; N108-D110 PolarHBondContact OD1-OD1 3.06Å; D110-Y112 VanDerWaalsContact O-CD2 3.3Å; D110-Y112 WeakPolarHBondContact O-CD2 3.3Å; D110-Y112 WeakPolarHBondContact OD1-CA 3.39Å; D110-Y112 WeakPolarHBondContact OD1-CB 3.31Å; D110-Y112 PolarHBondContact OD1-N 3.24Å; D110-Y112 VanDerWaalsContact OD1-O 3.11Å; D110-K148 IonicContact OD2-NZ 2.79Å; D110-K148 PolarHBondContact OD2-NZ 3.49Å
111G85Confident84Confident34 Ų3461.4 Ų61.435%0.35131%0.31SS..SBendtrans87.212.8179.900000113.8F102 D106 A109F102-G111 VanDerWaalsContact CZ-O 3.28Å; F102-G111 WeakPolarHBondContact CZ-O 3.4Å; D106-G111 WeakPolarHBondContact OD2-CA 3.44Å; D106-G111 PolarHBondContact OD2-N 3.11Å; A109-G111 VanDerWaalsContact C-N 3.28Å
112Y89.5Confident84Confident97 Ų9760.9 Ų60.938%0.3831%0.308SS..EExtended strand (participates in β ladder)trans-136.4152.3179-57.7-88.2000109.9D110 K148 D150D110-Y112 VanDerWaalsContact O-CD2 3.3Å; D110-Y112 WeakPolarHBondContact O-CD2 3.3Å; D110-Y112 WeakPolarHBondContact OD1-CA 3.39Å; D110-Y112 WeakPolarHBondContact OD1-CB 3.31Å; D110-Y112 PolarHBondContact OD1-N 3.24Å; D110-Y112 VanDerWaalsContact OD1-O 3.11Å; Y112-K148 HydrophobicContact CD1-CB 4.35Å; Y112-K148 HydrophobicContact CD1-CD 4.48Å; Y112-K148 HydrophobicContact CG-CD 4.14Å; Y112-D150 HydrophobicContact CD1-CB 3.84Å; Y112-D150 HydrophobicContact CE1-CB 3.81Å
113I88.6Confident83.9Confident1 Ų166.4 Ų66.41%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-104.6115.6170.8-58.6166.6000107.5F102 F105 D106 E117 L118 I149 F154F102-I113 HydrophobicContact CD2-CD1 3.5Å; F102-I113 HydrophobicContact CD2-CG1 4.04Å; F102-I113 HydrophobicContact CE2-CD1 3.58Å; F102-I113 HydrophobicContact CE2-CG1 3.7Å; F102-I113 HydrophobicContact CG-CD1 4.33Å; F102-I113 HydrophobicContact CZ-CD1 4.44Å; F102-I113 HydrophobicContact CZ-CG1 4.1Å; F105-I113 HydrophobicContact CB-CD1 3.51Å; F105-I113 HydrophobicContact CB-CG1 3.79Å; F105-I113 HydrophobicContact CB-CG2 4.26Å; F105-I113 HydrophobicContact CD1-CD1 4.12Å; F105-I113 HydrophobicContact CD1-CG2 4.38Å; F105-I113 HydrophobicContact CG-CD1 4.07Å; D106-I113 HydrophobicContact CB-CG1 4.48Å; I113-E117 HydrophobicContact CG2-CB 4.2Å; I113-L118 HydrophobicContact CG2-CB 4.08Å; I113-I149 HydrophobicContact CB-CB 4.34Å; I113-I149 PolarHBondContact N-O 3.13Å; I113-I149 PolarHBondContact O-N 3.23Å; I113-F154 HydrophobicContact CD1-CD2 3.63Å; I113-F154 HydrophobicContact CD1-CE2 3.9Å; I113-F154 HydrophobicContact CD1-CG 4.29Å
114D89.4Confident83.3Confident40 Ų4061.5 Ų61.521%0.21433%0.33CS..EExtended strand (participates in β ladder)trans-90.4168.317263.2-127.3000112.8D116 E117 L118D114-D116 PolarHBondContact O-N 3.25Å; D114-D116 PolarHBondContact OD2-N 3.13Å; D114-E117 PolarHBondContact N-OE2 2.82Å; D114-E117 VanDerWaalsContact N-OE2 3.1Å; D114-E117 WeakPolarHBondContact O-CB 3.48Å; D114-E117 PolarHBondContact O-N 2.8Å; D114-E117 WeakPolarHBondContact OD2-CG 3.47Å; D114-E117 PolarHBondContact OD2-N 2.73Å; D114-E117 VanDerWaalsContact OD2-N 3.14Å; D114-L118 PolarHBondContact O-N 3.21Å
115L87Confident82.7Confident71 Ų7160.3 Ų60.337%0.37233%0.329SS..Hα-helixtrans-60-33.8-174.5-169.2148.5000112.7K119 I134 E135 M138L115-K119 VanDerWaalsContact O-CB 3.28Å; L115-K119 WeakPolarHBondContact O-CB 3.15Å; L115-K119 PolarHBondContact O-N 3.28Å; L115-I134 HydrophobicContact CD2-CG2 4.33Å; L115-I134 HydrophobicContact CG-CG2 4.14Å; L115-E135 HydrophobicContact CD1-CG 4.44Å; L115-M138 HydrophobicContact CD1-CB 4.46Å; L115-M138 HydrophobicContact CD1-CG 4.34Å
116D87Confident82Confident102 Ų10262.5 Ų62.555%0.54536%0.359SS..Hα-helixtrans-72.3-39.5179.7-142.1-98.9000110.4D114 K119 M120D114-D116 PolarHBondContact O-N 3.25Å; D114-D116 PolarHBondContact OD2-N 3.13Å; D116-K119 PolarHBondContact O-N 3.48Å; D116-M120 HydrophobicContact CB-CE 4.46Å; D116-M120 WeakPolarHBondContact O-CE 3.4Å; D116-M120 WeakPolarHBondContact O-CG 3.41Å; D116-M120 PolarHBondContact O-N 2.81Å; D116-M120 WeakPolarHBondContact OD1-CE 3.42Å
