A0A3Q0KIV7_SCHMA Loading...

Calcium channel flower

AlphaFold DB , UniProt , Accession A0A3Q0KIV7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 195 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
1M46.1Very low73.8Confident235 Ų235107.5 Ų107.5100%1.15858%0.578SS**  0108.30-66.8-177.5-11900107.9I3M1-I3 PolarHBondContact O-N 3.49Å; M1-I3 VanDerWaalsContact O-N 3.13Å
2A64.1Low74.2Confident107 Ų10798.8 Ų98.888%0.88453%0.531SS*.  trans-75.797.9177.700000108.7S4A2-S4 PolarHBondContact O-N 3.1Å
3I73.9Confident74.8Confident98 Ų9898.3 Ų98.350%0.50352%0.521SS..  trans-69.7120.6170.3-71.7158.2000106.8M1 L7 I8M1-I3 PolarHBondContact O-N 3.49Å; M1-I3 VanDerWaalsContact O-N 3.13Å; I3-L7 HydrophobicContact CG2-CB 4.27Å; I3-L7 HydrophobicContact CG2-CD2 4.12Å; I3-I8 HydrophobicContact CG2-CD1 4.01Å; I3-I8 HydrophobicContact CG2-CG1 3.65Å
4S76.8Confident75.5Confident76 Ų7694.6 Ų94.653%0.53151%0.511SS..  trans-57.2133.6179.5-39.80000109.8A2 R6 L7A2-S4 PolarHBondContact O-N 3.1Å; S4-R6 PolarHBondContact O-N 3.29Å; S4-R6 VanDerWaalsContact O-N 3.14Å; S4-L7 WeakPolarHBondContact O-CB 3.4Å; S4-L7 PolarHBondContact O-N 3.03Å
5P73Confident76.1Confident94 Ų9490.1 Ų90.161%0.6149%0.493SS*.Hα-helixtrans-56.7-34.8-17720.3-32.1000112.4L7 I8 E9P5-L7 VanDerWaalsContact C-N 3.28Å; P5-L7 PolarHBondContact O-N 3.16Å; P5-I8 WeakPolarHBondContact O-CB 3.35Å; P5-I8 PolarHBondContact O-N 3.06Å; P5-I8 VanDerWaalsContact O-N 3.13Å; P5-E9 PolarHBondContact O-N 3.47Å
6R78.9Confident76.6Confident165 Ų16584.5 Ų84.562%0.62346%0.462SS*.Hα-helixtrans-58.1-36.2174.2-61.5-62.1-170.6156.91.6113.3S4 I8 E9 Y10S4-R6 PolarHBondContact O-N 3.29Å; S4-R6 VanDerWaalsContact O-N 3.14Å; R6-I8 VanDerWaalsContact C-N 3.3Å; R6-I8 PolarHBondContact O-N 3.47Å; R6-E9 IonicContact NH1-OE2 3.84Å; R6-E9 PolarHBondContact O-N 3.47Å; R6-Y10 HydrophobicContact CB-CD2 4.45Å; R6-Y10 HydrophobicContact CB-CE2 4.48Å; R6-Y10 WeakPolarHBondContact O-CD2 3.4Å; R6-Y10 PolarHBondContact O-N 3.48Å
7L81Confident77.1Confident115 Ų11584.1 Ų84.160%0.60246%0.458SS*.Hα-helixtrans-67.9-34.6179.7-166.874.7000111.4I3 S4 P5 G11I3-L7 HydrophobicContact CG2-CB 4.27Å; I3-L7 HydrophobicContact CG2-CD2 4.12Å; S4-L7 WeakPolarHBondContact O-CB 3.4Å; S4-L7 PolarHBondContact O-N 3.03Å; P5-L7 VanDerWaalsContact C-N 3.28Å; P5-L7 PolarHBondContact O-N 3.16Å; L7-G11 WeakPolarHBondContact O-CA 3.4Å; L7-G11 PolarHBondContact O-N 3.41Å
8I78.5Confident77.7Confident35 Ų3585.1 Ų85.118%0.17946%0.462CS..Hα-helixtrans-68.7-40.2177-56.6177.4000109.9I3 P5 R6 L12 R119I3-I8 HydrophobicContact CG2-CD1 4.01Å; I3-I8 HydrophobicContact CG2-CG1 3.65Å; P5-I8 WeakPolarHBondContact O-CB 3.35Å; P5-I8 PolarHBondContact O-N 3.06Å; P5-I8 VanDerWaalsContact O-N 3.13Å; R6-I8 VanDerWaalsContact C-N 3.3Å; R6-I8 PolarHBondContact O-N 3.47Å; I8-L12 WeakPolarHBondContact O-CB 3.28Å; I8-L12 PolarHBondContact O-N 2.91Å; I8-R119 HydrophobicContact CG2-CG 3.75Å
9E75.1Confident78.1Confident75 Ų7581.3 Ų81.335%0.3544%0.442SS..Hα-helixtrans-63.8-47.9174.8-66.5172-176.200112.3P5 R6 L12 K13P5-E9 PolarHBondContact O-N 3.47Å; R6-E9 IonicContact NH1-OE2 3.84Å; R6-E9 PolarHBondContact O-N 3.47Å; E9-L12 PolarHBondContact O-N 2.96Å; E9-K13 WeakPolarHBondContact O-CG 3.42Å; E9-K13 PolarHBondContact O-N 3.45Å
10Y81.5Confident78.5Confident151 Ų15177.3 Ų77.359%0.59242%0.42SS*.Hα-helixtrans-67.3-41.3178.3-79.5-65.7000112.3R6 L12 K13 A14R6-Y10 HydrophobicContact CB-CD2 4.45Å; R6-Y10 HydrophobicContact CB-CE2 4.48Å; R6-Y10 WeakPolarHBondContact O-CD2 3.4Å; R6-Y10 PolarHBondContact O-N 3.48Å; Y10-L12 VanDerWaalsContact C-N 3.26Å; Y10-L12 PolarHBondContact O-N 3.45Å; Y10-K13 PolarHBondContact O-N 3.06Å; Y10-A14 WeakPolarHBondContact O-CB 3.5Å; Y10-A14 PolarHBondContact O-N 3.05Å
11G82.9Confident78.9Confident32 Ų3277.8 Ų77.833%0.3343%0.425SS..Hα-helixtrans-61.4-37.1177.500000111.8L7 A15L7-G11 WeakPolarHBondContact O-CA 3.4Å; L7-G11 PolarHBondContact O-N 3.41Å; G11-A15 VanDerWaalsContact O-CB 3.26Å; G11-A15 WeakPolarHBondContact O-CB 3.41Å; G11-A15 PolarHBondContact O-N 3.24Å
12L79.1Confident80.9Confident2 Ų269.5 Ų69.51%0.0139%0.385CS..Hα-helixtrans-67.5-49.5175.9-169.870.7000112.4I8 E9 Y10 A14 A15 G16 F115 N116I8-L12 WeakPolarHBondContact O-CB 3.28Å; I8-L12 PolarHBondContact O-N 2.91Å; E9-L12 PolarHBondContact O-N 2.96Å; Y10-L12 VanDerWaalsContact C-N 3.26Å; Y10-L12 PolarHBondContact O-N 3.45Å; L12-A14 PolarHBondContact O-N 3.13Å; L12-A15 PolarHBondContact O-N 3.35Å; L12-A15 VanDerWaalsContact O-N 3.11Å; L12-G16 PolarHBondContact O-N 2.88Å; L12-F115 HydrophobicContact CB-CE1 4.44Å; L12-F115 HydrophobicContact CD1-CD1 3.45Å; L12-F115 VanDerWaalsContact CD1-CD1 3.45Å; L12-F115 HydrophobicContact CD1-CE1 3.71Å; L12-N116 HydrophobicContact CD1-CB 4.38Å; L12-N116 WeakPolarHBondContact CD1-OD1 2.9Å; L12-N116 WeakPolarHBondContact CD2-OD1 3.43Å
13K81.5Confident81.9Confident93 Ų9364.4 Ų64.440%0.40434%0.343SS..Hα-helixtrans-55.6-44.3177.4-69.7173.1179.9176.80111E9 Y10 G16 I17E9-K13 WeakPolarHBondContact O-CG 3.42Å; E9-K13 PolarHBondContact O-N 3.45Å; Y10-K13 PolarHBondContact O-N 3.06Å; K13-G16 PolarHBondContact O-N 3.4Å; K13-I17 WeakPolarHBondContact O-CD1 3.48Å; K13-I17 VanDerWaalsContact O-CG1 3.24Å; K13-I17 WeakPolarHBondContact O-CG1 3.3Å; K13-I17 PolarHBondContact O-N 2.76Å
14A84.1Confident82.5Confident46 Ų4663.2 Ų63.238%0.3833%0.334SS..Hα-helixtrans-64.1-46.6176.800000112Y10 L12 G16 I17 I18Y10-A14 WeakPolarHBondContact O-CB 3.5Å; Y10-A14 PolarHBondContact O-N 3.05Å; L12-A14 PolarHBondContact O-N 3.13Å; A14-G16 VanDerWaalsContact C-N 3.33Å; A14-G16 PolarHBondContact O-N 3.49Å; A14-I17 PolarHBondContact O-N 2.95Å; A14-I18 WeakPolarHBondContact O-CB 3.23Å; A14-I18 WeakPolarHBondContact O-CD1 3.49Å; A14-I18 WeakPolarHBondContact O-CG1 3.47Å; A14-I18 PolarHBondContact O-N 3.33Å
15A85.3Confident83Confident28 Ų2862.4 Ų62.423%0.23133%0.329CS..Hα-helixtrans-59.7-43.7177.200000111.6G11 L12 I18 T19G11-A15 VanDerWaalsContact O-CB 3.26Å; G11-A15 WeakPolarHBondContact O-CB 3.41Å; G11-A15 PolarHBondContact O-N 3.24Å; L12-A15 PolarHBondContact O-N 3.35Å; L12-A15 VanDerWaalsContact O-N 3.11Å; A15-I18 PolarHBondContact O-N 3.44Å; A15-T19 VanDerWaalsContact O-CB 3.29Å; A15-T19 WeakPolarHBondContact O-CB 3.23Å; A15-T19 PolarHBondContact O-N 2.88Å; A15-T19 PolarHBondContact O-OG1 2.93Å
16G83.4Confident83.6Confident0 Ų060 Ų600%031%0.31CS..Hα-helixtrans-58.8-47.2175.700000112.9L12 K13 A14 T19 A20L12-G16 PolarHBondContact O-N 2.88Å; K13-G16 PolarHBondContact O-N 3.4Å; A14-G16 VanDerWaalsContact C-N 3.33Å; A14-G16 PolarHBondContact O-N 3.49Å; G16-T19 PolarHBondContact O-N 3.05Å; G16-A20 WeakPolarHBondContact O-CB 3.4Å; G16-A20 PolarHBondContact O-N 3.41Å
17I85.6Confident83.9Confident77 Ų7752.2 Ų52.240%0.39528%0.281SS..Hα-helixtrans-63.8-47.8177.5-65.8163.4000111K13 A14 T19 A20 V21K13-I17 WeakPolarHBondContact O-CD1 3.48Å; K13-I17 VanDerWaalsContact O-CG1 3.24Å; K13-I17 WeakPolarHBondContact O-CG1 3.3Å; K13-I17 PolarHBondContact O-N 2.76Å; A14-I17 PolarHBondContact O-N 2.95Å; I17-T19 VanDerWaalsContact C-N 3.32Å; I17-T19 PolarHBondContact O-N 3.02Å; I17-A20 PolarHBondContact O-N 2.82Å; I17-V21 HydrophobicContact CG2-CG2 4.45Å; I17-V21 WeakPolarHBondContact O-CG2 3.24Å; I17-V21 PolarHBondContact O-N 2.9Å
18I88.4Confident84.2Confident102 Ų10250.5 Ų50.552%0.52328%0.275SS..Hα-helixtrans-60.1-46.3179.8-67.8163.7000110A14 A15 A20 V21 L22A14-I18 WeakPolarHBondContact O-CB 3.23Å; A14-I18 WeakPolarHBondContact O-CD1 3.49Å; A14-I18 WeakPolarHBondContact O-CG1 3.47Å; A14-I18 PolarHBondContact O-N 3.33Å; A15-I18 PolarHBondContact O-N 3.44Å; I18-A20 PolarHBondContact O-N 3.26Å; I18-V21 PolarHBondContact O-N 3.46Å; I18-L22 HydrophobicContact CG2-CD1 4.06Å; I18-L22 WeakPolarHBondContact O-CG 3.31Å; I18-L22 PolarHBondContact O-N 2.98Å
19T84.9Confident84.5Confident14 Ų1452.4 Ų52.49%0.08629%0.288CS..Hα-helixtrans-61.9-43.2176.5-64.50000111.7A15 G16 I17 V21 L22 C23 L109 C112A15-T19 VanDerWaalsContact O-CB 3.29Å; A15-T19 WeakPolarHBondContact O-CB 3.23Å; A15-T19 PolarHBondContact O-N 2.88Å; A15-T19 PolarHBondContact O-OG1 2.93Å; G16-T19 PolarHBondContact O-N 3.05Å; I17-T19 VanDerWaalsContact C-N 3.32Å; I17-T19 PolarHBondContact O-N 3.02Å; T19-V21 PolarHBondContact O-N 3.3Å; T19-L22 PolarHBondContact O-N 2.94Å; T19-C23 VanDerWaalsContact O-CB 3.25Å; T19-C23 WeakPolarHBondContact O-CB 3.21Å; T19-C23 PolarHBondContact O-N 3.3Å; T19-L109 HydrophobicContact CG2-CD2 3.47Å; T19-L109 VanDerWaalsContact CG2-CD2 3.47Å; T19-L109 HydrophobicContact CG2-CG 4.04Å; T19-C112 HydrophobicContact CG2-CB 3.76Å; T19-C112 VanDerWaalsContact OG1-CB 3.26Å; T19-C112 WeakPolarHBondContact OG1-CB 3.25Å; T19-C112 PolarHBondContact OG1-SG 3.04Å
20A85Confident84.9Confident0 Ų049.2 Ų49.20%027%0.274CS..Hα-helixtrans-60.6-45.417700000111.5G16 I17 I18 L22 C23 F24 V52 I53G16-A20 WeakPolarHBondContact O-CB 3.4Å; G16-A20 PolarHBondContact O-N 3.41Å; I17-A20 PolarHBondContact O-N 2.82Å; I18-A20 PolarHBondContact O-N 3.26Å; A20-L22 PolarHBondContact O-N 2.94Å; A20-C23 WeakPolarHBondContact O-CB 3.41Å; A20-C23 PolarHBondContact O-N 2.95Å; A20-C23 VanDerWaalsContact O-N 3.15Å; A20-F24 WeakPolarHBondContact O-CD2 3.45Å; A20-F24 PolarHBondContact O-N 2.99Å; A20-V52 HydrophobicContact CB-CG1 4.47Å; A20-I53 HydrophobicContact CB-CB 4.06Å
21V88.4Confident85Confident89 Ų8945 Ų4554%0.53926%0.26SS..Hα-helixtrans-62.1-43177.7173.50000111.7I17 I18 T19 C23 F24 S25I17-V21 HydrophobicContact CG2-CG2 4.45Å; I17-V21 WeakPolarHBondContact O-CG2 3.24Å; I17-V21 PolarHBondContact O-N 2.9Å; I18-V21 PolarHBondContact O-N 3.46Å; T19-V21 PolarHBondContact O-N 3.3Å; V21-C23 VanDerWaalsContact C-N 3.29Å; V21-C23 PolarHBondContact O-N 3.22Å; V21-F24 PolarHBondContact O-N 3.45Å; V21-S25 PolarHBondContact O-N 2.96Å; V21-S25 PolarHBondContact O-OG 3.21Å