117E88.1Confident81.2Confident8 Ų868.3 Ų68.34%0.03739%0.385CS..Hα-helixtrans-64.5-45.1173.3-72.4177146.900112.8K107 N108 I113 D114 K119 M120 M121K107-E117 HydrophobicContact CB-CG 4.47Å; K107-E117 PolarHBondContact N-OE1 2.77Å; N108-E117 VanDerWaalsContact CG-OE1 3.22Å; N108-E117 PolarHBondContact N-OE1 3.47Å; N108-E117 VanDerWaalsContact N-OE1 3.14Å; N108-E117 PolarHBondContact ND2-OE1 2.91Å; I113-E117 HydrophobicContact CG2-CB 4.2Å; D114-E117 PolarHBondContact N-OE2 2.82Å; D114-E117 VanDerWaalsContact N-OE2 3.1Å; D114-E117 WeakPolarHBondContact O-CB 3.48Å; D114-E117 PolarHBondContact O-N 2.8Å; D114-E117 WeakPolarHBondContact OD2-CG 3.47Å; D114-E117 PolarHBondContact OD2-N 2.73Å; D114-E117 VanDerWaalsContact OD2-N 3.14Å; E117-K119 VanDerWaalsContact C-N 3.34Å; E117-K119 PolarHBondContact O-N 2.8Å; E117-M120 PolarHBondContact O-N 3.41Å; E117-M121 PolarHBondContact O-N 3.24Å; E117-M121 VanDerWaalsContact O-N 3.09Å
118L84.8Confident80.6Confident11 Ų1167.1 Ų67.16%0.05840%0.4CS..Hα-helixtrans-59.6-45.5175-174.564.7000111.1F105 I113 D114 M121 L122 I134 L137 M138F105-L118 HydrophobicContact CD1-CD1 4.08Å; F105-L118 HydrophobicContact CE1-CD1 3.91Å; I113-L118 HydrophobicContact CG2-CB 4.08Å; D114-L118 PolarHBondContact O-N 3.21Å; L118-M121 PolarHBondContact O-N 3.28Å; L118-L122 HydrophobicContact CD1-CD1 4.22Å; L118-L122 HydrophobicContact CG-CD1 3.93Å; L118-L122 WeakPolarHBondContact O-CG 3.38Å; L118-L122 PolarHBondContact O-N 3.08Å; L118-I134 HydrophobicContact CD2-CG2 4.17Å; L118-I134 HydrophobicContact CG-CG2 4.47Å; L118-L137 HydrophobicContact CD2-CB 4.43Å; L118-M138 HydrophobicContact CD2-CB 4.45Å; L118-M138 HydrophobicContact CD2-SD 3.99Å
119K84.6Confident80.1Confident53 Ų5365.8 Ų65.823%0.2339%0.392CS..Hα-helixtrans-59.4-51176.3177.3169.8-177174.90112.1L115 D116 E117 M121 L122 E123 E131 I134L115-K119 VanDerWaalsContact O-CB 3.28Å; L115-K119 WeakPolarHBondContact O-CB 3.15Å; L115-K119 PolarHBondContact O-N 3.28Å; D116-K119 PolarHBondContact O-N 3.48Å; E117-K119 VanDerWaalsContact C-N 3.34Å; E117-K119 PolarHBondContact O-N 2.8Å; K119-M121 PolarHBondContact O-N 3.36Å; K119-L122 PolarHBondContact O-N 3.34Å; K119-E123 WeakPolarHBondContact O-CG 3.49Å; K119-E123 PolarHBondContact O-N 3.1Å; K119-E131 IonicContact NZ-OE1 3.62Å; K119-E131 PolarHBondContact NZ-OE1 3.45Å; K119-I134 HydrophobicContact CB-CD1 3.86Å; K119-I134 HydrophobicContact CB-CG2 4.48Å; K119-I134 HydrophobicContact CD-CD1 4.13Å; K119-I134 HydrophobicContact CG-CD1 3.68Å
120M82.4Confident80.1Confident84 Ų8465.4 Ų65.441%0.41438%0.381SS..Hα-helixtrans-58.6-35.8179.4-82.3-172.4-89.100112.4D116 E117 S124D116-M120 HydrophobicContact CB-CE 4.46Å; D116-M120 WeakPolarHBondContact O-CE 3.4Å; D116-M120 WeakPolarHBondContact O-CG 3.41Å; D116-M120 PolarHBondContact O-N 2.81Å; D116-M120 WeakPolarHBondContact OD1-CE 3.42Å; E117-M120 PolarHBondContact O-N 3.41Å; M120-S124 WeakPolarHBondContact O-CB 3.48Å; M120-S124 PolarHBondContact O-N 2.86Å; M120-S124 PolarHBondContact O-OG 3.32Å
121M78.8Confident79.8Confident26 Ų2668.5 Ų68.513%0.12839%0.394CS..Hα-helixtrans-69.1-47.4176.6-112.2-65.3177.100112.6M104 F105 E117 L118 K119 E123 S124 T125M104-M121 HydrophobicContact CB-CE 3.4Å; M104-M121 VanDerWaalsContact CB-CE 3.4Å; M104-M121 HydrophobicContact CG-CE 4.48Å; M104-M121 WeakPolarHBondContact O-CE 3.44Å; F105-M121 HydrophobicContact CB-CG 4.35Å; F105-M121 HydrophobicContact CD1-CB 3.89Å; F105-M121 HydrophobicContact CD1-CG 3.86Å; F105-M121 HydrophobicContact CD2-CB 4.45Å; F105-M121 HydrophobicContact CD2-CE 3.91Å; F105-M121 HydrophobicContact CD2-CG 3.61Å; F105-M121 HydrophobicContact CD2-SD 4Å; F105-M121 HydrophobicContact CE1-CB 3.81Å; F105-M121 HydrophobicContact CE1-CG 4.02Å; F105-M121 HydrophobicContact CE2-CB 4.4Å; F105-M121 HydrophobicContact CE2-CE 4.07Å; F105-M121 HydrophobicContact CE2-CG 3.79Å; F105-M121 HydrophobicContact CE2-SD 3.76Å; F105-M121 HydrophobicContact CG-CB 4.24Å; F105-M121 HydrophobicContact CG-CG 3.68Å; F105-M121 HydrophobicContact CZ-CB 4.1Å; F105-M121 HydrophobicContact CZ-CG 4Å; F105-M121 HydrophobicContact CZ-SD 4.18Å; E117-M121 PolarHBondContact O-N 3.24Å; E117-M121 VanDerWaalsContact O-N 3.09Å; L118-M121 PolarHBondContact O-N 3.28Å; K119-M121 PolarHBondContact O-N 3.36Å; M121-E123 VanDerWaalsContact C-N 3.31Å; M121-E123 PolarHBondContact O-N 3.42Å; M121-S124 WeakPolarHBondContact O-CA 3.39Å; M121-S124 WeakPolarHBondContact O-CB 3.39Å; M121-S124 PolarHBondContact O-N 2.9Å; M121-T125 PolarHBondContact O-N 3.25Å; M121-T125 VanDerWaalsContact O-N 3.1Å
122L77.8Confident79.8Confident25 Ų2572.2 Ų72.213%0.13141%0.405CS..Hα-helixtrans-65.8-32.4179-72.3168.5000112.5L118 K119 S124 T125 I129 I134 L137L118-L122 HydrophobicContact CD1-CD1 4.22Å; L118-L122 HydrophobicContact CG-CD1 3.93Å; L118-L122 WeakPolarHBondContact O-CG 3.38Å; L118-L122 PolarHBondContact O-N 3.08Å; K119-L122 PolarHBondContact O-N 3.34Å; L122-S124 VanDerWaalsContact C-N 3.28Å; L122-T125 PolarHBondContact O-OG1 2.95Å; L122-I129 HydrophobicContact CB-CB 4.4Å; L122-I129 HydrophobicContact CB-CG1 4.17Å; L122-I129 HydrophobicContact CB-CG2 4.47Å; L122-I129 HydrophobicContact CD1-CG2 4.23Å; L122-I129 HydrophobicContact CD2-CD1 4.33Å; L122-I129 HydrophobicContact CD2-CG1 4.33Å; L122-I134 HydrophobicContact CD1-CG1 4.03Å; L122-L137 HydrophobicContact CD1-CD1 3.78Å
123E77.6Confident79.6Confident131 Ų13171.1 Ų71.161%0.61241%0.406SS*.Hα-helixtrans-70-27.3169.9-71.2-169.189.200112.2K119 M121K119-E123 WeakPolarHBondContact O-CG 3.49Å; K119-E123 PolarHBondContact O-N 3.1Å; M121-E123 VanDerWaalsContact C-N 3.31Å; M121-E123 PolarHBondContact O-N 3.42Å
124S69.1Low79.3Confident98 Ų9871.3 Ų71.369%0.68541%0.407SS*.Hα-helixtrans-79.8-24.3179.6-630000113.6M120 M121 L122 G126M120-S124 WeakPolarHBondContact O-CB 3.48Å; M120-S124 PolarHBondContact O-N 2.86Å; M120-S124 PolarHBondContact O-OG 3.32Å; M121-S124 WeakPolarHBondContact O-CA 3.39Å; M121-S124 WeakPolarHBondContact O-CB 3.39Å; M121-S124 PolarHBondContact O-N 2.9Å; L122-S124 VanDerWaalsContact C-N 3.28Å; S124-G126 PolarHBondContact O-N 3.25Å
125T65.3Low79.1Confident87 Ų8774.3 Ų74.353%0.53442%0.42SS..THydrogen-bonded Turntrans-73.6-11.4174.247.90000112.9M121 L122 E127M121-T125 PolarHBondContact O-N 3.25Å; M121-T125 VanDerWaalsContact O-N 3.1Å; L122-T125 PolarHBondContact O-OG1 2.95Å; T125-E127 VanDerWaalsContact C-N 3.29Å; T125-E127 PolarHBondContact O-N 2.82Å
126G64.1Low79Confident69 Ų6976 Ų7671%0.71143%0.426SS*.THydrogen-bonded Turntrans80.27.6175.900000114.2S124S124-G126 PolarHBondContact O-N 3.25Å
127E68.2Low78.9Confident135 Ų13573.7 Ų73.763%0.63141%0.413SS*.  trans-81.2143.7171.3-69-158.891.900111.1T125 I129T125-E127 VanDerWaalsContact C-N 3.29Å; T125-E127 PolarHBondContact O-N 2.82Å; E127-I129 VanDerWaalsContact C-N 3.28Å; E127-I129 HydrophobicContact CB-CD1 4.39Å; E127-I129 HydrophobicContact CB-CG1 4.02Å; E127-I129 PolarHBondContact O-N 3.18Å
128A68.1Low78.7Confident106 Ų10673.9 Ų73.988%0.87641%0.414SS*.  trans-817817700000109.7
129I76Confident78.8Confident53 Ų5379.9 Ų79.927%0.27244%0.44SS..  trans-90.1132.9178-57.8-83.9000108.7L122 E127 D133 I134L122-I129 HydrophobicContact CB-CB 4.4Å; L122-I129 HydrophobicContact CB-CG1 4.17Å; L122-I129 HydrophobicContact CB-CG2 4.47Å; L122-I129 HydrophobicContact CD1-CG2 4.23Å; L122-I129 HydrophobicContact CD2-CD1 4.33Å; L122-I129 HydrophobicContact CD2-CG1 4.33Å; E127-I129 VanDerWaalsContact C-N 3.28Å; E127-I129 HydrophobicContact CB-CD1 4.39Å; E127-I129 HydrophobicContact CB-CG1 4.02Å; E127-I129 PolarHBondContact O-N 3.18Å; I129-D133 HydrophobicContact CG2-CB 3.83Å; I129-I134 HydrophobicContact CG2-CD1 4.16Å; I129-I134 HydrophobicContact CG2-CG1 3.57Å