22L86.8Confident85.1Confident61 Ų6149.9 Ų49.932%0.31928%0.278SS..Hα-helixtrans-62.7-37.9174.4-72172.5000112I18 T19 A20 S25 M26I18-L22 HydrophobicContact CG2-CD1 4.06Å; I18-L22 WeakPolarHBondContact O-CG 3.31Å; I18-L22 PolarHBondContact O-N 2.98Å; T19-L22 PolarHBondContact O-N 2.94Å; A20-L22 PolarHBondContact O-N 2.94Å; L22-S25 PolarHBondContact O-OG 2.89Å; L22-S25 VanDerWaalsContact O-OG 3.05Å; L22-M26 WeakPolarHBondContact O-CB 3.38Å; L22-M26 WeakPolarHBondContact O-CG 3.44Å; L22-M26 PolarHBondContact O-N 3.47Å
23C85.7Confident85.2Confident0 Ų052 Ų520%029%0.292CS..Hα-helixtrans-63.1-44.8176.6-160.10000111.6T19 A20 V21 G27 L45 L109T19-C23 VanDerWaalsContact O-CB 3.25Å; T19-C23 WeakPolarHBondContact O-CB 3.21Å; T19-C23 PolarHBondContact O-N 3.3Å; A20-C23 WeakPolarHBondContact O-CB 3.41Å; A20-C23 PolarHBondContact O-N 2.95Å; A20-C23 VanDerWaalsContact O-N 3.15Å; V21-C23 VanDerWaalsContact C-N 3.29Å; V21-C23 PolarHBondContact O-N 3.22Å; C23-G27 WeakPolarHBondContact O-CA 3.25Å; C23-G27 PolarHBondContact O-N 2.92Å; C23-L45 WeakPolarHBondContact SG-CD1 3.28Å; C23-L45 WeakPolarHBondContact SG-CG 3.44Å; C23-L45 PolarHBondContact SG-O 3Å; C23-L109 HydrophobicContact CB-CD2 4.47Å
24F87Confident85Confident72 Ų7255.8 Ų55.832%0.31632%0.315SS..Hα-helixtrans-62.4-49.7175.4-86.7-75.7000112.3A20 V21 G27 V28 I46 I50A20-F24 WeakPolarHBondContact O-CD2 3.45Å; A20-F24 PolarHBondContact O-N 2.99Å; V21-F24 PolarHBondContact O-N 3.45Å; F24-G27 PolarHBondContact O-N 3.34Å; F24-V28 WeakPolarHBondContact O-CG2 3.44Å; F24-V28 PolarHBondContact O-N 3.4Å; F24-I46 HydrophobicContact CD1-CG2 4.04Å; F24-I46 HydrophobicContact CE1-CG2 3.78Å; F24-I50 HydrophobicContact CE1-CD1 4.39Å; F24-I50 HydrophobicContact CE1-CG1 3.95Å; F24-I50 HydrophobicContact CE2-CG1 4.34Å; F24-I50 HydrophobicContact CZ-CD1 4.29Å; F24-I50 HydrophobicContact CZ-CG1 3.4Å
25S87.6Confident85Confident59 Ų5956.7 Ų56.741%0.41332%0.319SS..Hα-helixtrans-63.7-45.8-177.5620000111.4V21 L22 V28 V29V21-S25 PolarHBondContact O-N 2.96Å; V21-S25 PolarHBondContact O-OG 3.21Å; L22-S25 PolarHBondContact O-OG 2.89Å; L22-S25 VanDerWaalsContact O-OG 3.05Å; S25-V28 PolarHBondContact O-N 3.28Å; S25-V29 VanDerWaalsContact O-CG2 3.31Å; S25-V29 WeakPolarHBondContact O-CG2 3.33Å; S25-V29 PolarHBondContact O-N 2.71Å
26M85.1Confident84.9Confident45 Ų4558.4 Ų58.422%0.22233%0.333CS..Hα-helixtrans-69-33.7177.1-70.1-66.8177.800112.7L22 V29 C30 L45 F104 C105L22-M26 WeakPolarHBondContact O-CB 3.38Å; L22-M26 WeakPolarHBondContact O-CG 3.44Å; L22-M26 PolarHBondContact O-N 3.47Å; M26-V29 PolarHBondContact O-N 2.8Å; M26-C30 PolarHBondContact O-N 2.85Å; M26-C30 PolarHBondContact O-SG 2.94Å; M26-L45 HydrophobicContact CB-CD2 4.09Å; M26-F104 HydrophobicContact CE-CD1 4.33Å; M26-C105 HydrophobicContact CB-CB 3.84Å; M26-C105 HydrophobicContact CG-CB 3.98Å
27G85.4Confident84.9Confident0 Ų063.5 Ų63.50%036%0.357CS..Hα-helixtrans-62.9-43.5174.600000112.3C23 F24 V29 C30 M31C23-G27 WeakPolarHBondContact O-CA 3.25Å; C23-G27 PolarHBondContact O-N 2.92Å; F24-G27 PolarHBondContact O-N 3.34Å; G27-V29 VanDerWaalsContact C-N 3.35Å; G27-C30 PolarHBondContact O-N 3.45Å; G27-M31 WeakPolarHBondContact O-CG 3.49Å; G27-M31 PolarHBondContact O-N 2.93Å; G27-M31 VanDerWaalsContact O-N 3.08Å
28V87.2Confident84.9Confident80 Ų8060.5 Ų60.549%0.48534%0.342SS..Hα-helixtrans-64.4-39.6173.1174.80000111.1F24 S25 C30 M31 I32 I46F24-V28 WeakPolarHBondContact O-CG2 3.44Å; F24-V28 PolarHBondContact O-N 3.4Å; S25-V28 PolarHBondContact O-N 3.28Å; V28-C30 VanDerWaalsContact C-N 3.33Å; V28-C30 PolarHBondContact O-N 3.46Å; V28-M31 WeakPolarHBondContact O-CB 3.36Å; V28-M31 PolarHBondContact O-N 2.73Å; V28-I32 PolarHBondContact O-N 3.22Å; V28-I46 HydrophobicContact CG2-CD1 4.35Å
29V85.3Confident84.7Confident75 Ų7559 Ų5946%0.45534%0.335SS..Hα-helixtrans-63.6-39.4174.8172.50000111.4S25 M26 G27 M31 I32S25-V29 VanDerWaalsContact O-CG2 3.31Å; S25-V29 WeakPolarHBondContact O-CG2 3.33Å; S25-V29 PolarHBondContact O-N 2.71Å; M26-V29 PolarHBondContact O-N 2.8Å; G27-V29 VanDerWaalsContact C-N 3.35Å; V29-M31 VanDerWaalsContact C-N 3.29Å; V29-M31 PolarHBondContact O-N 3.26Å; V29-I32 PolarHBondContact O-N 3.34Å
30C83.1Confident84.7Confident8 Ų861.9 Ų61.95%0.05435%0.349CS..Hα-helixtrans-65.5-31.5176.6-68.80000112.7M26 G27 V28 I32 S33M26-C30 PolarHBondContact O-N 2.85Å; M26-C30 PolarHBondContact O-SG 2.94Å; G27-C30 PolarHBondContact O-N 3.45Å; V28-C30 VanDerWaalsContact C-N 3.33Å; V28-C30 PolarHBondContact O-N 3.46Å; C30-I32 VanDerWaalsContact C-N 3.28Å; C30-I32 PolarHBondContact O-N 2.83Å; C30-S33 WeakPolarHBondContact O-CB 3.46Å; C30-S33 PolarHBondContact O-N 3.1Å
31M84.3Confident84.7Confident62 Ų6262 Ų6231%0.30535%0.35SS..Hα-helixtrans-65-29.1174.9-75.2-73.4151.200113.8G27 V28 V29 S33 I39 G42 L43G27-M31 WeakPolarHBondContact O-CG 3.49Å; G27-M31 PolarHBondContact O-N 2.93Å; G27-M31 VanDerWaalsContact O-N 3.08Å; V28-M31 WeakPolarHBondContact O-CB 3.36Å; V28-M31 PolarHBondContact O-N 2.73Å; V29-M31 VanDerWaalsContact C-N 3.29Å; V29-M31 PolarHBondContact O-N 3.26Å; M31-S33 PolarHBondContact O-N 2.99Å; M31-I39 HydrophobicContact CE-CG2 4.07Å; M31-I39 WeakPolarHBondContact CE-O 3.45Å; M31-I39 HydrophobicContact SD-CB 4.47Å; M31-I39 HydrophobicContact SD-CG2 3.68Å; M31-G42 VanDerWaalsContact CE-C 3.48Å; M31-L43 VanDerWaalsContact CE-CA 3.41Å; M31-L43 HydrophobicContact CE-CB 3.5Å; M31-L43 VanDerWaalsContact CE-CB 3.5Å; M31-L43 HydrophobicContact CE-CD1 4.49Å
32I84.9Confident84.5Confident135 Ų13557.7 Ų57.769%0.69232%0.324SS*.THydrogen-bonded Turntrans-75.3-13.1178.8-61.1166.9000110.8V28 V29 C30V28-I32 PolarHBondContact O-N 3.22Å; V29-I32 PolarHBondContact O-N 3.34Å; C30-I32 VanDerWaalsContact C-N 3.28Å; C30-I32 PolarHBondContact O-N 2.83Å
33S81.2Confident84.5Confident46 Ų4659.2 Ų59.232%0.32233%0.332SS..SBendtrans-71.5139.8179-163.20000112C30 M31 S35C30-S33 WeakPolarHBondContact O-CB 3.46Å; C30-S33 PolarHBondContact O-N 3.1Å; M31-S33 PolarHBondContact O-N 2.99Å; S33-S35 PolarHBondContact O-N 3.3Å
34I76.3Confident84.5Confident172 Ų17263.1 Ų63.188%0.88235%0.349SS*.SBendtrans-70.4-20.5-177.5-59.3168.6000111.5A36I34-A36 PolarHBondContact O-N 3.23Å
35S83.7Confident84.4Confident65 Ų6559.8 Ų59.846%0.45533%0.334SS..  trans-76118.6-178.2-62.80000111.5S33 Q37 C38 I39S33-S35 PolarHBondContact O-N 3.3Å; S35-Q37 PolarHBondContact O-N 3.19Å; S35-Q37 VanDerWaalsContact O-N 3.09Å; S35-C38 WeakPolarHBondContact O-CA 3.43Å; S35-C38 WeakPolarHBondContact O-CB 3.5Å; S35-C38 PolarHBondContact O-N 3.13Å; S35-I39 PolarHBondContact O-N 2.95Å; S35-I39 VanDerWaalsContact O-N 3.1Å
36A83.1Confident84.3Confident64 Ų6458.6 Ų58.653%0.52932%0.323SS..Hα-helixtrans-52.1-35.2176.700000113.5I34 C38 I39 I40I34-A36 PolarHBondContact O-N 3.23Å; A36-C38 PolarHBondContact O-N 3.03Å; A36-I39 PolarHBondContact O-N 3.11Å; A36-I40 WeakPolarHBondContact O-CG1 3.16Å; A36-I40 PolarHBondContact O-N 3.46Å
37Q84Confident84.4Confident108 Ų10860.5 Ų60.551%0.50533%0.334SS..Hα-helixtrans-65-36.7176.3-63.4-71.5-58.300112.7S35 G41 L96S35-Q37 PolarHBondContact O-N 3.19Å; S35-Q37 VanDerWaalsContact O-N 3.09Å; Q37-G41 PolarHBondContact O-N 3.28Å; Q37-L96 VanDerWaalsContact CB-O 3.31Å; Q37-L96 WeakPolarHBondContact CB-O 3.32Å
38C84.5Confident84.3Confident13 Ų1361.3 Ų61.39%0.08834%0.338CS..Hα-helixtrans-76.6-30.9177.6-60.60000112.1S35 A36 G42 C97S35-C38 WeakPolarHBondContact O-CA 3.43Å; S35-C38 WeakPolarHBondContact O-CB 3.5Å; S35-C38 PolarHBondContact O-N 3.13Å; A36-C38 PolarHBondContact O-N 3.03Å; C38-G42 PolarHBondContact O-N 2.68Å; C38-C97 HydrophobicContact CB-CB 3.87Å; C38-C97 WeakPolarHBondContact CB-SG 3.1Å; C38-C97 WeakPolarHBondContact SG-CB 3.37Å; C38-C97 CovalentContact SG-SG 2.06Å; C38-C97 PolarHBondContact SG-SG 3.29Å
39I84.8Confident84Confident70 Ų7057.5 Ų57.536%0.35932%0.315SS..Hα-helixtrans-60.6-55168.6-61.5176.1000108.8M31 S35 A36 G41 G42 L43M31-I39 HydrophobicContact CE-CG2 4.07Å; M31-I39 WeakPolarHBondContact CE-O 3.45Å; M31-I39 HydrophobicContact SD-CB 4.47Å; M31-I39 HydrophobicContact SD-CG2 3.68Å; S35-I39 PolarHBondContact O-N 2.95Å; S35-I39 VanDerWaalsContact O-N 3.1Å; A36-I39 PolarHBondContact O-N 3.11Å; I39-G41 VanDerWaalsContact C-N 3.31Å; I39-G41 PolarHBondContact O-N 2.9Å; I39-G42 PolarHBondContact O-N 2.9Å; I39-G42 VanDerWaalsContact O-N 3.13Å; I39-L43 PolarHBondContact O-N 3.38Å
40I86.2Confident83.9Confident75 Ų7556.9 Ų56.939%0.38531%0.308SS..Hα-helixtrans-58.6-45.5179.5-64.4166.7000110.8A36 G42 L43 F44 L96A36-I40 WeakPolarHBondContact O-CG1 3.16Å; A36-I40 PolarHBondContact O-N 3.46Å; I40-G42 PolarHBondContact O-N 3.14Å; I40-L43 WeakPolarHBondContact O-CB 3.48Å; I40-L43 PolarHBondContact O-N 3.4Å; I40-L43 VanDerWaalsContact O-N 3.16Å; I40-F44 HydrophobicContact CG2-CD2 3.76Å; I40-F44 HydrophobicContact CG2-CE2 3.53Å; I40-F44 WeakPolarHBondContact O-CD2 3.39Å; I40-F44 PolarHBondContact O-N 3.35Å; I40-F44 VanDerWaalsContact O-N 3.1Å; I40-L96 HydrophobicContact CG2-CD1 4.19Å; I40-L96 HydrophobicContact CG2-CD2 4.49Å
41G83.8Confident83.8Confident2 Ų259.5 Ų59.52%0.02132%0.324CS..Hα-helixtrans-58.5-42.5176.100000113.5Q37 I39 L43 F44 L45Q37-G41 PolarHBondContact O-N 3.28Å; I39-G41 VanDerWaalsContact C-N 3.31Å; I39-G41 PolarHBondContact O-N 2.9Å; G41-L43 VanDerWaalsContact C-N 3.32Å; G41-L43 PolarHBondContact O-N 3.24Å; G41-F44 PolarHBondContact O-N 3.4Å; G41-L45 WeakPolarHBondContact O-CB 3.12Å; G41-L45 PolarHBondContact O-N 3.05Å
42G84.1Confident83.6Confident0 Ų057.2 Ų57.20%031%0.313CS..Hα-helixtrans-63.9-35176.100000112.9M31 C38 I39 I40 L45 I46M31-G42 VanDerWaalsContact CE-C 3.48Å; C38-G42 PolarHBondContact O-N 2.68Å; I39-G42 PolarHBondContact O-N 2.9Å; I39-G42 VanDerWaalsContact O-N 3.13Å; I40-G42 PolarHBondContact O-N 3.14Å; G42-L45 WeakPolarHBondContact O-CB 3.37Å; G42-L45 PolarHBondContact O-N 3.24Å; G42-I46 WeakPolarHBondContact O-CG1 3.12Å; G42-I46 PolarHBondContact O-N 3.38Å
43L87.4Confident83.4Confident93 Ų9353.4 Ų53.449%0.48729%0.294SS..Hα-helixtrans-67.5-46.6178-175.360.9000109.8M31 I39 I40 G41 L45 I46 L47M31-L43 VanDerWaalsContact CE-CA 3.41Å; M31-L43 HydrophobicContact CE-CB 3.5Å; M31-L43 VanDerWaalsContact CE-CB 3.5Å; M31-L43 HydrophobicContact CE-CD1 4.49Å; I39-L43 PolarHBondContact O-N 3.38Å; I40-L43 WeakPolarHBondContact O-CB 3.48Å; I40-L43 PolarHBondContact O-N 3.4Å; I40-L43 VanDerWaalsContact O-N 3.16Å; G41-L43 VanDerWaalsContact C-N 3.32Å; G41-L43 PolarHBondContact O-N 3.24Å; L43-L45 PolarHBondContact O-N 2.81Å; L43-I46 PolarHBondContact O-N 3.45Å; L43-L47 HydrophobicContact CG-CD1 4.34Å; L43-L47 WeakPolarHBondContact O-CG 2.76Å; L43-L47 PolarHBondContact O-N 2.88Å
44F86Confident83.2Confident81 Ų8153.6 Ų53.636%0.35529%0.291SS..Hα-helixtrans-58.7-40.1174-80.8-69.7000111.4I40 G41 L47 I48 L92 L96I40-F44 HydrophobicContact CG2-CD2 3.76Å; I40-F44 HydrophobicContact CG2-CE2 3.53Å; I40-F44 WeakPolarHBondContact O-CD2 3.39Å; I40-F44 PolarHBondContact O-N 3.35Å; I40-F44 VanDerWaalsContact O-N 3.1Å; G41-F44 PolarHBondContact O-N 3.4Å; F44-L47 PolarHBondContact O-N 3.02Å; F44-I48 WeakPolarHBondContact O-CB 3.3Å; F44-I48 VanDerWaalsContact O-CD1 3.29Å; F44-I48 WeakPolarHBondContact O-CD1 3.21Å; F44-I48 WeakPolarHBondContact O-CG1 3.45Å; F44-I48 PolarHBondContact O-N 3.47Å; F44-L92 HydrophobicContact CB-CD2 4.27Å; F44-L92 HydrophobicContact CD1-CD2 3.49Å; F44-L92 VanDerWaalsContact CD1-CD2 3.49Å; F44-L92 HydrophobicContact CD2-CD2 3.73Å; F44-L92 HydrophobicContact CE1-CD2 3.62Å; F44-L92 HydrophobicContact CE2-CD2 3.86Å; F44-L92 HydrophobicContact CG-CD2 3.55Å; F44-L92 HydrophobicContact CZ-CD2 3.82Å; F44-L96 HydrophobicContact CD2-CD1 3.89Å; F44-L96 HydrophobicContact CE2-CD1 4.3Å
45L84.2Confident82.9Confident2 Ų248.7 Ų48.71%0.0126%0.263CS..Hα-helixtrans-60.5-48.8177.4-159.760000111.3C23 M26 G41 G42 L43 L47 I48 G49 P93 C105 L109C23-L45 WeakPolarHBondContact SG-CD1 3.28Å; C23-L45 WeakPolarHBondContact SG-CG 3.44Å; C23-L45 PolarHBondContact SG-O 3Å; M26-L45 HydrophobicContact CB-CD2 4.09Å; G41-L45 WeakPolarHBondContact O-CB 3.12Å; G41-L45 PolarHBondContact O-N 3.05Å; G42-L45 WeakPolarHBondContact O-CB 3.37Å; G42-L45 PolarHBondContact O-N 3.24Å; L43-L45 PolarHBondContact O-N 2.81Å; L45-L47 PolarHBondContact O-N 3.39Å; L45-I48 PolarHBondContact O-N 2.82Å; L45-G49 PolarHBondContact O-N 3.24Å; L45-P93 HydrophobicContact CD1-CB 4.39Å; L45-P93 HydrophobicContact CD1-CG 4.4Å; L45-C105 HydrophobicContact CD2-CB 4.15Å; L45-L109 HydrophobicContact CD1-CD1 3.43Å; L45-L109 VanDerWaalsContact CD1-CD1 3.43Å
46I85.6Confident82.3Confident34 Ų3446.9 Ų46.917%0.17425%0.247CC..Hα-helixtrans-59-46.6175.8-67.7168.2000111.1F24 V28 G42 L43 I48 G49 I50F24-I46 HydrophobicContact CD1-CG2 4.04Å; F24-I46 HydrophobicContact CE1-CG2 3.78Å; V28-I46 HydrophobicContact CG2-CD1 4.35Å; G42-I46 WeakPolarHBondContact O-CG1 3.12Å; G42-I46 PolarHBondContact O-N 3.38Å; L43-I46 PolarHBondContact O-N 3.45Å; I46-I48 VanDerWaalsContact C-N 3.34Å; I46-I48 PolarHBondContact O-N 3.06Å; I46-G49 PolarHBondContact O-N 2.97Å; I46-I50 HydrophobicContact CG2-CD1 4.07Å; I46-I50 WeakPolarHBondContact O-CG1 2.76Å; I46-I50 PolarHBondContact O-N 3.05Å
47L87.2Confident81.5Confident85 Ų8544.4 Ų44.445%0.44523%0.227SC..Hα-helixtrans-60.5-43.7178.1-70.5175.2000111.7L43 F44 L45 G49 I50 V51L43-L47 HydrophobicContact CG-CD1 4.34Å; L43-L47 WeakPolarHBondContact O-CG 2.76Å; L43-L47 PolarHBondContact O-N 2.88Å; F44-L47 PolarHBondContact O-N 3.02Å; L45-L47 PolarHBondContact O-N 3.39Å; L47-G49 VanDerWaalsContact C-N 3.35Å; L47-G49 PolarHBondContact O-N 3.49Å; L47-I50 WeakPolarHBondContact O-CB 3.26Å; L47-I50 PolarHBondContact O-N 2.87Å; L47-V51 VanDerWaalsContact O-CG2 3.28Å; L47-V51 WeakPolarHBondContact O-CG2 2.73Å; L47-V51 PolarHBondContact O-N 2.81Å
48I82.7Confident80.4Confident18 Ų1842.2 Ų42.29%0.09222%0.222CC..Hα-helixtrans-63.2-42.9176.4-67.3159.5000110.3F44 L45 I46 I50 V51 V52 A89 P93 L109F44-I48 WeakPolarHBondContact O-CB 3.3Å; F44-I48 VanDerWaalsContact O-CD1 3.29Å; F44-I48 WeakPolarHBondContact O-CD1 3.21Å; F44-I48 WeakPolarHBondContact O-CG1 3.45Å; F44-I48 PolarHBondContact O-N 3.47Å; L45-I48 PolarHBondContact O-N 2.82Å; I46-I48 VanDerWaalsContact C-N 3.34Å; I46-I48 PolarHBondContact O-N 3.06Å; I48-I50 VanDerWaalsContact C-N 3.3Å; I48-I50 PolarHBondContact O-N 3.48Å; I48-V51 PolarHBondContact O-N 3.29Å; I48-V51 VanDerWaalsContact O-N 3.11Å; I48-V52 HydrophobicContact CG2-CG2 4.27Å; I48-V52 WeakPolarHBondContact O-CG2 3.17Å; I48-V52 PolarHBondContact O-N 3.34Å; I48-A89 HydrophobicContact CD1-CB 4.36Å; I48-A89 WeakPolarHBondContact CD1-O 3.46Å; I48-A89 HydrophobicContact CG1-CB 4.24Å; I48-P93 HydrophobicContact CD1-CG 3.8Å; I48-L109 HydrophobicContact CG2-CD2 4.32Å
49G82.2Confident79.2Confident0 Ų048 Ų480%025%0.251CS..Hα-helixtrans-57.4-41.9175.300000112.8L45 I46 L47 V52 I53L45-G49 PolarHBondContact O-N 3.24Å; I46-G49 PolarHBondContact O-N 2.97Å; L47-G49 VanDerWaalsContact C-N 3.35Å; L47-G49 PolarHBondContact O-N 3.49Å; G49-V52 PolarHBondContact O-N 3.44Å; G49-I53 PolarHBondContact O-N 3.04Å
50I83.2Confident77.8Confident62 Ų6248.5 Ų48.532%0.31826%0.26SS..Hα-helixtrans-62.3-44.8173.7-66.4164.2000110.9F24 I46 L47 I48 V52 I53 I54F24-I50 HydrophobicContact CE1-CD1 4.39Å; F24-I50 HydrophobicContact CE1-CG1 3.95Å; F24-I50 HydrophobicContact CE2-CG1 4.34Å; F24-I50 HydrophobicContact CZ-CD1 4.29Å; F24-I50 HydrophobicContact CZ-CG1 3.4Å; I46-I50 HydrophobicContact CG2-CD1 4.07Å; I46-I50 WeakPolarHBondContact O-CG1 2.76Å; I46-I50 PolarHBondContact O-N 3.05Å; L47-I50 WeakPolarHBondContact O-CB 3.26Å; L47-I50 PolarHBondContact O-N 2.87Å; I48-I50 VanDerWaalsContact C-N 3.3Å; I48-I50 PolarHBondContact O-N 3.48Å; I50-V52 VanDerWaalsContact C-N 3.34Å; I50-V52 PolarHBondContact O-N 2.82Å; I50-I53 WeakPolarHBondContact O-CG2 3.17Å; I50-I53 PolarHBondContact O-N 3.11Å; I50-I54 HydrophobicContact CG2-CD1 3.71Å; I50-I54 HydrophobicContact CG2-CG1 4.44Å; I50-I54 WeakPolarHBondContact O-CD1 3.1Å; I50-I54 WeakPolarHBondContact O-CG1 3.2Å; I50-I54 PolarHBondContact O-N 3.32Å
51V80.9Confident76.2Confident63 Ų6345.5 Ų45.538%0.38225%0.246SC..Hα-helixtrans-68.8-34.8-179.2-179.10000111.1L47 I48 F55 Y86L47-V51 VanDerWaalsContact O-CG2 3.28Å; L47-V51 WeakPolarHBondContact O-CG2 2.73Å; L47-V51 PolarHBondContact O-N 2.81Å; I48-V51 PolarHBondContact O-N 3.29Å; I48-V51 VanDerWaalsContact O-N 3.11Å; V51-F55 HydrophobicContact CG1-CD2 4.21Å; V51-F55 HydrophobicContact CG1-CE2 3.8Å; V51-F55 WeakPolarHBondContact O-CD2 3.36Å; V51-F55 PolarHBondContact O-N 2.88Å; V51-Y86 HydrophobicContact CB-CE1 4.34Å; V51-Y86 HydrophobicContact CG1-CE1 3.64Å; V51-Y86 PolarHBondContact O-OH 3.19Å
52V78.8Confident74.9Confident13 Ų1350.5 Ų50.58%0.07928%0.28CS..Hα-helixtrans-66.3-47.1175171.50000110.9A20 I48 G49 I50 I54 F55 E56 Y86A20-V52 HydrophobicContact CB-CG1 4.47Å; I48-V52 HydrophobicContact CG2-CG2 4.27Å; I48-V52 WeakPolarHBondContact O-CG2 3.17Å; I48-V52 PolarHBondContact O-N 3.34Å; G49-V52 PolarHBondContact O-N 3.44Å; I50-V52 VanDerWaalsContact C-N 3.34Å; I50-V52 PolarHBondContact O-N 2.82Å; V52-I54 VanDerWaalsContact C-N 3.32Å; V52-I54 PolarHBondContact O-N 2.96Å; V52-F55 PolarHBondContact O-N 2.82Å; V52-E56 HydrophobicContact CG1-CG 4.37Å; V52-E56 PolarHBondContact O-N 3.39Å; V52-Y86 HydrophobicContact CG2-CD1 4.07Å; V52-Y86 HydrophobicContact CG2-CE1 3.87Å
53I81.1Confident73.7Confident55 Ų5558.3 Ų58.328%0.28232%0.319SS..Hα-helixtrans-65.8-35.2-179-161.2167.4000112.1A20 G49 I50 F55 A57A20-I53 HydrophobicContact CB-CB 4.06Å; G49-I53 PolarHBondContact O-N 3.04Å; I50-I53 WeakPolarHBondContact O-CG2 3.17Å; I50-I53 PolarHBondContact O-N 3.11Å; I53-F55 VanDerWaalsContact C-N 3.3Å; I53-F55 PolarHBondContact O-N 3.13Å; I53-A57 HydrophobicContact CG1-CB 4.44Å; I53-A57 WeakPolarHBondContact O-CA 3.44Å; I53-A57 WeakPolarHBondContact O-CB 3.39Å; I53-A57 PolarHBondContact O-N 3.37Å
54I76.4Confident72.6Confident50 Ų5057.4 Ų57.426%0.25631%0.313SS..Hα-helixtrans-61.4-39.6176.6-72.8167.4000111.4I50 V52I50-I54 HydrophobicContact CG2-CD1 3.71Å; I50-I54 HydrophobicContact CG2-CG1 4.44Å; I50-I54 WeakPolarHBondContact O-CD1 3.1Å; I50-I54 WeakPolarHBondContact O-CG1 3.2Å; I50-I54 PolarHBondContact O-N 3.32Å; V52-I54 VanDerWaalsContact C-N 3.32Å; V52-I54 PolarHBondContact O-N 2.96Å
55F70.2Confident71.6Confident69 Ų6958.9 Ų58.930%0.30333%0.331SS..Hα-helixtrans-84.1-30.7-177-78.4-121.3000113.1V51 V52 I53 I74 K82 Y86V51-F55 HydrophobicContact CG1-CD2 4.21Å; V51-F55 HydrophobicContact CG1-CE2 3.8Å; V51-F55 WeakPolarHBondContact O-CD2 3.36Å; V51-F55 PolarHBondContact O-N 2.88Å; V52-F55 PolarHBondContact O-N 2.82Å; I53-F55 VanDerWaalsContact C-N 3.3Å; I53-F55 PolarHBondContact O-N 3.13Å; F55-I74 HydrophobicContact CD1-CG2 4.05Å; F55-I74 HydrophobicContact CD2-CD1 4.38Å; F55-I74 HydrophobicContact CE1-CD1 4.09Å; F55-I74 HydrophobicContact CE1-CG1 4.26Å; F55-I74 HydrophobicContact CE1-CG2 3.6Å; F55-I74 HydrophobicContact CE2-CD1 3.72Å; F55-I74 HydrophobicContact CZ-CD1 3.56Å; F55-I74 HydrophobicContact CZ-CG1 3.94Å; F55-I74 HydrophobicContact CZ-CG2 4.14Å; F55-K82 HydrophobicContact CD1-CD 4.11Å; F55-K82 HydrophobicContact CE1-CB 4.26Å; F55-K82 HydrophobicContact CE1-CD 3.65Å; F55-K82 HydrophobicContact CE1-CG 3.91Å; F55-Y86 WeakPolarHBondContact CB-OH 3.45Å; F55-Y86 HydrophobicContact CD1-CE2 4.04Å; F55-Y86 VanDerWaalsContact CD1-OH 3.26Å; F55-Y86 WeakPolarHBondContact CD1-OH 3.46Å; F55-Y86 WeakPolarHBondContact CD2-OH 3.44Å; F55-Y86 HydrophobicContact CE1-CE2 4.21Å; F55-Y86 WeakPolarHBondContact CE2-OH 3.24Å; F55-Y86 HydrophobicContact CG-CE2 4.27Å; F55-Y86 AromaticContact CG-CZ 3.92Å; F55-Y86 WeakPolarHBondContact CG-OH 3.45Å