130T83.1Confident78.8Confident76 Ų7682 Ų8247%0.46645%0.454SS..  trans-91.4162.9176.472.10000112D132 D133 I134T130-D132 PolarHBondContact O-N 2.95Å; T130-D133 WeakPolarHBondContact CB-OD2 3.22Å; T130-D133 PolarHBondContact N-OD2 3.44Å; T130-D133 WeakPolarHBondContact O-CB 3.41Å; T130-D133 PolarHBondContact O-N 2.83Å; T130-D133 VanDerWaalsContact O-N 3.15Å; T130-D133 PolarHBondContact OG1-N 2.88Å; T130-D133 PolarHBondContact OG1-OD2 2.81Å; T130-I134 WeakPolarHBondContact O-CG1 3.37Å; T130-I134 PolarHBondContact O-N 3.43Å; T130-I134 VanDerWaalsContact O-N 3.12Å
131E82.3Confident78.8Confident131 Ų13178 Ų7861%0.61244%0.435SS*.Hα-helixtrans-59.7-32.7176.9-62.4-174.6108.200112.3K119 I134 E135K119-E131 IonicContact NZ-OE1 3.62Å; K119-E131 PolarHBondContact NZ-OE1 3.45Å; E131-I134 PolarHBondContact O-N 2.78Å; E131-E135 WeakPolarHBondContact O-CG 3.43Å; E131-E135 PolarHBondContact O-N 3.19Å
132D84.9Confident79.3Confident112 Ų11277.5 Ų77.560%0.59943%0.432SS*.Hα-helixtrans-66.7-41.5176.3-159.1-103.3000111.4T130 I134 E135 E136T130-D132 PolarHBondContact O-N 2.95Å; D132-I134 VanDerWaalsContact C-N 3.32Å; D132-I134 PolarHBondContact O-N 3.5Å; D132-E135 PolarHBondContact O-N 3.36Å; D132-E136 WeakPolarHBondContact O-CG 3.35Å; D132-E136 PolarHBondContact O-N 3.23Å
133D83.8Confident79.7Confident74 Ų7481.6 Ų81.640%0.39645%0.449SS..Hα-helixtrans-63.2-38.7174.9-62-65.1000111.3I129 T130 E136 L137I129-D133 HydrophobicContact CG2-CB 3.83Å; T130-D133 WeakPolarHBondContact CB-OD2 3.22Å; T130-D133 PolarHBondContact N-OD2 3.44Å; T130-D133 WeakPolarHBondContact O-CB 3.41Å; T130-D133 PolarHBondContact O-N 2.83Å; T130-D133 VanDerWaalsContact O-N 3.15Å; T130-D133 PolarHBondContact OG1-N 2.88Å; T130-D133 PolarHBondContact OG1-OD2 2.81Å; D133-E136 PolarHBondContact O-N 3.23Å; D133-L137 WeakPolarHBondContact O-CB 3.32Å; D133-L137 WeakPolarHBondContact O-CG 3.44Å; D133-L137 PolarHBondContact O-N 3.04Å
134I83.6Confident80.1Confident5 Ų579 Ų793%0.02644%0.44CS..Hα-helixtrans-66.8-42.7178.2-60.5164.3000110.5L115 L118 K119 L122 I129 T130 E131 D132 E136 L137 M138L115-I134 HydrophobicContact CD2-CG2 4.33Å; L115-I134 HydrophobicContact CG-CG2 4.14Å; L118-I134 HydrophobicContact CD2-CG2 4.17Å; L118-I134 HydrophobicContact CG-CG2 4.47Å; K119-I134 HydrophobicContact CB-CD1 3.86Å; K119-I134 HydrophobicContact CB-CG2 4.48Å; K119-I134 HydrophobicContact CD-CD1 4.13Å; K119-I134 HydrophobicContact CG-CD1 3.68Å; L122-I134 HydrophobicContact CD1-CG1 4.03Å; I129-I134 HydrophobicContact CG2-CD1 4.16Å; I129-I134 HydrophobicContact CG2-CG1 3.57Å; T130-I134 WeakPolarHBondContact O-CG1 3.37Å; T130-I134 PolarHBondContact O-N 3.43Å; T130-I134 VanDerWaalsContact O-N 3.12Å; E131-I134 PolarHBondContact O-N 2.78Å; D132-I134 VanDerWaalsContact C-N 3.32Å; D132-I134 PolarHBondContact O-N 3.5Å; I134-E136 VanDerWaalsContact C-N 3.31Å; I134-E136 PolarHBondContact O-N 2.99Å; I134-L137 PolarHBondContact O-N 2.93Å; I134-M138 VanDerWaalsContact O-CB 3.29Å; I134-M138 WeakPolarHBondContact O-CB 3.03Å; I134-M138 PolarHBondContact O-N 3.43Å
135E84.8Confident80.9Confident104 Ų10480.7 Ų80.749%0.48644%0.441SS..Hα-helixtrans-62.8-38.6176.1-74.4-171.183.300112L115 E131 D132 M138 K139L115-E135 HydrophobicContact CD1-CG 4.44Å; E131-E135 WeakPolarHBondContact O-CG 3.43Å; E131-E135 PolarHBondContact O-N 3.19Å; D132-E135 PolarHBondContact O-N 3.36Å; E135-M138 PolarHBondContact O-N 3.08Å; E135-K139 WeakPolarHBondContact O-CG 3.45Å; E135-K139 PolarHBondContact O-N 2.95Å
136E85.3Confident82Confident105 Ų10580.5 Ų80.549%0.49144%0.436SS..Hα-helixtrans-70.2-42.5176.1-69.9-69.2100.400111.9D132 D133 I134 M138 K139 D140D132-E136 WeakPolarHBondContact O-CG 3.35Å; D132-E136 PolarHBondContact O-N 3.23Å; D133-E136 PolarHBondContact O-N 3.23Å; I134-E136 VanDerWaalsContact C-N 3.31Å; I134-E136 PolarHBondContact O-N 2.99Å; E136-M138 VanDerWaalsContact C-N 3.29Å; E136-M138 PolarHBondContact O-N 3.43Å; E136-K139 PolarHBondContact O-N 3.31Å; E136-K139 IonicContact OE1-NZ 2.87Å; E136-K139 PolarHBondContact OE1-NZ 3.16Å; E136-D140 WeakPolarHBondContact O-CB 3.43Å; E136-D140 PolarHBondContact O-N 3.25Å