56E71.3Confident70.7Confident27 Ų2766.8 Ų66.813%0.12637%0.368CS..Hα-helixtrans-83.3-28178.1-72.8-78.2-175.200112.7V52 P58 N116V52-E56 HydrophobicContact CG1-CG 4.37Å; V52-E56 PolarHBondContact O-N 3.39Å; E56-P58 VanDerWaalsContact C-CD 3.47Å; E56-P58 WeakPolarHBondContact O-CD 3.26Å; E56-N116 PolarHBondContact OE1-ND2 2.99Å; E56-N116 PolarHBondContact OE1-OD1 3.3Å
57A66.9Low69.6Low12 Ų1267.5 Ų67.510%0.09937%0.372CS..  trans-119.376178.300000111.8I53 I59 C60I53-A57 HydrophobicContact CG1-CB 4.44Å; I53-A57 WeakPolarHBondContact O-CA 3.44Å; I53-A57 WeakPolarHBondContact O-CB 3.39Å; I53-A57 PolarHBondContact O-N 3.37Å; A57-I59 PolarHBondContact O-N 3.49Å; A57-C60 PolarHBondContact O-N 2.99Å
58P61.6Low68.3Low63 Ų6368.5 Ų68.541%0.40937%0.374SS..THydrogen-bonded Turntrans-63.6-8.1167.328.9-35.4000112.3E56 C60 C61 S62E56-P58 VanDerWaalsContact C-CD 3.47Å; E56-P58 WeakPolarHBondContact O-CD 3.26Å; P58-C60 PolarHBondContact O-N 2.94Å; P58-C61 WeakPolarHBondContact O-CA 3.49Å; P58-C61 WeakPolarHBondContact O-CB 3.47Å; P58-C61 PolarHBondContact O-N 3.32Å; P58-S62 PolarHBondContact O-N 3.08Å
59I58.4Low67.6Low133 Ų13375.4 Ų75.468%0.68240%0.403SS*.Hα-helixtrans-57.4-38.5173.6-52.9176.3000110.4A57 C61A57-I59 PolarHBondContact O-N 3.49Å; I59-C61 VanDerWaalsContact C-N 3.31Å; I59-C61 PolarHBondContact O-N 2.85Å
60C54.8Low66.8Low82 Ų8280.9 Ų80.955%0.55443%0.427SS*.Hα-helixtrans-72.6-25.2175.1-61.90000112.6A57 P58A57-C60 PolarHBondContact O-N 2.99Å; P58-C60 PolarHBondContact O-N 2.94Å
61C53.9Low65.8Low12 Ų1279.8 Ų79.88%0.08142%0.422CS..Hα-helixtrans-81.9-22.2-179.1-61.60000113.1P58 I59 M63 I64 L67P58-C61 WeakPolarHBondContact O-CA 3.49Å; P58-C61 WeakPolarHBondContact O-CB 3.47Å; P58-C61 PolarHBondContact O-N 3.32Å; I59-C61 VanDerWaalsContact C-N 3.31Å; I59-C61 PolarHBondContact O-N 2.85Å; C61-M63 VanDerWaalsContact C-N 3.25Å; C61-M63 PolarHBondContact O-N 2.71Å; C61-I64 PolarHBondContact O-N 2.94Å; C61-L67 HydrophobicContact CB-CB 4.24Å
62S55.5Low65.1Low106 Ų10681.8 Ų81.874%0.74143%0.427SS*.Hα-helixtrans-67-26.5176-169.10000112.8P58P58-S62 PolarHBondContact O-N 3.08Å
63M59Low64.5Low165 Ų16587.6 Ų87.681%0.81345%0.452SS*.THydrogen-bonded Turntrans-86.2-14.4-178.5-62.6-168.274.400113.9C61C61-M63 VanDerWaalsContact C-N 3.25Å; C61-M63 PolarHBondContact O-N 2.71Å
64I63.8Low63.6Low74 Ų7485.8 Ų85.838%0.37944%0.443SS..  trans-116.5101.2-176.3-53.4167.2000108.4C61 Q66 L67C61-I64 PolarHBondContact O-N 2.94Å; I64-Q66 HydrophobicContact CG2-CB 4.12Å; I64-Q66 PolarHBondContact O-N 3.5Å; I64-L67 HydrophobicContact CB-CB 4.48Å; I64-L67 HydrophobicContact CB-CD1 3.68Å; I64-L67 HydrophobicContact CD1-CD1 3.9Å; I64-L67 HydrophobicContact CG1-CD1 4.4Å; I64-L67 HydrophobicContact CG2-CD1 3.36Å; I64-L67 PolarHBondContact O-N 3.28Å
65P65.1Low63Low112 Ų11289.5 Ų89.573%0.72746%0.459SS*.Hα-helixtrans-60.2-18.8-176.322.7-32.7000113.2
66Q65.4Low62.7Low168 Ų16895 Ų9579%0.78548%0.483SS*.Hα-helixtrans-73.7-29175.1-58.8-173.5-58.200113.4I64 H68I64-Q66 HydrophobicContact CG2-CB 4.12Å; I64-Q66 PolarHBondContact O-N 3.5Å; Q66-H68 VanDerWaalsContact C-N 3.34Å
67L62.4Low62.1Low49 Ų49100.1 Ų100.126%0.25750%0.501SS..Hα-helixtrans-83.2-12.8177.2-8288.3000112.5C61 I64 K69 F70 N71C61-L67 HydrophobicContact CB-CB 4.24Å; I64-L67 HydrophobicContact CB-CB 4.48Å; I64-L67 HydrophobicContact CB-CD1 3.68Å; I64-L67 HydrophobicContact CD1-CD1 3.9Å; I64-L67 HydrophobicContact CG1-CD1 4.4Å; I64-L67 HydrophobicContact CG2-CD1 3.36Å; I64-L67 PolarHBondContact O-N 3.28Å; L67-K69 PolarHBondContact O-N 3.26Å; L67-F70 CarbonylContact O-C 3.55Å; L67-F70 WeakPolarHBondContact O-CB 3.47Å; L67-F70 PolarHBondContact O-N 3.43Å; L67-F70 VanDerWaalsContact O-N 3.1Å; L67-N71 PolarHBondContact O-N 2.98Å
68H61.7Low61.7Low106 Ų106102.2 Ų102.249%0.49151%0.514SS..Hα-helixtrans-60.4-44.9176.9-166.970.3000111.8Q66 F70 N71 E72Q66-H68 VanDerWaalsContact C-N 3.34Å; H68-F70 VanDerWaalsContact C-N 3.27Å; H68-F70 PolarHBondContact O-N 2.99Å; H68-N71 WeakPolarHBondContact O-CB 3.39Å; H68-N71 PolarHBondContact O-N 2.95Å; H68-N71 VanDerWaalsContact O-N 3.13Å; H68-E72 PolarHBondContact O-N 3.11Å
69K66.3Low61.7Low162 Ų162103 Ų10370%0.70452%0.522SS*.Hα-helixtrans-62.2-35174.1-67.1-174.9179.5179.40112.7L67 F73L67-K69 PolarHBondContact O-N 3.26Å; K69-F73 WeakPolarHBondContact O-CB 3.41Å; K69-F73 PolarHBondContact O-N 2.95Å
70F65.6Low61.9Low115 Ų11599.5 Ų99.550%0.50450%0.504SS..Hα-helixtrans-70.7-38.2176.7-162.1-108.6000110.6L67 H68 F73 I74L67-F70 CarbonylContact O-C 3.55Å; L67-F70 WeakPolarHBondContact O-CB 3.47Å; L67-F70 PolarHBondContact O-N 3.43Å; L67-F70 VanDerWaalsContact O-N 3.1Å; H68-F70 VanDerWaalsContact C-N 3.27Å; H68-F70 PolarHBondContact O-N 2.99Å; F70-F73 PolarHBondContact O-N 3.41Å; F70-I74 HydrophobicContact CD1-CD1 3.35Å; F70-I74 HydrophobicContact CD1-CG1 4.19Å; F70-I74 HydrophobicContact CE1-CD1 3.33Å; F70-I74 HydrophobicContact CE1-CG1 4.15Å; F70-I74 HydrophobicContact CG-CD1 4.3Å; F70-I74 HydrophobicContact CZ-CD1 4.24Å; F70-I74 VanDerWaalsContact O-CB 3.25Å; F70-I74 WeakPolarHBondContact O-CB 3.28Å; F70-I74 WeakPolarHBondContact O-CG1 2.97Å; F70-I74 PolarHBondContact O-N 3.47Å
71N62.7Low62.5Low39 Ų3999.5 Ų99.521%0.20950%0.496CS..Hα-helixtrans-64.3-43.3173.3-169.956.7000111.6L67 H68 F73 I74 E75L67-N71 PolarHBondContact O-N 2.98Å; H68-N71 WeakPolarHBondContact O-CB 3.39Å; H68-N71 PolarHBondContact O-N 2.95Å; H68-N71 VanDerWaalsContact O-N 3.13Å; N71-F73 VanDerWaalsContact C-N 3.35Å; N71-F73 PolarHBondContact O-N 2.84Å; N71-I74 CarbonylContact O-C 3.53Å; N71-I74 WeakPolarHBondContact O-CB 3.43Å; N71-I74 PolarHBondContact O-N 3.39Å; N71-E75 PolarHBondContact ND2-OE1 3.27Å; N71-E75 WeakPolarHBondContact O-CB 3.36Å; N71-E75 VanDerWaalsContact O-CG 3.28Å; N71-E75 WeakPolarHBondContact O-CG 3.42Å; N71-E75 PolarHBondContact O-N 3.38Å
72E66.7Low62.9Low105 Ų105100.6 Ų100.649%0.49150%0.499SS..Hα-helixtrans-62.2-40.9173.8-70.4-177.6126.100112.1H68 I74 E75 K76H68-E72 PolarHBondContact O-N 3.11Å; E72-I74 VanDerWaalsContact C-N 3.34Å; E72-E75 PolarHBondContact O-N 3.38Å; E72-K76 WeakPolarHBondContact O-CB 3.36Å; E72-K76 PolarHBondContact O-N 3.01Å
73F65.5Low63.3Low136 Ų13696.7 Ų96.760%0.59647%0.472SS*.Hα-helixtrans-65.1-40.8176.2-169.5-88.6000111.8K69 F70 N71K69-F73 WeakPolarHBondContact O-CB 3.41Å; K69-F73 PolarHBondContact O-N 2.95Å; F70-F73 PolarHBondContact O-N 3.41Å; N71-F73 VanDerWaalsContact C-N 3.35Å; N71-F73 PolarHBondContact O-N 2.84Å
74I62.7Low63.8Low17 Ų1793.1 Ų93.19%0.08746%0.455CS..Hα-helixtrans-62-55.2172.9-79.6172.5000108.6F55 F70 N71 E72 K76 R77 K82F55-I74 HydrophobicContact CD1-CG2 4.05Å; F55-I74 HydrophobicContact CD2-CD1 4.38Å; F55-I74 HydrophobicContact CE1-CD1 4.09Å; F55-I74 HydrophobicContact CE1-CG1 4.26Å; F55-I74 HydrophobicContact CE1-CG2 3.6Å; F55-I74 HydrophobicContact CE2-CD1 3.72Å; F55-I74 HydrophobicContact CZ-CD1 3.56Å; F55-I74 HydrophobicContact CZ-CG1 3.94Å; F55-I74 HydrophobicContact CZ-CG2 4.14Å; F70-I74 HydrophobicContact CD1-CD1 3.35Å; F70-I74 HydrophobicContact CD1-CG1 4.19Å; F70-I74 HydrophobicContact CE1-CD1 3.33Å; F70-I74 HydrophobicContact CE1-CG1 4.15Å; F70-I74 HydrophobicContact CG-CD1 4.3Å; F70-I74 HydrophobicContact CZ-CD1 4.24Å; F70-I74 VanDerWaalsContact O-CB 3.25Å; F70-I74 WeakPolarHBondContact O-CB 3.28Å; F70-I74 WeakPolarHBondContact O-CG1 2.97Å; F70-I74 PolarHBondContact O-N 3.47Å; N71-I74 CarbonylContact O-C 3.53Å; N71-I74 WeakPolarHBondContact O-CB 3.43Å; N71-I74 PolarHBondContact O-N 3.39Å; E72-I74 VanDerWaalsContact C-N 3.34Å; I74-K76 PolarHBondContact O-N 2.88Å; I74-R77 WeakPolarHBondContact O-CA 3.33Å; I74-R77 WeakPolarHBondContact O-CB 3.35Å; I74-R77 PolarHBondContact O-N 3.21Å; I74-K82 VanDerWaalsContact C-CE 3.47Å; I74-K82 HydrophobicContact CG2-CD 4.22Å; I74-K82 WeakPolarHBondContact O-CE 3.33Å; I74-K82 PolarHBondContact O-NZ 3.02Å
75E63Low64Low128 Ų12896.8 Ų96.860%0.59847%0.468SS*.Hα-helixtrans-56.6-34.6-179-77175.7-178.500113.1N71 E72 R77N71-E75 PolarHBondContact ND2-OE1 3.27Å; N71-E75 WeakPolarHBondContact O-CB 3.36Å; N71-E75 VanDerWaalsContact O-CG 3.28Å; N71-E75 WeakPolarHBondContact O-CG 3.42Å; N71-E75 PolarHBondContact O-N 3.38Å; E72-E75 PolarHBondContact O-N 3.38Å; E75-R77 PolarHBondContact O-N 3.18Å
76K64.2Low64.1Low185 Ų18593.3 Ų93.380%0.80444%0.441SS*.Hα-helixtrans-65.6-22.9174.4-166.2171.9-179.1178.40113.5E72 I74E72-K76 WeakPolarHBondContact O-CB 3.36Å; E72-K76 PolarHBondContact O-N 3.01Å; I74-K76 PolarHBondContact O-N 2.88Å
77R58.3Low64.1Low134 Ų13486.7 Ų86.751%0.50642%0.418SS..SBendtrans-85.6132.2175.5-75.9-80.5-177.9-178.6-0.2110.6I74 E75 S79 E81 K82I74-R77 WeakPolarHBondContact O-CA 3.33Å; I74-R77 WeakPolarHBondContact O-CB 3.35Å; I74-R77 PolarHBondContact O-N 3.21Å; E75-R77 PolarHBondContact O-N 3.18Å; R77-S79 PolarHBondContact O-N 2.93Å; R77-E81 WeakPolarHBondContact CD-OE2 3.4Å; R77-E81 IonicContact CZ-OE2 3.88Å; R77-E81 IonicContact NE-OE2 3.96Å; R77-E81 IonicContact NH1-OE1 3.88Å; R77-E81 IonicContact NH1-OE2 2.99Å; R77-E81 PolarHBondContact NH1-OE2 3.42Å; R77-K82 VanDerWaalsContact O-CE 3.3Å; R77-K82 WeakPolarHBondContact O-CE 3.2Å
78S58.4Low64.3Low55 Ų5589.1 Ų89.139%0.38543%0.43SS..  trans-49.2126.2179-179.90000110.5I80 E81 K82S78-I80 PolarHBondContact O-N 3.38Å; S78-E81 WeakPolarHBondContact O-CB 3.42Å; S78-E81 PolarHBondContact O-N 3.2Å; S78-K82 PolarHBondContact O-N 3.33Å
79S61.8Low64.6Low80 Ų8085.7 Ų85.756%0.55942%0.42SS*.Hα-helixtrans-52.9-23.6178.6-54.30000113.2R77 S83R77-S79 PolarHBondContact O-N 2.93Å; S79-S83 PolarHBondContact O-N 3.34Å
80I63.3Low64.6Low59 Ų5978.5 Ų78.530%0.30339%0.391SS..Hα-helixtrans-68-48.6173.1-48.5172.3000111.6S78 K82 S83 I84S78-I80 PolarHBondContact O-N 3.38Å; I80-K82 PolarHBondContact O-N 2.94Å; I80-S83 PolarHBondContact O-N 2.86Å; I80-S83 VanDerWaalsContact O-N 3.08Å; I80-S83 PolarHBondContact O-OG 3.41Å; I80-I84 HydrophobicContact CG2-CD1 3.86Å; I80-I84 HydrophobicContact CG2-CG1 4.41Å; I80-I84 WeakPolarHBondContact O-CG1 3.49Å; I80-I84 PolarHBondContact O-N 2.87Å
81E66.7Low64.9Low83 Ų8378.6 Ų78.639%0.38840%0.395SS..Hα-helixtrans-58.7-41-178.8-70.7-177.3167.200110R77 S78 S83 I84 F85R77-E81 WeakPolarHBondContact CD-OE2 3.4Å; R77-E81 IonicContact CZ-OE2 3.88Å; R77-E81 IonicContact NE-OE2 3.96Å; R77-E81 IonicContact NH1-OE1 3.88Å; R77-E81 IonicContact NH1-OE2 2.99Å; R77-E81 PolarHBondContact NH1-OE2 3.42Å; S78-E81 WeakPolarHBondContact O-CB 3.42Å; S78-E81 PolarHBondContact O-N 3.2Å; E81-S83 PolarHBondContact O-N 2.81Å; E81-I84 PolarHBondContact O-N 2.93Å; E81-F85 WeakPolarHBondContact O-CD2 3.3Å; E81-F85 PolarHBondContact O-N 3.36Å
82K63.4Low65.3Low34 Ų3480.5 Ų80.515%0.14841%0.405CS..Hα-helixtrans-57.7-51.2174.7-62170-177.41740111.2F55 I74 R77 S78 I80 I84 F85 Y86F55-K82 HydrophobicContact CD1-CD 4.11Å; F55-K82 HydrophobicContact CE1-CB 4.26Å; F55-K82 HydrophobicContact CE1-CD 3.65Å; F55-K82 HydrophobicContact CE1-CG 3.91Å; I74-K82 VanDerWaalsContact C-CE 3.47Å; I74-K82 HydrophobicContact CG2-CD 4.22Å; I74-K82 WeakPolarHBondContact O-CE 3.33Å; I74-K82 PolarHBondContact O-NZ 3.02Å; R77-K82 VanDerWaalsContact O-CE 3.3Å; R77-K82 WeakPolarHBondContact O-CE 3.2Å; S78-K82 PolarHBondContact O-N 3.33Å; I80-K82 PolarHBondContact O-N 2.94Å; K82-I84 VanDerWaalsContact C-N 3.29Å; K82-I84 PolarHBondContact O-N 3.2Å; K82-F85 WeakPolarHBondContact O-CB 3.34Å; K82-F85 PolarHBondContact O-N 3.48Å; K82-F85 VanDerWaalsContact O-N 3.15Å; K82-Y86 HydrophobicContact CB-CE2 4.33Å; K82-Y86 WeakPolarHBondContact O-CD2 3.44Å; K82-Y86 PolarHBondContact O-N 3.48Å
83S63.7Low65.4Low24 Ų2475.6 Ų75.617%0.16838%0.382CS..Hα-helixtrans-61.7-35.6-17974.20000113.2S79 I80 E81 Y86 G87S79-S83 PolarHBondContact O-N 3.34Å; I80-S83 PolarHBondContact O-N 2.86Å; I80-S83 VanDerWaalsContact O-N 3.08Å; I80-S83 PolarHBondContact O-OG 3.41Å; E81-S83 PolarHBondContact O-N 2.81Å; S83-Y86 PolarHBondContact O-N 3.31Å; S83-G87 PolarHBondContact O-N 2.92Å
84I69.2Low65.6Low91 Ų9171.1 Ų71.147%0.46736%0.364SS..Hα-helixtrans-68.9-43.6175.5-66.1168.9000110.2I80 E81 K82 Y86 G87 I88I80-I84 HydrophobicContact CG2-CD1 3.86Å; I80-I84 HydrophobicContact CG2-CG1 4.41Å; I80-I84 WeakPolarHBondContact O-CG1 3.49Å; I80-I84 PolarHBondContact O-N 2.87Å; E81-I84 PolarHBondContact O-N 2.93Å; K82-I84 VanDerWaalsContact C-N 3.29Å; K82-I84 PolarHBondContact O-N 3.2Å; I84-Y86 VanDerWaalsContact C-N 3.29Å; I84-Y86 PolarHBondContact O-N 2.88Å; I84-G87 PolarHBondContact O-N 3.49Å; I84-G87 VanDerWaalsContact O-N 3.14Å; I84-I88 HydrophobicContact CG2-CD1 3.74Å; I84-I88 HydrophobicContact CG2-CG1 4.36Å; I84-I88 WeakPolarHBondContact O-CG1 3.36Å; I84-I88 PolarHBondContact O-N 3.43Å
85F68.1Low66.1Low151 Ų15174.2 Ų74.266%0.66239%0.387SS*.Hα-helixtrans-59.2-40.4174.6-97.2-81.3000111.9E81 K82 I88 A89E81-F85 WeakPolarHBondContact O-CD2 3.3Å; E81-F85 PolarHBondContact O-N 3.36Å; K82-F85 WeakPolarHBondContact O-CB 3.34Å; K82-F85 PolarHBondContact O-N 3.48Å; K82-F85 VanDerWaalsContact O-N 3.15Å; F85-I88 PolarHBondContact O-N 2.88Å; F85-A89 WeakPolarHBondContact O-CB 3.29Å; F85-A89 PolarHBondContact O-N 3.45Å
86Y66.4Low66.5Low39 Ų3969.9 Ų69.915%0.15337%0.367CS..Hα-helixtrans-62.6-44.6172.3-75.4-66.7000113V51 V52 F55 K82 S83 I84 I88 A89 A90V51-Y86 HydrophobicContact CB-CE1 4.34Å; V51-Y86 HydrophobicContact CG1-CE1 3.64Å; V51-Y86 PolarHBondContact O-OH 3.19Å; V52-Y86 HydrophobicContact CG2-CD1 4.07Å; V52-Y86 HydrophobicContact CG2-CE1 3.87Å; F55-Y86 WeakPolarHBondContact CB-OH 3.45Å; F55-Y86 HydrophobicContact CD1-CE2 4.04Å; F55-Y86 VanDerWaalsContact CD1-OH 3.26Å; F55-Y86 WeakPolarHBondContact CD1-OH 3.46Å; F55-Y86 WeakPolarHBondContact CD2-OH 3.44Å; F55-Y86 HydrophobicContact CE1-CE2 4.21Å; F55-Y86 WeakPolarHBondContact CE2-OH 3.24Å; F55-Y86 HydrophobicContact CG-CE2 4.27Å; F55-Y86 AromaticContact CG-CZ 3.92Å; F55-Y86 WeakPolarHBondContact CG-OH 3.45Å; K82-Y86 HydrophobicContact CB-CE2 4.33Å; K82-Y86 WeakPolarHBondContact O-CD2 3.44Å; K82-Y86 PolarHBondContact O-N 3.48Å; S83-Y86 PolarHBondContact O-N 3.31Å; I84-Y86 VanDerWaalsContact C-N 3.29Å; I84-Y86 PolarHBondContact O-N 2.88Å; Y86-I88 VanDerWaalsContact C-N 3.33Å; Y86-I88 PolarHBondContact O-N 3.44Å; Y86-A89 PolarHBondContact O-N 2.97Å; Y86-A90 WeakPolarHBondContact O-CB 3.47Å; Y86-A90 PolarHBondContact O-N 3.4Å
87G65.4Low66.9Low28 Ų2861.7 Ų61.729%0.28933%0.334SS..Hα-helixtrans-59.9-44.1177.800000112.1S83 I84 A90 I91S83-G87 PolarHBondContact O-N 2.92Å; I84-G87 PolarHBondContact O-N 3.49Å; I84-G87 VanDerWaalsContact O-N 3.14Å; G87-A90 PolarHBondContact O-N 3.47Å; G87-I91 WeakPolarHBondContact O-CG1 3.21Å; G87-I91 PolarHBondContact O-N 2.89Å
88I67.7Low67.6Low101 Ų10163.3 Ų63.352%0.51834%0.344SS..Hα-helixtrans-69.6-41.9177.2-63.3167.3000110.7I84 F85 Y86 A90 I91 L92I84-I88 HydrophobicContact CG2-CD1 3.74Å; I84-I88 HydrophobicContact CG2-CG1 4.36Å; I84-I88 WeakPolarHBondContact O-CG1 3.36Å; I84-I88 PolarHBondContact O-N 3.43Å; F85-I88 PolarHBondContact O-N 2.88Å; Y86-I88 VanDerWaalsContact C-N 3.33Å; Y86-I88 PolarHBondContact O-N 3.44Å; I88-A90 PolarHBondContact O-N 3.15Å; I88-I91 WeakPolarHBondContact O-CB 3.15Å; I88-I91 PolarHBondContact O-N 3.14Å; I88-L92 PolarHBondContact O-N 2.83Å
89A67.6Low68.2Low34 Ų3461.8 Ų61.828%0.28134%0.337SS..Hα-helixtrans-61.4-31.2177.400000111.9I48 F85 Y86 I91 P93I48-A89 HydrophobicContact CD1-CB 4.36Å; I48-A89 WeakPolarHBondContact CD1-O 3.46Å; I48-A89 HydrophobicContact CG1-CB 4.24Å; F85-A89 WeakPolarHBondContact O-CB 3.29Å; F85-A89 PolarHBondContact O-N 3.45Å; Y86-A89 PolarHBondContact O-N 2.97Å; A89-I91 VanDerWaalsContact C-N 3.34Å; A89-P93 WeakPolarHBondContact O-CD 3.34Å
90A66.9Low68.7Low11 Ų1165 Ų659%0.09135%0.347CS..Hα-helixtrans-71.4-25.4175.300000113.7Y86 G87 I88 P93Y86-A90 WeakPolarHBondContact O-CB 3.47Å; Y86-A90 PolarHBondContact O-N 3.4Å; G87-A90 PolarHBondContact O-N 3.47Å; I88-A90 PolarHBondContact O-N 3.15Å; A90-P93 WeakPolarHBondContact O-CD 3.29Å; A90-P93 WeakPolarHBondContact O-CG 3.34Å
91I71.1Confident69.2Low116 Ų11664.8 Ų64.860%0.59535%0.35SS*.Hα-helixtrans-74.6-33.4178.4-63.5166.2000110.8G87 I88 A89 M94 S95G87-I91 WeakPolarHBondContact O-CG1 3.21Å; G87-I91 PolarHBondContact O-N 2.89Å; I88-I91 WeakPolarHBondContact O-CB 3.15Å; I88-I91 PolarHBondContact O-N 3.14Å; A89-I91 VanDerWaalsContact C-N 3.34Å; I91-M94 PolarHBondContact O-N 3.39Å; I91-S95 PolarHBondContact O-N 3.38Å
92L72.3Confident69.6Low79 Ų7961.1 Ų61.141%0.41433%0.334SS..Hα-helixtrans-61.2-46.8-176.6-161.8121.5000114.6F44 I88 M94 S95 L96F44-L92 HydrophobicContact CB-CD2 4.27Å; F44-L92 HydrophobicContact CD1-CD2 3.49Å; F44-L92 VanDerWaalsContact CD1-CD2 3.49Å; F44-L92 HydrophobicContact CD2-CD2 3.73Å; F44-L92 HydrophobicContact CE1-CD2 3.62Å; F44-L92 HydrophobicContact CE2-CD2 3.86Å; F44-L92 HydrophobicContact CG-CD2 3.55Å; F44-L92 HydrophobicContact CZ-CD2 3.82Å; I88-L92 PolarHBondContact O-N 2.83Å; L92-M94 VanDerWaalsContact C-N 3.29Å; L92-M94 PolarHBondContact O-N 3.34Å; L92-S95 PolarHBondContact O-N 3.28Å; L92-S95 PolarHBondContact O-OG 2.95Å; L92-L96 HydrophobicContact CD2-CD1 4.26Å; L92-L96 WeakPolarHBondContact O-CD1 3.13Å
93P67.2Low70.3Confident2 Ų262.6 Ų62.61%0.01334%0.343CS..Hα-helixtrans-69.8-26.4176.626.8-34.3000112.7L45 I48 A89 A90 L96L45-P93 HydrophobicContact CD1-CB 4.39Å; L45-P93 HydrophobicContact CD1-CG 4.4Å; I48-P93 HydrophobicContact CD1-CG 3.8Å; A89-P93 WeakPolarHBondContact O-CD 3.34Å; A90-P93 WeakPolarHBondContact O-CD 3.29Å; A90-P93 WeakPolarHBondContact O-CG 3.34Å; P93-L96 PolarHBondContact O-N 2.85Å
94M70.3Confident71.1Confident43 Ų4367.5 Ų67.521%0.21236%0.362CS..Hα-helixtrans-68.9-31.7178.7-73-67.7-123.100112.8I91 L92 L103I91-M94 PolarHBondContact O-N 3.39Å; L92-M94 VanDerWaalsContact C-N 3.29Å; L92-M94 PolarHBondContact O-N 3.34Å; M94-L103 HydrophobicContact CE-CD2 4.14Å; M94-L103 HydrophobicContact SD-CD2 4.17Å
95S72.9Confident71.4Confident81 Ų8163.3 Ų63.357%0.56634%0.34SS*.Hα-helixtrans-78.7-21.6179.463.60000113.7I91 L92I91-S95 PolarHBondContact O-N 3.38Å; L92-S95 PolarHBondContact O-N 3.28Å; L92-S95 PolarHBondContact O-OG 2.95Å
96L71.5Confident71.7Confident37 Ų3756.3 Ų56.319%0.19431%0.311CS..Hα-helixtrans-83.9-33.9-174.2-73.5160.6000113.2Q37 I40 F44 L92 P93Q37-L96 VanDerWaalsContact CB-O 3.31Å; Q37-L96 WeakPolarHBondContact CB-O 3.32Å; I40-L96 HydrophobicContact CG2-CD1 4.19Å; I40-L96 HydrophobicContact CG2-CD2 4.49Å; F44-L96 HydrophobicContact CD2-CD1 3.89Å; F44-L96 HydrophobicContact CE2-CD1 4.3Å; L92-L96 HydrophobicContact CD2-CD1 4.26Å; L92-L96 WeakPolarHBondContact O-CD1 3.13Å; P93-L96 PolarHBondContact O-N 2.85Å
97C74Confident72.3Confident14 Ų1460.1 Ų60.110%0.09533%0.333CS..  trans-145.5104.4-177.9-175.80000111C38 G99 T102C38-C97 HydrophobicContact CB-CB 3.87Å; C38-C97 WeakPolarHBondContact CB-SG 3.1Å; C38-C97 WeakPolarHBondContact SG-CB 3.37Å; C38-C97 CovalentContact SG-SG 2.06Å; C38-C97 PolarHBondContact SG-SG 3.29Å; C97-G99 PolarHBondContact O-N 3.44Å; C97-T102 WeakPolarHBondContact O-CB 3.41Å; C97-T102 WeakPolarHBondContact O-CG2 3.3Å; C97-T102 PolarHBondContact O-OG1 3.24Å
98F71.1Confident73Confident167 Ų16760 Ų6073%0.73233%0.329SS*.  trans-77.354.6171.9-79-85.6000111.7L103F98-L103 HydrophobicContact CD1-CD2 4.28Å