137L83.4Confident83Confident54 Ų5479.2 Ų79.228%0.28342%0.423SS..Hα-helixtrans-60.6-40.6173.3-70.1166.3000111.3L118 L122 D133 I134 D140 G141 F157L118-L137 HydrophobicContact CD2-CB 4.43Å; L122-L137 HydrophobicContact CD1-CD1 3.78Å; D133-L137 WeakPolarHBondContact O-CB 3.32Å; D133-L137 WeakPolarHBondContact O-CG 3.44Å; D133-L137 PolarHBondContact O-N 3.04Å; I134-L137 PolarHBondContact O-N 2.93Å; L137-D140 PolarHBondContact O-N 3.43Å; L137-G141 PolarHBondContact O-N 3.04Å; L137-F157 HydrophobicContact CB-CZ 4.45Å; L137-F157 HydrophobicContact CD2-CE2 4.34Å; L137-F157 HydrophobicContact CD2-CZ 3.75Å
138M85.3Confident84Confident12 Ų1275.9 Ų75.96%0.05941%0.406CS..Hα-helixtrans-63.8-45.7177.6-165.670.6-175.600111.2L115 L118 I134 E135 E136 D140 G141 D142 G147 K148 I149L115-M138 HydrophobicContact CD1-CB 4.46Å; L115-M138 HydrophobicContact CD1-CG 4.34Å; L118-M138 HydrophobicContact CD2-CB 4.45Å; L118-M138 HydrophobicContact CD2-SD 3.99Å; I134-M138 VanDerWaalsContact O-CB 3.29Å; I134-M138 WeakPolarHBondContact O-CB 3.03Å; I134-M138 PolarHBondContact O-N 3.43Å; E135-M138 PolarHBondContact O-N 3.08Å; E136-M138 VanDerWaalsContact C-N 3.29Å; E136-M138 PolarHBondContact O-N 3.43Å; M138-D140 VanDerWaalsContact C-N 3.26Å; M138-D140 PolarHBondContact O-N 3.1Å; M138-G141 PolarHBondContact O-N 3.27Å; M138-D142 WeakPolarHBondContact O-CB 3.41Å; M138-D142 PolarHBondContact O-N 3.26Å; M138-G147 VanDerWaalsContact CE-C 3.44Å; M138-G147 WeakPolarHBondContact CE-O 3.45Å; M138-K148 VanDerWaalsContact CE-CA 3.42Å; M138-I149 HydrophobicContact CE-CD1 4.38Å; M138-I149 HydrophobicContact CE-CG1 3.89Å; M138-I149 HydrophobicContact SD-CD1 3.73Å; M138-I149 HydrophobicContact SD-CG1 3.9Å
139K85.8Confident85.1Confident138 Ų13871 Ų7160%0.637%0.366SS*.Hα-helixtrans-63.5-32.5175.4-78.9-176.6-158.8146.30113.3E135 E136E135-K139 WeakPolarHBondContact O-CG 3.45Å; E135-K139 PolarHBondContact O-N 2.95Å; E136-K139 PolarHBondContact O-N 3.31Å; E136-K139 IonicContact OE1-NZ 2.87Å; E136-K139 PolarHBondContact OE1-NZ 3.16Å
140D84.2Confident85.7Confident97 Ų9770.5 Ų70.552%0.51936%0.363SS..Hα-helixtrans-74.2-38.7-179.5-158.3-92.1000111.1E136 L137 M138 K143 F157E136-D140 WeakPolarHBondContact O-CB 3.43Å; E136-D140 PolarHBondContact O-N 3.25Å; L137-D140 PolarHBondContact O-N 3.43Å; M138-D140 VanDerWaalsContact C-N 3.26Å; M138-D140 PolarHBondContact O-N 3.1Å; D140-K143 WeakPolarHBondContact O-CE 3.41Å; D140-K143 PolarHBondContact O-NZ 3.4Å; D140-F157 HydrophobicContact CB-CE2 4.18Å
141G83.6Confident85.8Confident1 Ų170.2 Ų70.21%0.0135%0.354CS..Hα-helixtrans-75.6-42175.900000114.7L137 M138 K143L137-G141 PolarHBondContact O-N 3.04Å; M138-G141 PolarHBondContact O-N 3.27Å; G141-K143 PolarHBondContact O-N 3.37Å
142D88.5Confident85.9Confident14 Ų1469.2 Ų69.28%0.07535%0.353CS..  trans-76.889.2-177-179.64.9000111.5M138 N144 N145 D146 G147M138-D142 WeakPolarHBondContact O-CB 3.41Å; M138-D142 PolarHBondContact O-N 3.26Å; D142-N144 PolarHBondContact OD1-N 3.19Å; D142-N144 PolarHBondContact OD1-OD1 2.88Å; D142-N145 VanDerWaalsContact CG-CA 3.5Å; D142-N145 WeakPolarHBondContact OD1-CA 3.4Å; D142-N145 PolarHBondContact OD1-N 2.94Å; D142-N145 VanDerWaalsContact OD2-CA 3.28Å; D142-N145 WeakPolarHBondContact OD2-CA 3.43Å; D142-D146 PolarHBondContact OD1-N 3Å; D142-D146 PolarHBondContact OD2-N 3.03Å; D142-G147 VanDerWaalsContact OD2-CA 3.31Å; D142-G147 WeakPolarHBondContact OD2-CA 3.09Å; D142-G147 PolarHBondContact OD2-N 2.88Å
143K86Confident86Confident111 Ų11164.5 Ų64.548%0.48333%0.328SS..SBendtrans-75.8-33.1-179.5-62.1-52-172.8-156.40111.6D140 G141 N145 E153D140-K143 WeakPolarHBondContact O-CE 3.41Å; D140-K143 PolarHBondContact O-NZ 3.4Å; G141-K143 PolarHBondContact O-N 3.37Å; K143-N145 PolarHBondContact O-ND2 2.99Å; K143-E153 HydrophobicContact CB-CG 4.35Å; K143-E153 HydrophobicContact CG-CG 4.45Å; K143-E153 PolarHBondContact N-OE1 2.85Å