99G71Confident73.5Confident23 Ų2355.3 Ų55.324%0.23731%0.305CS..  trans-88.1145.8168.900000110.5C97 S101 T102 L103C97-G99 PolarHBondContact O-N 3.44Å; G99-S101 PolarHBondContact O-N 3.31Å; G99-T102 WeakPolarHBondContact O-CB 3.49Å; G99-T102 PolarHBondContact O-N 3.42Å; G99-L103 WeakPolarHBondContact O-CG 3.39Å; G99-L103 PolarHBondContact O-N 2.96Å
100I73.9Confident74Confident148 Ų14855.9 Ų55.976%0.75931%0.31SS*.Hα-helixtrans-55.8-38.5174.7-60.1168.4000110.5L103 F104I100-L103 PolarHBondContact O-N 2.92Å; I100-F104 WeakPolarHBondContact O-CB 3.43Å; I100-F104 PolarHBondContact O-N 3.3Å
101S73Confident74.7Confident54 Ų5457.2 Ų57.238%0.37833%0.325SS..Hα-helixtrans-62.7-42.8175.9-47.40000112.4G99 C105G99-S101 PolarHBondContact O-N 3.31Å; S101-C105 WeakPolarHBondContact O-CB 3.44Å; S101-C105 PolarHBondContact O-N 3.2Å
102T74.9Confident75.1Confident7 Ų752.2 Ų52.24%0.04330%0.3CS..Hα-helixtrans-68.5-40.7176.8-410000111.3C97 G99 C105 G106C97-T102 WeakPolarHBondContact O-CB 3.41Å; C97-T102 WeakPolarHBondContact O-CG2 3.3Å; C97-T102 PolarHBondContact O-OG1 3.24Å; G99-T102 WeakPolarHBondContact O-CB 3.49Å; G99-T102 PolarHBondContact O-N 3.42Å; T102-C105 PolarHBondContact O-N 2.88Å; T102-G106 PolarHBondContact O-N 3.26Å
103L78Confident75.2Confident65 Ų6549.7 Ų49.734%0.3429%0.289SS..Hα-helixtrans-61.5-45.8176.2-71.5174000111.1M94 F98 G99 I100 C105 G106 L107M94-L103 HydrophobicContact CE-CD2 4.14Å; M94-L103 HydrophobicContact SD-CD2 4.17Å; F98-L103 HydrophobicContact CD1-CD2 4.28Å; G99-L103 WeakPolarHBondContact O-CG 3.39Å; G99-L103 PolarHBondContact O-N 2.96Å; I100-L103 PolarHBondContact O-N 2.92Å; L103-C105 VanDerWaalsContact C-N 3.35Å; L103-C105 PolarHBondContact O-N 3Å; L103-G106 PolarHBondContact O-N 2.83Å; L103-L107 WeakPolarHBondContact O-CB 3.43Å; L103-L107 VanDerWaalsContact O-CG 3.23Å; L103-L107 WeakPolarHBondContact O-CG 3.19Å; L103-L107 PolarHBondContact O-N 2.78Å
104F80.6Confident75.8Confident127 Ų12752.4 Ų52.456%0.55731%0.311SS*.Hα-helixtrans-61.7-44.5176.9-172.1-98.4000111.5M26 I100 L107 A108M26-F104 HydrophobicContact CE-CD1 4.33Å; I100-F104 WeakPolarHBondContact O-CB 3.43Å; I100-F104 PolarHBondContact O-N 3.3Å; F104-L107 PolarHBondContact O-N 3.45Å; F104-A108 WeakPolarHBondContact O-CB 3.42Å; F104-A108 PolarHBondContact O-N 3.41Å
105C74.8Confident76.4Confident2 Ų253.9 Ų53.91%0.01432%0.317CS..Hα-helixtrans-66.2-42.5177.9-166.10000112.5M26 L45 S101 T102 L103 L107 A108 L109M26-C105 HydrophobicContact CB-CB 3.84Å; M26-C105 HydrophobicContact CG-CB 3.98Å; L45-C105 HydrophobicContact CD2-CB 4.15Å; S101-C105 WeakPolarHBondContact O-CB 3.44Å; S101-C105 PolarHBondContact O-N 3.2Å; T102-C105 PolarHBondContact O-N 2.88Å; L103-C105 VanDerWaalsContact C-N 3.35Å; L103-C105 PolarHBondContact O-N 3Å; C105-L107 VanDerWaalsContact C-N 3.32Å; C105-L107 PolarHBondContact O-N 2.95Å; C105-A108 PolarHBondContact O-N 3.16Å; C105-L109 WeakPolarHBondContact O-CB 3.34Å; C105-L109 WeakPolarHBondContact O-CG 3.34Å; C105-L109 PolarHBondContact O-N 3.46Å
106G75Confident76.5Confident4 Ų451.6 Ų51.64%0.04130%0.298CS..Hα-helixtrans-67.4-33.6177.800000112.2T102 L103 A110T102-G106 PolarHBondContact O-N 3.26Å; L103-G106 PolarHBondContact O-N 2.83Å; G106-A110 WeakPolarHBondContact O-CB 3.38Å; G106-A110 PolarHBondContact O-N 2.99Å
107L79.6Confident76.7Confident119 Ų11953.1 Ų53.162%0.62331%0.309SS*.Hα-helixtrans-67.6-40.7170.4-74.1171.4000111.9L103 F104 C105 A110 G111L103-L107 WeakPolarHBondContact O-CB 3.43Å; L103-L107 VanDerWaalsContact O-CG 3.23Å; L103-L107 WeakPolarHBondContact O-CG 3.19Å; L103-L107 PolarHBondContact O-N 2.78Å; F104-L107 PolarHBondContact O-N 3.45Å; C105-L107 VanDerWaalsContact C-N 3.32Å; C105-L107 PolarHBondContact O-N 2.95Å; L107-A110 PolarHBondContact O-N 3.32Å; L107-G111 PolarHBondContact O-N 3.39Å
108A79.1Confident77Confident26 Ų2659 Ų5922%0.21533%0.329CS..Hα-helixtrans-63.6-42.2174.900000111.7F104 C105 C112F104-A108 WeakPolarHBondContact O-CB 3.42Å; F104-A108 PolarHBondContact O-N 3.41Å; C105-A108 PolarHBondContact O-N 3.16Å; A108-C112 WeakPolarHBondContact O-CB 3.37Å; A108-C112 PolarHBondContact O-N 3.48Å
109L78.8Confident77.2Confident2 Ų254.3 Ų54.31%0.0131%0.307CS..Hα-helixtrans-64.7-47.2173.6-78.1165.9000112T19 C23 L45 I48 C105 G111 C112 C113T19-L109 HydrophobicContact CG2-CD2 3.47Å; T19-L109 VanDerWaalsContact CG2-CD2 3.47Å; T19-L109 HydrophobicContact CG2-CG 4.04Å; C23-L109 HydrophobicContact CB-CD2 4.47Å; L45-L109 HydrophobicContact CD1-CD1 3.43Å; L45-L109 VanDerWaalsContact CD1-CD1 3.43Å; I48-L109 HydrophobicContact CG2-CD2 4.32Å; C105-L109 WeakPolarHBondContact O-CB 3.34Å; C105-L109 WeakPolarHBondContact O-CG 3.34Å; C105-L109 PolarHBondContact O-N 3.46Å; L109-G111 VanDerWaalsContact C-N 3.32Å; L109-G111 PolarHBondContact O-N 3.38Å; L109-C112 PolarHBondContact O-N 2.78Å; L109-C113 WeakPolarHBondContact O-CB 3.48Å; L109-C113 PolarHBondContact O-N 3.37Å; L109-C113 PolarHBondContact O-SG 2.84Å
110A78.2Confident77.4Confident46 Ų4654.8 Ų54.838%0.3830%0.304SS..Hα-helixtrans-62.6-40.717800000111.3G106 L107 C113 A114G106-A110 WeakPolarHBondContact O-CB 3.38Å; G106-A110 PolarHBondContact O-N 2.99Å; L107-A110 PolarHBondContact O-N 3.32Å; A110-C113 PolarHBondContact O-N 2.94Å; A110-A114 WeakPolarHBondContact O-CB 3.22Å; A110-A114 PolarHBondContact O-N 3.15Å
111G81.1Confident77.5Confident40 Ų4054.1 Ų54.141%0.41230%0.295SS..Hα-helixtrans-63.2-43.1174.600000112.2L107 L109 A114 F115L107-G111 PolarHBondContact O-N 3.39Å; L109-G111 VanDerWaalsContact C-N 3.32Å; L109-G111 PolarHBondContact O-N 3.38Å; G111-A114 PolarHBondContact O-N 3.46Å; G111-F115 VanDerWaalsContact O-CB 3.31Å; G111-F115 WeakPolarHBondContact O-CB 3.31Å; G111-F115 PolarHBondContact O-N 2.88Å
112C79.4Confident77.7Confident11 Ų1154.4 Ų54.47%0.07429%0.29CS..Hα-helixtrans-64.5-43.3174.4-171.70000112.1T19 A108 L109 F115 N116T19-C112 HydrophobicContact CG2-CB 3.76Å; T19-C112 VanDerWaalsContact OG1-CB 3.26Å; T19-C112 WeakPolarHBondContact OG1-CB 3.25Å; T19-C112 PolarHBondContact OG1-SG 3.04Å; A108-C112 WeakPolarHBondContact O-CB 3.37Å; A108-C112 PolarHBondContact O-N 3.48Å; L109-C112 PolarHBondContact O-N 2.78Å; C112-F115 PolarHBondContact O-N 3Å; C112-N116 WeakPolarHBondContact O-CB 3.34Å; C112-N116 PolarHBondContact O-N 3.05Å; C112-N116 PolarHBondContact O-ND2 3.34Å
113C75.8Confident77.5Confident25 Ų2560.1 Ų60.117%0.16932%0.316CS..Hα-helixtrans-62-44.8174.4-67.80000111.3L109 A110 F115 N116 V117L109-C113 WeakPolarHBondContact O-CB 3.48Å; L109-C113 PolarHBondContact O-N 3.37Å; L109-C113 PolarHBondContact O-SG 2.84Å; A110-C113 PolarHBondContact O-N 2.94Å; C113-F115 VanDerWaalsContact C-N 3.34Å; C113-F115 PolarHBondContact O-N 3.35Å; C113-N116 WeakPolarHBondContact O-CB 3.48Å; C113-N116 PolarHBondContact O-N 3.47Å; C113-V117 VanDerWaalsContact O-CG2 3.3Å; C113-V117 WeakPolarHBondContact O-CG2 3.47Å; C113-V117 PolarHBondContact O-N 2.96Å
114A79.9Confident77.1Confident59 Ų5963.5 Ų63.549%0.48832%0.324SS..Hα-helixtrans-63.5-40.2177.400000111.5A110 G111 V117 W118A110-A114 WeakPolarHBondContact O-CB 3.22Å; A110-A114 PolarHBondContact O-N 3.15Å; G111-A114 PolarHBondContact O-N 3.46Å; A114-V117 PolarHBondContact O-N 3.34Å; A114-W118 WeakPolarHBondContact O-CB 3.26Å; A114-W118 PolarHBondContact O-N 3.35Å
115F81Confident76.7Confident75 Ų7565.8 Ų65.833%0.32933%0.329SS..Hα-helixtrans-65.2-41.7174.9-174-104.2000111.8L12 G111 C112 C113 W118 R119L12-F115 HydrophobicContact CB-CE1 4.44Å; L12-F115 HydrophobicContact CD1-CD1 3.45Å; L12-F115 VanDerWaalsContact CD1-CD1 3.45Å; L12-F115 HydrophobicContact CD1-CE1 3.71Å; G111-F115 VanDerWaalsContact O-CB 3.31Å; G111-F115 WeakPolarHBondContact O-CB 3.31Å; G111-F115 PolarHBondContact O-N 2.88Å; C112-F115 PolarHBondContact O-N 3Å; C113-F115 VanDerWaalsContact C-N 3.34Å; C113-F115 PolarHBondContact O-N 3.35Å; F115-W118 HydrophobicContact CD2-CE3 4.18Å; F115-W118 HydrophobicContact CE2-CE3 4.05Å; F115-W118 HydrophobicContact CE2-CZ3 4.02Å; F115-W118 PolarHBondContact O-N 2.98Å; F115-R119 PolarHBondContact O-N 3.16Å
116N76Confident76.2Confident32 Ų3270 Ų7017%0.17135%0.351CS..Hα-helixtrans-57.5-49.7172.4-103.8-63.4000112.2L12 E56 C112 C113 R119 I120L12-N116 HydrophobicContact CD1-CB 4.38Å; L12-N116 WeakPolarHBondContact CD1-OD1 2.9Å; L12-N116 WeakPolarHBondContact CD2-OD1 3.43Å; E56-N116 PolarHBondContact OE1-ND2 2.99Å; E56-N116 PolarHBondContact OE1-OD1 3.3Å; C112-N116 WeakPolarHBondContact O-CB 3.34Å; C112-N116 PolarHBondContact O-N 3.05Å; C112-N116 PolarHBondContact O-ND2 3.34Å; C113-N116 WeakPolarHBondContact O-CB 3.48Å; C113-N116 PolarHBondContact O-N 3.47Å; N116-R119 WeakPolarHBondContact O-CB 3.2Å; N116-R119 PolarHBondContact O-N 3.02Å; N116-I120 WeakPolarHBondContact O-CG1 3.47Å; N116-I120 PolarHBondContact O-N 3.42Å
117V76.3Confident75.5Confident69 Ų6971.8 Ų71.842%0.41837%0.37SS..Hα-helixtrans-65.8-41.5177.7172.60000111.1C113 A114 R119 I120 F121C113-V117 VanDerWaalsContact O-CG2 3.3Å; C113-V117 WeakPolarHBondContact O-CG2 3.47Å; C113-V117 PolarHBondContact O-N 2.96Å; A114-V117 PolarHBondContact O-N 3.34Å; V117-R119 VanDerWaalsContact C-N 3.31Å; V117-R119 PolarHBondContact O-N 3.45Å; V117-I120 PolarHBondContact O-N 3.1Å; V117-F121 WeakPolarHBondContact O-CB 3.38Å; V117-F121 PolarHBondContact O-N 2.84Å
118W79Confident74.3Confident137 Ų13774 Ų7452%0.51938%0.377SS..Hα-helixtrans-61.2-40.2177.2178.777000111.6A114 F115 F121 K122A114-W118 WeakPolarHBondContact O-CB 3.26Å; A114-W118 PolarHBondContact O-N 3.35Å; F115-W118 HydrophobicContact CD2-CE3 4.18Å; F115-W118 HydrophobicContact CE2-CE3 4.05Å; F115-W118 HydrophobicContact CE2-CZ3 4.02Å; F115-W118 PolarHBondContact O-N 2.98Å; W118-F121 PolarHBondContact O-N 3.38Å; W118-K122 HydrophobicContact CH2-CD 4.12Å; W118-K122 HydrophobicContact CZ2-CD 4.27Å; W118-K122 VanDerWaalsContact O-CB 3.3Å; W118-K122 WeakPolarHBondContact O-CB 3.11Å; W118-K122 PolarHBondContact O-N 3.27Å
119R76.9Confident73.1Confident70 Ų7076.6 Ų76.626%0.26440%0.399SS..Hα-helixtrans-59.8-49.9173-176.1-171.270.1142.6-11.9111.5I8 F115 N116 V117 F121 K122 E123I8-R119 HydrophobicContact CG2-CG 3.75Å; F115-R119 PolarHBondContact O-N 3.16Å; N116-R119 WeakPolarHBondContact O-CB 3.2Å; N116-R119 PolarHBondContact O-N 3.02Å; V117-R119 VanDerWaalsContact C-N 3.31Å; V117-R119 PolarHBondContact O-N 3.45Å; R119-F121 VanDerWaalsContact C-N 3.26Å; R119-F121 PolarHBondContact O-N 3.05Å; R119-K122 PolarHBondContact O-N 3.4Å; R119-E123 WeakPolarHBondContact O-CB 3.36Å; R119-E123 PolarHBondContact O-N 3.28Å
120I73.7Confident71.6Confident33 Ų3381.3 Ų81.317%0.16942%0.424CS..Hα-helixtrans-60.1-40.9178.7-65.4167000110.3N116 V117 E123 R124N116-I120 WeakPolarHBondContact O-CG1 3.47Å; N116-I120 PolarHBondContact O-N 3.42Å; V117-I120 PolarHBondContact O-N 3.1Å; I120-E123 PolarHBondContact O-N 2.81Å; I120-R124 WeakPolarHBondContact O-CG 3.45Å; I120-R124 PolarHBondContact O-N 3.08Å
121F77.3Confident69.9Low134 Ų13484.8 Ų84.859%0.58844%0.443SS*.Hα-helixtrans-68.2-39.6178.8-163.8-94.8000112V117 W118 R119 R124 R125V117-F121 WeakPolarHBondContact O-CB 3.38Å; V117-F121 PolarHBondContact O-N 2.84Å; W118-F121 PolarHBondContact O-N 3.38Å; R119-F121 VanDerWaalsContact C-N 3.26Å; R119-F121 PolarHBondContact O-N 3.05Å; F121-R124 PolarHBondContact O-N 3.26Å; F121-R125 WeakPolarHBondContact O-CB 3.45Å; F121-R125 PolarHBondContact O-N 3.49Å
122K76.3Confident68.2Low59 Ų5989.1 Ų89.126%0.25746%0.461SS..Hα-helixtrans-63.7-45.6175-175.1-180176.6-175.40111.1W118 R119 R124 R125 D126W118-K122 HydrophobicContact CH2-CD 4.12Å; W118-K122 HydrophobicContact CZ2-CD 4.27Å; W118-K122 VanDerWaalsContact O-CB 3.3Å; W118-K122 WeakPolarHBondContact O-CB 3.11Å; W118-K122 PolarHBondContact O-N 3.27Å; R119-K122 PolarHBondContact O-N 3.4Å; K122-R124 VanDerWaalsContact C-N 3.3Å; K122-R124 PolarHBondContact O-N 2.94Å; K122-R125 WeakPolarHBondContact O-CB 3.41Å; K122-R125 PolarHBondContact O-N 3.43Å; K122-D126 WeakPolarHBondContact O-CB 3.46Å; K122-D126 VanDerWaalsContact O-CG 3.28Å; K122-D126 PolarHBondContact O-N 2.79Å
123E70.4Confident66.4Low127 Ų12791 Ų9159%0.59348%0.482SS*.Hα-helixtrans-60.4-39.9176.4-173.1176.1-177.200111.9R119 I120 D126 G127R119-E123 WeakPolarHBondContact O-CB 3.36Å; R119-E123 PolarHBondContact O-N 3.28Å; I120-E123 PolarHBondContact O-N 2.81Å; E123-D126 PolarHBondContact O-N 3.03Å; E123-G127 PolarHBondContact O-N 3.26Å
124R70.3Confident64.9Low136 Ų13697.2 Ų97.251%0.51352%0.519SS..Hα-helixtrans-65.6-38.6172.3-73.1-176.7-169.8-157.9-5113.1I120 F121 K122 Q128I120-R124 WeakPolarHBondContact O-CG 3.45Å; I120-R124 PolarHBondContact O-N 3.08Å; F121-R124 PolarHBondContact O-N 3.26Å; K122-R124 VanDerWaalsContact C-N 3.3Å; K122-R124 PolarHBondContact O-N 2.94Å; R124-Q128 WeakPolarHBondContact O-CB 3.4Å; R124-Q128 PolarHBondContact O-N 3.42Å
125R71.2Confident62.8Low175 Ų17598.1 Ų98.166%0.6653%0.534SS*.Hα-helixtrans-67.8-40.8178.6-165.4175.2-173.9170.51.9111F121 K122 Q128 A129F121-R125 WeakPolarHBondContact O-CB 3.45Å; F121-R125 PolarHBondContact O-N 3.49Å; K122-R125 WeakPolarHBondContact O-CB 3.41Å; K122-R125 PolarHBondContact O-N 3.43Å; R125-Q128 PolarHBondContact O-N 3.46Å; R125-A129 WeakPolarHBondContact O-CB 3.22Å; R125-A129 PolarHBondContact O-N 3.43Å
126D65.2Low60.8Low90 Ų9099.3 Ų99.348%0.48155%0.552SS.*Hα-helixtrans-71.3-38.2177.3-65.5-18000110.8K122 E123 A129 N130K122-D126 WeakPolarHBondContact O-CB 3.46Å; K122-D126 VanDerWaalsContact O-CG 3.28Å; K122-D126 PolarHBondContact O-N 2.79Å; E123-D126 PolarHBondContact O-N 3.03Å; D126-A129 PolarHBondContact O-N 3.41Å; D126-N130 PolarHBondContact O-N 3.17Å; D126-N130 VanDerWaalsContact O-N 3.11Å
127G59.7Low58.9Low42 Ų42106.1 Ų106.143%0.43359%0.588SS.*Hα-helixtrans-70.1-29.617300000114E123 N130E123-G127 PolarHBondContact O-N 3.26Å; G127-N130 CarbonylContact O-C 3.58Å
128Q55.6Low57Low166 Ų166111 Ų11178%0.77661%0.606SS**Hα-helixtrans-76.7-26.3171.2-169.1174.73.800111.8R124 R125R124-Q128 WeakPolarHBondContact O-CB 3.4Å; R124-Q128 PolarHBondContact O-N 3.42Å; R125-Q128 PolarHBondContact O-N 3.46Å
129A52.5Low54.8Low81 Ų81112.9 Ų112.967%0.66962%0.62SS**Hα-helixtrans-80-16.2174.700000113.5R125 D126R125-A129 WeakPolarHBondContact O-CB 3.22Å; R125-A129 PolarHBondContact O-N 3.43Å; D126-A129 PolarHBondContact O-N 3.41Å
130N47.4Very low52.7Low100 Ų100115.9 Ų115.954%0.53565%0.647SS.*  trans-133.787.4177.6-161.7-21.6000111.3D126 G127 V132D126-N130 PolarHBondContact O-N 3.17Å; D126-N130 VanDerWaalsContact O-N 3.11Å; G127-N130 CarbonylContact O-C 3.58Å; N130-V132 PolarHBondContact O-N 2.85Å; N130-V132 PolarHBondContact OD1-N 2.78Å
131P43.9Very low50.8Low120 Ų120122.8 Ų122.878%0.77968%0.678SS**SBendtrans-70.517.3-179.828.2-34000114.9
132V45.5Very low48.8Very low130 Ų130128 Ų12879%0.78870%0.696SS**SBendtrans-121.732.2-171.8-161.40000113N130N130-V132 PolarHBondContact O-N 2.85Å; N130-V132 PolarHBondContact OD1-N 2.78Å
133G41.1Very low47Very low51 Ų51129.7 Ų129.753%0.52672%0.72SS.*  trans-137.4-9.9-175.600000117.9G135G133-G135 VanDerWaalsContact C-N 3.34Å; G133-G135 PolarHBondContact O-N 3.39Å
134V43.4Very low45.3Very low155 Ų155129 Ų12994%0.93974%0.737SS**THydrogen-bonded Turntrans-86.777.6179.6-176.40000108.6
135G37.5Very low43.6Very low78 Ų78125.3 Ų125.380%0.80474%0.741SS**THydrogen-bonded Turntrans-167.1-1.5179.900000117.2G133G133-G135 VanDerWaalsContact C-N 3.34Å; G133-G135 PolarHBondContact O-N 3.39Å
136S37.9Very low42Very low100 Ų100126.2 Ų126.270%0.69975%0.753SS**  trans-151.158.7-170.758.20000114
137D36.6Very low40.8Very low176 Ų176127.5 Ų127.594%0.94177%0.769SS**  trans-116.262.5155.9-76.5-48.2000108.7
138H35.4Very low39.9Very low172 Ų172134.4 Ų134.480%0.79679%0.79SS**SBendtrans-129.7126.6157.9-122.3-89.3000105.7
139H33.3Very low39.2Very low175 Ų175131.8 Ų131.881%0.8179%0.787SS**  trans72.9102.8-176.6-77.8-102.7000116.6
140T32.3Very low38.7Very low134 Ų134133.7 Ų133.782%0.82280%0.796SS**  -169.1107.5114-62.20000108.2
141Q33.7Very low38.1Very low177 Ų177135.8 Ų135.883%0.82781%0.812SS**  trans174.776141.8-98.5-166.5-72.900109.1
142Y35.6Very low37.9Very low244 Ų244139.5 Ų139.596%0.95782%0.816SS**SBendtrans-150.2120.8143.6-78.5-67.1000109.1
143A39.4Very low37.4Very low94 Ų94142.6 Ų142.678%0.77782%0.822SS**  trans9.3133.4163.200000120.4G145A143-G145 PolarHBondContact O-N 3.5Å
144A34.2Very low37.1Very low113 Ų113142.8 Ų142.893%0.93482%0.824SS**SBendtrans-54.1128.9160.100000111.4
145G34.2Very low36.5Very low59 Ų59138.7 Ų138.761%0.60881%0.813SS**  trans128.4121.117000000112.5A143A143-G145 PolarHBondContact O-N 3.5Å
146E38.2Very low36.5Very low193 Ų193146.1 Ų146.190%0.90282%0.819SS**  trans92.194.3153.8-55.6173.299.900118.3
147S40.4Very low36.4Very low118 Ų118145.9 Ų145.983%0.82583%0.832SS**  trans53.8109140.252.70000122.3
148Q40.1Very low36.8Very low187 Ų187140.7 Ų140.787%0.87482%0.82SS**  trans-57.7176.6149.1-98-177.7-35.700112.7
149P40.4Very low37.3Very low111 Ų111141.5 Ų141.572%0.72182%0.824SS**  cis-142176.3-24.134.8-14.3000114.4
150S41.7Very low38.3Very low121 Ų121136.4 Ų136.485%0.84681%0.806SS**  trans-166.3130.5135.628.10000112.3
151T35.3Very low39.6Very low143 Ų143131.5 Ų131.588%0.87778%0.783SS**  trans-60.3132.4170.934.10000112.8
152F39.8Very low41.3Very low198 Ų198130.7 Ų130.787%0.86878%0.776SS**  trans-132.1104.2155.8-170.9-102000110.5
153Q34.6Very low42.4Very low196 Ų196128.2 Ų128.292%0.91677%0.766SS**  trans-89.5110.1170.8178.9176-40.200107.1
154G34.5Very low43.4Very low54 Ų54128 Ų12856%0.55775%0.751SS**  trans-141.6101.7179.300000110.9
155G30.6Very low44.7Very low69 Ų69126.5 Ų126.571%0.71173%0.725SS**  trans-81.2141174.100000112.6
156Y38.1Very low46.2Very low235 Ų235128.1 Ų128.192%0.92272%0.719SS**  trans-136.6120.1148.7-77.8-81.4000107.2G158Y156-G158 PolarHBondContact O-N 2.86Å; Y156-G158 VanDerWaalsContact O-N 3.1Å
157G35.6Very low47.6Very low95 Ų95124.1 Ų124.198%0.97970%0.703SS**  trans-62.3108.1179.300000111.1
158G45.4Very low48.7Very low66 Ų66124.3 Ų124.368%0.6869%0.691SS**  trans-109.8128.8164.900000108.6Y156Y156-G158 PolarHBondContact O-N 2.86Å; Y156-G158 VanDerWaalsContact O-N 3.1Å
159Q46.1Very low49.9Very low190 Ų190122.5 Ų122.589%0.88868%0.68SS**PPolyproline II helixtrans-53.1125.5177.5-161.4173.3-10.700109.8G161Q159-G161 PolarHBondContact O-N 3.25Å; Q159-G161 VanDerWaalsContact O-N 3.16Å
160P53.8Low51.1Low67 Ų67120.3 Ų120.344%0.43567%0.671SS.*PPolyproline II helixtrans-59.9123.1-177.222.3-31.3000109.1D164 Q165P160-D164 HydrophobicContact CB-CB 4.19Å; P160-Q165 HydrophobicContact CB-CG 4.41Å; P160-Q165 PolarHBondContact O-NE2 3.32Å
161G60.5Low52Low32 Ų32117.1 Ų117.133%0.3365%0.652SS.*PPolyproline II helixtrans-62.9160-178.300000110.7Q159 R163 D164 Q165Q159-G161 PolarHBondContact O-N 3.25Å; Q159-G161 VanDerWaalsContact O-N 3.16Å; G161-R163 PolarHBondContact O-N 3.48Å; G161-D164 PolarHBondContact N-OD2 3.05Å; G161-D164 WeakPolarHBondContact O-CB 3.13Å; G161-D164 PolarHBondContact O-N 3.41Å; G161-Q165 PolarHBondContact O-N 2.93Å
162F69.5Low53.2Low159 Ų159114.6 Ų114.670%0.69764%0.636SS**Hα-helixtrans-52.4-32.7176.5179.6-108.5000112.6L166F162-L166 HydrophobicContact CD1-CD1 3.55Å; F162-L166 HydrophobicContact CE1-CD1 3.21Å; F162-L166 HydrophobicContact CE1-CG 4.24Å; F162-L166 HydrophobicContact CE2-CD1 4.36Å; F162-L166 HydrophobicContact CG-CD1 4.28Å; F162-L166 HydrophobicContact CZ-CD1 3.66Å; F162-L166 HydrophobicContact CZ-CG 4.26Å; F162-L166 WeakPolarHBondContact O-CB 3.46Å; F162-L166 WeakPolarHBondContact O-CG 3.19Å; F162-L166 PolarHBondContact O-N 3.31Å