144N87.3Confident86Confident78 Ų7861.2 Ų61.242%0.41731%0.31SS..SBendtrans-87-9.4-175.475.236.5000113.3D142 D146 E153D142-N144 PolarHBondContact OD1-N 3.19Å; D142-N144 PolarHBondContact OD1-OD1 2.88Å; N144-D146 VanDerWaalsContact C-N 3.35Å; N144-D146 WeakPolarHBondContact OD1-CB 3.31Å; N144-D146 PolarHBondContact OD1-N 3.43Å; N144-D146 PolarHBondContact OD1-OD1 2.83Å; N144-E153 WeakPolarHBondContact CB-OE1 3.44Å; N144-E153 PolarHBondContact N-OE1 2.89Å; N144-E153 PolarHBondContact ND2-OE1 3.01Å
145N86.4Confident85.7Confident133 Ų13361.8 Ų61.871%0.71131%0.313SS*.  trans59.536.1-178.7-68.7-114.7000113.6D142 K143D142-N145 VanDerWaalsContact CG-CA 3.5Å; D142-N145 WeakPolarHBondContact OD1-CA 3.4Å; D142-N145 PolarHBondContact OD1-N 2.94Å; D142-N145 VanDerWaalsContact OD2-CA 3.28Å; D142-N145 WeakPolarHBondContact OD2-CA 3.43Å; K143-N145 PolarHBondContact O-ND2 2.99Å
146D87.5Confident85.4Confident83 Ų8362.4 Ų62.444%0.44432%0.316SS..SBendtrans-89.3-2.9176.179.2-3.2000113.4D142 N144 K148D142-D146 PolarHBondContact OD1-N 3Å; D142-D146 PolarHBondContact OD2-N 3.03Å; N144-D146 VanDerWaalsContact C-N 3.35Å; N144-D146 WeakPolarHBondContact OD1-CB 3.31Å; N144-D146 PolarHBondContact OD1-N 3.43Å; N144-D146 PolarHBondContact OD1-OD1 2.83Å; D146-K148 VanDerWaalsContact C-N 3.32Å; D146-K148 WeakPolarHBondContact OD1-CA 3.36Å; D146-K148 WeakPolarHBondContact OD1-CB 3.47Å; D146-K148 PolarHBondContact OD1-N 2.96Å
147G85.6Confident85Confident42 Ų4259 Ų5943%0.43330%0.299SS..SBendtrans78.416.5-179.300000113.4M138 D142M138-G147 VanDerWaalsContact CE-C 3.44Å; M138-G147 WeakPolarHBondContact CE-O 3.45Å; D142-G147 VanDerWaalsContact OD2-CA 3.31Å; D142-G147 WeakPolarHBondContact OD2-CA 3.09Å; D142-G147 PolarHBondContact OD2-N 2.88Å
148K89.3Confident84.5Confident64 Ų6458.2 Ų58.228%0.27830%0.295SS..EExtended strand (participates in β ladder)trans-136.6160.2175.7-63.7-174162.9-141.50109.1D110 Y112 M138 D146D110-K148 IonicContact OD2-NZ 2.79Å; D110-K148 PolarHBondContact OD2-NZ 3.49Å; Y112-K148 HydrophobicContact CD1-CB 4.35Å; Y112-K148 HydrophobicContact CD1-CD 4.48Å; Y112-K148 HydrophobicContact CG-CD 4.14Å; M138-K148 VanDerWaalsContact CE-CA 3.42Å; D146-K148 VanDerWaalsContact C-N 3.32Å; D146-K148 WeakPolarHBondContact OD1-CA 3.36Å; D146-K148 WeakPolarHBondContact OD1-CB 3.47Å; D146-K148 PolarHBondContact OD1-N 2.96Å
149I89.6Confident83.5Confident4 Ų464.8 Ų64.82%0.02132%0.323CS..EExtended strand (participates in β ladder)trans-112.3114.3173.1-61.1172.9000107.5I113 M138 E153 F154I113-I149 HydrophobicContact CB-CB 4.34Å; I113-I149 PolarHBondContact N-O 3.13Å; I113-I149 PolarHBondContact O-N 3.23Å; M138-I149 HydrophobicContact CE-CD1 4.38Å; M138-I149 HydrophobicContact CE-CG1 3.89Å; M138-I149 HydrophobicContact SD-CD1 3.73Å; M138-I149 HydrophobicContact SD-CG1 3.9Å; I149-E153 HydrophobicContact CG2-CB 3.86Å; I149-F154 HydrophobicContact CG2-CB 3.87Å
150D90.1Very high82Confident42 Ų4261 Ų6123%0.22532%0.323CS..EExtended strand (participates in β ladder)trans-79.5172.2172.678.2-123.2000112.2Y112 D152 E153 F154Y112-D150 HydrophobicContact CD1-CB 3.84Å; Y112-D150 HydrophobicContact CE1-CB 3.81Å; D150-D152 VanDerWaalsContact C-N 3.32Å; D150-D152 PolarHBondContact O-N 2.94Å; D150-D152 WeakPolarHBondContact OD2-CA 3.26Å; D150-D152 VanDerWaalsContact OD2-CB 3.29Å; D150-D152 WeakPolarHBondContact OD2-CB 3.42Å; D150-D152 PolarHBondContact OD2-N 3.43Å; D150-E153 PolarHBondContact N-OE2 3.14Å; D150-E153 PolarHBondContact O-N 3.3Å; D150-E153 VanDerWaalsContact OD1-CD 3.31Å; D150-E153 PolarHBondContact OD2-N 2.77Å; D150-F154 WeakPolarHBondContact O-CB 3.43Å; D150-F154 PolarHBondContact O-N 3.45Å