163R58.9Low54.1Low193 Ų193107.3 Ų107.373%0.72862%0.617SS**Hα-helixtrans-67.6-40.6174.9-62.1-172.673.9-166.10.4112.3G161 L166 I167G161-R163 PolarHBondContact O-N 3.48Å; R163-L166 WeakPolarHBondContact O-CB 3.31Å; R163-L166 PolarHBondContact O-N 2.9Å; R163-I167 WeakPolarHBondContact O-CD1 3.48Å; R163-I167 VanDerWaalsContact O-CG1 3.23Å; R163-I167 WeakPolarHBondContact O-CG1 3.48Å; R163-I167 PolarHBondContact O-N 3.5Å
164D59.6Low55.3Low89 Ų89100.8 Ų100.848%0.47660%0.597SS.*Hα-helixtrans-69.3-40.4179.4-51.8-41.7000110.4P160 G161 L166 I167 E168P160-D164 HydrophobicContact CB-CB 4.19Å; G161-D164 PolarHBondContact N-OD2 3.05Å; G161-D164 WeakPolarHBondContact O-CB 3.13Å; G161-D164 PolarHBondContact O-N 3.41Å; D164-L166 VanDerWaalsContact C-N 3.34Å; D164-L166 PolarHBondContact O-N 3.02Å; D164-I167 PolarHBondContact O-N 3.39Å; D164-E168 WeakPolarHBondContact O-CB 3.36Å; D164-E168 PolarHBondContact O-N 3.02Å
165Q62.4Low56.4Low82 Ų82102.6 Ų102.638%0.38360%0.596SS.*Hα-helixtrans-64.9-36.3172.8-68.6-174.231.800112.8P160 G161 K169P160-Q165 HydrophobicContact CB-CG 4.41Å; P160-Q165 PolarHBondContact O-NE2 3.32Å; G161-Q165 PolarHBondContact O-N 2.93Å; Q165-K169 VanDerWaalsContact O-CB 3.3Å; Q165-K169 WeakPolarHBondContact O-CB 3.38Å; Q165-K169 VanDerWaalsContact O-CG 3.24Å; Q165-K169 WeakPolarHBondContact O-CG 2.8Å; Q165-K169 PolarHBondContact O-N 2.79Å
166L65.5Low57.5Low92 Ų92106.4 Ų106.448%0.48259%0.594SS.*Hα-helixtrans-65.8-41.1174-90.4161000111.5F162 R163 D164 A170F162-L166 HydrophobicContact CD1-CD1 3.55Å; F162-L166 HydrophobicContact CE1-CD1 3.21Å; F162-L166 HydrophobicContact CE1-CG 4.24Å; F162-L166 HydrophobicContact CE2-CD1 4.36Å; F162-L166 HydrophobicContact CG-CD1 4.28Å; F162-L166 HydrophobicContact CZ-CD1 3.66Å; F162-L166 HydrophobicContact CZ-CG 4.26Å; F162-L166 WeakPolarHBondContact O-CB 3.46Å; F162-L166 WeakPolarHBondContact O-CG 3.19Å; F162-L166 PolarHBondContact O-N 3.31Å; R163-L166 WeakPolarHBondContact O-CB 3.31Å; R163-L166 PolarHBondContact O-N 2.9Å; D164-L166 VanDerWaalsContact C-N 3.34Å; D164-L166 PolarHBondContact O-N 3.02Å; L166-A170 VanDerWaalsContact O-CB 3.23Å; L166-A170 WeakPolarHBondContact O-CB 3.5Å; L166-A170 PolarHBondContact O-N 3.13Å
167I66.9Low58.1Low110 Ų11097.4 Ų97.456%0.56457%0.572SS**Hα-helixtrans-65.7-44.5175.7-67.7163000110.1R163 D164 A170 A171R163-I167 WeakPolarHBondContact O-CD1 3.48Å; R163-I167 VanDerWaalsContact O-CG1 3.23Å; R163-I167 WeakPolarHBondContact O-CG1 3.48Å; R163-I167 PolarHBondContact O-N 3.5Å; D164-I167 PolarHBondContact O-N 3.39Å; I167-A170 PolarHBondContact O-N 3.25Å; I167-A171 WeakPolarHBondContact O-CB 3.34Å; I167-A171 PolarHBondContact O-N 3.41Å
168E63.6Low58.9Low122 Ų12298.9 Ų98.957%0.5756%0.562SS**Hα-helixtrans-62.5-45.9177.6-169.3-174.6147.600111.6D164 A170 A171 V172D164-E168 WeakPolarHBondContact O-CB 3.36Å; D164-E168 PolarHBondContact O-N 3.02Å; E168-A170 VanDerWaalsContact C-N 3.35Å; E168-A170 PolarHBondContact O-N 3.3Å; E168-A171 WeakPolarHBondContact O-CB 3.49Å; E168-A171 PolarHBondContact O-N 3.5Å; E168-V172 WeakPolarHBondContact O-CG2 3.31Å; E168-V172 PolarHBondContact O-N 3.32Å
169K64.7Low59.4Low149 Ų149102.2 Ų102.265%0.64856%0.563SS**Hα-helixtrans-65.9-36.2176-73.4-179-178.4-171.20112.5Q165 G173Q165-K169 VanDerWaalsContact O-CB 3.3Å; Q165-K169 WeakPolarHBondContact O-CB 3.38Å; Q165-K169 VanDerWaalsContact O-CG 3.24Å; Q165-K169 WeakPolarHBondContact O-CG 2.8Å; Q165-K169 PolarHBondContact O-N 2.79Å; K169-G173 PolarHBondContact O-N 3.44Å
170A65.7Low59.6Low64 Ų6497.6 Ų97.653%0.52955%0.551SS.*Hα-helixtrans-65.8-40.2173.200000111.4L166 I167 E168 G173 A174L166-A170 VanDerWaalsContact O-CB 3.23Å; L166-A170 WeakPolarHBondContact O-CB 3.5Å; L166-A170 PolarHBondContact O-N 3.13Å; I167-A170 PolarHBondContact O-N 3.25Å; E168-A170 VanDerWaalsContact C-N 3.35Å; E168-A170 PolarHBondContact O-N 3.3Å; A170-G173 PolarHBondContact O-N 3.39Å; A170-A174 WeakPolarHBondContact O-CB 3.23Å; A170-A174 PolarHBondContact O-N 3.1Å
171A60.2Low58.9Low54 Ų5496.9 Ų96.945%0.44656%0.556SS.*Hα-helixtrans-64.6-47.4176.600000111.9I167 E168 G173 A174 V175I167-A171 WeakPolarHBondContact O-CB 3.34Å; I167-A171 PolarHBondContact O-N 3.41Å; E168-A171 WeakPolarHBondContact O-CB 3.49Å; E168-A171 PolarHBondContact O-N 3.5Å; A171-G173 VanDerWaalsContact C-N 3.34Å; A171-G173 PolarHBondContact O-N 3.24Å; A171-A174 PolarHBondContact O-N 3.19Å; A171-V175 WeakPolarHBondContact O-CG2 3.14Å; A171-V175 PolarHBondContact O-N 3.04Å
172V62.4Low57.9Low91 Ų91102 Ų10255%0.55258%0.584SS**Hα-helixtrans-64.6-39.5176.9175.70000111.4E168 V175 K176E168-V172 WeakPolarHBondContact O-CG2 3.31Å; E168-V172 PolarHBondContact O-N 3.32Å; V172-V175 PolarHBondContact O-N 2.92Å; V172-K176 WeakPolarHBondContact O-CB 3.49Å; V172-K176 PolarHBondContact O-N 3.39Å
173G57.7Low56.6Low45 Ų4597.5 Ų97.546%0.46458%0.582SS.*Hα-helixtrans-62.7-40175.200000113.1K169 A170 A171 G177K169-G173 PolarHBondContact O-N 3.44Å; A170-G173 PolarHBondContact O-N 3.39Å; A171-G173 VanDerWaalsContact C-N 3.34Å; A171-G173 PolarHBondContact O-N 3.24Å; G173-G177 PolarHBondContact O-N 3.43Å
174A59.9Low55.8Low59 Ų5994.4 Ų94.449%0.48859%0.59SS.*Hα-helixtrans-66.7-44.6176.600000112.3A170 A171 K176 G177 V178A170-A174 WeakPolarHBondContact O-CB 3.23Å; A170-A174 PolarHBondContact O-N 3.1Å; A171-A174 PolarHBondContact O-N 3.19Å; A174-K176 PolarHBondContact O-N 3.09Å; A174-G177 PolarHBondContact O-N 2.9Å; A174-V178 WeakPolarHBondContact O-CG2 3.13Å; A174-V178 PolarHBondContact O-N 3.23Å
175V58.2Low54.7Low91 Ų9194.2 Ų94.255%0.55261%0.609SS**Hα-helixtrans-61.9-44.1176.7175.10000110.8A171 V172 G177 V178 I179A171-V175 WeakPolarHBondContact O-CG2 3.14Å; A171-V175 PolarHBondContact O-N 3.04Å; V172-V175 PolarHBondContact O-N 2.92Å; V175-G177 VanDerWaalsContact C-N 3.34Å; V175-G177 PolarHBondContact O-N 2.84Å; V175-V178 PolarHBondContact O-N 3.37Å; V175-I179 HydrophobicContact CG1-CD1 3.88Å; V175-I179 WeakPolarHBondContact O-CD1 3.38Å; V175-I179 VanDerWaalsContact O-CG1 3.28Å; V175-I179 WeakPolarHBondContact O-CG1 3.19Å; V175-I179 PolarHBondContact O-N 2.86Å
176K53.4Low53.6Low150 Ų15093.3 Ų93.365%0.65262%0.622SS**Hα-helixtrans-68.4-34.5179-157175.9-175.7-176.20112.3V172 A174 I179 S180V172-K176 WeakPolarHBondContact O-CB 3.49Å; V172-K176 PolarHBondContact O-N 3.39Å; A174-K176 PolarHBondContact O-N 3.09Å; K176-I179 PolarHBondContact O-N 3.47Å; K176-S180 VanDerWaalsContact O-CB 3.31Å; K176-S180 WeakPolarHBondContact O-CB 3.5Å; K176-S180 PolarHBondContact O-N 2.06Å; K176-S180 PolarHBondContact O-OG 2.88Å
177G49.7Very low52.6Low46 Ų4699.8 Ų99.847%0.47464%0.641SS.*Hα-helixtrans-67.6-37.8175.500000113.6G173 A174 V175 I179 S180 G181G173-G177 PolarHBondContact O-N 3.43Å; A174-G177 PolarHBondContact O-N 2.9Å; V175-G177 VanDerWaalsContact C-N 3.34Å; V175-G177 PolarHBondContact O-N 2.84Å; G177-I179 VanDerWaalsContact C-N 3.34Å; G177-S180 PolarHBondContact O-N 3.32Å; G177-G181 PolarHBondContact O-N 3.24Å
178V53.5Low51.5Low126 Ų126101 Ų10176%0.76466%0.657SS**Hα-helixtrans-67.1-34.1175167.40000111.9A174 V175 S180A174-V178 WeakPolarHBondContact O-CG2 3.13Å; A174-V178 PolarHBondContact O-N 3.23Å; V175-V178 PolarHBondContact O-N 3.37Å; V178-S180 VanDerWaalsContact C-N 3.31Å
179I54.4Low50.7Low136 Ų13698.8 Ų98.870%0.69767%0.666SS**Hα-helixtrans-79.6-15.9178.6-58.2163.7000111.8V175 K176 G177V175-I179 HydrophobicContact CG1-CD1 3.88Å; V175-I179 WeakPolarHBondContact O-CD1 3.38Å; V175-I179 VanDerWaalsContact O-CG1 3.28Å; V175-I179 WeakPolarHBondContact O-CG1 3.19Å; V175-I179 PolarHBondContact O-N 2.86Å; K176-I179 PolarHBondContact O-N 3.47Å; G177-I179 VanDerWaalsContact C-N 3.34Å
180S51.1Low49.6Very low92 Ų9298.7 Ų98.764%0.64368%0.678SS**SBendtrans-115.68.6-170.4-47.40000115.3K176 G177 V178K176-S180 VanDerWaalsContact O-CB 3.31Å; K176-S180 WeakPolarHBondContact O-CB 3.5Å; K176-S180 PolarHBondContact O-N 2.06Å; K176-S180 PolarHBondContact O-OG 2.88Å; G177-S180 PolarHBondContact O-N 3.32Å; V178-S180 VanDerWaalsContact C-N 3.31Å
181G40Very low48.6Very low52 Ų5299.4 Ų99.454%0.53669%0.692SS.*SBendtrans-97.4144.2-177.200000114.4G177G177-G181 PolarHBondContact O-N 3.24Å
182P38.8Very low47.8Very low141 Ų141107.7 Ų107.792%0.91671%0.713SS**  trans-86.2122.7-158.133.6-32.4000113
183G42.5Very low46.9Very low64 Ų64109.1 Ų109.166%0.6673%0.727SS**  trans-164.9106.2177.500000114.1
184S42Very low46.4Very low127 Ų127110.3 Ų110.389%0.88874%0.74SS**  trans60.3120.9147.157.60000120.1
185G36.7Very low45.8Very low85 Ų85118.3 Ų118.388%0.87678%0.783SS**  trans-64.5173-17900000117.3
186G39Very low45.2Very low64 Ų64119.7 Ų119.766%0.6679%0.794SS**  trans162.393.1167.800000114.6
187Y43.4Very low44.8Very low227 Ų227118.1 Ų118.189%0.8980%0.802SS**  trans83.5113156.9-54.6-79.2000120.6
188P44.5Very low44.5Very low137 Ų137122.1 Ų122.189%0.8982%0.82SS**  trans-86.9113.815433.1-22.2000108.3
189G47.7Very low44Very low74 Ų74121.9 Ų121.976%0.76382%0.823SS**  trans-13097.5-176.200000111.4
190T41.7Very low43.3Very low148 Ų148121 Ų12191%0.90883%0.831SS**  trans-55.5132.9166.8470000111.5
191G44.2Very low42.8Very low79 Ų79122.9 Ų122.981%0.81484%0.844SS**  trans-151.797.6172.400000111.2
192Y42Very low43Very low228 Ų228128 Ų12889%0.89487%0.866SS**  trans-73.9156.7170.8-104.1-97.9000111.9
193S43.5Very low43.3Very low121 Ų121127 Ų12785%0.84686%0.862SS**  trans83.6122151.6-74.80000121.2
194G48.8Very low43.4Very low70 Ų70132.3 Ų132.372%0.72288%0.879SS**  13285.6123.900000116.7
195T47.3Very low43.5Very low227 Ų227132.7 Ų132.7100%1.39388%0.878SS**  175.80113.828.10000110.2

Retrieved 195 of 195 residues in 401.9 ms (Link to these results)

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