151Y84.7Confident80.4Confident71 Ų7161.4 Ų61.428%0.27833%0.329SS..Hα-helixtrans-60.6-39.2-176.9-176.2-108.3000113.1E95 A99 F102 F154 L155E95-Y151 WeakPolarHBondContact CG-OH 3.43Å; E95-Y151 PolarHBondContact O-OH 3.2Å; A99-Y151 HydrophobicContact CB-CE2 4.23Å; F102-Y151 HydrophobicContact CB-CD2 4.05Å; F102-Y151 HydrophobicContact CB-CE2 4.24Å; F102-Y151 HydrophobicContact CD1-CD2 4.17Å; F102-Y151 AromaticContact CD2-CD2 3.95Å; F102-Y151 HydrophobicContact CD2-CD2 3.95Å; F102-Y151 HydrophobicContact CE2-CD2 4.47Å; F102-Y151 AromaticContact CG-CD2 3.78Å; F102-Y151 HydrophobicContact CG-CD2 3.78Å; F102-Y151 HydrophobicContact CG-CE2 4.45Å; Y151-F154 PolarHBondContact O-N 3.32Å; Y151-L155 HydrophobicContact CD1-CD1 3.99Å; Y151-L155 HydrophobicContact CD1-CG 4.33Å; Y151-L155 HydrophobicContact CE1-CD1 3.56Å; Y151-L155 HydrophobicContact CE1-CD2 4.38Å; Y151-L155 HydrophobicContact CE1-CG 4.04Å; Y151-L155 HydrophobicContact CE2-CD2 4.38Å; Y151-L155 HydrophobicContact CE2-CG 4.49Å; Y151-L155 VanDerWaalsContact O-CG 3.27Å; Y151-L155 WeakPolarHBondContact O-CG 3.3Å; Y151-L155 PolarHBondContact O-N 2.89Å
152D84.5Confident78.3Confident110 Ų11073.5 Ų73.559%0.58839%0.385SS*.Hα-helixtrans-68.7-42-179.7-151.7-105.6000110.3D150 L155 E156D150-D152 VanDerWaalsContact C-N 3.32Å; D150-D152 PolarHBondContact O-N 2.94Å; D150-D152 WeakPolarHBondContact OD2-CA 3.26Å; D150-D152 VanDerWaalsContact OD2-CB 3.29Å; D150-D152 WeakPolarHBondContact OD2-CB 3.42Å; D150-D152 PolarHBondContact OD2-N 3.43Å; D152-L155 WeakPolarHBondContact O-CB 3.19Å; D152-L155 PolarHBondContact O-N 2.87Å; D152-E156 PolarHBondContact O-N 2.95Å
153E87.5Confident77.8Confident12 Ų1276.5 Ų76.56%0.05640%0.401CS..Hα-helixtrans-62.6-41.6173.7-70.8177.3145.800112.2K143 N144 I149 D150 L155 E156 F157K143-E153 HydrophobicContact CB-CG 4.35Å; K143-E153 HydrophobicContact CG-CG 4.45Å; K143-E153 PolarHBondContact N-OE1 2.85Å; N144-E153 WeakPolarHBondContact CB-OE1 3.44Å; N144-E153 PolarHBondContact N-OE1 2.89Å; N144-E153 PolarHBondContact ND2-OE1 3.01Å; I149-E153 HydrophobicContact CG2-CB 3.86Å; D150-E153 PolarHBondContact N-OE2 3.14Å; D150-E153 PolarHBondContact O-N 3.3Å; D150-E153 VanDerWaalsContact OD1-CD 3.31Å; D150-E153 PolarHBondContact OD2-N 2.77Å; E153-L155 VanDerWaalsContact C-N 3.34Å; E153-L155 PolarHBondContact O-N 3.01Å; E153-E156 PolarHBondContact O-N 3.42Å; E153-F157 VanDerWaalsContact O-CB 3.24Å; E153-F157 WeakPolarHBondContact O-CB 3.46Å; E153-F157 PolarHBondContact O-N 3.36Å
154F82.6Confident77.4Confident6 Ų674.6 Ų74.63%0.02640%0.396CS..Hα-helixtrans-63.6-38.6174.7-179-100.3000112.3L98 L101 F102 I113 I149 D150 Y151 F157 M158L98-F154 HydrophobicContact CB-CE1 4.43Å; L98-F154 HydrophobicContact CD2-CE1 3.92Å; L101-F154 HydrophobicContact CB-CE1 4.36Å; L101-F154 HydrophobicContact CB-CZ 4.11Å; F102-F154 HydrophobicContact CB-CD1 4.24Å; F102-F154 HydrophobicContact CB-CE1 4.18Å; F102-F154 HydrophobicContact CD2-CB 3.79Å; F102-F154 AromaticContact CD2-CD1 3.86Å; F102-F154 HydrophobicContact CD2-CD1 3.86Å; F102-F154 HydrophobicContact CD2-CD2 4.28Å; F102-F154 HydrophobicContact CD2-CE1 4.48Å; F102-F154 AromaticContact CD2-CG 3.73Å; F102-F154 HydrophobicContact CD2-CG 3.73Å; F102-F154 HydrophobicContact CE2-CB 4Å; F102-F154 HydrophobicContact CE2-CG 4.38Å; I113-F154 HydrophobicContact CD1-CD2 3.63Å; I113-F154 HydrophobicContact CD1-CE2 3.9Å; I113-F154 HydrophobicContact CD1-CG 4.29Å; I149-F154 HydrophobicContact CG2-CB 3.87Å; D150-F154 WeakPolarHBondContact O-CB 3.43Å; D150-F154 PolarHBondContact O-N 3.45Å; Y151-F154 PolarHBondContact O-N 3.32Å; F154-F157 PolarHBondContact O-N 3.09Å; F154-M158 HydrophobicContact CD1-CG 4.34Å; F154-M158 HydrophobicContact CE1-CE 4.16Å; F154-M158 HydrophobicContact CE1-CG 3.95Å; F154-M158 HydrophobicContact CE2-CE 3.77Å; F154-M158 HydrophobicContact CE2-CG 4.22Å; F154-M158 HydrophobicContact CZ-CE 3.34Å; F154-M158 HydrophobicContact CZ-CG 3.91Å; F154-M158 WeakPolarHBondContact O-CB 3.34Å; F154-M158 WeakPolarHBondContact O-CG 3.35Å; F154-M158 PolarHBondContact O-N 2.93Å
155L78.2Confident76.8Confident16 Ų1674.4 Ų74.48%0.08440%0.395CS..Hα-helixtrans-65.1-44.2175-71.5-179.8000111.4L98 Y151 D152 E153 K159L98-L155 HydrophobicContact CB-CD2 3.76Å; L98-L155 HydrophobicContact CD1-CD2 3.33Å; L98-L155 HydrophobicContact CG-CD2 4.07Å; Y151-L155 HydrophobicContact CD1-CD1 3.99Å; Y151-L155 HydrophobicContact CD1-CG 4.33Å; Y151-L155 HydrophobicContact CE1-CD1 3.56Å; Y151-L155 HydrophobicContact CE1-CD2 4.38Å; Y151-L155 HydrophobicContact CE1-CG 4.04Å; Y151-L155 HydrophobicContact CE2-CD2 4.38Å; Y151-L155 HydrophobicContact CE2-CG 4.49Å; Y151-L155 VanDerWaalsContact O-CG 3.27Å; Y151-L155 WeakPolarHBondContact O-CG 3.3Å; Y151-L155 PolarHBondContact O-N 2.89Å; D152-L155 WeakPolarHBondContact O-CB 3.19Å; D152-L155 PolarHBondContact O-N 2.87Å; E153-L155 VanDerWaalsContact C-N 3.34Å; E153-L155 PolarHBondContact O-N 3.01Å; L155-K159 VanDerWaalsContact O-CB 3.31Å; L155-K159 WeakPolarHBondContact O-CB 3.47Å; L155-K159 WeakPolarHBondContact O-CD 3.38Å; L155-K159 WeakPolarHBondContact O-CG 3.4Å; L155-K159 PolarHBondContact O-N 2.62Å
156E77.9Confident76.3Confident117 Ų11771 Ų7155%0.54738%0.377SS..Hα-helixtrans-64.4-42.6175.6-73.2-137.6105.800111.5D152 E153 K159 G160D152-E156 PolarHBondContact O-N 2.95Å; E153-E156 PolarHBondContact O-N 3.42Å; E156-K159 PolarHBondContact O-N 3.14Å; E156-G160 PolarHBondContact O-N 2.99Å
157F77.4Confident75.6Confident33 Ų3370.3 Ų70.315%0.14537%0.372CS..Hα-helixtrans-58.9-52.9176.1-178.5-102.6000111.2L137 D140 E153 F154 K159 G160 V161L137-F157 HydrophobicContact CB-CZ 4.45Å; L137-F157 HydrophobicContact CD2-CE2 4.34Å; L137-F157 HydrophobicContact CD2-CZ 3.75Å; D140-F157 HydrophobicContact CB-CE2 4.18Å; E153-F157 VanDerWaalsContact O-CB 3.24Å; E153-F157 WeakPolarHBondContact O-CB 3.46Å; E153-F157 PolarHBondContact O-N 3.36Å; F154-F157 PolarHBondContact O-N 3.09Å; F157-K159 VanDerWaalsContact C-N 3.25Å; F157-K159 PolarHBondContact O-N 3.15Å; F157-G160 PolarHBondContact O-N 3.02Å; F157-G160 VanDerWaalsContact O-N 3.08Å; F157-V161 WeakPolarHBondContact O-CG2 3.45Å; F157-V161 PolarHBondContact O-N 3.5Å
158M72.1Confident74.9Confident39 Ų3972.1 Ų72.119%0.19237%0.368CS..Hα-helixtrans-65.4-24177.6-79.4-79.8-16800113.9K93 L98 F154K93-M158 HydrophobicContact CD-CE 4.45Å; K93-M158 HydrophobicContact CD-SD 4.08Å; K93-M158 VanDerWaalsContact NZ-CE 3.3Å; L98-M158 HydrophobicContact CD2-CB 3.66Å; L98-M158 HydrophobicContact CD2-CG 3.62Å; L98-M158 HydrophobicContact CD2-SD 4.24Å; F154-M158 HydrophobicContact CD1-CG 4.34Å; F154-M158 HydrophobicContact CE1-CE 4.16Å; F154-M158 HydrophobicContact CE1-CG 3.95Å; F154-M158 HydrophobicContact CE2-CE 3.77Å; F154-M158 HydrophobicContact CE2-CG 4.22Å; F154-M158 HydrophobicContact CZ-CE 3.34Å; F154-M158 HydrophobicContact CZ-CG 3.91Å; F154-M158 WeakPolarHBondContact O-CB 3.34Å; F154-M158 WeakPolarHBondContact O-CG 3.35Å; F154-M158 PolarHBondContact O-N 2.93Å
159K65Low73.9Confident149 Ų14972.7 Ų72.765%0.64838%0.375SS*.Hα-helixtrans-81.1-24173.1-76.4170-174.8168.10113.2L155 E156 F157L155-K159 VanDerWaalsContact O-CB 3.31Å; L155-K159 WeakPolarHBondContact O-CB 3.47Å; L155-K159 WeakPolarHBondContact O-CD 3.38Å; L155-K159 WeakPolarHBondContact O-CG 3.4Å; L155-K159 PolarHBondContact O-N 2.62Å; E156-K159 PolarHBondContact O-N 3.14Å; F157-K159 VanDerWaalsContact C-N 3.25Å; F157-K159 PolarHBondContact O-N 3.15Å
160G54.5Low72.6Confident59 Ų5978 Ų7861%0.60840%0.402SS*.Hα-helixtrans-91.2-9.5-17800000115E156 F157 E162E156-G160 PolarHBondContact O-N 2.99Å; F157-G160 PolarHBondContact O-N 3.02Å; F157-G160 VanDerWaalsContact O-N 3.08Å; G160-E162 VanDerWaalsContact C-N 3.32Å; G160-E162 PolarHBondContact O-N 3.32Å
161V51.1Low71.2Confident105 Ų10581 Ų8164%0.63642%0.417SS*.  trans-77.283.9170.5-177.30000108.7F157F157-V161 WeakPolarHBondContact O-CG2 3.45Å; F157-V161 PolarHBondContact O-N 3.5Å
162E38.8Very low70Confident255 Ų25581.9 Ų81.9100%1.19243%0.429SS*.  trans-93.90165.2-78.6-175.983.900111.8G160G160-E162 VanDerWaalsContact C-N 3.32Å; G160-E162 PolarHBondContact O-N 3.32Å

Retrieved 162 of 162 residues in 59.8 ms (Link to these results)

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